USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= 0.0565 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0.126 USER MOD Set 1.3: A 36 THR OG1 : rot 92:sc= 0.0566 USER MOD Set 2.1: A 15 TYR OH : rot -144:sc= -0.242 USER MOD Set 2.2: A 21 LYS NZ :NH3+ -106:sc= -0.617 (180deg=-2.02!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -77:sc= -1.19 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -0.514 (180deg=-1.46!) USER MOD Single : A 19 THR OG1 : rot -137:sc= -0.481 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.6) 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 (180deg=-0.132) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.105 USER MOD Single : A 68 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 8.859 5.111 -3.914 1.00 44.01 N ATOM 88 CA LYS A 6 10.036 5.154 -4.774 1.00 51.34 C ATOM 89 C LYS A 6 9.893 6.239 -5.837 1.00 43.20 C ATOM 90 O LYS A 6 10.887 6.767 -6.335 1.00 22.40 O ATOM 91 CB LYS A 6 10.254 3.795 -5.444 1.00 11.43 C ATOM 92 CG LYS A 6 9.559 3.661 -6.787 1.00 72.25 C ATOM 93 CD LYS A 6 10.465 4.089 -7.930 1.00 23.55 C ATOM 94 CE LYS A 6 10.593 2.995 -8.979 1.00 54.44 C ATOM 95 NZ LYS A 6 9.555 3.122 -10.040 1.00 61.32 N ATOM 0 HA LYS A 6 10.900 5.389 -4.153 1.00 51.34 H new ATOM 0 HB2 LYS A 6 11.323 3.634 -5.580 1.00 11.43 H new ATOM 0 HB3 LYS A 6 9.895 3.010 -4.779 1.00 11.43 H new ATOM 0 HG2 LYS A 6 9.249 2.627 -6.935 1.00 72.25 H new ATOM 0 HG3 LYS A 6 8.654 4.269 -6.792 1.00 72.25 H new ATOM 0 HD2 LYS A 6 10.068 4.993 -8.392 1.00 23.55 H new ATOM 0 HD3 LYS A 6 11.452 4.338 -7.540 1.00 23.55 H new ATOM 0 HE2 LYS A 6 11.583 3.040 -9.432 1.00 54.44 H new ATOM 0 HE3 LYS A 6 10.506 2.020 -8.500 1.00 54.44 H new ATOM 0 HZ1 LYS A 6 9.675 2.359 -10.736 1.00 61.32 H new ATOM 0 HZ2 LYS A 6 8.610 3.054 -9.611 1.00 61.32 H new ATOM 0 HZ3 LYS A 6 9.654 4.042 -10.514 1.00 61.32 H new ATOM 109 N GLU A 7 8.651 6.568 -6.178 1.00 21.11 N ATOM 110 CA GLU A 7 8.380 7.591 -7.181 1.00 63.01 C ATOM 111 C GLU A 7 8.419 8.985 -6.561 1.00 22.31 C ATOM 112 O GLU A 7 8.665 9.975 -7.249 1.00 43.34 O ATOM 113 CB GLU A 7 7.018 7.349 -7.834 1.00 34.05 C ATOM 114 CG GLU A 7 6.814 5.919 -8.305 1.00 50.14 C ATOM 115 CD GLU A 7 5.859 5.823 -9.479 1.00 71.43 C ATOM 116 OE1 GLU A 7 4.773 6.435 -9.413 1.00 72.11 O ATOM 117 OE2 GLU A 7 6.199 5.134 -10.465 1.00 14.25 O ATOM 0 H GLU A 7 7.817 6.141 -5.775 1.00 21.11 H new ATOM 0 HA GLU A 7 9.156 7.530 -7.944 1.00 63.01 H new ATOM 0 HB2 GLU A 7 6.233 7.604 -7.122 1.00 34.05 H new ATOM 0 HB3 GLU A 7 6.908 8.022 -8.684 1.00 34.05 H new ATOM 0 HG2 GLU A 7 7.776 5.493 -8.588 1.00 50.14 H new ATOM 0 HG3 GLU A 7 6.431 5.320 -7.479 1.00 50.14 H new ATOM 124 N ARG A 8 8.174 9.053 -5.257 1.00 21.45 N ATOM 125 CA ARG A 8 8.179 10.324 -4.543 1.00 42.13 C ATOM 126 C ARG A 8 9.556 10.978 -4.608 1.00 4.04 C ATOM 127 O ARG A 8 9.674 12.204 -4.627 1.00 60.22 O ATOM 128 CB ARG A 8 7.769 10.116 -3.084 1.00 41.52 C ATOM 129 CG ARG A 8 7.833 11.384 -2.247 1.00 62.43 C ATOM 130 CD ARG A 8 6.716 11.427 -1.216 1.00 42.43 C ATOM 131 NE ARG A 8 6.207 12.782 -1.018 1.00 70.32 N ATOM 132 CZ ARG A 8 5.154 13.067 -0.260 1.00 43.50 C ATOM 133 NH1 ARG A 8 4.503 12.098 0.368 1.00 2.55 N ATOM 134 NH2 ARG A 8 4.751 14.325 -0.129 1.00 23.10 N ATOM 0 H ARG A 8 7.969 8.242 -4.673 1.00 21.45 H new ATOM 0 HA ARG A 8 7.458 10.985 -5.024 1.00 42.13 H new ATOM 0 HB2 ARG A 8 6.753 9.721 -3.053 1.00 41.52 H new ATOM 0 HB3 ARG A 8 8.417 9.362 -2.637 1.00 41.52 H new ATOM 0 HG2 ARG A 8 8.798 11.440 -1.743 1.00 62.43 H new ATOM 0 HG3 ARG A 8 7.763 12.255 -2.898 1.00 62.43 H new ATOM 0 HD2 ARG A 8 5.902 10.777 -1.536 1.00 42.43 H new ATOM 0 HD3 ARG A 8 7.083 11.035 -0.267 1.00 42.43 H new ATOM 0 HE ARG A 8 6.686 13.551 -1.487 1.00 70.32 H new ATOM 0 HH11 ARG A 8 4.810 11.130 0.270 1.00 2.55 H new ATOM 0 HH12 ARG A 8 3.695 12.320 0.949 1.00 2.55 H new ATOM 0 HH21 ARG A 8 5.250 15.073 -0.610 1.00 23.10 H new ATOM 0 HH22 ARG A 8 3.942 14.543 0.453 1.00 23.10 H new ATOM 148 N THR A 9 10.597 10.152 -4.640 1.00 24.31 N ATOM 149 CA THR A 9 11.966 10.649 -4.700 1.00 61.42 C ATOM 150 C THR A 9 12.359 11.005 -6.129 1.00 63.12 C ATOM 151 O THR A 9 13.218 11.859 -6.352 1.00 20.20 O ATOM 152 CB THR A 9 12.964 9.614 -4.148 1.00 24.30 C ATOM 153 OG1 THR A 9 14.303 10.102 -4.287 1.00 3.04 O ATOM 154 CG2 THR A 9 12.826 8.286 -4.877 1.00 34.43 C ATOM 0 H THR A 9 10.518 9.135 -4.625 1.00 24.31 H new ATOM 0 HA THR A 9 12.004 11.546 -4.081 1.00 61.42 H new ATOM 0 HB THR A 9 12.742 9.456 -3.093 1.00 24.30 H new ATOM 0 HG1 THR A 9 14.591 10.005 -5.219 1.00 3.04 H new ATOM 0 HG21 THR A 9 13.541 7.571 -4.470 1.00 34.43 H new ATOM 0 HG22 THR A 9 11.814 7.902 -4.746 1.00 34.43 H new ATOM 0 HG23 THR A 9 13.024 8.432 -5.939 1.00 34.43 H new ATOM 162 N ILE A 10 11.726 10.346 -7.094 1.00 12.32 N ATOM 163 CA ILE A 10 12.009 10.596 -8.502 1.00 21.43 C ATOM 164 C ILE A 10 11.932 12.084 -8.823 1.00 15.33 C ATOM 165 O ILE A 10 12.819 12.638 -9.472 1.00 3.25 O ATOM 166 CB ILE A 10 11.032 9.833 -9.416 1.00 41.21 C ATOM 167 CG1 ILE A 10 11.303 8.329 -9.347 1.00 32.15 C ATOM 168 CG2 ILE A 10 11.149 10.332 -10.849 1.00 13.14 C ATOM 169 CD1 ILE A 10 12.673 7.937 -9.853 1.00 42.42 C ATOM 0 H ILE A 10 11.014 9.635 -6.926 1.00 12.32 H new ATOM 0 HA ILE A 10 13.022 10.239 -8.688 1.00 21.43 H new ATOM 0 HB ILE A 10 10.015 10.016 -9.069 1.00 41.21 H new ATOM 0 HG12 ILE A 10 11.197 7.996 -8.314 1.00 32.15 H new ATOM 0 HG13 ILE A 10 10.546 7.805 -9.930 1.00 32.15 H new ATOM 0 HG21 ILE A 10 10.453 9.784 -11.483 1.00 13.14 H new ATOM 0 HG22 ILE A 10 10.912 11.395 -10.885 1.00 13.14 H new ATOM 0 HG23 ILE A 10 12.166 10.175 -11.207 1.00 13.14 H new ATOM 0 HD11 ILE A 10 12.795 6.857 -9.774 1.00 42.42 H new ATOM 0 HD12 ILE A 10 12.776 8.238 -10.895 1.00 42.42 H new ATOM 0 HD13 ILE A 10 13.437 8.433 -9.255 1.00 42.42 H new ATOM 181 N LYS A 11 10.864 12.728 -8.363 1.00 3.34 N ATOM 182 CA LYS A 11 10.671 14.154 -8.597 1.00 55.31 C ATOM 183 C LYS A 11 11.809 14.966 -7.986 1.00 74.33 C ATOM 184 O LYS A 11 12.295 15.922 -8.591 1.00 24.23 O ATOM 185 CB LYS A 11 9.333 14.611 -8.011 1.00 54.32 C ATOM 186 CG LYS A 11 8.172 13.696 -8.359 1.00 72.33 C ATOM 187 CD LYS A 11 6.848 14.265 -7.876 1.00 43.25 C ATOM 188 CE LYS A 11 5.681 13.371 -8.266 1.00 64.31 C ATOM 189 NZ LYS A 11 4.407 14.134 -8.366 1.00 53.13 N ATOM 0 H LYS A 11 10.119 12.284 -7.826 1.00 3.34 H new ATOM 0 HA LYS A 11 10.666 14.322 -9.674 1.00 55.31 H new ATOM 0 HB2 LYS A 11 9.423 14.673 -6.927 1.00 54.32 H new ATOM 0 HB3 LYS A 11 9.113 15.616 -8.371 1.00 54.32 H new ATOM 0 HG2 LYS A 11 8.134 13.550 -9.438 1.00 72.33 H new ATOM 0 HG3 LYS A 11 8.333 12.716 -7.910 1.00 72.33 H new ATOM 0 HD2 LYS A 11 6.874 14.379 -6.792 1.00 43.25 H new ATOM 0 HD3 LYS A 11 6.703 15.259 -8.298 1.00 43.25 H new ATOM 0 HE2 LYS A 11 5.894 12.893 -9.222 1.00 64.31 H new ATOM 0 HE3 LYS A 11 5.571 12.575 -7.529 1.00 64.31 H new ATOM 0 HZ1 LYS A 11 3.636 13.489 -8.634 1.00 53.13 H new ATOM 0 HZ2 LYS A 11 4.190 14.570 -7.447 1.00 53.13 H new ATOM 0 HZ3 LYS A 11 4.503 14.877 -9.087 1.00 53.13 H new ATOM 203 N ILE A 12 12.229 14.578 -6.787 1.00 34.40 N ATOM 204 CA ILE A 12 13.311 15.268 -6.097 1.00 21.11 C ATOM 205 C ILE A 12 14.632 15.099 -6.839 1.00 43.34 C ATOM 206 O ILE A 12 15.269 16.079 -7.225 1.00 70.32 O ATOM 207 CB ILE A 12 13.477 14.755 -4.654 1.00 72.43 C ATOM 208 CG1 ILE A 12 12.180 14.952 -3.867 1.00 54.13 C ATOM 209 CG2 ILE A 12 14.633 15.467 -3.968 1.00 53.11 C ATOM 210 CD1 ILE A 12 12.257 14.456 -2.440 1.00 41.43 C ATOM 0 H ILE A 12 11.836 13.789 -6.273 1.00 34.40 H new ATOM 0 HA ILE A 12 13.044 16.325 -6.070 1.00 21.11 H new ATOM 0 HB ILE A 12 13.701 13.689 -4.687 1.00 72.43 H new ATOM 0 HG12 ILE A 12 11.926 16.012 -3.861 1.00 54.13 H new ATOM 0 HG13 ILE A 12 11.371 14.433 -4.380 1.00 54.13 H new ATOM 0 HG21 ILE A 12 14.737 15.093 -2.949 1.00 53.11 H new ATOM 0 HG22 ILE A 12 15.554 