USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 639 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 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 30 GLN : amide:sc= -0.0733 K(o=-0.073,f=-0.92) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.54) USER MOD Single : A 43 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.84) USER MOD Single : A 44 TYR OH : rot -115:sc= 0.701 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -6.73! C(o=-6.7!,f=-6.7!) USER MOD Single : A 57 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.09 K(o=-2.1,f=-8.7!) USER MOD Single : A 64 MET CE :methyl -137:sc= -1.25 (180deg=-5.17!) USER MOD Single : A 67 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.8) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00273 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 89 SER OG : rot 92:sc= 0.523 USER MOD Single : A 92 LYS NZ :NH3+ 140:sc= -0.14 (180deg=-2.33!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 11.398 -3.322 0.668 1.00 0.00 N ATOM 2 CA MET A 21 10.810 -2.280 -0.167 1.00 52.33 C ATOM 3 C MET A 21 10.003 -2.890 -1.308 1.00 63.31 C ATOM 4 O MET A 21 10.551 -3.580 -2.168 1.00 71.25 O ATOM 5 CB MET A 21 11.904 -1.371 -0.729 1.00 2.52 C ATOM 6 CG MET A 21 11.386 -0.031 -1.224 1.00 60.21 C ATOM 7 SD MET A 21 12.704 1.171 -1.487 1.00 13.12 S ATOM 8 CE MET A 21 13.155 0.814 -3.184 1.00 51.14 C ATOM 0 HA MET A 21 10.138 -1.687 0.453 1.00 52.33 H new ATOM 0 HB2 MET A 21 12.654 -1.199 0.043 1.00 2.52 H new ATOM 0 HB3 MET A 21 12.404 -1.884 -1.550 1.00 2.52 H new ATOM 0 HG2 MET A 21 10.843 -0.179 -2.157 1.00 60.21 H new ATOM 0 HG3 MET A 21 10.675 0.368 -0.501 1.00 60.21 H new ATOM 0 HE1 MET A 21 13.962 1.479 -3.494 1.00 51.14 H new ATOM 0 HE2 MET A 21 13.487 -0.221 -3.262 1.00 51.14 H new ATOM 0 HE3 MET A 21 12.291 0.967 -3.830 1.00 51.14 H new ATOM 18 N ILE A 22 8.700 -2.629 -1.310 1.00 72.20 N ATOM 19 CA ILE A 22 7.820 -3.153 -2.347 1.00 74.31 C ATOM 20 C ILE A 22 7.188 -2.022 -3.153 1.00 3.25 C ATOM 21 O ILE A 22 6.841 -2.197 -4.321 1.00 53.33 O ATOM 22 CB ILE A 22 6.702 -4.027 -1.748 1.00 25.52 C ATOM 23 CG1 ILE A 22 5.865 -4.658 -2.863 1.00 4.05 C ATOM 24 CG2 ILE A 22 5.822 -3.201 -0.821 1.00 31.33 C ATOM 25 CD1 ILE A 22 5.288 -6.006 -2.495 1.00 51.51 C ATOM 0 H ILE A 22 8.231 -2.059 -0.606 1.00 72.20 H new ATOM 0 HA ILE A 22 8.436 -3.766 -3.005 1.00 74.31 H new ATOM 0 HB ILE A 22 7.160 -4.827 -1.166 1.00 25.52 H new ATOM 0 HG12 ILE A 22 5.051 -3.982 -3.122 1.00 4.05 H new ATOM 0 HG13 ILE A 22 6.484 -4.767 -3.753 1.00 4.05 H new ATOM 0 HG21 ILE A 22 5.037 -3.833 -0.406 1.00 31.33 H new ATOM 0 HG22 ILE A 22 6.427 -2.795 -0.011 1.00 31.33 H new ATOM 0 HG23 ILE A 22 5.370 -2.383 -1.382 1.00 31.33 H new ATOM 0 HD11 ILE A 22 4.707 -6.394 -3.332 1.00 51.51 H new ATOM 0 HD12 ILE A 22 6.098 -6.698 -2.264 1.00 51.51 H new ATOM 0 HD13 ILE A 22 4.642 -5.900 -1.623 1.00 51.51 H new ATOM 37 N SER A 23 7.043 -0.862 -2.522 1.00 14.52 N ATOM 38 CA SER A 23 6.452 0.298 -3.179 1.00 24.41 C ATOM 39 C SER A 23 7.493 1.392 -3.392 1.00 72.30 C ATOM 40 O SER A 23 8.523 1.423 -2.719 1.00 61.10 O ATOM 41 CB SER A 23 5.287 0.841 -2.350 1.00 15.33 C ATOM 42 OG SER A 23 4.774 2.037 -2.913 1.00 3.43 O ATOM 0 H SER A 23 7.327 -0.700 -1.556 1.00 14.52 H new ATOM 0 HA SER A 23 6.079 -0.018 -4.153 1.00 24.41 H new ATOM 0 HB2 SER A 23 4.496 0.093 -2.295 1.00 15.33 H new ATOM 0 HB3 SER A 23 5.620 1.029 -1.329 1.00 15.33 H new ATOM 0 HG SER A 23 4.029 2.363 -2.366 1.00 3.43 H new ATOM 48 N GLY A 24 7.217 2.288 -4.335 1.00 24.14 N ATOM 49 CA GLY A 24 8.139 3.371 -4.621 1.00 51.04 C ATOM 50 C GLY A 24 7.427 4.674 -4.926 1.00 72.32 C ATOM 51 O GLY A 24 6.726 5.222 -4.074 1.00 12.03 O ATOM 0 H GLY A 24 6.372 2.283 -4.906 1.00 24.14 H new ATOM 0 HA2 GLY A 24 8.802 3.514 -3.768 1.00 51.04 H new ATOM 0 HA3 GLY A 24 8.766 3.096 -5.469 1.00 51.04 H new ATOM 55 N LEU A 25 7.605 5.172 -6.146 1.00 31.11 N ATOM 56 CA LEU A 25 6.974 6.420 -6.562 1.00 21.41 C ATOM 57 C LEU A 25 5.557 6.172 -7.066 1.00 34.34 C ATOM 58 O LEU A 25 5.317 5.247 -7.842 1.00 44.25 O ATOM 59 CB LEU A 25 7.805 7.095 -7.654 1.00 14.10 C ATOM 60 CG LEU A 25 8.560 8.359 -7.239 1.00 4.43 C ATOM 61 CD1 LEU A 25 9.822 8.000 -6.469 1.00 51.30 C ATOM 62 CD2 LEU A 25 8.899 9.202 -8.460 1.00 33.24 C ATOM 0 H LEU A 25 8.181 4.731 -6.863 1.00 31.11 H new ATOM 0 HA LEU A 25 6.921 7.078 -5.695 1.00 21.41 H new ATOM 0 HB2 LEU A 25 8.528 6.372 -8.032 1.00 14.10 H new ATOM 0 HB3 LEU A 25 7.143 7.347 -8.483 1.00 14.10 H new ATOM 0 HG LEU A 25 7.915 8.946 -6.584 1.00 4.43 H new ATOM 0 HD11 LEU A 25 10.345 8.912 -6.183 1.00 51.30 H new ATOM 0 HD12 LEU A 25 9.555 7.439 -5.574 1.00 51.30 H new ATOM 0 HD13 LEU A 25 10.472 7.392 -7.098 1.00 51.30 H new ATOM 0 HD21 LEU A 25 9.436 10.097 -8.146 1.00 33.24 H new ATOM 0 HD22 LEU A 25 9.525 8.623 -9.140 1.00 33.24 H new ATOM 0 HD23 LEU A 25 7.980 9.490 -8.970 1.00 33.24 H new ATOM 74 N ARG A 26 4.621 7.004 -6.621 1.00 43.30 N ATOM 75 CA ARG A 26 3.227 6.876 -7.028 1.00 70.54 C ATOM 76 C ARG A 26 2.741 8.151 -7.711 1.00 71.23 C ATOM 77 O ARG A 26 2.561 8.187 -8.929 1.00 53.32 O ATOM 78 CB ARG A 26 2.346 6.567 -5.816 1.00 60.41 C ATOM 79 CG ARG A 26 2.670 5.239 -5.151 1.00 35.33 C ATOM 80 CD ARG A 26 2.353 4.065 -6.066 1.00 33.14 C ATOM 81 NE ARG A 26 0.960 4.072 -6.502 1.00 43.10 N ATOM 82 CZ ARG A 26 0.477 3.254 -7.431 1.00 51.43 C ATOM 83 NH1 ARG A 26 1.270 2.369 -8.017 1.00 64.12 N ATOM 84 NH2 ARG A 26 -0.803 3.321 -7.774 1.00 24.53 N ATOM 0 H ARG A 26 4.803 7.775 -5.978 1.00 43.30 H new ATOM 0 HA ARG A 26 3.156 6.053 -7.739 1.00 70.54 H new ATOM 0 HB2 ARG A 26 2.456 7.367 -5.084 1.00 60.41 H new ATOM 0 HB3 ARG A 26 1.302 6.562 -6.128 1.00 60.41 H new ATOM 0 HG2 ARG A 26 3.725 5.215 -4.879 1.00 35.33 H new ATOM 0 HG3 ARG A 26 2.100 5.145 -4.226 1.00 35.33 H new ATOM 0 HD2 ARG A 26 3.006 4.098 -6.938 1.00 33.14 H new ATOM 0 HD3 ARG A 26 2.565 3.132 -5.545 1.00 33.14 H new ATOM 0 HE ARG A 26 0.323 4.741 -6.070 1.00 43.10 H new ATOM 0 HH11 ARG A 26 2.254 2.314 -7.755 1.00 64.12 H new ATOM 0 HH12 ARG A 26 0.896 1.742 -8.730 1.00 64.12 H new ATOM 0 HH21 ARG A 26 -1.417 4.001 -7.324 1.00 24.53 H new ATOM 0 HH22 ARG A 26 -1.173 2.693 -8.487 1.00 24.53 H new ATOM 98 N THR A 27 2.529 9.197 -6.918 1.00 74.20 N ATOM 99 CA THR A 27 2.061 10.473 -7.445 1.00 3.15 C ATOM 100 C THR A 27 2.334 11.607 -6.463 1.00 11.44 C ATOM 101 O THR A 27 2.548 11.372 -5.273 1.00 13.24 O ATOM 102 CB THR A 27 0.554 10.433 -7.760 1.00 64.45 C ATOM 103 OG1 THR A 27 -0.063 9.346 -7.062 1.00 75.14 O ATOM 104 CG2 THR A 27 0.318 10.282 -9.256 1.00 62.34 C ATOM 0 H THR A 27 2.674 9.185 -5.908 1.00 74.20 H new ATOM 0 HA THR A 27 2.612 10.655 -8.368 1.00 3.15 H new ATOM 0 HB THR A 27 0.111 11.373 -7.432 1.00 64.45 H new ATOM 0 HG1 THR A 27 -1.021 9.328 -7.266 1.00 75.14 H new ATOM 0 HG21 THR A 27 -0.753 10.256 -9.455 1.00 62.34 H new ATOM 0 HG22 THR A 27 0.764 11.126 -9.782 1.00 62.34 H new ATOM 0 HG23 THR A 27 0.774 9.355 -9.605 1.00 62.34 H new ATOM 112 N LEU A 28 2.323 12.835 -6.968 1.00 61.05 N ATOM 113 CA LEU A 28 2.567 14.007 -6.134 1.00 24.32 C ATOM 114 C LEU A 28 2.030 15.270 -6.798 1.00 71.42 C ATOM 115 O LEU A 28 1.761 15.284 -7.999 1.00 42.34 O ATOM 116 CB LEU A 28 4.065 14.158 -5.860 1.00 1.20 C ATOM 117 CG LEU A 28 4.555 13.645 -4.505 1.00 31.40 C ATOM 118 CD1 LEU A 28 5.851 12.867 -4.666 1.00 43.04 C ATOM 119 CD2 LEU A 28 4.741 14.800 -3.532 1.00 12.14 C ATOM 0 H LEU A 28 2.148 13.046 -7.951 1.00 61.05 H new ATOM 0 HA LEU A 28 2.043 13.866 -5.189 1.00 24.32 H new ATOM 0 HB2 LEU A 28 4.612 13.634 -6.644 1.00 1.20 H new ATOM 0 HB3 LEU A 28 4.324 15.214 -5.942 1.00 1.20 H new ATOM 0 HG LEU A 28 3.800 12.973 -4.098 1.00 31.40 H new ATOM 0 HD11 LEU A 28 6.184 12.510 -3.692 1.00 43.04 H new ATOM 0 HD12 LEU A 28 5.685 12.016 -5.327 1.00 43.04 H new ATOM 0 HD13 LEU A 28 6.614 13.516 -5.095 1.00 43.04 H new ATOM 0 HD21 LEU A 28 5.090 14.416 -2.574 1.00 12.14 H new ATOM 0 HD22 LEU A 28 5.476 15.498 -3.932 1.00 12.14 H new ATOM 0 HD23 LEU A 28 3.790 15.315 -3.392 1.00 12.14 H new ATOM 131 N GLU A 29 1.880 16.329 -6.010 1.00 71.21 N ATOM 132 CA GLU A 29 1.377 17.598 -6.523 1.00 54.42 C ATOM 133 C GLU A 29 -0.023 17.432 -7.106 1.00 50.35 C ATOM 134 O GLU A 29 -0.367 18.058 -8.108 1.00 23.30 O ATOM 135 CB GLU A 29 2.323 18.154 -7.589 1.00 64.24 C ATOM 136 CG GLU A 29 2.619 19.636 -7.428 1.00 53.41 C ATOM 137 CD GLU A 29 2.039 20.471 -8.552 1.00 22.11 C ATOM 138 OE1 GLU A 29 0.834 20.324 -8.842 1.00 0.41 O ATOM 139 OE2 GLU A 29 2.793 21.274 -9.143 1.00 22.55 O ATOM 0 H GLU A 29 2.099 16.334 -5.014 1.00 71.21 H new ATOM 0 HA GLU A 29 1.325 18.301 -5.692 1.00 54.42 H new ATOM 0 HB2 GLU A 29 3.261 17.599 -7.555 1.00 64.24 H new ATOM 0 HB3 GLU A 29 1.887 17.984 -8.574 1.00 64.24 H new ATOM 0 HG2 GLU A 29 2.215 19.982 -6.477 1.00 53.41 H new ATOM 0 HG3 GLU A 29 3.698 19.785 -7.389 1.00 53.41 H new ATOM 146 N GLN A 30 -0.825 16.583 -6.471 1.00 11.21 N ATOM 147 CA GLN A 30 -2.187 16.333 -6.928 1.00 53.41 C ATOM 148 C GLN A 30 -3.204 16.820 -5.900 1.00 1.24 C ATOM 149 O GLN A 30 -3.173 16.410 -4.740 1.00 70.32 O ATOM 150 CB GLN A 30 -2.392 14.842 -7.198 1.00 14.42 C ATOM 151 CG GLN A 30 -2.162 13.965 -5.978 1.00 43.14 C ATOM 152 CD GLN A 30 -2.185 12.486 -6.309 1.00 14.25 C ATOM 153 OE1 GLN A 30 -2.504 12.095 -7.433 1.00 75.34 O ATOM 154 NE2 GLN A 30 -1.847 11.654 -5.331 1.00 41.52 N ATOM 0 H GLN A 30 -0.555 16.057 -5.640 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.340 16.887 -7.854 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -3.407 14.684 -7.563 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.715 14.529 -7.993 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -1.201 14.218 -5.529 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -2.928 14.178 -5.232 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -1.590 12.021 -4.415 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -1.845 10.647 -5.496 1.00 41.52 H new ATOM 163 N SER A 31 -4.104 17.696 -6.334 1.00 15.30 N ATOM 164 CA SER A 31 -5.128 18.242 -5.451 1.00 20.14 C ATOM 165 C SER A 31 -6.125 17.163 -5.042 1.00 72.11 C ATOM 166 O SER A 31 -6.032 16.017 -5.484 1.00 2.02 O ATOM 167 CB SER A 31 -5.861 19.396 -6.136 1.00 15.13 C ATOM 168 OG SER A 31 -5.528 20.638 -5.540 1.00 35.43 O ATOM 0 H SER A 31 -4.145 18.043 -7.292 1.00 15.30 H new ATOM 0 HA SER A 31 -4.635 18.616 -4.553 1.00 20.14 H new ATOM 0 HB2 SER A 31 -5.604 19.417 -7.195 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.937 19.236 -6.073 1.00 15.13 H new ATOM 0 HG SER A 31 -6.008 21.360 -5.997 1.00 35.43 H new ATOM 174 N VAL A 32 -7.079 17.535 -4.194 1.00 21.10 N ATOM 175 CA VAL A 32 -8.095 16.600 -3.727 1.00 5.34 C ATOM 176 C VAL A 32 -8.886 16.021 -4.893 1.00 4.34 C ATOM 177 O VAL A 32 -8.973 14.804 -5.055 1.00 0.24 O ATOM 178 CB VAL A 32 -9.069 17.277 -2.745 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.156 16.303 -2.315 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.319 17.816 -1.537 1.00 3.55 C ATOM 0 H VAL A 32 -7.169 18.478 -3.816 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.572 15.794 -3.212 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.545 18.116 -3.253 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -10.835 16.799 -1.621 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.712 15.969 -3.191 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.700 15.443 -1.825 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.023 18.291 -0.854 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -7.815 16.996 -1.026 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.581 18.548 -1.864 1.00 3.55 H new ATOM 190 N GLY A 33 -9.464 16.901 -5.705 1.00 71.41 N ATOM 191 CA GLY A 33 -10.241 16.457 -6.847 1.00 1.03 C ATOM 192 C GLY A 33 -9.482 15.478 -7.721 1.00 4.54 C ATOM 193 O GLY A 33 -9.877 14.320 -7.854 1.00 23.33 O ATOM 0 H GLY A 33 -9.408 17.913 -5.592 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.161 15.989 -6.497 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.531 17.322 -7.443 1.00 1.03 H new ATOM 197 N GLU A 34 -8.390 15.945 -8.319 1.00 14.20 N ATOM 198 CA GLU A 34 -7.576 15.102 -9.187 1.00 2.12 C ATOM 199 C GLU A 34 -7.206 13.797 -8.486 1.00 53.45 C ATOM 200 O GLU A 34 -7.352 12.714 -9.051 1.00 72.43 O ATOM 201 CB GLU A 34 -6.307 15.843 -9.611 1.00 30.02 C ATOM 202 CG GLU A 34 -5.328 14.979 -10.389 1.00 30.44 C ATOM 203 CD GLU A 34 -5.884 14.524 -11.724 1.00 41.34 C ATOM 204 OE1 GLU A 34 -6.738 15.240 -12.286 1.00 3.31 O ATOM 205 OE2 GLU A 34 -5.465 13.450 -12.205 1.00 13.54 O ATOM 0 H GLU A 34 -8.049 16.901 -8.218 1.00 14.20 H new ATOM 0 HA GLU A 34 -8.163 14.865 -10.074 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.585 16.702 -10.222 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.809 16.231 -8.722 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.408 15.539 -10.555 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -5.066 14.105 -9.792 1.00 30.44 H new ATOM 212 N TRP A 35 -6.725 13.911 -7.253 1.00 34.44 N ATOM 213 CA TRP A 35 -6.332 12.742 -6.475 1.00 74.51 C ATOM 214 C TRP A 35 -7.452 11.708 -6.444 1.00 42.13 C ATOM 215 O TRP A 35 -7.252 10.550 -6.815 1.00 42.12 O ATOM 216 CB TRP A 35 -5.962 13.154 -5.049 1.00 72.25 C ATOM 217 CG TRP A 35 -5.729 11.988 -4.136 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.124 10.805 -4.454 1.00 34.01 C ATOM 219 CD2 TRP A 35 -6.099 11.893 -2.756 1.00 43.01 C ATOM 220 NE1 TRP A 35 -5.096 9.981 -3.355 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.686 10.625 -2.300 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.735 12.756 -1.860 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.893 10.203 -0.990 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.939 12.335 -0.560 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.518 11.068 -0.134 1.00 53.30 C ATOM 0 H TRP A 35 -6.598 14.801 -6.771 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.461 12.293 -6.954 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -5.063 13.769 -5.078 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.759 13.774 -4.639 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.726 10.554 -5.426 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.700 9.041 -3.329 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -7.061 13.735 -2.178 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.571 9.226 -0.660 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.431 12.994 0.140 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.690 10.769 0.889 1.00 53.30 H new ATOM 236 N LEU A 36 -8.631 12.131 -6.001 1.00 32.21 N ATOM 237 CA LEU A 36 -9.784 11.241 -5.922 1.00 63.31 C ATOM 238 C LEU A 36 -10.222 10.793 -7.314 1.00 40.04 C ATOM 239 O LEU A 36 -10.770 9.704 -7.482 1.00 0.32 O ATOM 240 CB LEU A 36 -10.944 11.937 -5.209 1.00 64.11 C ATOM 241 CG LEU A 36 -10.671 12.396 -3.776 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.579 13.558 -3.405 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.856 11.241 -2.802 1.00 61.13 C ATOM 0 H LEU A 36 -8.814 13.085 -5.691 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.493 10.359 -5.351 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.238 12.806 -5.798 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.796 11.258 -5.196 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.637 12.736 -3.715 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.370 13.871 -2.382 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.398 14.392 -4.083 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.620 13.245 -3.483 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.658 11.586 -1.787 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.879 10.871 -2.866 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.164 10.438 -3.054 1.00 61.13 H new ATOM 255 N GLU A 37 -9.976 11.642 -8.307 1.00 14.23 N ATOM 256 CA GLU A 37 -10.345 11.333 -9.684 1.00 44.15 C ATOM 257 C GLU A 37 -9.513 10.173 -10.223 1.00 3.12 C ATOM 258 O GLU A 37 -9.958 9.428 -11.094 1.00 3.23 O ATOM 259 CB GLU A 37 -10.161 12.564 -10.573 1.00 0.32 C ATOM 260 CG GLU A 37 -11.461 13.102 -11.145 1.00 25.55 C ATOM 261 CD GLU A 37 -11.501 13.043 -12.660 1.00 54.15 C ATOM 262 OE1 GLU A 37 -11.486 11.923 -13.212 1.00 72.55 O ATOM 263 OE2 GLU A 37 -11.547 14.119 -13.294 1.00 22.41 O ATOM 0 H GLU A 37 -9.523 12.548 -8.184 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.395 11.040 -9.695 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.676 13.350 -9.994 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.490 12.312 -11.394 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -12.296 12.529 -10.741 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.596 14.134 -10.822 1.00 25.55 H new ATOM 270 N SER A 38 -8.300 10.029 -9.698 1.00 41.52 N ATOM 271 CA SER A 38 -7.403 8.963 -10.128 1.00 43.50 C ATOM 272 C SER A 38 -7.882 7.608 -9.614 1.00 44.21 C ATOM 273 O SER A 38 -7.534 6.564 -10.167 1.00 32.52 O ATOM 274 CB SER A 38 -5.980 9.235 -9.634 1.00 63.23 C ATOM 275 OG SER A 38 -5.307 8.025 -9.330 1.00 32.02 O ATOM 0 H SER A 38 -7.916 10.637 -8.975 1.00 41.52 H new ATOM 0 HA SER A 38 -7.404 8.939 -11.218 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.425 9.782 -10.396 1.00 63.23 H new ATOM 0 HB3 SER A 38 -6.014 9.869 -8.748 1.00 63.23 H new ATOM 0 HG SER A 38 -4.400 8.225 -9.018 1.00 32.02 H new ATOM 281 N ILE A 39 -8.681 7.635 -8.553 1.00 24.35 N ATOM 282 CA ILE A 39 -9.209 6.409 -7.966 1.00 60.42 C ATOM 283 C ILE A 39 -10.682 6.223 -8.313 1.00 1.15 C ATOM 284 O ILE A 39 -11.215 5.118 -8.232 1.00 3.33 O ATOM 285 CB ILE A 39 -9.050 6.407 -6.433 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.865 7.543 -5.812 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.582 6.531 -6.054 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.928 7.486 -4.302 1.00 5.35 C ATOM 0 H ILE A 39 -8.977 8.490 -8.083 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.633 5.584 -8.385 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.427 5.461 -6.044 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.432 8.497 -6.114 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.879 7.512 -6.211 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.485 6.528 -4.968 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -7.027 5.690 -6.470 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -7.181 7.463 -6.452 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.522 8.321 -3.931 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.388 6.548 -3.992 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.919 7.548 -3.893 1.00 5.35 H new ATOM 300 N GLY A 40 -11.335 7.314 -8.702 1.00 71.22 N ATOM 301 CA GLY A 40 -12.741 7.250 -9.057 1.00 52.30 C ATOM 302 C GLY A 40 -13.649 7.630 -7.904 1.00 71.13 C ATOM 303 O GLY A 40 -14.817 7.239 -7.869 1.00 33.14 O ATOM 0 H GLY A 40 -10.916 8.241 -8.778 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.930 7.916 -9.899 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.983 6.240 -9.388 1.00 52.30 H new ATOM 307 N LEU A 41 -13.113 8.392 -6.957 1.00 43.40 N ATOM 308 CA LEU A 41 -13.882 8.824 -5.796 1.00 52.32 C ATOM 309 C LEU A 41 -14.031 10.341 -5.774 1.00 52.54 C ATOM 310 O LEU A 41 -14.426 10.921 -4.764 1.00 74.32 O ATOM 311 CB LEU A 41 -13.209 8.347 -4.508 1.00 71.33 C ATOM 312 CG LEU A 41 -14.145 8.017 -3.344 1.00 41.42 C ATOM 313 CD1 LEU A 41 -14.992 6.797 -3.670 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.348 7.789 -2.068 1.00 14.14 C ATOM 0 H LEU A 41 -12.148 8.723 -6.971 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.876 8.382 -5.865 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.620 7.459 -4.737 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -12.511 9.117 -4.180 1.00 71.33 H new ATOM 0 HG LEU A 41 -14.811 8.865 -3.186 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -15.652 6.577 -2.831 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -15.590 6.996 -4.559 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -14.342 5.942 -3.854 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -14.030 7.555 -1.250 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -12.658 6.958 -2.214 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -12.785 8.690 -1.825 1.00 14.14 H new ATOM 326 N GLN A 42 -13.713 10.978 -6.897 1.00 45.22 N ATOM 327 CA GLN A 42 -13.812 12.429 -7.007 1.00 5.41 C ATOM 328 C GLN A 42 -15.218 12.906 -6.659 1.00 10.21 C ATOM 329 O GLN A 42 -15.415 14.060 -6.280 1.00 21.41 O ATOM 330 CB GLN A 42 -13.442 12.881 -8.420 1.00 41.24 C ATOM 331 CG GLN A 42 -12.951 14.318 -8.490 1.00 13.20 C ATOM 332 CD GLN A 42 -13.811 15.185 -9.389 1.00 4.11 C ATOM 333 OE1 GLN A 42 -13.301 15.917 -10.237 1.00 55.42 O ATOM 334 NE2 GLN A 42 -15.125 15.106 -9.206 1.00 33.04 N ATOM 0 H GLN A 42 -13.385 10.512 -7.743 1.00 45.22 H new ATOM 0 HA GLN A 42 -13.112 12.871 -6.298 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.668 12.222 -8.812 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.312 12.771 -9.067 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.938 14.743 -7.486 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.924 14.330 -8.855 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -15.504 14.485 -8.491 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -15.755 15.666 -9.781 1.00 33.04 H new ATOM 343 N GLN A 43 -16.192 12.010 -6.792 1.00 23.01 N ATOM 344 CA GLN A 43 -17.580 12.341 -6.494 1.00 42.31 C ATOM 345 C GLN A 43 -17.753 12.673 -5.015 1.00 31.15 C ATOM 346 O GLN A 43 -18.570 13.519 -4.651 1.00 2.15 O ATOM 347 CB GLN A 43 -18.497 11.180 -6.879 1.00 30.54 C ATOM 348 CG GLN A 43 -18.196 9.892 -6.130 1.00 13.14 C ATOM 349 CD GLN A 43 -18.034 8.702 -7.056 1.00 4.30 C ATOM 350 OE1 GLN A 43 -18.633 8.651 -8.130 1.00 75.43 O ATOM 351 NE2 GLN A 43 -17.219 7.737 -6.643 1.00 32.55 N ATOM 0 H GLN A 43 -16.045 11.050 -7.104 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.853 13.219 -7.080 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.531 11.467 -6.690 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.408 10.997 -7.950 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.284 10.020 -5.547 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -19.001 9.691 -5.423 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -16.743 7.821 -5.745 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -17.070 6.912 -7.224 1.00 32.55 H new ATOM 360 N TYR A 44 -16.982 12.002 -4.168 1.00 53.33 N ATOM 361 CA TYR A 44 -17.053 12.223 -2.729 1.00 21.31 C ATOM 362 C TYR A 44 -16.119 13.354 -2.306 1.00 21.55 C ATOM 363 O TYR A 44 -15.927 13.601 -1.115 1.00 1.25 O ATOM 364 CB TYR A 44 -16.695 10.941 -1.976 1.00 62.50 C ATOM 365 CG TYR A 44 -17.855 10.344 -1.213 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.641 11.128 -0.378 1.00 40.54 C ATOM 367 CD2 TYR A 44 -18.164 8.993 -1.326 1.00 74.53 C ATOM 368 CE1 TYR A 44 -19.701 10.587 0.321 1.00 14.14 C ATOM 369 CE2 TYR A 44 -19.223 8.444 -0.630 1.00 74.14 C ATOM 370 CZ TYR A 44 -19.990 9.244 0.192 1.00 22.33 C ATOM 371 OH TYR A 44 -21.045 8.698 0.886 1.00 21.24 O ATOM 0 H TYR A 44 -16.300 11.300 -4.453 1.00 53.33 H new ATOM 0 HA TYR A 44 -18.075 12.508 -2.480 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.321 10.204 -2.687 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.883 11.153 -1.280 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.419 12.180 -0.274 1.00 40.54 H new ATOM 0 HD2 TYR A 44 -17.566 8.363 -1.968 1.00 74.53 H new ATOM 0 HE1 TYR A 44 -20.301 11.212 0.966 1.00 14.14 H new ATOM 0 HE2 TYR A 44 -19.450 7.393 -0.729 1.00 74.14 H new ATOM 0 HH TYR A 44 -20.707 8.050 1.539 1.00 21.24 H new ATOM 381 N GLU A 45 -15.543 14.036 -3.289 1.00 23.43 N ATOM 382 CA GLU A 45 -14.629 15.140 -3.019 1.00 45.35 C ATOM 383 C GLU A 45 -15.321 16.234 -2.210 1.00 61.44 C ATOM 384 O GLU A 45 -14.758 16.761 -1.250 1.00 44.32 O ATOM 385 CB GLU A 45 -14.094 15.721 -4.330 1.00 32.34 C ATOM 386 CG GLU A 45 -13.332 17.025 -4.152 1.00 42.53 C ATOM 387 CD GLU A 45 -12.782 17.562 -5.459 1.00 53.30 C ATOM 388 OE1 GLU A 45 -13.240 17.107 -6.527 1.00 31.32 O ATOM 389 OE2 GLU