15.280 -4.519 1.00 53.11 H new ATOM 0 HG23 ILE A 12 14.437 16.539 -3.943 1.00 53.11 H new ATOM 0 HD11 ILE A 12 11.302 14.628 -1.943 1.00 41.43 H new ATOM 0 HD12 ILE A 12 12.480 13.389 -2.437 1.00 41.43 H new ATOM 0 HD13 ILE A 12 13.044 14.993 -1.910 1.00 41.43 H new ATOM 222 N GLY A 13 15.038 13.849 -7.038 1.00 21.30 N ATOM 223 CA GLY A 13 16.281 13.574 -7.735 1.00 73.05 C ATOM 224 C GLY A 13 16.327 14.211 -9.110 1.00 71.22 C ATOM 225 O GLY A 13 17.398 14.566 -9.603 1.00 11.33 O ATOM 0 H GLY A 13 14.528 13.021 -6.729 1.00 21.30 H new ATOM 0 HA2 GLY A 13 17.117 13.941 -7.140 1.00 73.05 H new ATOM 0 HA3 GLY A 13 16.409 12.496 -7.833 1.00 73.05 H new ATOM 229 N LYS A 14 15.162 14.354 -9.733 1.00 43.35 N ATOM 230 CA LYS A 14 15.073 14.952 -11.060 1.00 74.14 C ATOM 231 C LYS A 14 14.981 16.472 -10.968 1.00 22.34 C ATOM 232 O LYS A 14 15.334 17.183 -11.909 1.00 11.03 O ATOM 233 CB LYS A 14 13.856 14.402 -11.809 1.00 2.02 C ATOM 234 CG LYS A 14 13.947 12.916 -12.108 1.00 31.43 C ATOM 235 CD LYS A 14 14.085 12.654 -13.598 1.00 71.11 C ATOM 236 CE LYS A 14 13.646 11.243 -13.959 1.00 64.02 C ATOM 237 NZ LYS A 14 14.608 10.584 -14.886 1.00 75.51 N ATOM 0 H LYS A 14 14.266 14.064 -9.340 1.00 43.35 H new ATOM 0 HA LYS A 14 15.979 14.693 -11.609 1.00 74.14 H new ATOM 0 HB2 LYS A 14 12.960 14.591 -11.218 1.00 2.02 H new ATOM 0 HB3 LYS A 14 13.740 14.946 -12.746 1.00 2.02 H new ATOM 0 HG2 LYS A 14 14.801 12.490 -11.582 1.00 31.43 H new ATOM 0 HG3 LYS A 14 13.057 12.413 -11.730 1.00 31.43 H new ATOM 0 HD2 LYS A 14 13.485 13.376 -14.152 1.00 71.11 H new ATOM 0 HD3 LYS A 14 15.122 12.802 -13.900 1.00 71.11 H new ATOM 0 HE2 LYS A 14 13.551 10.648 -13.050 1.00 64.02 H new ATOM 0 HE3 LYS A 14 12.660 11.277 -14.422 1.00 64.02 H new ATOM 0 HZ1 LYS A 14 14.636 9.563 -14.689 1.00 75.51 H new ATOM 0 HZ2 LYS A 14 14.305 10.739 -15.869 1.00 75.51 H new ATOM 0 HZ3 LYS A 14 15.556 10.989 -14.748 1.00 75.51 H new ATOM 251 N TYR A 15 14.508 16.963 -9.828 1.00 34.31 N ATOM 252 CA TYR A 15 14.369 18.398 -9.613 1.00 4.20 C ATOM 253 C TYR A 15 15.702 19.019 -9.206 1.00 22.12 C ATOM 254 O TYR A 15 16.068 20.096 -9.678 1.00 61.41 O ATOM 255 CB TYR A 15 13.316 18.675 -8.539 1.00 52.32 C ATOM 256 CG TYR A 15 13.019 20.145 -8.347 1.00 3.41 C ATOM 257 CD1 TYR A 15 13.809 20.930 -7.516 1.00 2.43 C ATOM 258 CD2 TYR A 15 11.949 20.749 -8.995 1.00 42.32 C ATOM 259 CE1 TYR A 15 13.542 22.274 -7.336 1.00 71.23 C ATOM 260 CE2 TYR A 15 11.675 22.092 -8.823 1.00 3.21 C ATOM 261 CZ TYR A 15 12.474 22.850 -7.992 1.00 42.24 C ATOM 262 OH TYR A 15 12.204 24.188 -7.817 1.00 32.00 O ATOM 0 H TYR A 15 14.214 16.388 -9.038 1.00 34.31 H new ATOM 0 HA TYR A 15 14.049 18.851 -10.551 1.00 4.20 H new ATOM 0 HB2 TYR A 15 12.394 18.158 -8.805 1.00 52.32 H new ATOM 0 HB3 TYR A 15 13.656 18.255 -7.592 1.00 52.32 H new ATOM 0 HD1 TYR A 15 14.646 20.482 -7.002 1.00 2.43 H new ATOM 0 HD2 TYR A 15 11.320 20.158 -9.645 1.00 42.32 H new ATOM 0 HE1 TYR A 15 14.166 22.870 -6.686 1.00 71.23 H new ATOM 0 HE2 TYR A 15 10.840 22.546 -9.336 1.00 3.21 H new ATOM 0 HH TYR A 15 11.234 24.329 -7.820 1.00 32.00 H new ATOM 272 N ILE A 16 16.423 18.331 -8.327 1.00 4.43 N ATOM 273 CA ILE A 16 17.716 18.813 -7.857 1.00 3.23 C ATOM 274 C ILE A 16 18.620 19.190 -9.025 1.00 44.23 C ATOM 275 O ILE A 16 19.395 20.144 -8.943 1.00 31.42 O ATOM 276 CB ILE A 16 18.429 17.758 -6.990 1.00 42.23 C ATOM 277 CG1 ILE A 16 18.873 16.574 -7.852 1.00 11.21 C ATOM 278 CG2 ILE A 16 17.516 17.290 -5.867 1.00 52.13 C ATOM 279 CD1 ILE A 16 20.274 16.720 -8.404 1.00 54.10 C ATOM 0 H ILE A 16 16.134 17.439 -7.926 1.00 4.43 H new ATOM 0 HA ILE A 16 17.521 19.698 -7.251 1.00 3.23 H new ATOM 0 HB ILE A 16 19.315 18.212 -6.546 1.00 42.23 H new ATOM 0 HG12 ILE A 16 18.819 15.662 -7.258 1.00 11.21 H new ATOM 0 HG13 ILE A 16 18.175 16.457 -8.681 1.00 11.21 H new ATOM 0 HG21 ILE A 16 18.034 16.545 -5.263 1.00 52.13 H new ATOM 0 HG22 ILE A 16 17.245 18.140 -5.240 1.00 52.13 H new ATOM 0 HG23 ILE A 16 16.614 16.850 -6.291 1.00 52.13 H new ATOM 0 HD11 ILE A 16 20.521 15.845 -9.005 1.00 54.10 H new ATOM 0 HD12 ILE A 16 20.329 17.614 -9.025 1.00 54.10 H new ATOM 0 HD13 ILE A 16 20.982 16.807 -7.580 1.00 54.10 H new ATOM 291 N VAL A 17 18.515 18.436 -10.115 1.00 42.21 N ATOM 292 CA VAL A 17 19.321 18.693 -11.303 1.00 21.42 C ATOM 293 C VAL A 17 18.654 19.723 -12.207 1.00 64.13 C ATOM 294 O VAL A 17 19.328 20.457 -12.929 1.00 50.04 O ATOM 295 CB VAL A 17 19.564 17.401 -12.106 1.00 34.10 C ATOM 296 CG1 VAL A 17 18.263 16.898 -12.714 1.00 23.10 C ATOM 297 CG2 VAL A 17 20.611 17.633 -13.184 1.00 42.33 C ATOM 0 H VAL A 17 17.880 17.642 -10.200 1.00 42.21 H new ATOM 0 HA VAL A 17 20.279 19.083 -10.958 1.00 21.42 H new ATOM 0 HB VAL A 17 19.939 16.636 -11.426 1.00 34.10 H new ATOM 0 HG11 VAL A 17 18.454 15.985 -13.278 1.00 23.10 H new ATOM 0 HG12 VAL A 17 17.546 16.691 -11.919 1.00 23.10 H new ATOM 0 HG13 VAL A 17 17.856 17.658 -13.381 1.00 23.10 H new ATOM 0 HG21 VAL A 17 20.770 16.710 -13.741 1.00 42.33 H new ATOM 0 HG22 VAL A 17 20.267 18.413 -13.864 1.00 42.33 H new ATOM 0 HG23 VAL A 17 21.548 17.943 -12.721 1.00 42.33 H new ATOM 307 N GLU A 18 17.327 19.771 -12.162 1.00 13.42 N ATOM 308 CA GLU A 18 16.569 20.712 -12.978 1.00 51.24 C ATOM 309 C GLU A 18 16.830 22.149 -12.537 1.00 3.33 C ATOM 310 O GLU A 18 16.830 23.072 -13.352 1.00 43.13 O ATOM 311 CB GLU A 18 15.072 20.405 -12.894 1.00 3.24 C ATOM 312 CG GLU A 18 14.435 20.106 -14.240 1.00 61.30 C ATOM 313 CD GLU A 18 12.998 19.638 -14.114 1.00 63.43 C ATOM 314 OE1 GLU A 18 12.120 20.485 -13.847 1.00 63.31 O ATOM 315 OE2 GLU A 18 12.752 18.425 -14.283 1.00 12.23 O ATOM 0 H GLU A 18 16.755 19.170 -11.569 1.00 13.42 H new ATOM 0 HA GLU A 18 16.897 20.602 -14.012 1.00 51.24 H new ATOM 0 HB2 GLU A 18 14.921 19.552 -12.233 1.00 3.24 H new ATOM 0 HB3 GLU A 18 14.561 21.254 -12.440 1.00 3.24 H new ATOM 0 HG2 GLU A 18 14.468 21.001 -14.861 1.00 61.30 H new ATOM 0 HG3 GLU A 18 15.019 19.341 -14.752 1.00 61.30 H new ATOM 322 N THR A 19 17.052 22.332 -11.239 1.00 5.23 N ATOM 323 CA THR A 19 17.313 23.656 -10.687 1.00 24.30 C ATOM 324 C THR A 19 18.758 23.780 -10.215 1.00 35.41 C ATOM 325 O THR A 19 19.284 24.884 -10.077 1.00 63.12 O ATOM 326 CB THR A 19 16.372 23.969 -9.509 1.00 55.02 C ATOM 327 OG1 THR A 19 16.753 23.205 -8.360 1.00 5.22 O ATOM 328 CG2 THR A 19 14.928 23.659 -9.874 1.00 34.34 C ATOM 0 H THR A 19 17.056 21.580 -10.550 1.00 5.23 H new ATOM 0 HA THR A 19 17.132 24.373 -11.488 1.00 24.30 H new ATOM 0 HB THR A 19 16.453 25.032 -9.281 1.00 55.02 H new ATOM 0 HG1 THR A 19 15.951 22.850 -7.923 1.00 5.22 H new ATOM 0 HG21 THR A 19 14.281 23.888 -9.027 1.00 34.34 H new ATOM 0 HG22 THR A 19 14.631 24.264 -10.731 1.00 34.34 H new ATOM 0 HG23 THR A 19 14.835 22.603 -10.126 1.00 34.34 H new ATOM 336 N LYS A 20 19.394 22.640 -9.968 1.00 64.24 N ATOM 337 CA LYS A 20 20.779 22.620 -9.513 1.00 64.43 C ATOM 338 C LYS A 20 20.914 23.289 -8.149 1.00 73.22 C ATOM 339 O LYS A 20 21.930 23.917 -7.851 1.00 60.24 O ATOM 340 CB LYS A 20 21.682 23.323 -10.529 1.00 61.04 C ATOM 341 CG LYS A 20 21.469 22.856 -11.959 1.00 34.53 C ATOM 342 CD LYS A 20 21.948 21.427 -12.156 1.00 4.32 C ATOM 343 CE LYS A 20 23.452 21.312 -11.957 1.00 50.01 C ATOM 344 NZ LYS A 20 24.108 20.601 -13.089 1.00 41.02 N ATOM 0 H LYS A 20 18.972 21.718 -10.075 1.00 64.24 H new ATOM 0 HA LYS A 20 21.089 21.579 -9.420 1.00 64.43 H new ATOM 0 HB2 LYS A 20 21.506 24.397 -10.477 1.00 61.04 H new ATOM 0 HB3 LYS A 20 22.723 23.157 -10.253 1.00 61.04 H new ATOM 0 HG2 LYS A 20 20.411 22.924 -12.211 1.00 34.53 H new ATOM 0 HG3 LYS A 20 22.003 23.517 -12.642 1.00 34.53 H new ATOM 0 HD2 LYS A 20 21.435 20.770 -11.453 1.00 4.32 H new ATOM 0 HD3 LYS A 20 21.685 21.089 -13.158 1.00 4.32 H new ATOM 0 HE2 LYS A 20 23.882 22.308 -11.856 1.00 50.01 H new ATOM 0 HE3 LYS A 20 23.656 20.781 -11.027 1.00 50.01 H new ATOM 0 HZ1 LYS A 20 