A 45 -11.891 18.436 -5.411 1.00 53.20 O ATOM 0 H GLU A 45 -15.692 13.844 -4.280 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.795 14.752 -2.434 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.439 14.989 -4.802 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -14.928 15.888 -5.011 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -13.992 17.769 -3.707 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.510 16.869 -3.453 1.00 42.53 H new ATOM 396 N SER A 46 -16.544 16.569 -2.605 1.00 74.45 N ATOM 397 CA SER A 46 -17.313 17.602 -1.920 1.00 53.41 C ATOM 398 C SER A 46 -17.317 17.367 -0.413 1.00 2.32 C ATOM 399 O SER A 46 -17.128 18.296 0.373 1.00 40.42 O ATOM 400 CB SER A 46 -18.749 17.633 -2.446 1.00 21.35 C ATOM 401 OG SER A 46 -19.122 16.377 -2.985 1.00 71.21 O ATOM 0 H SER A 46 -17.025 16.140 -3.396 1.00 74.45 H new ATOM 0 HA SER A 46 -16.840 18.564 -2.119 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.430 17.902 -1.638 1.00 21.35 H new ATOM 0 HB3 SER A 46 -18.843 18.403 -3.212 1.00 21.35 H new ATOM 0 HG SER A 46 -20.044 16.423 -3.313 1.00 71.21 H new ATOM 407 N LYS A 47 -17.533 16.117 -0.016 1.00 52.31 N ATOM 408 CA LYS A 47 -17.561 15.757 1.396 1.00 32.00 C ATOM 409 C LYS A 47 -16.187 15.941 2.032 1.00 25.31 C ATOM 410 O LYS A 47 -16.075 16.391 3.174 1.00 3.24 O ATOM 411 CB LYS A 47 -18.023 14.308 1.565 1.00 45.22 C ATOM 412 CG LYS A 47 -19.491 14.095 1.238 1.00 41.21 C ATOM 413 CD LYS A 47 -20.387 14.960 2.109 1.00 40.34 C ATOM 414 CE LYS A 47 -21.774 14.353 2.257 1.00 24.10 C ATOM 415 NZ LYS A 47 -22.481 14.876 3.459 1.00 44.25 N ATOM 0 H LYS A 47 -17.691 15.336 -0.653 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.266 16.418 1.900 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.420 13.666 0.923 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.839 13.994 2.593 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -19.668 14.328 0.188 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.748 13.045 1.380 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -19.934 15.079 3.093 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -20.469 15.956 1.673 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -22.363 14.570 1.366 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -21.691 13.268 2.328 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -23.422 14.439 3.526 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -21.932 14.647 4.312 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -22.583 15.908 3.380 1.00 44.25 H new ATOM 429 N LEU A 48 -15.144 15.593 1.287 1.00 0.24 N ATOM 430 CA LEU A 48 -13.776 15.721 1.778 1.00 61.20 C ATOM 431 C LEU A 48 -13.298 17.167 1.683 1.00 42.21 C ATOM 432 O LEU A 48 -12.203 17.500 2.139 1.00 23.30 O ATOM 433 CB LEU A 48 -12.841 14.808 0.983 1.00 13.43 C ATOM 434 CG LEU A 48 -11.644 14.245 1.749 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.237 12.893 1.184 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.474 15.218 1.701 1.00 4.51 C ATOM 0 H LEU A 48 -15.219 15.220 0.341 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.761 15.421 2.826 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.424 13.973 0.595 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.468 15.363 0.123 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.935 14.109 2.790 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -10.383 12.508 1.742 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -12.071 12.197 1.270 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -10.964 13.004 0.135 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.631 14.801 2.251 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.183 15.386 0.664 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.769 16.165 2.153 1.00 4.51 H new ATOM 448 N LEU A 49 -14.124 18.020 1.090 1.00 1.22 N ATOM 449 CA LEU A 49 -13.786 19.432 0.937 1.00 22.31 C ATOM 450 C LEU A 49 -14.614 20.295 1.884 1.00 21.04 C ATOM 451 O LEU A 49 -14.133 21.305 2.400 1.00 33.35 O ATOM 452 CB LEU A 49 -14.015 19.876 -0.509 1.00 14.24 C ATOM 453 CG LEU A 49 -13.899 21.379 -0.775 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.529 21.890 -0.357 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.160 21.682 -2.243 1.00 64.13 C ATOM 0 H LEU A 49 -15.033 17.760 0.707 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.733 19.559 1.187 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.298 19.358 -1.145 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.008 19.548 -0.816 1.00 14.24 H new ATOM 0 HG LEU A 49 -14.653 21.894 -0.180 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.464 22.960 -0.553 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.381 21.707 0.707 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -11.758 21.370 -0.925 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.073 22.755 -2.414 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.430 21.156 -2.858 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.164 21.352 -2.510 1.00 64.13 H new ATOM 467 N LEU A 50 -15.859 19.890 2.110 1.00 22.22 N ATOM 468 CA LEU A 50 -16.753 20.626 2.997 1.00 12.15 C ATOM 469 C LEU A 50 -16.507 20.246 4.454 1.00 64.21 C ATOM 470 O LEU A 50 -16.950 20.938 5.369 1.00 41.21 O ATOM 471 CB LEU A 50 -18.212 20.351 2.626 1.00 52.32 C ATOM 472 CG LEU A 50 -19.003 21.543 2.088 1.00 62.43 C ATOM 473 CD1 LEU A 50 -19.378 22.488 3.219 1.00 30.14 C ATOM 474 CD2 LEU A 50 -18.204 22.276 1.021 1.00 52.43 C ATOM 0 H LEU A 50 -16.272 19.057 1.692 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.549 21.690 2.878 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.233 19.559 1.877 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.725 19.969 3.509 1.00 52.32 H new ATOM 0 HG LEU A 50 -19.921 21.170 1.633 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -19.941 23.331 2.817 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -19.990 21.958 3.948 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -18.472 22.854 3.703 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -18.783 23.122 0.650 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -17.269 22.637 1.450 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -17.987 21.596 0.198 1.00 52.43 H new ATOM 486 N ASN A 51 -15.796 19.142 4.661 1.00 73.41 N ATOM 487 CA ASN A 51 -15.489 18.673 6.007 1.00 22.20 C ATOM 488 C ASN A 51 -14.119 19.170 6.458 1.00 10.20 C ATOM 489 O ASN A 51 -13.512 18.608 7.369 1.00 2.33 O ATOM 490 CB ASN A 51 -15.530 17.143 6.057 1.00 60.44 C ATOM 491 CG ASN A 51 -16.948 16.605 6.089 1.00 52.20 C ATOM 492 OD1 ASN A 51 -17.278 15.747 6.908 1.00 50.43 O ATOM 493 ND2 ASN A 51 -17.791 17.106 5.196 1.00 53.10 N ATOM 0 H ASN A 51 -15.422 18.556 3.914 1.00 73.41 H new ATOM 0 HA ASN A 51 -16.242 19.074 6.685 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -15.010 16.739 5.188 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.992 16.796 6.939 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -18.758 16.781 5.169 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -17.473 17.816 4.536 1.00 53.10 H new ATOM 500 N GLY A 52 -13.640 20.231 5.816 1.00 21.34 N ATOM 501 CA GLY A 52 -12.346 20.788 6.165 1.00 23.12 C ATOM 502 C GLY A 52 -11.260 19.732 6.233 1.00 64.40 C ATOM 503 O GLY A 52 -10.623 19.553 7.272 1.00 20.35 O ATOM 0 H GLY A 52 -14.125 20.715 5.060 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -12.069 21.543 5.430 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -12.419 21.293 7.128 1.00 23.12 H new ATOM 507 N PHE A 53 -11.049 19.030 5.125 1.00 4.22 N ATOM 508 CA PHE A 53 -10.035 17.984 5.063 1.00 32.51 C ATOM 509 C PHE A 53 -9.381 17.941 3.686 1.00 13.43 C ATOM 510 O PHE A 53 -8.710 16.970 3.335 1.00 72.43 O ATOM 511 CB PHE A 53 -10.654 16.624 5.389 1.00 31.13 C ATOM 512 CG PHE A 53 -9.821 15.794 6.324 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.443 15.748 6.190 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.417 15.059 7.337 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.673 14.986 