25.132 20.543 -12.916 1.00 41.02 H new ATOM 0 HZ2 LYS A 20 23.716 19.641 -13.170 1.00 41.02 H new ATOM 0 HZ3 LYS A 20 23.935 21.121 -13.973 1.00 41.02 H new ATOM 358 N LYS A 21 19.883 23.149 -7.323 1.00 13.52 N ATOM 359 CA LYS A 21 19.886 23.738 -5.989 1.00 32.23 C ATOM 360 C LYS A 21 20.273 22.702 -4.938 1.00 72.22 C ATOM 361 O LYS A 21 20.587 21.557 -5.266 1.00 32.13 O ATOM 362 CB LYS A 21 18.509 24.321 -5.663 1.00 32.53 C ATOM 363 CG LYS A 21 18.414 25.820 -5.886 1.00 64.12 C ATOM 364 CD LYS A 21 17.474 26.155 -7.032 1.00 31.24 C ATOM 365 CE LYS A 21 16.038 25.777 -6.702 1.00 52.22 C ATOM 366 NZ LYS A 21 15.074 26.359 -7.677 1.00 32.02 N ATOM 0 H LYS A 21 19.034 22.633 -7.554 1.00 13.52 H new ATOM 0 HA LYS A 21 20.625 24.539 -5.974 1.00 32.23 H new ATOM 0 HB2 LYS A 21 17.758 23.823 -6.277 1.00 32.53 H new ATOM 0 HB3 LYS A 21 18.268 24.101 -4.623 1.00 32.53 H new ATOM 0 HG2 LYS A 21 18.064 26.303 -4.974 1.00 64.12 H new ATOM 0 HG3 LYS A 21 19.405 26.221 -6.098 1.00 64.12 H new ATOM 0 HD2 LYS A 21 17.530 27.221 -7.250 1.00 31.24 H new ATOM 0 HD3 LYS A 21 17.793 25.628 -7.932 1.00 31.24 H new ATOM 0 HE2 LYS A 21 15.940 24.691 -6.698 1.00 52.22 H new ATOM 0 HE3 LYS A 21 15.793 26.123 -5.698 1.00 52.22 H new ATOM 0 HZ1 LYS A 21 14.566 27.150 -7.233 1.00 32.02 H new ATOM 0 HZ2 LYS A 21 15.590 26.704 -8.511 1.00 32.02 H new ATOM 0 HZ3 LYS A 21 14.392 25.630 -7.969 1.00 32.02 H new ATOM 380 N THR A 22 20.247 23.110 -3.673 1.00 40.12 N ATOM 381 CA THR A 22 20.595 22.218 -2.575 1.00 34.53 C ATOM 382 C THR A 22 19.355 21.538 -2.005 1.00 73.34 C ATOM 383 O THR A 22 18.237 22.029 -2.164 1.00 20.23 O ATOM 384 CB THR A 22 21.317 22.974 -1.444 1.00 33.45 C ATOM 385 OG1 THR A 22 20.380 23.774 -0.714 1.00 3.13 O ATOM 386 CG2 THR A 22 22.421 23.858 -2.003 1.00 14.42 C ATOM 0 H THR A 22 19.988 24.053 -3.384 1.00 40.12 H new ATOM 0 HA THR A 22 21.266 21.462 -2.983 1.00 34.53 H new ATOM 0 HB THR A 22 21.766 22.240 -0.775 1.00 33.45 H new ATOM 0 HG1 THR A 22 20.846 24.250 0.004 1.00 3.13 H new ATOM 0 HG21 THR A 22 22.917 24.382 -1.186 1.00 14.42 H new ATOM 0 HG22 THR A 22 23.148 23.242 -2.532 1.00 14.42 H new ATOM 0 HG23 THR A 22 21.991 24.585 -2.692 1.00 14.42 H new ATOM 394 N VAL A 23 19.559 20.405 -1.341 1.00 21.40 N ATOM 395 CA VAL A 23 18.457 19.658 -0.746 1.00 23.12 C ATOM 396 C VAL A 23 17.594 20.558 0.132 1.00 63.45 C ATOM 397 O VAL A 23 16.398 20.317 0.298 1.00 43.32 O ATOM 398 CB VAL A 23 18.971 18.476 0.098 1.00 2.42 C ATOM 399 CG1 VAL A 23 19.466 17.353 -0.800 1.00 51.24 C ATOM 400 CG2 VAL A 23 20.070 18.936 1.045 1.00 51.45 C ATOM 0 H VAL A 23 20.478 19.984 -1.201 1.00 21.40 H new ATOM 0 HA VAL A 23 17.855 19.272 -1.569 1.00 23.12 H new ATOM 0 HB VAL A 23 18.144 18.093 0.696 1.00 2.42 H new ATOM 0 HG11 VAL A 23 19.825 16.527 -0.186 1.00 51.24 H new ATOM 0 HG12 VAL A 23 18.649 17.006 -1.433 1.00 51.24 H new ATOM 0 HG13 VAL A 23 20.279 17.720 -1.426 1.00 51.24 H new ATOM 0 HG21 VAL A 23 20.422 18.089 1.633 1.00 51.45 H new ATOM 0 HG22 VAL A 23 20.899 19.346 0.468 1.00 51.45 H new ATOM 0 HG23 VAL A 23 19.678 19.703 1.712 1.00 51.45 H new ATOM 410 N ARG A 24 18.209 21.595 0.691 1.00 54.04 N ATOM 411 CA ARG A 24 17.497 22.531 1.552 1.00 15.20 C ATOM 412 C ARG A 24 16.449 23.309 0.761 1.00 71.01 C ATOM 413 O ARG A 24 15.366 23.604 1.267 1.00 1.00 O ATOM 414 CB ARG A 24 18.480 23.502 2.209 1.00 54.03 C ATOM 415 CG ARG A 24 17.806 24.586 3.033 1.00 13.35 C ATOM 416 CD ARG A 24 18.594 24.897 4.296 1.00 30.43 C ATOM 417 NE ARG A 24 18.213 26.181 4.878 1.00 50.03 N ATOM 418 CZ ARG A 24 18.556 26.564 6.102 1.00 5.33 C ATOM 419 NH1 ARG A 24 19.285 25.766 6.870 1.00 1.14 N ATOM 420 NH2 ARG A 24 18.172 27.749 6.561 1.00 75.53 N ATOM 0 H ARG A 24 19.198 21.808 0.563 1.00 54.04 H new ATOM 0 HA ARG A 24 16.990 21.958 2.328 1.00 15.20 H new ATOM 0 HB2 ARG A 24 19.159 22.940 2.850 1.00 54.03 H new ATOM 0 HB3 ARG A 24 19.087 23.971 1.434 1.00 54.03 H new ATOM 0 HG2 ARG A 24 17.706 25.491 2.433 1.00 13.35 H new ATOM 0 HG3 ARG A 24 16.798 24.268 3.301 1.00 13.35 H new ATOM 0 HD2 ARG A 24 18.433 24.105 5.028 1.00 30.43 H new ATOM 0 HD3 ARG A 24 19.659 24.906 4.065 1.00 30.43 H new ATOM 0 HE ARG A 24 17.652 26.819 4.313 1.00 50.03 H new ATOM 0 HH11 ARG A 24 19.584 24.855 6.521 1.00 1.14 H new ATOM 0 HH12 ARG A 24 19.547 26.063 7.810 1.00 1.14 H new ATOM 0 HH21 ARG A 24 17.613 28.367 5.973 1.00 75.53 H new ATOM 0 HH22 ARG A 24 18.436 28.042 7.502 1.00 75.53 H new ATOM 434 N VAL A 25 16.779 23.639 -0.484 1.00 21.32 N ATOM 435 CA VAL A 25 15.867 24.382 -1.345 1.00 62.34 C ATOM 436 C VAL A 25 14.908 23.443 -2.069 1.00 42.44 C ATOM 437 O VAL A 25 13.792 23.829 -2.417 1.00 75.43 O ATOM 438 CB VAL A 25 16.635 25.217 -2.387 1.00 13.30 C ATOM 439 CG1 VAL A 25 15.689 26.156 -3.121 1.00 20.14 C ATOM 440 CG2 VAL A 25 17.760 25.994 -1.721 1.00 43.52 C ATOM 0 H VAL A 25 17.671 23.403 -0.918 1.00 21.32 H new ATOM 0 HA VAL A 25 15.298 25.052 -0.701 1.00 62.34 H new ATOM 0 HB VAL A 25 17.075 24.539 -3.118 1.00 13.30 H new ATOM 0 HG11 VAL A 25 16.249 26.738 -3.853 1.00 20.14 H new ATOM 0 HG12 VAL A 25 14.921 25.574 -3.631 1.00 20.14 H new ATOM 0 HG13 VAL A 25 15.218 26.830 -2.406 1.00 20.14 H new ATOM 0 HG21 VAL A 25 18.292 26.578 -2.471 1.00 43.52 H new ATOM 0 HG22 VAL A 25 17.344 26.663 -0.968 1.00 43.52 H new ATOM 0 HG23 VAL A 25 18.451 25.298 -1.246 1.00 43.52 H new ATOM 450 N ILE A 26 15.351 22.211 -2.293 1.00 20.23 N ATOM 451 CA ILE A 26 14.531 21.217 -2.974 1.00 61.31 C ATOM 452 C ILE A 26 13.511 20.600 -2.023 1.00 52.31 C ATOM 453 O ILE A 26 12.421 20.205 -2.437 1.00 2.43 O ATOM 454 CB ILE A 26 15.394 20.095 -3.580 1.00 64.33 C ATOM 455 CG1 ILE A 26 16.347 20.666 -4.632 1.00 41.34 C ATOM 456 CG2 ILE A 26 14.510 19.016 -4.189 1.00 4.24 C ATOM 457 CD1 ILE A 26 17.792 20.274 -4.416 1.00 71.32 C ATOM 0 H ILE A 26 16.273 21.877 -2.013 1.00 20.23 H new ATOM 0 HA ILE A 26 14.008 21.737 -3.777 1.00 61.31 H new ATOM 0 HB ILE A 26 15.988 19.645 -2.785 1.00 64.33 H new ATOM 0 HG12 ILE A 26 16.031 20.327 -5.619 1.00 41.34 H new ATOM 0 HG13 ILE A 26 16.270 21.753 -4.628 1.00 41.34 H new ATOM 0 HG21 ILE A 26 15.135 18.230 -4.613 1.00 4.24 H new ATOM 0 HG22 ILE A 26 13.869 18.592 -3.416 1.00 4.24 H new ATOM 0 HG23 ILE A 26 13.892 19.452 -4.974 1.00 4.24 H new ATOM 0 HD11 ILE A 26 18.409 20.714 -5.199 1.00 71.32 H new ATOM 0 HD12 ILE A 26 18.126 20.636 -3.444 1.00 71.32 H new ATOM 0 HD13 ILE A 26 17.883 19.188 -4.449 1.00 71.32 H new ATOM 469 N ALA A 27 13.871 20.523 -0.746 1.00 65.13 N ATOM 470 CA ALA A 27 12.986 19.958 0.265 1.00 41.43 C ATOM 471 C ALA A 27 11.825 20.900 0.565 1.00 0.12 C ATOM 472 O ALA A 27 10.661 20.502 0.520 1.00 71.22 O ATOM 473 CB ALA A 27 13.764 19.654 1.536 1.00 32.44 C ATOM 0 H ALA A 27 14.770 20.845 -0.387 1.00 65.13 H new ATOM 0 HA ALA A 27 12.573 19.028 -0.126 1.00 41.43 H new ATOM 0 HB1 ALA A 27 13.091 19.233 2.283 1.00 32.44 H new ATOM 0 HB2 ALA A 27 14.556 18.938 1.316 1.00 32.44 H new ATOM 0 HB3 ALA A 27 14.204 20.574 1.922 1.00 32.44 H new ATOM 479 N LYS A 28 12.149 22.151 0.873 1.00 12.42 N ATOM 480 CA LYS A 28 11.133 23.151 1.181 1.00 2.32 C ATOM 481 C LYS A 28 10.066 23.197 0.092 1.00 65.21 C ATOM 482 O LYS A 28 8.907 23.509 0.360 1.00 52.14 O ATOM 483 CB LYS A 28 11.777 24.531 1.337 1.00 21.22 C ATOM 484 CG LYS A 28 12.624 24.945 0.146 1.00 22.14 C ATOM 485 CD LYS A 28 11.786 25.617 -0.928 1.00 14.34 C ATOM 486 CE LYS A 28 12.060 27.112 -0.995 1.00 20.13 C ATOM 487 NZ LYS A 28 10.812 27.896 -1.209 1.00 22.20 N ATOM 0 H LYS A 28 13.108 22.497 0.916 1.00 12.42 H new ATOM 0 HA LYS A 28 10.656 22.870 2.120 1.00 2.32 H new ATOM 0 HB2 LYS A 28 10.993 25.273 1.490 1.00 21.22 H new ATOM 0 HB3 LYS A 28 12.398 24.534 2.233 1.00 21.22 H new ATOM 0 HG2 LYS A 28 13.409 25.626 0.476 1.00 22.14 H new ATOM 0 HG3 LYS A 28 13.118 24.068 -0.272 1.00 22.14 H new ATOM 0 HD2 LYS A 28 12.001 25.163 -1.895 1.00 14.34 H new ATOM 0 HD3 LYS A 28 10.729 25.449 -0.724 1.00 14.34 H new ATOM 0 HE2 LYS A 28 12.538 27.435 -0.070 1.00 20.13 H new ATOM 0 HE3 LYS A 28 12.761 27.317 -1.804 1.00 20.13 H new ATOM 0 HZ1 LYS A 28 11.041 28.910 -1.249 1.00 22.20 H new ATOM 0 HZ2 LYS A 28 10.369 27.606 -2.104 1.00 22.20 H new ATOM 0 HZ3 LYS A 28 10.153 27.721 -0.424 1.00 22.20 H new ATOM 501 N GLU A 29 10.467 22.882 -1.136 1.00 40.00 N ATOM 502 CA GLU A 29 9.544 22.887 -2.265 1.00 32.13 C ATOM 503 C GLU A 29 8.533 21.750 -2.146 1.00 12.24 C ATOM 504 O GLU A 29 7.357 21.914 -2.471 1.00 33.30 O ATOM 505 CB GLU A 29 10.313 22.764 -3.582 1.00 11.12 C ATOM 506 CG GLU A 29 10.973 24.059 -4.025 1.00 14.35 C ATOM 507 CD GLU A 29 10.569 24.470 -5.427 1.00 62.45 C ATOM 508 OE1 GLU A 29 10.248 23.575 -6.237 1.00 65.45 O ATOM 509 OE2 GLU A 29 10.574 25.685 -5.716 1.00 24.55 O ATOM 0 H GLU A 29 11.424 22.620 -1.374 1.00 40.00 H new ATOM 0 HA GLU A 29 9.004 23.834 -2.255 1.00 32.13 H new ATOM 0 HB2 GLU A 29 11.077 21.994 -3.476 1.00 11.12 H new ATOM 0 HB3 GLU A 29 9.629 22.429 -4.362 1.00 11.12 H new ATOM 0 HG2 GLU A 29 10.709 24.854 -3.327 1.00 14.35 H new ATOM 0 HG3 GLU A 29 12.056 23.944 -3.982 1.00 14.35 H new ATOM 516 N PHE A 30 9.000 20.598 -1.677 1.00 72.53 N ATOM 517 CA PHE A 30 8.138 19.432 -1.516 1.00 50.24 C ATOM 518 C PHE A 30 7.324 19.531 -0.229 1.00 44.13 C ATOM 519 O PHE A 30 6.269 18.912 -0.100 1.00 25.44 O ATOM 520 CB PHE A 30 8.974 18.151 -1.508 1.00 33.43 C ATOM 521 CG PHE A 30 9.342 17.666 -2.881 1.00 22.13 C ATOM 522 CD1 PHE A 30 10.128 18.443 -3.717 1.00 32.14 C ATOM 523 CD2 PHE A 30 8.902 16.433 -3.336 1.00 3.22 C ATOM 524 CE1 PHE A 30 10.469 18.000 -4.981 1.00 30.34 C ATOM 525 CE2 PHE A 30 9.241 15.985 -4.598 1.00 74.44 C ATOM 526 CZ PHE A 30 10.024 16.769 -5.422 1.00 52.23 C ATOM 0 H PHE A 30 9.970 20.446 -1.402 1.00 72.53 H new ATOM 0 HA PHE A 30 7.448 19.402 -2.359 1.00 50.24 H new ATOM 0 HB2 PHE A 30 9.886 18.325 -0.937 1.00 33.43 H new ATOM 0 HB3 PHE A 30 8.419 17.368 -0.991 1.00 33.43 H new ATOM 0 HD1 PHE A 30 10.478 19.406 -3.377 1.00 32.14 H new ATOM 0 HD2 PHE A 30 8.288 15.816 -2.697 1.00 3.22 H new ATOM 0 HE1 PHE A 30 11.082 18.615 -5.623 1.00 30.34 H new ATOM 0 HE2 PHE A 30 8.894 15.021 -4.940 1.00 74.44 H new ATOM 0 HZ PHE A 30 10.288 16.420 -6.409 1.00 52.23 H new ATOM 536 N GLY A 31 7.824 20.315 0.721 1.00 3.22 N ATOM 537 CA GLY A 31 7.132 20.481 1.986 1.00 25.11 C ATOM 538 C GLY A 31 7.707 19.603 3.080 1.00 13.24 C ATOM 539 O GLY A 31 7.045 19.336 4.084 1.00 41.43 O ATOM 0 H GLY A 31 8.696 20.838 0.637 1.00 3.22 H new ATOM 0 HA2 GLY A 31 7.190 21.525 2.294 1.00 25.11 H new ATOM 0 HA3 GLY A 31 6.076 20.246 1.853 1.00 25.11 H new ATOM 543 N VAL A 32 8.942 19.151 2.887 1.00 12.12 N ATOM 544 CA VAL A 32 9.605 18.298 3.866 1.00 62.44 C ATOM 545 C VAL A 32 10.986 18.838 4.219 1.00 22.34 C ATOM 546 O VAL A 32 11.490 19.755 3.572 1.00 51.25 O ATOM 547 CB VAL A 32 9.748 16.855 3.346 1.00 30.54 C ATOM 548 CG1 VAL A 32 8.381 16.209 3.180 1.00 32.24 C ATOM 549 CG2 VAL A 32 10.519 16.834 2.035 1.00 11.51 C ATOM 0 H VAL A 32 9.503 19.361 2.062 1.00 12.12 H new ATOM 0 HA VAL A 32 8.980 18.295 4.759 1.00 62.44 H new ATOM 0 HB VAL A 32 10.310 16.278 4.080 1.00 30.54 H new ATOM 0 HG11 VAL A 32 8.502 15.190 2.812 1.00 32.24 H new ATOM 0 HG12 VAL A 32 7.869 16.189 4.142 1.00 32.24 H new ATOM 0 HG13 VAL A 32 7.791 16.785 2.467 1.00 32.24 H new ATOM 0 HG21 VAL A 32 10.610 15.806 1.683 1.00 11.51 H new ATOM 0 HG22 VAL A 32 9.987 17.427 1.291 1.00 11.51 H new ATOM 0 HG23 VAL A 32 11.513 17.254 2.191 1.00 11.51 H new ATOM 559 N SER A 33 11.594 18.262 5.252 1.00 62.03 N ATOM 560 CA SER A 33 12.917 18.688 5.694 1.00 33.34 C ATOM 561 C SER A 33 14.009 18.011 4.872 1.00 71.21 C ATOM 562 O SER A 33 13.725 17.221 3.971 1.00 41.55 O ATOM 563 CB SER A 33 13.108 18.368 7.178 1.00 3.43 C ATOM 564 OG SER A 33 12.851 17.000 7.443 1.00 12.30 O ATOM 0 H SER A 33 11.192 17.500 5.798 1.00 62.03 H new ATOM 0 HA SER A 33 12.993 19.766 5.548 1.00 33.34 H new ATOM 0 HB2 SER A 33 14.127 18.614 7.478 1.00 3.43 H new ATOM 0 HB3 SER A 33 12.441 18.989 7.776 1.00 3.43 H new ATOM 0 HG SER A 33 12.982 16.822 8.398 1.00 12.30 H new ATOM 570 N LYS A 34 15.260 18.325 5.189 1.00 43.51 N ATOM 571 CA LYS A 34 16.397 17.748 4.482 1.00 44.41 C ATOM 572 C LYS A 34 16.758 16.382 5.055 1.00 22.25 C ATOM 573 O LYS A 34 17.204 15.492 4.331 1.00 74.01 O ATOM 574 CB LYS A 34 17.605 18.684 4.567 1.00 4.11 C ATOM 575 CG LYS A 34 17.308 20.103 4.115 1.00 5.40 C ATOM 576 CD LYS A 34 17.073 21.028 5.298 1.00 61.31 C ATOM 577 CE LYS A 34 15.731 21.736 5.193 1.00 4.42 C ATOM 578 NZ LYS A 34 15.157 22.038 6.534 1.00 43.23 N ATOM 0 H LYS A 34 15.513 18.977 5.932 1.00 43.51 H new ATOM 0 HA LYS A 34 16.116 17.621 3.437 1.00 44.41 H new ATOM 0 HB2 LYS A 34 17.964 18.707 5.596 1.00 4.11 H new ATOM 0 HB3 LYS A 34 18.412 18.279 3.956 1.00 4.11 H new ATOM 0 HG2 LYS A 34 18.140 20.478 3.519 1.00 5.40 H new ATOM 0 HG3 LYS A 34 16.429 20.104 3.471 1.00 5.40 H new ATOM 0 HD2 LYS A 34 17.111 20.454 6.224 1.00 61.31 H new ATOM 0 HD3 LYS A 34 17.873 21.767 5.348 1.00 61.31 H new ATOM 0 HE2 LYS A 34 15.852 22.663 4.633 1.00 4.42 H new ATOM 0 HE3 LYS A 34 15.035 21.113 4.632 1.00 4.42 H new ATOM 0 HZ1 LYS A 34 14.243 22.520 6.420 1.00 43.23 H new ATOM 0 HZ2 LYS A 34 15.017 21.151 7.060 1.00 43.23 H new ATOM 0 HZ3 LYS A 34 15.810 22.653 7.060 1.00 43.23 H new ATOM 592 N SER A 35 16.562 16.222 6.360 1.00 15.03 N ATOM 593 CA SER A 35 16.869 14.964 7.031 1.00 15.32 C ATOM 594 C SER A 35 15.997 13.834 6.492 1.00 43.04 C ATOM 595 O SER A 35 16.385 12.665 6.523 1.00 13.44 O ATOM 596 CB SER A 35 16.665 15.104 8.541 1.00 12.20 C ATOM 597 OG SER A 35 16.136 16.377 8.868 1.00 11.44 O ATOM 0 H SER A 35 16.192 16.948 6.974 1.00 15.03 H new ATOM 0 HA SER A 35 17.913 14.721 6.833 1.00 15.32 H new ATOM 0 HB2 SER A 35 15.990 14.325 8.894 1.00 12.20 H new ATOM 0 HB3 SER A 35 17.615 14.959 9.055 1.00 12.20 H new ATOM 0 HG SER A 35 16.013 16.441 9.838 1.00 11.44 H new ATOM 603 N THR A 36 14.816 14.191 5.996 1.00 65.54 N ATOM 604 CA THR A 36 13.889 13.208 5.450 1.00 55.10 C ATOM 605 C THR A 36 14.174 12.942 3.976 1.00 34.44 C ATOM 606 O THR A 36 14.159 11.795 3.528 1.00 4.13 O ATOM 607 CB THR A 36 12.427 13.670 5.603 1.00 1.11 C ATOM 608 OG1 THR A 36 12.120 13.873 6.987 1.00 73.51 O ATOM 609 CG2 THR A 36 11.471 12.646 5.011 1.00 71.05 C ATOM 0 H THR A 36 14.479 15.153 5.961 1.00 65.54 H new ATOM 0 HA THR A 36 14.034 12.288 6.017 1.00 55.10 H new ATOM 0 HB THR A 36 12.307 14.609 5.063 1.00 1.11 H new ATOM 0 HG1 THR A 36 12.296 14.807 7.227 1.00 73.51 H new ATOM 0 HG21 THR A 36 10.445 12.994 5.131 1.00 71.05 H new ATOM 0 HG22 THR A 36 11.688 12.516 3.951 1.00 71.05 H new ATOM 0 HG23 THR A 36 11.593 11.693 5.526 1.00 71.05 H new ATOM 617 N VAL A 37 14.433 14.008 3.226 1.00 21.03 N ATOM 618 CA VAL A 37 14.724 13.889 1.803 1.00 73.25 C ATOM 619 C VAL A 37 16.003 13.094 1.567 1.00 21.25 C ATOM 620 O VAL A 37 15.988 12.053 0.909 1.00 3.12 O ATOM 621 CB VAL A 37 14.863 15.272 1.140 1.00 2.44 C ATOM 622 CG1 VAL A 37 15.216 15.127 -0.332 1.00 61.20 C ATOM 623 CG2 VAL A 37 13.584 16.077 1.313 1.00 34.24 C ATOM 0 H VAL A 37 14.447 14.964 3.581 1.00 21.03 H new ATOM 0 HA VAL A 37 13.883 13.361 1.352 1.00 73.25 H new ATOM 0 HB VAL A 37 15.674 15.810 1.631 1.00 2.44 H new ATOM 0 HG11 VAL A 37 15.310 16.115 -0.783 1.00 61.20 H new ATOM 0 HG12 VAL A 37 16.161 14.593 -0.429 1.00 61.20 H new ATOM 0 HG13 VAL A 37 14.430 14.569 -0.841 1.00 61.20 H new ATOM 0 HG21 VAL A 37 13.700 17.051 0.838 1.00 34.24 H new ATOM 0 HG22 VAL A 37 12.753 15.544 0.850 1.00 34.24 H new ATOM 0 HG23 VAL A 37 13.380 16.213 2.375 1.00 34.24 H new ATOM 633 N HIS A 38 17.110 13.590 2.111 1.00 42.45 N ATOM 634 CA HIS A 38 18.400 12.926 1.961 1.00 72.51 C ATOM 635 C HIS A 38 18.298 11.451 2.339 1.00 1.04 C ATOM 636 O HIS A 38 19.052 10.617 1.838 1.00 73.34 O ATOM 637 