7.048 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.652 14.296 8.198 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.280 14.258 8.054 1.00 3.33 C ATOM 0 H PHE A 53 -11.567 19.167 4.257 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.268 18.213 5.803 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.638 16.779 5.832 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -10.805 16.071 4.462 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -7.964 16.315 5.405 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.490 15.083 7.454 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.599 14.959 6.933 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.128 13.729 8.984 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.682 13.661 8.726 1.00 3.33 H new ATOM 527 N ASP A 54 -9.579 19.001 2.909 1.00 43.25 N ATOM 528 CA ASP A 54 -9.009 19.086 1.570 1.00 25.30 C ATOM 529 C ASP A 54 -7.488 19.188 1.633 1.00 32.24 C ATOM 530 O ASP A 54 -6.797 18.910 0.653 1.00 35.14 O ATOM 531 CB ASP A 54 -9.583 20.291 0.824 1.00 54.31 C ATOM 532 CG ASP A 54 -8.836 21.573 1.135 1.00 72.24 C ATOM 533 OD1 ASP A 54 -8.988 22.090 2.261 1.00 75.13 O ATOM 534 OD2 ASP A 54 -8.100 22.061 0.250 1.00 65.04 O ATOM 0 H ASP A 54 -10.131 19.814 3.184 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.272 18.176 1.031 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.545 20.103 -0.249 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.633 20.412 1.089 1.00 54.31 H new ATOM 539 N ASP A 55 -6.975 19.587 2.791 1.00 74.21 N ATOM 540 CA ASP A 55 -5.535 19.726 2.982 1.00 64.43 C ATOM 541 C ASP A 55 -4.807 18.449 2.572 1.00 73.45 C ATOM 542 O ASP A 55 -4.803 17.461 3.307 1.00 55.34 O ATOM 543 CB ASP A 55 -5.222 20.060 4.441 1.00 14.55 C ATOM 544 CG ASP A 55 -5.875 21.352 4.892 1.00 65.11 C ATOM 545 OD1 ASP A 55 -6.318 22.128 4.019 1.00 43.45 O ATOM 546 OD2 ASP A 55 -5.942 21.587 6.117 1.00 74.22 O ATOM 0 H ASP A 55 -7.534 19.820 3.612 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.186 20.541 2.348 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -5.561 19.243 5.078 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.142 20.138 4.569 1.00 14.55 H new ATOM 551 N VAL A 56 -4.195 18.475 1.393 1.00 2.04 N ATOM 552 CA VAL A 56 -3.464 17.321 0.885 1.00 33.13 C ATOM 553 C VAL A 56 -2.186 17.085 1.682 1.00 42.44 C ATOM 554 O VAL A 56 -1.642 15.981 1.691 1.00 53.32 O ATOM 555 CB VAL A 56 -3.103 17.495 -0.603 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.302 16.302 -1.102 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.361 17.689 -1.436 1.00 54.40 C ATOM 0 H VAL A 56 -4.191 19.284 0.771 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.121 16.458 0.993 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.484 18.386 -0.707 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -2.057 16.443 -2.155 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.382 16.214 -0.524 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -2.892 15.393 -0.986 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -4.088 17.810 -2.484 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -5.007 16.818 -1.328 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.891 18.578 -1.094 1.00 54.40 H new ATOM 567 N HIS A 57 -1.712 18.131 2.351 1.00 51.41 N ATOM 568 CA HIS A 57 -0.497 18.037 3.154 1.00 40.15 C ATOM 569 C HIS A 57 -0.825 17.652 4.593 1.00 32.12 C ATOM 570 O HIS A 57 0.020 17.759 5.482 1.00 2.24 O ATOM 571 CB HIS A 57 0.259 19.367 3.129 1.00 5.31 C ATOM 572 CG HIS A 57 -0.428 20.461 3.886 1.00 63.24 C ATOM 573 ND1 HIS A 57 -0.049 20.854 5.151 1.00 24.20 N ATOM 574 CD2 HIS A 57 -1.475 21.248 3.547 1.00 24.11 C ATOM 575 CE1 HIS A 57 -0.834 21.834 5.559 1.00 23.40 C ATOM 576 NE2 HIS A 57 -1.709 22.093 4.604 1.00 2.32 N ATOM 0 H HIS A 57 -2.150 19.052 2.353 1.00 51.41 H new ATOM 0 HA HIS A 57 0.135 17.260 2.724 1.00 40.15 H new ATOM 0 HB2 HIS A 57 1.255 19.217 3.547 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.391 19.681 2.094 1.00 5.31 H new ATOM 0 HD2 HIS A 57 -2.025 21.217 2.618 1.00 24.11 H new ATOM 0 HE1 HIS A 57 -0.771 22.338 6.512 1.00 23.40 H new ATOM 0 HE2 HIS A 57 -2.439 22.804 4.645 1.00 2.32 H new ATOM 584 N PHE A 58 -2.056 17.205 4.814 1.00 2.54 N ATOM 585 CA PHE A 58 -2.496 16.804 6.146 1.00 32.34 C ATOM 586 C PHE A 58 -2.866 15.324 6.176 1.00 21.42 C ATOM 587 O PHE A 58 -2.921 14.707 7.239 1.00 1.22 O ATOM 588 CB PHE A 58 -3.694 17.650 6.586 1.00 44.13 C ATOM 589 CG PHE A 58 -3.580 18.163 7.992 1.00 63.33 C ATOM 590 CD1 PHE A 58 -2.471 18.890 8.392 1.00 34.41 C ATOM 591 CD2 PHE A 58 -4.583 17.918 8.917 1.00 41.43 C ATOM 592 CE1 PHE A 58 -2.364 19.365 9.686 1.00 33.51 C ATOM 593 CE2 PHE A 58 -4.482 18.390 10.211 1.00 24.23 C ATOM 594 CZ PHE A 58 -3.371 19.113 10.597 1.00 25.44 C ATOM 0 H PHE A 58 -2.767 17.111 4.089 1.00 2.54 H new ATOM 0 HA PHE A 58 -1.670 16.967 6.838 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -3.801 18.496 5.907 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -4.602 17.054 6.498 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -1.680 19.088 7.684 1.00 34.41 H new ATOM 0 HD2 PHE A 58 -5.454 17.351 8.622 1.00 41.43 H new ATOM 0 HE1 PHE A 58 -1.494 19.932 9.984 1.00 33.51 H new ATOM 0 HE2 PHE A 58 -5.272 18.194 10.921 1.00 24.23 H new ATOM 0 HZ PHE A 58 -3.290 19.481 11.609 1.00 25.44 H new ATOM 604 N LEU A 59 -3.119 14.761 4.999 1.00 73.52 N ATOM 605 CA LEU A 59 -3.485 13.353 4.888 1.00 21.03 C ATOM 606 C LEU A 59 -2.461 12.468 5.591 1.00 4.40 C ATOM 607 O LEU A 59 -2.787 11.381 6.067 1.00 70.34 O ATOM 608 CB LEU A 59 -3.599 12.951 3.417 1.00 12.42 C ATOM 609 CG LEU A 59 -4.516 13.818 2.553 1.00 71.50 C ATOM 610 CD1 LEU A 59 -4.133 13.702 1.085 1.00 21.32 C ATOM 611 CD2 LEU A 59 -5.972 13.426 2.758 1.00 33.44 C ATOM 0 H LEU A 59 -3.077 15.258 4.109 1.00 73.52 H new ATOM 0 HA LEU A 59 -4.451 13.214 5.372 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.601 12.965 2.979 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -3.954 11.922 3.369 1.00 12.42 H new ATOM 0 HG LEU A 59 -4.394 14.857 2.859 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -4.796 14.326 0.486 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -3.103 14.033 0.950 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -4.225 12.664 0.766 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -6.609 14.054 2.135 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -6.110 12.381 2.481 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -6.241 13.562 3.805 1.00 33.44 H new ATOM 623 N GLY A 60 -1.220 12.942 5.655 1.00 54.22 N ATOM 624 CA GLY A 60 -0.168 12.182 6.304 1.00 72.21 C ATOM 625 C GLY A 60 -0.075 12.471 7.789 1.00 1.35 C ATOM 626 O GLY A 60 0.445 11.659 8.555 1.00 11.54 O ATOM 0 H GLY A 60 -0.925 13.839 5.269 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -0.348 11.117 6.155 1.00 72.21 H new ATOM 0 HA3 GLY A 60 0.787 12.413 5.832 1.00 72.21 H new ATOM 630 N SER A 61 -0.580 13.630 8.197 1.00 4.14 N ATOM 631 CA SER A 61 -0.548 14.026 9.600 1.00 1.23 C ATOM 632 C SER A 61 -1.815 13.578 10.321 1.00 33.14 C ATOM 633 O SER A 61 -1.768 12.744 11.224 1.00 43.52 O ATOM 634 CB SER A 61 -0.388 15.543 9.720 1.00 13.14 C ATOM 635 OG SER A 61 0.250 15.894 10.936 1.00 63.22 O ATOM 0 H SER A 61 -1.016 14.312 7.576 1.00 4.14 H new ATOM 0 HA SER A 61 0.307 13.539 10.070 1.00 1.23 H new ATOM 0 HB2 SER A 61 0.195 15.918 8.879 1.00 13.14 H new ATOM 0 HB3 SER A 61 -1.367 16.020 9.668 1.00 13.14 H new ATOM 0 HG SER A 61 0.342 16.868 10.988 1.00 63.22 H new ATOM 641 N ASN A 62 -2.949 14.141 9.915 1.00 31.22 N ATOM 642 CA ASN A 62 -4.231 13.800 10.522 1.00 31.45 C ATOM 643 C ASN A 62 -4.437 12.289 10.548 1.00 73.55 C ATOM 644 O ASN A 62 -3.947 11.570 9.678 1.00 54.32 O ATOM 645 CB ASN A 62 -5.375 14.468 9.755 1.00 13.43 C ATOM 646 CG ASN A 62 -6.556 14.794 10.649 1.00 23.14 C ATOM 647 OD1 ASN A 62 -6.878 14.044 11.570 1.00 61.15 O ATOM 648 ND2 ASN A 62 -7.210 15.918 10.378 1.00 20.24 N ATOM 0 H ASN A 62 -3.006 14.834 9.169 