CB HIS A 38 19.456 13.614 2.826 1.00 51.43 C ATOM 638 CG HIS A 38 20.592 14.191 2.038 1.00 20.32 C ATOM 639 ND1 HIS A 38 21.896 14.188 2.486 1.00 0.34 N ATOM 640 CD2 HIS A 38 20.614 14.789 0.824 1.00 22.40 C ATOM 641 CE1 HIS A 38 22.671 14.761 1.583 1.00 51.42 C ATOM 642 NE2 HIS A 38 21.917 15.134 0.564 1.00 45.10 N ATOM 0 H HIS A 38 17.139 14.449 2.660 1.00 42.45 H new ATOM 0 HA HIS A 38 18.697 12.996 0.915 1.00 72.51 H new ATOM 0 HB2 HIS A 38 18.981 14.410 3.400 1.00 51.43 H new ATOM 0 HB3 HIS A 38 19.851 12.895 3.544 1.00 51.43 H new ATOM 0 HD1 HIS A 38 22.213 13.803 3.376 1.00 0.34 H new ATOM 0 HD2 HIS A 38 19.765 14.962 0.180 1.00 22.40 H new ATOM 0 HE1 HIS A 38 23.739 14.901 1.664 1.00 51.42 H new ATOM 650 N LYS A 39 17.362 11.137 3.228 1.00 31.34 N ATOM 651 CA LYS A 39 17.160 9.763 3.675 1.00 42.33 C ATOM 652 C LYS A 39 16.803 8.857 2.501 1.00 31.21 C ATOM 653 O LYS A 39 17.365 7.772 2.349 1.00 44.34 O ATOM 654 CB LYS A 39 16.055 9.706 4.732 1.00 63.11 C ATOM 655 CG LYS A 39 16.032 8.406 5.518 1.00 41.24 C ATOM 656 CD LYS A 39 15.215 8.539 6.792 1.00 44.40 C ATOM 657 CE LYS A 39 14.058 7.553 6.818 1.00 53.33 C ATOM 658 NZ LYS A 39 13.255 7.672 8.067 1.00 44.34 N ATOM 0 H LYS A 39 16.731 11.816 3.654 1.00 31.34 H new ATOM 0 HA LYS A 39 18.093 9.409 4.114 1.00 42.33 H new ATOM 0 HB2 LYS A 39 16.183 10.538 5.425 1.00 63.11 H new ATOM 0 HB3 LYS A 39 15.090 9.843 4.244 1.00 63.11 H new ATOM 0 HG2 LYS A 39 15.615 7.612 4.898 1.00 41.24 H new ATOM 0 HG3 LYS A 39 17.052 8.113 5.768 1.00 41.24 H new ATOM 0 HD2 LYS A 39 15.857 8.371 7.656 1.00 44.40 H new ATOM 0 HD3 LYS A 39 14.830 9.555 6.874 1.00 44.40 H new ATOM 0 HE2 LYS A 39 13.415 7.725 5.955 1.00 53.33 H new ATOM 0 HE3 LYS A 39 14.444 6.538 6.730 1.00 53.33 H new ATOM 0 HZ1 LYS A 39 12.476 6.983 8.046 1.00 44.34 H new ATOM 0 HZ2 LYS A 39 13.862 7.483 8.890 1.00 44.34 H new ATOM 0 HZ3 LYS A 39 12.865 8.633 8.139 1.00 44.34 H new ATOM 672 N ASP A 40 15.867 9.309 1.674 1.00 35.43 N ATOM 673 CA ASP A 40 15.436 8.539 0.513 1.00 44.25 C ATOM 674 C ASP A 40 16.339 8.815 -0.686 1.00 72.42 C ATOM 675 O ASP A 40 16.601 7.925 -1.497 1.00 53.21 O ATOM 676 CB ASP A 40 13.986 8.873 0.162 1.00 75.12 C ATOM 677 CG ASP A 40 13.003 7.888 0.764 1.00 60.21 C ATOM 678 OD1 ASP A 40 13.047 7.683 1.995 1.00 23.52 O ATOM 679 OD2 ASP A 40 12.189 7.323 0.004 1.00 22.31 O ATOM 0 H ASP A 40 15.392 10.205 1.786 1.00 35.43 H new ATOM 0 HA ASP A 40 15.506 7.480 0.763 1.00 44.25 H new ATOM 0 HB2 ASP A 40 13.752 9.877 0.515 1.00 75.12 H new ATOM 0 HB3 ASP A 40 13.870 8.881 -0.922 1.00 75.12 H new ATOM 684 N LEU A 41 16.811 10.052 -0.793 1.00 33.22 N ATOM 685 CA LEU A 41 17.683 10.445 -1.894 1.00 5.45 C ATOM 686 C LEU A 41 18.974 9.632 -1.883 1.00 0.53 C ATOM 687 O LEU A 41 19.689 9.568 -2.883 1.00 42.13 O ATOM 688 CB LEU A 41 18.007 11.938 -1.805 1.00 72.03 C ATOM 689 CG LEU A 41 17.010 12.882 -2.479 1.00 32.41 C ATOM 690 CD1 LEU A 41 17.357 13.064 -3.948 1.00 52.32 C ATOM 691 CD2 LEU A 41 15.590 12.355 -2.326 1.00 2.44 C ATOM 0 H LEU A 41 16.605 10.800 -0.131 1.00 33.22 H new ATOM 0 HA LEU A 41 17.159 10.248 -2.829 1.00 5.45 H new ATOM 0 HB2 LEU A 41 18.081 12.211 -0.752 1.00 72.03 H new ATOM 0 HB3 LEU A 41 18.989 12.103 -2.247 1.00 72.03 H new ATOM 0 HG LEU A 41 17.071 13.854 -1.989 1.00 32.41 H new ATOM 0 HD11 LEU A 41 16.637 13.739 -4.411 1.00 52.32 H new ATOM 0 HD12 LEU A 41 18.358 13.486 -4.036 1.00 52.32 H new ATOM 0 HD13 LEU A 41 17.325 12.098 -4.452 1.00 52.32 H new ATOM 0 HD21 LEU A 41 14.894 13.039 -2.811 1.00 2.44 H new ATOM 0 HD22 LEU A 41 15.515 11.371 -2.790 1.00 2.44 H new ATOM 0 HD23 LEU A 41 15.343 12.277 -1.267 1.00 2.44 H new ATOM 703 N THR A 42 19.266 9.010 -0.745 1.00 1.23 N ATOM 704 CA THR A 42 20.469 8.200 -0.603 1.00 45.44 C ATOM 705 C THR A 42 20.122 6.741 -0.332 1.00 15.32 C ATOM 706 O THR A 42 21.006 5.911 -0.126 1.00 3.31 O ATOM 707 CB THR A 42 21.368 8.722 0.534 1.00 54.40 C ATOM 708 OG1 THR A 42 20.718 8.535 1.796 1.00 23.33 O ATOM 709 CG2 THR A 42 21.688 10.196 0.337 1.00 2.41 C ATOM 0 H THR A 42 18.685 9.052 0.092 1.00 1.23 H new ATOM 0 HA THR A 42 21.010 8.272 -1.546 1.00 45.44 H new ATOM 0 HB THR A 42 22.301 8.159 0.518 1.00 54.40 H new ATOM 0 HG1 THR A 42 19.897 9.070 1.824 1.00 23.33 H new ATOM 0 HG21 THR A 42 22.324 10.542 1.152 1.00 2.41 H new ATOM 0 HG22 THR A 42 22.207 10.332 -0.612 1.00 2.41 H new ATOM 0 HG23 THR A 42 20.762 10.771 0.329 1.00 2.41 H new ATOM 717 N GLU A 43 18.828 6.436 -0.334 1.00 33.13 N ATOM 718 CA GLU A 43 18.364 5.076 -0.087 1.00 63.51 C ATOM 719 C GLU A 43 17.519 4.569 -1.252 1.00 41.03 C ATOM 720 O GLU A 43 17.969 3.743 -2.046 1.00 61.23 O ATOM 721 CB GLU A 43 17.553 5.016 1.209 1.00 2.41 C ATOM 722 CG GLU A 43 18.407 5.078 2.465 1.00 71.24 C ATOM 723 CD GLU A 43 18.680 3.707 3.052 1.00 63.32 C ATOM 724 OE1 GLU A 43 19.487 2.959 2.460 1.00 31.23 O ATOM 725 OE2 GLU A 43 18.088 3.382 4.102 1.00 70.52 O ATOM 0 H GLU A 43 18.083 7.112 -0.504 1.00 33.13 H new ATOM 0 HA GLU A 43 19.240 4.434 0.011 1.00 63.51 H new ATOM 0 HB2 GLU A 43 16.843 5.843 1.222 1.00 2.41 H new ATOM 0 HB3 GLU A 43 16.971 4.095 1.221 1.00 2.41 H new ATOM 0 HG2 GLU A 43 19.354 5.565 2.232 1.00 71.24 H new ATOM 0 HG3 GLU A 43 17.906 5.695 3.211 1.00 71.24 H new ATOM 732 N ARG A 44 16.292 5.070 -1.347 1.00 51.32 N ATOM 733 CA ARG A 44 15.383 4.668 -2.413 1.00 74.14 C ATOM 734 C ARG A 44 15.855 5.204 -3.762 1.00 15.33 C ATOM 735 O ARG A 44 15.935 4.464 -4.743 1.00 32.11 O ATOM 736 CB ARG A 44 13.967 5.168 -2.121 1.00 33.20 C ATOM 737 CG ARG A 44 13.252 4.375 -1.039 1.00 22.22 C ATOM 738 CD ARG A 44 12.986 2.944 -1.480 1.00 42.23 C ATOM 739 NE ARG A 44 13.909 1.999 -0.858 1.00 33.35 N ATOM 740 CZ ARG A 44 13.754 0.680 -0.906 1.00 50.35 C ATOM 741 NH1 ARG A 44 12.719 0.154 -1.546 1.00 54.33 N ATOM 742 NH2 ARG A 44 14.636 -0.115 -0.315 1.00 43.00 N ATOM 0 H ARG A 44 15.905 5.755 -0.698 1.00 51.32 H new ATOM 0 HA ARG A 44 15.375 3.579 -2.457 1.00 74.14 H new ATOM 0 HB2 ARG A 44 14.015 6.215 -1.821 1.00 33.20 H new ATOM 0 HB3 ARG A 44 13.380 5.126 -3.038 1.00 33.20 H new ATOM 0 HG2 ARG A 44 13.855 4.371 -0.131 1.00 22.22 H new ATOM 0 HG3 ARG A 44 12.309 4.862 -0.793 1.00 22.22 H new ATOM 0 HD2 ARG A 44 11.962 2.671 -1.226 1.00 42.23 H new ATOM 0 HD3 ARG A 44 13.074 2.877 -2.564 1.00 42.23 H new ATOM 0 HE ARG A 44 14.717 2.372 -0.359 1.00 33.35 H new ATOM 0 HH11 ARG A 44 12.039 0.762 -2.003 1.00 54.33 H new ATOM 0 HH12 ARG A 44 12.602 -0.859 -1.581 1.00 54.33 H new ATOM 0 HH21 ARG A 44 15.434 0.286 0.177 1.00 43.00 H new ATOM 0 HH22 ARG A 44 14.516 -1.127 -0.353 1.00 43.00 H new ATOM 756 N LEU A 45 16.165 6.495 -3.803 1.00 40.20 N ATOM 757 CA LEU A 45 16.629 7.132 -5.031 1.00 72.30 C ATOM 758 C LEU A 45 17.662 6.261 -5.739 1.00 3.32 C ATOM 759 O LEU A 45 17.491 5.865 -6.892 1.00 21.33 O ATOM 760 CB LEU A 45 17.227 8.505 -4.722 1.00 43.13 C ATOM 761 CG LEU A 45 18.321 8.990 -5.675 1.00 13.32 C ATOM 762 CD1 LEU A 45 17.863 8.868 -7.120 1.00 33.22 C ATOM 763 CD2 LEU A 45 18.707 10.427 -5.356 1.00 12.32 C ATOM 0 H LEU A 45 16.104 7.121 -3.000 1.00 40.20 H new ATOM 0 HA LEU A 45 15.772 7.257 -5.693 1.00 72.30 H new ATOM 0 HB2 LEU A 45 16.421 9.239 -4.722 1.00 43.13 H new ATOM 0 HB3 LEU A 45 17.637 8.482 -3.712 1.00 43.13 H new ATOM 0 HG LEU A 45 19.200 8.360 -5.539 1.00 13.32 H new ATOM 0 HD11 LEU A 45 18.654 9.218 -7.783 1.00 33.22 H new ATOM 0 HD12 LEU A 45 17.637 7.825 -7.343 1.00 33.22 H new ATOM 0 HD13 LEU A 45 16.969 9.473 -7.271 1.00 33.22 H new ATOM 0 HD21 LEU A 45 19.486 10.756 -6.044 1.00 12.32 H new ATOM 0 HD22 LEU A 45 17.834 11.071 -5.463 1.00 12.32 H new ATOM 0 HD23 LEU A 45 19.078 10.486 -4.333 1.00 12.32 H new ATOM 775 N PRO A 46 18.761 5.954 -5.033 1.00 12.41 N ATOM 776 CA PRO A 46 19.842 5.125 -5.573 1.00 4.23 C ATOM 777 C PRO A 46 19.426 3.668 -5.744 1.00 11.34 C ATOM 778 O PRO A 46 19.913 2.975 -6.636 1.00 54.44 O ATOM 779 CB PRO