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.227 14.166 11.549 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -5.011 15.384 9.290 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -5.702 13.810 8.950 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -8.014 16.189 10.944 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -6.908 16.510 9.604 1.00 20.24 H new ATOM 655 N VAL A 63 -5.165 11.814 11.554 1.00 25.41 N ATOM 656 CA VAL A 63 -5.436 10.388 11.694 1.00 4.52 C ATOM 657 C VAL A 63 -5.995 9.806 10.400 1.00 61.11 C ATOM 658 O VAL A 63 -5.569 8.742 9.951 1.00 32.03 O ATOM 659 CB VAL A 63 -6.432 10.116 12.838 1.00 61.31 C ATOM 660 CG1 VAL A 63 -7.674 10.980 12.681 1.00 74.22 C ATOM 661 CG2 VAL A 63 -6.800 8.641 12.883 1.00 12.02 C ATOM 0 H VAL A 63 -5.577 12.396 12.284 1.00 25.41 H new ATOM 0 HA VAL A 63 -4.486 9.906 11.926 1.00 4.52 H new ATOM 0 HB VAL A 63 -5.955 10.377 13.783 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -8.366 10.774 13.498 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -7.390 12.032 12.702 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.157 10.753 11.731 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -7.504 8.466 13.697 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -7.259 8.351 11.938 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -5.901 8.047 13.047 1.00 12.02 H new ATOM 671 N MET A 64 -6.951 10.510 9.805 1.00 61.20 N ATOM 672 CA MET A 64 -7.567 10.064 8.560 1.00 3.10 C ATOM 673 C MET A 64 -7.944 8.588 8.640 1.00 70.24 C ATOM 674 O MET A 64 -7.554 7.792 7.786 1.00 33.41 O ATOM 675 CB MET A 64 -6.618 10.297 7.384 1.00 12.44 C ATOM 676 CG MET A 64 -7.312 10.293 6.032 1.00 21.14 C ATOM 677 SD MET A 64 -7.824 11.941 5.509 1.00 63.40 S ATOM 678 CE MET A 64 -9.101 11.538 4.321 1.00 12.42 C ATOM 0 H MET A 64 -7.317 11.392 10.164 1.00 61.20 H new ATOM 0 HA MET A 64 -8.476 10.646 8.404 1.00 3.10 H new ATOM 0 HB2 MET A 64 -6.112 11.253 7.520 1.00 12.44 H new ATOM 0 HB3 MET A 64 -5.849 9.525 7.390 1.00 12.44 H new ATOM 0 HG2 MET A 64 -6.640 9.871 5.284 1.00 21.14 H new ATOM 0 HG3 MET A 64 -8.186 9.643 6.078 1.00 21.14 H new ATOM 0 HE1 MET A 64 -8.995 12.175 3.443 1.00 12.42 H new ATOM 0 HE2 MET A 64 -9.006 10.493 4.025 1.00 12.42 H new ATOM 0 HE3 MET A 64 -10.081 11.700 4.771 1.00 12.42 H new ATOM 688 N GLU A 65 -8.706 8.231 9.669 1.00 11.45 N ATOM 689 CA GLU A 65 -9.135 6.850 9.860 1.00 22.43 C ATOM 690 C GLU A 65 -10.477 6.598 9.178 1.00 24.51 C ATOM 691 O GLU A 65 -11.099 7.520 8.652 1.00 55.23 O ATOM 692 CB GLU A 65 -9.239 6.525 11.351 1.00 74.14 C ATOM 693 CG GLU A 65 -8.268 5.451 11.809 1.00 45.31 C ATOM 694 CD GLU A 65 -8.766 4.049 11.512 1.00 75.44 C ATOM 695 OE1 GLU A 65 -8.521 3.558 10.390 1.00 62.30 O ATOM 696 OE2 GLU A 65 -9.401 3.444 12.402 1.00 64.44 O ATOM 0 H GLU A 65 -9.039 8.879 10.383 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.388 6.199 9.406 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -9.060 7.434 11.926 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.256 6.202 11.574 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -7.307 5.603 11.318 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -8.098 5.553 12.881 1.00 45.31 H new ATOM 703 N GLU A 66 -10.914 5.343 9.192 1.00 13.11 N ATOM 704 CA GLU A 66 -12.181 4.970 8.574 1.00 23.52 C ATOM 705 C GLU A 66 -13.314 5.861 9.075 1.00 74.04 C ATOM 706 O GLU A 66 -14.168 6.290 8.300 1.00 23.44 O ATOM 707 CB GLU A 66 -12.504 3.503 8.866 1.00 2.44 C ATOM 708 CG GLU A 66 -12.279 3.107 10.315 1.00 3.43 C ATOM 709 CD GLU A 66 -12.783 1.710 10.624 1.00 41.24 C ATOM 710 OE1 GLU A 66 -12.835 0.880 9.692 1.00 43.30 O ATOM 711 OE2 GLU A 66 -13.127 1.448 11.795 1.00 4.50 O ATOM 0 H GLU A 66 -10.410 4.568 9.624 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.084 5.106 7.497 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.544 3.309 8.603 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -11.890 2.870 8.226 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.214 3.163 10.542 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -12.782 3.823 10.965 1.00 3.43 H new ATOM 718 N GLN A 67 -13.314 6.133 10.376 1.00 72.24 N ATOM 719 CA GLN A 67 -14.342 6.970 10.981 1.00 45.32 C ATOM 720 C GLN A 67 -14.396 8.339 10.307 1.00 64.44 C ATOM 721 O GLN A 67 -15.475 8.856 10.017 1.00 22.22 O ATOM 722 CB GLN A 67 -14.079 7.137 12.479 1.00 34.34 C ATOM 723 CG GLN A 67 -15.346 7.285 13.306 1.00 20.25 C ATOM 724 CD GLN A 67 -15.754 5.993 13.985 1.00 13.13 C ATOM 725 OE1 GLN A 67 -14.909 5.240 14.471 1.00 43.45 O ATOM 726 NE2 GLN A 67 -17.054 5.729 14.024 1.00 40.24 N ATOM 0 H GLN A 67 -12.613 5.786 11.031 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.304 6.477 10.841 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -13.518 6.274 12.839 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -13.450 8.013 12.634 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -15.194 8.056 14.062 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -16.158 7.625 12.663 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -17.719 6.381 13.609 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -17.388 4.874 14.469 1.00 40.24 H new ATOM 735 N ASP A 68 -13.226 8.918 10.064 1.00 4.04 N ATOM 736 CA ASP A 68 -13.139 10.225 9.424 1.00 33.33 C ATOM 737 C ASP A 68 -13.789 10.199 8.043 1.00 4.50 C ATOM 738 O ASP A 68 -14.530 11.112 7.676 1.00 73.34 O ATOM 739 CB ASP A 68 -11.679 10.663 9.305 1.00 2.30 C ATOM 740 CG ASP A 68 -11.484 11.758 8.275 1.00 73.53 C ATOM 741 OD1 ASP A 68 -12.265 12.733 8.291 1.00 64.33 O ATOM 742 OD2 ASP A 68 -10.551 11.641 7.452 1.00 32.30 O ATOM 0 H ASP A 68 -12.325 8.503 10.300 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.676 10.942 10.045 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -11.328 11.015 10.275 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.066 9.803 9.037 1.00 2.30 H new ATOM 747 N LEU A 69 -13.506 9.148 7.282 1.00 54.14 N ATOM 748 CA LEU A 69 -14.062 9.003 5.941 1.00 21.05 C ATOM 749 C LEU A 69 -15.544 8.645 6.001 1.00 72.33 C ATOM 750 O LEU A 69 -16.295 8.912 5.064 1.00 32.02 O ATOM 751 CB LEU A 69 -13.297 7.930 5.164 1.00 63.04 C ATOM 752 CG LEU A 69 -11.788 7.876 5.400 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.135 6.880 4.455 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.173 9.259 5.229 1.00 20.54 C ATOM 0 H LEU A 69 -12.895 8.384 7.570 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.959 9.958 5.426 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.719 6.957 5.417 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.472 8.087 4.100 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.611 7.544 6.423 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.061 6.855 4.638 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -11.555 5.888 4.625 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.321 7.181 3.424 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -10.098 9.203 5.400 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.361 9.618 4.217 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.619 9.947 5.947 1.00 20.54 H new ATOM 766 N ARG A 70 -15.956 8.042 7.112 1.00 23.24 N ATOM 767 CA ARG A 70 -17.348 7.650 7.295 1.00 72.12 C ATOM 768 C ARG A 70 -18.206 8.851 7.678 1.00 55.23 C ATOM 769 O ARG A 70 -19.343 8.985 7.225 1.00 53.31 O ATOM 770 CB ARG A 70 -17.458 6.568 8.371 1.00 3.23 C ATOM 771 CG ARG A 70 -18.838 5.940 8.466 1.00 42.20 C ATOM 772 CD ARG A 70 -18.757 4.423 8.541 1.00 62.45 C ATOM 773 NE ARG A 70 -19.859 3.779 7.831 1.00 4.14 N ATOM 774 CZ ARG A 70 -19.983 2.463 7.705 1.00 70.41 C ATOM 775 NH1 ARG A 70 -19.077 1.655 8.237 1.00 24.21 N ATOM 776 NH2 ARG A 70 -21.015 1.952 7.044 1.00 34.32 N ATOM 0 H ARG A 70 -15.346 7.815 7.898 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.714 7.251 6.349 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -16.726 5.787 8.164 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.198 7.001 9.337 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.353 6.322 9.348 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.432 6.231 7.599 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -17.809 4.089 8.118 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -18.767 4.111 9.585 1.00 62.45 H new ATOM 0 HE ARG A 70 -20.573 4.373 7.409 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -18.282 2.044 8.745 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -19.175 0.644 8.139 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -21.714 2.571 6.632 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -21.109 0.941 6.948 1.00 34.32 H new ATOM 790 N ASP A 71 -17.655 9.723 8.515 1.00 53.33 N ATOM 791 CA ASP A 71 -18.369 10.914 8.959 1.00 60.01 C ATOM 792 C ASP A 71 -18.624 11.861 7.792 1.00 72.41 C ATOM 793 O ASP A 71 -19.647 12.547 7.748 1.00 71.35 O ATOM 794 CB ASP A 71 -17.575 11.633 10.051 1.00 14.22 C ATOM 795 CG ASP A 71 -18.063 13.050 10.283 1.00 62.44 C ATOM 796 OD1 ASP A 71 -19.186 13.213 10.804 1.00 72.31 O ATOM 797 OD2 ASP A 71 -17.320 13.996 9.943 1.00 31.13 O ATOM 0 H ASP A 71 -16.715 9.627 8.900 1.00 53.33 H new ATOM 0 HA ASP A 71 -19.330 10.601 9.366 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.649 11.069 10.981 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.521 11.655 9.775 1.00 14.22 H new ATOM 802 N ILE A 72 -17.689 11.896 6.849 1.00 1.12 N ATOM 803 CA ILE A 72 -17.814 12.760 5.681 1.00 75.31 C ATOM 804 C ILE A 72 -18.782 12.169 4.662 1.00 44.42 C ATOM 805 O ILE A 72 -19.391 12.894 3.876 1.00 12.52 O ATOM 806 CB ILE A 72 -16.450 12.990 5.003 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.868 11.662 4.516 1.00 55.23 C ATOM 808 CG2 ILE A 72 -15.490 13.675 5.964 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.636 11.823 3.653 1.00 0.34 C ATOM 0 H ILE A 72 -16.837 11.336 6.871 1.00 1.12 H new ATOM 0 HA ILE A 72 -18.201 13.716 6.035 1.00 75.31 H new ATOM 0 HB ILE A 72 -16.594 13.640 4.140 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -15.619 11.045 5.380 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.630 11.126 3.951 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -14.531 13.831 5.471 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.903 14.637 6.267 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -15.348 13.048 6.844 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -14.278 10.841 3.344 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.884 12.413 2.771 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.857 12.331 4.222 1.00 0.34 H new ATOM 821 N GLY A 73 -18.921 10.847 4.682 1.00 1.12 N ATOM 822 CA GLY A 73 -19.818 10.180 3.756 1.00 1.33 C ATOM 823 C GLY A 73 -19.280 8.844 3.288 1.00 11.10 C ATOM 824 O GLY A 73 -20.030 7.875 3.161 1.00 73.00 O ATOM 0 H GLY A 73 -18.428 10.226 5.323 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.785 10.031 4.236 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -19.987 10.823 2.892 1.00 1.33 H new ATOM 828 N ILE A 74 -17.978 8.789 3.028 1.00 51.04 N ATOM 829 CA ILE A 74 -17.341 7.561 2.571 1.00 31.22 C ATOM 830 C ILE A 74 -17.477 6.452 3.609 1.00 75.21 C ATOM 831 O ILE A 74 -16.673 6.354 4.535 1.00 30.33 O ATOM 832 CB ILE A 74 -15.848 7.781 2.264 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.672 8.947 1.289 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.232 6.511 1.696 1.00 22.03 C ATOM 835 CD1 ILE A 74 -14.226 9.311 1.037 1.00 70.13 C ATOM 0 H ILE A 74 -17.344 9.582 3.126 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.851 7.263 1.655 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.333 8.028 3.193 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -16.144 8.691 0.341 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -16.195 9.820 1.681 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.177 6.682 1.484 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.330 5.703 2.421 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.747 6.237 0.775 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -14.177 10.145 0.337 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.754 9.598 1.977 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.703 8.453 0.616 1.00 70.13 H new ATOM 847 N SER A 75 -18.498 5.617 3.446 1.00 25.45 N ATOM 848 CA SER A 75 -18.741 4.516 4.370 1.00 13.40 C ATOM 849 C SER A 75 -18.501 3.173 3.688 1.00 74.40 C ATOM 850 O SER A 75 -18.494 2.126 4.338 1.00 20.24 O ATOM 851 CB SER A 75 -20.172 4.578 4.907 1.00 21.25 C ATOM 852 OG SER A 75 -21.074 5.013 3.904 1.00 33.10 O ATOM 0 H SER A 75 -19.171 5.682 2.682 1.00 25.45 H new ATOM 0 HA SER A 75 -18.044 4.613 5.202 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.471 3.594 5.268 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.215 5.257 5.759 1.00 21.25 H new ATOM 0 HG SER A 75 -21.982 5.043 4.271 1.00 33.10 H new ATOM 858 N ASP A 76 -18.303 3.209 2.375 1.00 53.52 N ATOM 859 CA ASP A 76 -18.060 1.995 1.603 1.00 32.34 C ATOM 860 C ASP A 76 -16.666 1.443 1.883 1.00 34.05 C ATOM 861 O ASP A 76 -15.731 2.181 2.196 1.00 20.20 O ATOM 862 CB ASP A 76 -18.222 2.275 0.108 1.00 33.23 C ATOM 863 CG ASP A 76 -19.529 1.741 -0.443 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.485 1.581 0.345 1.00 10.22 O ATOM 865 OD2 ASP A 76 -19.598 1.487 -1.663 1.00 35.40 O ATOM 0 H ASP A 76 -18.306 4.066 1.822 1.00 53.52 H new ATOM 0 HA ASP A 76 -18.794 1.248 1.906 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.170 3.350 -0.065 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.391 1.825 -0.435 1.00 33.23 H new ATOM 870 N PRO A 77 -16.522 0.115 1.770 1.00 11.41 N ATOM 871 CA PRO A 77 -15.245 -0.567 2.007 1.00 74.34 C ATOM 872 C PRO A 77 -14.217 -0.263 0.922 1.00 3.05 C ATOM 873 O PRO A 77 -13.062 0.042 1.219 1.00 54.31 O ATOM 874 CB PRO A 77 -15.625 -2.049 1.984 1.00 62.34 C ATOM 875 CG PRO A 77 -16.858 -2.112 1.149 1.00 3.44 C ATOM 876 CD PRO A 77 -17.594 -0.825 1.400 1.00 12.32 C ATOM 0 HA PRO A 77 -14.778 -0.248 2.939 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -14.826 -2.656 1.557 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -15.809 -2.426 2.990 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.609 -2.220 0.093 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.470 -2.971 1.422 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.133 -0.491 0.513 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.328 -0.931 2.198 1.00 12.32 H new ATOM 884 N GLN A 78 -14.644 -0.348 -0.333 1.00 22.03 N ATOM 885 CA GLN A 78 -13.759 -0.083 -1.460 1.00 20.20 C ATOM 886 C GLN A 78 -13.421 1.402 -1.549 1.00 31.22 C ATOM 887 O GLN A 78 -12.522 1.801 -2.290 1.00 34.23 O ATOM 888 CB GLN A 78 -14.406 -0.551 -2.765 1.00 23.11 C ATOM 889 CG GLN A 78 -14.648 -2.050 -2.822 1.00 52.33 C ATOM 890 CD GLN A 78 -15.518 -2.458 -3.994 1.00 11.41 C ATOM 891 OE1 GLN A 78 -15.227 -2.125 -5.144 1.00 41.05 O ATOM 892 NE2 GLN A 78 -16.593 -3.182 -3.709 1.00 41.45 N ATOM 0 H GLN A 78 -15.597 -0.598 -0.595 1.00 22.03 H new ATOM 0 HA GLN A 78 -12.834 -0.638 -1.302 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -15.356 -0.033 -2.896 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -13.768 -0.263 -3.601 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -13.690 -2.566 -2.889 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -15.120 -2.373 -1.894 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -16.796 -3.435 -2.742 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -17.217 -3.485 -4.457 1.00 41.45 H new ATOM 901 N HIS A 79 -14.149 2.216 -0.792 1.00 40.31 N ATOM 902 CA HIS A 79 -13.926 3.658 -0.785 1.00 53.12 C ATOM 903 C HIS A 79 -13.096 4.073 0.425 1.00 14.42 C ATOM 904 O HIS A 79 -12.284 4.995 0.346 1.00 71.44 O ATOM 905 CB HIS A 79 -15.262 4.401 -0.782 1.00 4.55 C ATOM 906 CG HIS A 79 -16.052 4.217 -2.040 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.237 4.879 -2.289 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.823 3.441 -3.125 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.701 4.516 -3.471 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.861 3.645 -4.000 