A 46 20.943 5.246 -4.516 1.00 2.20 C ATOM 780 CG PRO A 46 20.222 5.566 -3.252 1.00 51.45 C ATOM 781 CD PRO A 46 19.031 6.393 -3.653 1.00 62.44 C ATOM 0 HA PRO A 46 20.148 5.451 -6.567 1.00 4.23 H new ATOM 0 HB2 PRO A 46 21.508 4.318 -4.425 1.00 2.20 H new ATOM 0 HB3 PRO A 46 21.655 6.029 -4.774 1.00 2.20 H new ATOM 0 HG2 PRO A 46 19.910 4.656 -2.739 1.00 51.45 H new ATOM 0 HG3 PRO A 46 20.865 6.115 -2.564 1.00 51.45 H new ATOM 0 HD2 PRO A 46 18.178 6.212 -2.999 1.00 62.44 H new ATOM 0 HD3 PRO A 46 19.248 7.460 -3.606 1.00 62.44 H new ATOM 789 N GLU A 47 18.522 3.211 -4.882 1.00 65.24 N ATOM 790 CA GLU A 47 18.042 1.835 -4.939 1.00 54.43 C ATOM 791 C GLU A 47 17.273 1.581 -6.233 1.00 15.14 C ATOM 792 O GLU A 47 17.435 0.540 -6.869 1.00 62.41 O ATOM 793 CB GLU A 47 17.148 1.534 -3.734 1.00 64.42 C ATOM 794 CG GLU A 47 17.894 0.915 -2.564 1.00 20.22 C ATOM 795 CD GLU A 47 17.982 -0.596 -2.661 1.00 52.10 C ATOM 796 OE1 GLU A 47 18.523 -1.094 -3.670 1.00 63.31 O ATOM 797 OE2 GLU A 47 17.509 -1.279 -1.729 1.00 62.52 O ATOM 0 H GLU A 47 18.108 3.772 -4.138 1.00 65.24 H new ATOM 0 HA GLU A 47 18.908 1.173 -4.915 1.00 54.43 H new ATOM 0 HB2 GLU A 47 16.674 2.458 -3.404 1.00 64.42 H new ATOM 0 HB3 GLU A 47 16.350 0.859 -4.044 1.00 64.42 H new ATOM 0 HG2 GLU A 47 18.900 1.331 -2.518 1.00 20.22 H new ATOM 0 HG3 GLU A 47 17.394 1.187 -1.634 1.00 20.22 H new ATOM 804 N ILE A 48 16.435 2.539 -6.614 1.00 13.31 N ATOM 805 CA ILE A 48 15.641 2.420 -7.831 1.00 21.24 C ATOM 806 C ILE A 48 16.376 3.015 -9.027 1.00 13.21 C ATOM 807 O ILE A 48 16.132 2.633 -10.171 1.00 11.54 O ATOM 808 CB ILE A 48 14.275 3.116 -7.683 1.00 3.14 C ATOM 809 CG1 ILE A 48 14.462 4.558 -7.206 1.00 25.23 C ATOM 810 CG2 ILE A 48 13.389 2.344 -6.717 1.00 30.21 C ATOM 811 CD1 ILE A 48 13.666 5.566 -8.003 1.00 52.44 C ATOM 0 H ILE A 48 16.288 3.406 -6.098 1.00 13.31 H new ATOM 0 HA ILE A 48 15.480 1.355 -8.000 1.00 21.24 H new ATOM 0 HB ILE A 48 13.786 3.136 -8.657 1.00 3.14 H new ATOM 0 HG12 ILE A 48 14.172 4.626 -6.157 1.00 25.23 H new ATOM 0 HG13 ILE A 48 15.519 4.816 -7.262 1.00 25.23 H new ATOM 0 HG21 ILE A 48 12.427 2.848 -6.623 1.00 30.21 H new ATOM 0 HG22 ILE A 48 13.233 1.333 -7.094 1.00 30.21 H new ATOM 0 HG23 ILE A 48 13.871 2.296 -5.740 1.00 30.21 H new ATOM 0 HD11 ILE A 48 13.847 6.566 -7.609 1.00 52.44 H new ATOM 0 HD12 ILE A 48 13.972 5.527 -9.048 1.00 52.44 H new ATOM 0 HD13 ILE A 48 12.604 5.333 -7.927 1.00 52.44 H new ATOM 823 N ASN A 49 17.278 3.952 -8.754 1.00 11.23 N ATOM 824 CA ASN A 49 18.050 4.600 -9.808 1.00 10.22 C ATOM 825 C ASN A 49 19.426 5.017 -9.297 1.00 32.24 C ATOM 826 O ASN A 49 19.587 6.048 -8.644 1.00 51.31 O ATOM 827 CB ASN A 49 17.300 5.823 -10.340 1.00 73.21 C ATOM 828 CG ASN A 49 17.349 5.918 -11.853 1.00 31.22 C ATOM 829 OD1 ASN A 49 18.418 6.077 -12.441 1.00 43.55 O ATOM 830 ND2 ASN A 49 16.188 5.820 -12.490 1.00 13.13 N ATOM 0 H ASN A 49 17.492 4.279 -7.812 1.00 11.23 H new ATOM 0 HA ASN A 49 18.184 3.883 -10.618 1.00 10.22 H new ATOM 0 HB2 ASN A 49 16.261 5.778 -10.015 1.00 73.21 H new ATOM 0 HB3 ASN A 49 17.731 6.726 -9.908 1.00 73.21 H new ATOM 0 HD21 ASN A 49 16.159 5.876 -13.508 1.00 13.13 H new ATOM 0 HD22 ASN A 49 15.326 5.689 -11.961 1.00 13.13 H new ATOM 837 N PRO A 50 20.443 4.197 -9.600 1.00 31.53 N ATOM 838 CA PRO A 50 21.823 4.459 -9.182 1.00 42.31 C ATOM 839 C PRO A 50 22.435 5.648 -9.916 1.00 15.12 C ATOM 840 O PRO A 50 23.193 6.424 -9.335 1.00 45.54 O ATOM 841 CB PRO A 50 22.557 3.168 -9.551 1.00 65.03 C ATOM 842 CG PRO A 50 21.753 2.578 -10.657 1.00 72.34 C ATOM 843 CD PRO A 50 20.324 2.950 -10.374 1.00 33.30 C ATOM 0 HA PRO A 50 21.887 4.714 -8.124 1.00 42.31 H new ATOM 0 HB2 PRO A 50 23.579 3.371 -9.870 1.00 65.03 H new ATOM 0 HB3 PRO A 50 22.617 2.490 -8.700 1.00 65.03 H new ATOM 0 HG2 PRO A 50 22.074 2.967 -11.623 1.00 72.34 H new ATOM 0 HG3 PRO A 50 21.875 1.495 -10.693 1.00 72.34 H new ATOM 0 HD2 PRO A 50 19.758 3.100 -11.293 1.00 33.30 H new ATOM 0 HD3 PRO A 50 19.811 2.173 -9.807 1.00 33.30 H new ATOM 851 N ASP A 51 22.099 5.785 -11.194 1.00 31.31 N ATOM 852 CA ASP A 51 22.614 6.880 -12.007 1.00 11.42 C ATOM 853 C ASP A 51 22.059 8.219 -11.529 1.00 73.33 C ATOM 854 O ASP A 51 22.807 9.176 -11.324 1.00 33.53 O ATOM 855 CB ASP A 51 22.259 6.663 -13.478 1.00 73.44 C ATOM 856 CG ASP A 51 23.173 5.658 -14.152 1.00 41.52 C ATOM 857 OD1 ASP A 51 23.301 4.530 -13.632 1.00 63.03 O ATOM 858 OD2 ASP A 51 23.760 6.001 -15.200 1.00 32.32 O ATOM 0 H ASP A 51 21.472 5.151 -11.689 1.00 31.31 H new ATOM 0 HA ASP A 51 23.699 6.898 -11.903 1.00 11.42 H new ATOM 0 HB2 ASP A 51 21.227 6.319 -13.553 1.00 73.44 H new ATOM 0 HB3 ASP A 51 22.317 7.614 -14.007 1.00 73.44 H new ATOM 863 N LEU A 52 20.743 8.279 -11.356 1.00 1.52 N ATOM 864 CA LEU A 52 20.087 9.501 -10.903 1.00 54.24 C ATOM 865 C LEU A 52 20.552 9.882 -9.502 1.00 2.42 C ATOM 866 O LEU A 52 20.530 11.054 -9.127 1.00 42.41 O ATOM 867 CB LEU A 52 18.567 9.323 -10.918 1.00 25.55 C ATOM 868 CG LEU A 52 17.796 10.213 -11.893 1.00 21.43 C ATOM 869 CD1 LEU A 52 16.359 9.735 -12.028 1.00 54.04 C ATOM 870 CD2 LEU A 52 17.837 11.664 -11.437 1.00 21.21 C ATOM 0 H LEU A 52 20.110 7.497 -11.522 1.00 1.52 H new ATOM 0 HA LEU A 52 20.359 10.305 -11.587 1.00 54.24 H new ATOM 0 HB2 LEU A 52 18.346 8.282 -11.155 1.00 25.55 H new ATOM 0 HB3 LEU A 52 18.190 9.508 -9.912 1.00 25.55 H new ATOM 0 HG LEU A 52 18.273 10.147 -12.871 1.00 21.43 H new ATOM 0 HD11 LEU A 52 15.825 10.380 -12.726 1.00 54.04 H new ATOM 0 HD12 LEU A 52 16.350 8.711 -12.401 1.00 54.04 H new ATOM 0 HD13 LEU A 52 15.871 9.771 -11.054 1.00 54.04 H new ATOM 0 HD21 LEU A 52 17.283 12.283 -12.143 1.00 21.21 H new ATOM 0 HD22 LEU A 52 17.385 11.748 -10.449 1.00 21.21 H new ATOM 0 HD23 LEU A 52 18.872 12.002 -11.392 1.00 21.21 H new ATOM 882 N ALA A 53 20.975 8.885 -8.733 1.00 23.35 N ATOM 883 CA ALA A 53 21.450 9.116 -7.374 1.00 64.01 C ATOM 884 C ALA A 53 22.744 9.923 -7.375 1.00 1.21 C ATOM 885 O ALA A 53 23.050 10.624 -6.411 1.00 53.45 O ATOM 886 CB ALA A 53 21.653 7.792 -6.653 1.00 71.51 C ATOM 0 H ALA A 53 20.999 7.909 -9.028 1.00 23.35 H new ATOM 0 HA ALA A 53 20.692 9.693 -6.844 1.00 64.01 H new ATOM 0 HB1 ALA A 53 22.008 7.980 -5.640 1.00 71.51 H new ATOM 0 HB2 ALA A 53 20.707 7.251 -6.612 1.00 71.51 H new ATOM 0 HB3 ALA A 53 22.390 7.194 -7.190 1.00 71.51 H new ATOM 892 N ASN A 54 23.501 9.818 -8.463 1.00 11.45 N ATOM 893 CA ASN A 54 24.763 10.538 -8.588 1.00 1.14 C ATOM 894 C ASN A 54 24.523 12.039 -8.719 1.00 72.05 C ATOM 895 O ASN A 54 25.312 12.848 -8.233 1.00 53.41 O ATOM 896 CB ASN A 54 25.547 10.028 -9.798 1.00 65.41 C ATOM 897 CG ASN A 54 26.732 9.170 -9.399 1.00 65.51 C ATOM 898 OD1 ASN A 54 27.700 9.660 -8.816 1.00 73.30 O ATOM 899 ND2 ASN A 54 26.662 7.881 -9.713 1.00 1.13 N ATOM 0 H ASN A 54 23.262 9.242 -9.270 1.00 11.45 H new ATOM 0 HA ASN A 54 25.346 10.359 -7.684 1.00 1.14 H new ATOM 0 HB2 ASN A 54 24.883 9.450 -10.440 1.00 65.41 H new ATOM 0 HB3 ASN A 54 25.898 10.877 -10.384 1.00 65.41 H new ATOM 0 HD21 ASN A 54 27.430 7.255 -9.471 1.00 1.13 H new ATOM 0 HD22 ASN A 54 25.841 7.518 -10.196 1.00 1.13 H new ATOM 906 N GLU A 55 23.428 12.402 -9.380 1.00 74.30 N ATOM 907 CA GLU A 55 23.084 13.805 -9.576 1.00 10.35 C ATOM 908 C GLU A 55 23.049 14.547 -8.243 1.00 14.53 C ATOM 909 O GLU A 55 23.762 15.532 -8.049 1.00 15.25 O ATOM 910 CB GLU A 55 21.730 13.929 -10.277 1.00 34.23 C ATOM 911 CG GLU A 55 21.606 13.062 -11.518 1.00 75.51 C ATOM 912 CD GLU A 55 20.371 13.388 -12.337 1.00 24.44 C ATOM 913 OE1 GLU A 55 19.523 14.164 -11.849 1.00 65.21 O ATOM 914 OE2 GLU A 55 20.254 12.866 -13.465 1.00 41.24 O ATOM 0 H GLU A 55 22.764 11.744 -9.789 1.00 74.30 H new ATOM 0 HA GLU A 55 23.852 14.256 -10.204 1.00 10.35 H new ATOM 0 HB2 GLU A 55 20.941 13.659 -9.575 1.00 34.23 H new ATOM 0 HB3 GLU A 55 21.568 14.971 -10.554 1.00 34.23 H new ATOM 0 HG2 GLU A 55 22.493 13.192 -12.138 1.00 75.51 H new ATOM 0 HG3 GLU A 55 21.575 12.013 -11.222 1.00 75.51 H new ATOM 921 N VAL A 56 22.213 14.068 -7.327 1.00 31.11 N ATOM 922 CA VAL A 56 22.084 14.684 -6.012 1.00 10.40 C ATOM 923 C VAL A 56 23.395 14.608 -5.238 1.00 63.11 C ATOM 924 O VAL A 56 23.665 15.435 -4.367 1.00 54.42 O ATOM 925 CB VAL A 56 20.972 14.013 -5.184 1.00 1.20 C ATOM 926 CG1 VAL A 56 21.319 12.559 -4.904 1.00 74.32 C ATOM 927 CG2 VAL A 56 20.741 14.774 -3.887 1.00 63.10 C ATOM 0 H VAL A 56 21.615 13.255 -7.472 1.00 31.11 H new ATOM 0 HA VAL A 56 21.823 15.729 -6.177 1.00 10.40 H new ATOM 0 HB VAL A 56 20.048 14.036 -5.762 1.00 1.20 H new ATOM 0 HG11 VAL A 56 20.522 12.101 -4.318 1.00 74.32 H new ATOM 0 HG12 VAL A 56 21.430 12.023 -5.847 1.00 74.32 H new ATOM 0 HG13 VAL A 56 22.254 12.509 -4.346 1.00 74.32 H new ATOM 0 HG21 VAL A 56 19.952 14.286 -3.314 1.00 63.10 H new ATOM 0 HG22 VAL A 56 21.661 14.784 -3.302 1.00 63.10 H new ATOM 0 HG23 VAL A 56 20.444 15.798 -4.114 1.00 63.10 H new ATOM 937 N LYS A 57 24.209 13.609 -5.562 1.00 24.01 N ATOM 938 CA LYS A 57 25.495 13.424 -4.899 1.00 70.43 C ATOM 939 C LYS A 57 26.528 14.414 -5.428 1.00 75.14 C ATOM 940 O LYS A 57 27.454 14.798 -4.715 1.00 53.22 O ATOM 941 CB LYS A 57 25.995 11.992 -5.103 1.00 21.43 C ATOM 942 CG LYS A 57 27.462 11.805 -4.755 1.00 72.54 C ATOM 943 CD LYS A 57 27.743 12.170 -3.308 1.00 21.24 C ATOM 944 CE LYS A 57 27.098 11.181 -2.348 1.00 44.30 C ATOM 945 NZ LYS A 57 27.752 9.845 -2.406 1.00 63.34 N ATOM 0 H LYS A 57 24.001 12.915 -6.280 1.00 24.01 H new ATOM 0 HA LYS A 57 25.356 13.606 -3.833 1.00 70.43 H new ATOM 0 HB2 LYS A 57 25.396 11.316 -4.492 1.00 21.43 H new ATOM 0 HB3 LYS A 57 25.837 11.706 -6.143 1.00 21.43 H new ATOM 0 HG2 LYS A 57 27.750 10.769 -4.932 1.00 72.54 H new ATOM 0 HG3 LYS A 57 28.074 12.422 -5.412 1.00 72.54 H new ATOM 0 HD2 LYS A 57 28.820 12.192 -3.140 1.00 21.24 H new ATOM 0 HD3 LYS A 57 27.368 13.173 -3.105 1.00 21.24 H new ATOM 0 HE2 LYS A 57 27.157 11.570 -1.332 1.00 44.30 H new ATOM 0 HE3 LYS A 57 26.040 11.078 -2.589 1.00 44.30 H new ATOM 0 HZ1 LYS A 57 27.427 9.265 -1.606 1.00 63.34 H new ATOM 0 HZ2 LYS A 57 27.502 9.375 -3.299 1.00 63.34 H new ATOM 0 HZ3 LYS A 57 28.784 9.961 -2.353 1.00 63.34 H new ATOM 959 N GLU A 58 26.360 14.823 -6.682 1.00 2.40 N ATOM 960 CA GLU A 58 27.278 15.770 -7.305 1.00 24.32 C ATOM 961 C GLU A 58 27.187 17.138 -6.634 1.00 64.54 C ATOM 962 O GLU A 58 28.194 17.693 -6.194 1.00 24.53 O ATOM 963 CB GLU A 58 26.975 15.901 -8.799 1.00 22.52 C ATOM 964 CG GLU A 58 27.495 14.739 -9.629 1.00 43.44 C ATOM 965 CD GLU A 58 27.782 15.132 -11.066 1.00 21.13 C ATOM 966 OE1 GLU A 58 26.815 15.345 -11.826 1.00 53.03 O ATOM 967 OE2 GLU A 58 28.973 15.226 -11.429 1.00 70.43 O ATOM 0 H GLU A 58 25.598 14.514 -7.286 1.00 2.40 H new ATOM 0 HA GLU A 58 28.292 15.390 -7.180 1.00 24.32 H new ATOM 0 HB2 GLU A 58 25.897 15.981 -8.937 1.00 22.52 H new ATOM 0 HB3 GLU A 58 27.414 16.827 -9.170 1.00 22.52 H new ATOM 0 HG2 GLU A 58 28.406 14.351 -9.173 1.00 43.44 H new ATOM 0 HG3 GLU A 58 26.763 13.932 -9.616 1.00 43.44 H new ATOM 974 N ILE A 59 25.974 17.675 -6.562 1.00 63.31 N ATOM 975 CA ILE A 59 25.751 18.977 -5.946 1.00 24.45 C ATOM 976 C ILE A 59 26.255 18.997 -4.506 1.00 70.33 C ATOM 977 O ILE A 59 26.671 20.038 -3.997 1.00 43.10 O ATOM 978 CB ILE A 59 24.260 19.359 -5.961 1.00 34.10 C ATOM 979 CG1 ILE A 59 23.448 18.366 -5.126 1.00 53.41 C ATOM 980 CG2 ILE A 59 23.740 19.407 -7.390 1.00 71.11 C ATOM 981 CD1 ILE A 59 21.979 18.716 -5.032 1.00 31.31 C ATOM 0 H ILE A 59 25.131 17.229 -6.923 1.00 63.31 H new ATOM 0 HA ILE A 59 26.310 19.705 -6.535 1.00 24.45 H new ATOM 0 HB ILE A 59 24.150 20.350 -5.521 1.00 34.10 H new ATOM 0 HG12 ILE A 59 23.549 17.371 -5.559 1.00 53.41 H new ATOM 0 HG13 ILE A 59 23.867 18.320 -4.121 1.00 53.41 H new ATOM 0 HG21 ILE A 59 22.684 19.678 -7.384 1.00 71.11 H new ATOM 0 HG22 ILE A 59 24.302 20.149 -7.957 1.00 71.11 H new ATOM 0 HG23 ILE A 59 23.860 18.428 -7.854 1.00 71.11 H new ATOM 0 HD11 ILE A 59 21.465 17.970 -4.426 1.00 31.31 H new ATOM 0 HD12 ILE A 59 21.868 19.697 -4.571 1.00 31.31 H new ATOM 0 HD13 ILE A 59 21.544 18.733 -6.031 1.00 31.31 H new ATOM 993 N LEU A 60 26.216 17.839 -3.856 1.00 11.34 N ATOM 994 CA LEU A 60 26.670 17.722 -2.474 1.00 43.43 C ATOM 995 C LEU A 60 28.154 18.056 -2.359 1.00 63.22 C ATOM 996 O LEU A 60 28.559 18.847 -1.507 1.00 33.21 O ATOM 997 CB LEU A 60 26.411 16.309 -1.949 1.00 42.23 C ATOM 998 CG LEU A 60 24.987 16.020 -1.474 1.00 53.32 C ATOM 999 CD1 LEU A 60 24.865 14.582 -0.997 1.00 33.44 C ATOM 1000 CD2 LEU A 60 24.587 16.987 -0.369 1.00 32.10 C ATOM 0 H LEU A 60 25.875 16.968 -4.263 1.00 11.34 H new ATOM 0 HA LEU A 60 26.108 18.435 -1.871 1.00 43.43 H new ATOM 0 HB2 LEU A 60 26.661 15.599 -2.737 1.00 42.23 H new ATOM 0 HB3 LEU A 60 27.094 16.120 -1.121 1.00 42.23 H new ATOM 0 HG LEU A 60 24.308 16.160 -2.315 1.00 53.32 H new ATOM 0 HD11 LEU A 60 23.845 14.395 -0.663 1.00 33.44 H new ATOM 0 HD12 LEU A 60 25.108 13.905 -1.816 1.00 33.44 H new ATOM 0 HD13 LEU A 60 25.554 14.413 -0.170 1.00 33.44 H new ATOM 0 HD21 LEU A 60 23.571 16.767 -0.043 1.00 32.10 H new ATOM 0 HD22 LEU A 60 25.270 16.879 0.474 1.00 32.10 H new ATOM 0 HD23 LEU A 60 24.634 18.009 -0.745 1.00 32.10 H new ATOM 1012 N ASP A 61 28.960 17.449 -3.224 1.00 2.15 N ATOM 1013 CA ASP A 61 30.400 17.684 -3.221 1.00 75.04 C ATOM 1014 C ASP A 61 30.708 19.170 -3.375 1.00 52.10 C ATOM 1015 O ASP A 61 31.754 19.646 -2.933 1.00 53.31 O ATOM 1016 CB ASP A 61 31.069 16.893 -4.346 1.00 74.43 C ATOM 1017 CG ASP A 61 32.558 16.718 -4.124 1.00 61.44 C ATOM 1018 OD1 ASP A 61 32.937 16.009 -3.168 1.00 14.10 O ATOM 1019 OD2 ASP A 61 33.345 17.288 -4.908 1.00 2.43 O ATOM 0 H ASP A 61 28.641 16.791 -3.935 1.00 2.15 H new ATOM 0 HA ASP A 61 30.797 17.346 -2.264 1.00 75.04 H new ATOM 0 HB2 ASP A 61 30.599 15.913 -4.426 1.00 74.43 H new ATOM 0 HB3 ASP A 61 30.904 17.405 -5.294 1.00 74.43 H new ATOM 1024 N TYR A 62 29.792 19.897 -4.005 1.00 34.12 N ATOM 1025 CA TYR A 62 29.967 21.328 -4.220 1.00 42.31 C ATOM 1026 C TYR A 62 29.479 22.125 -3.014 1.00 30.42 C ATOM 1027 O TYR A 62 29.940 23.239 -2.762 1.00 71.45 O ATOM 1028 CB TYR A 62 29.216 21.772 -5.476 1.00 52.33 C ATOM 1029 CG TYR A 62 28.956 23.261 -5.532 1.00 61.33 C ATOM 1030 CD1 TYR A 62 30.001 24.163 -5.691 1.00 32.21 C ATOM 1031 CD2 TYR A 62 27.666 23.765 -5.427 1.00 75.14 C ATOM 1032 CE1 TYR A 62 29.768 25.524 -5.742 1.00 20.53 C ATOM 1033 CE2 TYR A 62 27.423 25.124 -5.479 1.00 2.14 C ATOM 1034 CZ TYR A 62 28.478 25.999 -5.635 1.00 53.24 C ATOM 1035 OH TYR A 62 28.242 27.354 -5.687 1.00 34.10 O ATOM 0 H TYR A 62 28.920 19.518 -4.376 1.00 34.12 H new ATOM 0 HA TYR A 62 31.031 21.521 -4.353 1.00 42.31 H new ATOM 0 HB2 TYR A 62 29.790 21.479 -6.355 1.00 52.33 H new ATOM 0 HB3 TYR A 62 28.264 21.243 -5.526 1.00 52.33 H new ATOM 0 HD1 TYR A 62 31.012 23.794 -5.776 1.00 32.21 H new ATOM 0 HD2 TYR A 62 26.838 23.082 -5.303 1.00 75.14 H new ATOM 0 HE1 TYR A 62 30.592 26.212 -5.865 1.00 20.53 H new ATOM 0 HE2 TYR A 62 26.413 25.499 -5.398 1.00 2.14 H new ATOM 0 HH TYR A 62 27.281 27.522 -5.598 1.00 34.10 H new ATOM 1045 N HIS A 63 28.543 21.544 -2.270 1.00 13.44 N ATOM 1046 CA HIS A 63 27.991 22.198 -1.088 1.00 5.11 C ATOM 1047 C HIS A 63 29.007 22.208 0.051 1.00 52.01 C ATOM 1048 O HIS A 63 28.941 23.049 0.948 1.00 65.20 O ATOM 1049 CB HIS A 63 26.711 21.493 -0.639 1.00 64.43 C ATOM 1050 CG HIS A 63 25.645 21.461 -1.690 1.00 51.44 C ATOM 1051 ND1 HIS A 63 24.682 20.476 -1.757 1.00 1.44 N ATOM 1052 CD2 HIS A 63 25.392 22.303 -2.720 1.00 73.30 C ATOM 1053 CE1 HIS A 63 23.884 20.712 -2.782 1.00 51.35 C ATOM 1054 NE2 HIS A 63 24.293 21.815 -3.383 1.00 54.25 N ATOM 0 H HIS A 63 28.151 20.623 -2.464 1.00 13.44 H new ATOM 0 HA HIS A 63 27.755 23.229 -1.351 1.00 5.11 H new ATOM 0 HB2 HIS A 63 26.952 20.471 -0.347 1.00 64.43 H new ATOM 0 HB3 HIS A 63 26.321 21.994 0.247 1.00 64.43 H new ATOM 0 HD2 HIS A 63 25.950 23.192 -2.973 1.00 73.30 H new ATOM 0 HE1 HIS A 63 23.040 20.106 -3.079 1.00 51.35 H new ATOM 0 HE2 HIS A 63 23.862 22.236 -4.206 1.00 54.25 H new ATOM 1062 N LYS A 64 29.945 21.268 0.009 1.00 35.32 N ATOM 1063 CA LYS A 64 30.974 21.167 1.036 1.00 5.44 C ATOM 1064 C LYS A 64 32.131 22.117 0.741 1.00 23.25 C ATOM 1065 O LYS A 64 32.837 22.552 1.651 1.00 23.53 O ATOM 1066 CB LYS A 64 31.492 19.730 1.131 1.00 54.14 C ATOM 1067 CG LYS A 64 30.960 18.970 2.334 1.00 45.23 C ATOM 1068 CD LYS A 64 32.082 18.559 3.273 1.00 12.21 C ATOM 1069 CE LYS A 64 32.825 17.338 2.754 1.00 74.14 C ATOM 1070 NZ LYS A 64 33.257 16.439 3.860 1.00 51.52 N ATOM 0 H LYS A 64 30.013 20.565 -0.726 1.00 35.32 H new ATOM 0 HA LYS A 64 30.528 21.449 1.990 1.00 5.44 H new ATOM 0 HB2 LYS A 64 31.218 19.193 0.223 1.00 54.14 H new ATOM 0 HB3 LYS A 64 32.581 19.747 1.175 1.00 54.14 H new ATOM 0 HG2 LYS A 64 30.244 19.592 2.871 1.00 45.23 H new ATOM 0 HG3 LYS A 64 30.423 18.083 1.997 1.00 45.23 H new ATOM 0 HD2 LYS A 64 32.780 19.388 3.392 1.00 12.21 H new ATOM 0 HD3 LYS A 64 31.672 18.344 4.260 1.00 12.21 H new ATOM 0 HE2 LYS A 64 32.182 16.786 2.068 1.00 74.14 H new ATOM 0 HE3 LYS A 64 33.698 17.659 2.185 1.00 74.14 H new ATOM 0 HZ1 LYS A 64 33.760 15.619 3.465 1.00 51.52 H new ATOM 0 HZ2 LYS A 64 33.891 16.957 4.501 1.00 51.52 H new ATOM 0 HZ3 LYS A 64 32.423 16.112 4.388 1.00 51.52 H new ATOM 1084 N SER A 65 32.319 22.436 -0.535 1.00 73.53 N ATOM 1085 CA SER A 65 33.392 23.332 -0.950 1.00 34.21 C ATOM 1086 C SER A 65 33.190 24.727 -0.367 1.00 13.04 C ATOM 1087 O SER A 65 34.080 25.274 0.285 1.00 31.33 O ATOM 1088 CB SER A 65 33.458 23.410 -2.476 1.00 65.53 C ATOM 1089 OG SER A 65 32.986 22.212 -3.069 1.00 41.32 O ATOM 0 H SER A 65 31.742 22.087 -1.300 1.00 73.53 H new ATOM 0 HA SER A 65 34.333 22.932 -0.573 1.00 34.21 H new ATOM 0 HB2 SER A 65 32.862 24.252 -2.826 1.00 65.53 H new ATOM 0 HB3 SER A 65 34.485 23.595 -2.790 1.00 65.53 H new ATOM 0 HG SER A 65 33.037 22.288 -4.045 1.00 41.32 H new ATOM 1095 N ILE A 66 32.014 25.297 -0.606 1.00 54.02 N ATOM 1096 CA ILE A 66 31.694 26.628 -0.104 1.00 72.44 C ATOM 1097 C ILE A 66 31.173 26.565 1.327 1.00 33.43 C ATOM 1098 O ILE A 66 30.909 27.594 1.949 1.00 41.34 O ATOM 1099 CB ILE A 66 30.645 27.326 -0.990 1.00 43.31 C ATOM 1100 CG1 ILE A 66 29.234 26.901 -0.580 1.00 21.23 C ATOM 1101 CG2 ILE A 66 30.895 27.009 -2.457 1.00 33.31 C ATOM 1102 CD1 ILE A 66 28.984 25.416 -0.725 1.00 43.12 C ATOM 0 H ILE A 66 31.267 24.858 -1.144 1.00 54.02 H new ATOM 0 HA ILE A 66 32.619 27.205 -0.126 1.00 72.44 H new ATOM 0 HB ILE A 66 30.733 28.404 -0.851 1.00 43.31 H new ATOM 0 HG12 ILE A 66 29.063 27.190 0.457 1.00 21.23 H new ATOM 0 HG13 ILE A 66 28.509 27.444 -1.186 1.00 21.23 H new ATOM 0 HG21 ILE A 66 30.146 27.509 -3.070 1.00 33.31 H new ATOM 0 HG22 ILE A 66 31.888 27.358 -2.741 1.00 33.31 H new ATOM 0 HG23 ILE A 66 30.831 25.932 -2.613 1.00 33.31 H new ATOM 0 HD11 ILE A 66 27.964 25.187 -0.417 1.00 43.12 H new ATOM 0 HD12 ILE A 66 29.123 25.124 -1.766 1.00 43.12 H new ATOM 0 HD13 ILE A 66 29.685 24.866 -0.097 1.00 43.12 H new ATOM 1114 N ARG A 67 31.028 25.349 1.846 1.00 43.43 N ATOM 1115 CA ARG A 67 30.539 25.152 3.205 1.00 64.22 C ATOM 1116 C ARG A 67 31.317 26.016 4.193 1.00 20.34 C ATOM 1117 O ARG A 67 30.743 26.581 5.125 1.00 44.53 O ATOM 1118 CB ARG A 67 30.651 23.678 3.601 1.00 44.33 C ATOM 1119 CG ARG A 67 30.278 23.407 5.049 1.00 71.43 C ATOM 1120 CD ARG A 67 31.493 23.477 5.960 1.00 22.51 C ATOM 1121 NE ARG A 67 31.760 22.199 6.615 1.00 24.20 N ATOM 1122 CZ ARG A 67 32.687 22.033 7.552 1.00 3.00 C ATOM 1123 NH1 ARG A 67 33.431 23.059 7.942 1.00 22.22 N ATOM 1124 NH2 ARG A 67 32.871 20.839 8.101 1.00 1.12 N ATOM 0 H ARG A 67 31.242 24.486 1.346 1.00 43.43 H new ATOM 0 HA ARG A 67 29.491 25.451 3.235 1.00 64.22 H new ATOM 0 HB2 ARG A 67 30.006 23.086 2.952 1.00 44.33 H new ATOM 0 HB3 ARG A 67 31.673 23.341 3.429 1.00 44.33 H new ATOM 0 HG2 ARG A 67 29.534 24.134 5.376 1.00 71.43 H new ATOM 0 HG3 ARG A 67 29.818 22.422 5.129 1.00 71.43 H new ATOM 0 HD2 ARG A 67 32.365 23.776 5.379 1.00 22.51 H new ATOM 0 HD3 ARG A 67 31.335 24.246 6.716 1.00 22.51 H new ATOM 0 HE ARG A 67 31.204 21.390 6.338 1.00 24.20 H new ATOM 0 HH11 ARG A 67 33.292 23.978 7.522 1.00 22.22 H new ATOM 0 HH12 ARG A 67 34.142 22.929 8.662 1.00 22.22 H new ATOM 0 HH21 ARG A 67 32.300 20.048 7.804 1.00 1.12 H new ATOM 0 HH22 ARG A 67 33.583 20.713 8.820 1.00 1.12 H new ATOM 1138 N HIS A 68 32.626 26.112 3.985 1.00 43.34 N ATOM 1139 CA HIS A 68 33.483 26.907 4.857 1.00 10.33 C ATOM 1140 C HIS A 68 32.929 28.319 5.024 1.00 74.14 C ATOM 1141 O HIS A 68 33.075 28.934 6.081 1.00 51.13 O ATOM 1142 CB HIS A 68 34.904 26.968 4.295 1.00 34.32 C ATOM 1143 CG HIS A 68 35.874 26.088 5.023 1.00 55.52 C ATOM 1144 ND1 HIS A 68 36.086 26.166 6.383 1.00 13.21 N ATOM 1145 CD2 HIS A 68 36.689 25.107 4.572 1.00 45.22 C ATOM 1146 CE1 HIS A 68 36.991 25.272 6.737 1.00 4.11 C ATOM 1147 NE2 HIS A 68 37.374 24.616 5.656 1.00 34.24 N ATOM 0 H HIS A 68 33.117 25.649 3.220 1.00 43.34 H new ATOM 0 HA HIS A 68 33.508 26.427 5.835 1.00 10.33 H new ATOM 0 HB2 HIS A 68 34.883 26.680 3.244 1.00 34.32 H new ATOM 0 HB3 HIS A 68 35.258 27.998 4.336 1.00 34.32 H new ATOM 0 HD2 HIS A 68 36.783 24.772 3.550 1.00 45.22 H new ATOM 0 HE1 HIS A 68 37.356 25.105 7.740 1.00 4.11 H new ATOM 0 HE2 HIS A 68 38.066 23.867 5.631 1.00 34.24 H new ATOM 1155 N LEU A 69 32.293 28.827 3.974 1.00 52.02 N ATOM 1156 CA LEU A 69 31.717 30.167 4.003 1.00 33.00 C ATOM 1157 C LEU A 69 30.368 30.164 4.715 1.00 54.34 C ATOM 1158 O LEU A 69 29.995 31.142 5.363 1.00 13.11 O ATOM 1159 CB LEU A 69 31.555 30.705 2.580 1.00 13.03 C ATOM 1160 CG LEU A 69 32.825 30.747 1.730 1.00 11.30 C ATOM 1161 CD1 LEU A 69 32.482 30.636 0.253 1.00 41.55 C ATOM 1162 CD2 LEU A 69 33.608 32.023 2.004 1.00 54.34 C ATOM 0 H LEU A 69 32.163 28.331 3.092 1.00 52.02 H new ATOM 0 HA LEU A 69 32.397 30.816 4.555 1.00 33.00 H new ATOM 0 HB2 LEU A 69 30.816 30.092 2.063 1.00 13.03 H new ATOM 0 HB3 LEU A 69 31.148 31.714 2.639 1.00 13.03 H new ATOM 0 HG LEU A 69 33.450 29.896 2.001 1.00 11.30 H new ATOM 0 HD11 LEU A 69 33.398 30.668 -0.337 1.00 41.55 H new ATOM 0 HD12 LEU A 69 31.965 29.694 0.069 1.00 41.55 H new ATOM 0 HD13 LEU A 69 31.837 31.466 -0.034 1.00 41.55 H new ATOM 0 HD21 LEU A 69 34.509 32.036 1.390 1.00 54.34 H new ATOM 0 HD22 LEU A 69 32.991 32.888 1.761 1.00 54.34 H new ATOM 0 HD23 LEU A 69 33.886 32.060 3.057 1.00 54.34 H new ATOM 1174 N ARG A 70 29.641 29.058 4.590 1.00 1.43 N ATOM 1175 CA ARG A 70 28.334 28.928 5.222 1.00 13.02 C ATOM 1176 C ARG A 70 28.477 28.673 6.720 1.00 72.42 C ATOM 1177 O ARG A 70 27.575 28.975 7.500 1.00 5.54 O ATOM 1178 CB ARG A 70 27.541 27.792 4.574 1.00 61.34 C ATOM 1179 CG ARG A 70 27.598 27.799 3.055 1.00 55.33 C ATOM 1180 CD ARG A 70 26.261 27.404 2.446 1.00 43.24 C ATOM 1181 NE ARG A 70 25.188 28.311 2.845 1.00 44.02 N ATOM 1182 CZ ARG A 70 25.063 29.550 2.382 1.00 73.33 C ATOM 1183 NH1 ARG A 70 25.938 30.026 1.508 1.00 43.33 N ATOM 1184 NH2 ARG A 70 24.059 30.314 2.793 1.00 40.33 N ATOM 0 H ARG A 70 29.935 28.240 4.057 1.00 1.43 H new ATOM 0 HA ARG A 70 27.795 29.865 5.080 1.00 13.02 H new ATOM 0 HB2 ARG A 70 27.923 26.839 4.939 1.00 61.34 H new ATOM 0 HB3 ARG A 70 26.500 27.860 4.890 1.00 61.34 H new ATOM 0 HG2 ARG A 70 27.879 28.792 2.705 1.00 55.33 H new ATOM 0 HG3 ARG A 70 28.372 27.110 2.716 1.00 55.33 H new ATOM 0 HD2 ARG A 70 26.345 27.398 1.359 1.00 43.24 H new ATOM 0 HD3 ARG A 70 26.009 26.388 2.752 1.00 43.24 H new ATOM 0 HE ARG A 70 24.497 27.975 3.516 1.00 44.02 H new ATOM 0 HH11 ARG A 70 26.710 29.441 1.189 1.00 43.33 H new ATOM 0 HH12 ARG A 70 25.839 30.978 1.154 1.00 43.33 H new ATOM 0 HH21 ARG A 70 23.383 29.950 3.465 1.00 40.33 H new ATOM 0 HH22 ARG A 70 23.963 31.265 2.437 1.00 40.33 H new