1.00 70.41 N ATOM 0 H HIS A 79 -14.898 1.902 -0.175 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.375 3.921 -1.688 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -15.857 4.058 0.064 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.077 5.465 -0.631 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -14.980 2.783 -3.275 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.613 4.871 -3.928 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.966 3.197 -4.910 1.00 70.41 H new ATOM 918 N ARG A 80 -13.306 3.387 1.545 1.00 4.22 N ATOM 919 CA ARG A 80 -12.578 3.688 2.772 1.00 30.13 C ATOM 920 C ARG A 80 -11.159 3.132 2.712 1.00 13.34 C ATOM 921 O ARG A 80 -10.211 3.774 3.164 1.00 23.11 O ATOM 922 CB ARG A 80 -13.314 3.107 3.981 1.00 5.54 C ATOM 923 CG ARG A 80 -14.056 4.149 4.801 1.00 32.10 C ATOM 924 CD ARG A 80 -14.491 3.592 6.148 1.00 61.34 C ATOM 925 NE ARG A 80 -15.630 2.687 6.024 1.00 63.42 N ATOM 926 CZ ARG A 80 -15.511 1.377 5.840 1.00 71.04 C ATOM 927 NH1 ARG A 80 -14.311 0.821 5.761 1.00 64.32 N ATOM 928 NH2 ARG A 80 -16.596 0.620 5.736 1.00 51.11 N ATOM 0 H ARG A 80 -13.974 2.620 1.627 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.521 4.772 2.875 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -14.024 2.355 3.636 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.595 2.597 4.622 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.415 5.017 4.955 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -14.931 4.493 4.249 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -13.656 3.063 6.608 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -14.753 4.415 6.813 1.00 61.34 H new ATOM 0 HE ARG A 80 -16.568 3.082 6.082 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -13.475 1.399 5.842 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -14.224 -0.185 5.620 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -17.522 1.044 5.797 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -16.504 -0.386 5.595 1.00 51.11 H new ATOM 942 N ARG A 81 -11.020 1.936 2.152 1.00 52.33 N ATOM 943 CA ARG A 81 -9.717 1.293 2.035 1.00 13.14 C ATOM 944 C ARG A 81 -8.848 2.009 1.004 1.00 31.35 C ATOM 945 O ARG A 81 -7.636 2.132 1.175 1.00 21.33 O ATOM 946 CB ARG A 81 -9.882 -0.177 1.644 1.00 64.45 C ATOM 947 CG ARG A 81 -8.855 -1.097 2.285 1.00 51.20 C ATOM 948 CD ARG A 81 -9.152 -1.320 3.760 1.00 20.30 C ATOM 949 NE ARG A 81 -8.463 -2.496 4.285 1.00 44.34 N ATOM 950 CZ ARG A 81 -8.395 -2.792 5.578 1.00 62.31 C ATOM 951 NH1 ARG A 81 -8.973 -2.002 6.473 1.00 63.52 N ATOM 952 NH2 ARG A 81 -7.750 -3.879 5.978 1.00 72.44 N ATOM 0 H ARG A 81 -11.794 1.392 1.772 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.224 1.351 3.005 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.881 -0.509 1.926 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -9.811 -0.266 0.560 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -8.848 -2.055 1.765 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -7.860 -0.667 2.174 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -8.851 -0.440 4.328 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -10.227 -1.437 3.900 1.00 20.30 H new ATOM 0 HE ARG A 81 -8.009 -3.125 3.622 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -9.471 -1.165 6.169 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -8.920 -2.231 7.465 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -7.305 -4.489 5.292 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -7.699 -4.105 6.971 1.00 72.44 H new ATOM 966 N LYS A 82 -9.478 2.480 -0.068 1.00 13.53 N ATOM 967 CA LYS A 82 -8.765 3.185 -1.126 1.00 64.41 C ATOM 968 C LYS A 82 -8.219 4.517 -0.622 1.00 20.04 C ATOM 969 O LYS A 82 -7.048 4.839 -0.831 1.00 33.00 O ATOM 970 CB LYS A 82 -9.689 3.421 -2.323 1.00 4.21 C ATOM 971 CG LYS A 82 -8.954 3.538 -3.646 1.00 41.51 C ATOM 972 CD LYS A 82 -9.626 2.717 -4.733 1.00 45.43 C ATOM 973 CE LYS A 82 -8.710 2.519 -5.931 1.00 33.41 C ATOM 974 NZ LYS A 82 -9.186 1.422 -6.818 1.00 53.50 N ATOM 0 H LYS A 82 -10.481 2.386 -0.226 1.00 13.53 H new ATOM 0 HA LYS A 82 -7.926 2.564 -1.439 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.404 2.601 -2.386 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.263 4.332 -2.154 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -8.916 4.584 -3.950 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -7.924 3.204 -3.521 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -9.915 1.746 -4.331 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -10.542 3.215 -5.052 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -8.651 3.447 -6.500 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -7.702 2.294 -5.584 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -8.535 1.319 -7.622 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -9.218 0.531 -6.282 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -10.138 1.649 -7.170 1.00 53.50 H new ATOM 988 N LEU A 83 -9.072 5.286 0.045 1.00 25.51 N ATOM 989 CA LEU A 83 -8.675 6.583 0.582 1.00 70.13 C ATOM 990 C LEU A 83 -7.599 6.424 1.650 1.00 75.12 C ATOM 991 O LEU A 83 -6.773 7.315 1.853 1.00 34.51 O ATOM 992 CB LEU A 83 -9.888 7.308 1.167 1.00 44.33 C ATOM 993 CG LEU A 83 -10.028 8.786 0.801 1.00 35.54 C ATOM 994 CD1 LEU A 83 -10.605 8.937 -0.598 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.899 9.508 1.820 1.00 61.21 C ATOM 0 H LEU A 83 -10.043 5.034 0.227 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.264 7.176 -0.235 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -10.789 6.787 0.842 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -9.846 7.226 2.253 1.00 44.33 H new ATOM 0 HG LEU A 83 -9.037 9.239 0.814 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -10.697 9.996 -0.841 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -9.944 8.456 -1.318 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -11.588 8.468 -0.639 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -10.988 10.559 1.544 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -11.889 9.053 1.839 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -10.444 9.430 2.808 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.611 5.283 2.329 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.634 5.005 3.376 1.00 3.44 C ATOM 1009 C LEU A 84 -5.315 4.530 2.778 1.00 72.44 C ATOM 1010 O LEU A 84 -4.242 4.823 3.305 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.179 3.950 4.342 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.589 4.455 5.725 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.393 5.740 5.608 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.386 3.391 6.467 1.00 42.04 C ATOM 0 H LEU A 84 -8.287 4.535 2.174 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.451 5.930 3.923 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -8.044 3.475 3.879 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.421 3.177 4.469 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.685 4.667 6.295 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.676 6.084 6.603 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.789 6.504 5.118 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.291 5.555 5.019 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.669 3.768 7.450 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.284 3.147 5.899 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.776 2.495 6.584 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.402 3.796 1.673 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.214 3.282 1.001 1.00 44.01 C ATOM 1028 C GLN A 85 -3.538 4.374 0.180 1.00 32.52 C ATOM 1029 O GLN A 85 -2.311 4.468 0.146 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.583 2.103 0.099 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.510 1.028 0.035 1.00 71.24 C ATOM 1032 CD GLN A 85 -2.832 0.960 -1.319 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -3.467 0.661 -2.330 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -1.534 1.240 -1.346 1.00 23.34 N ATOM 0 H GLN A 85 -6.283 3.544 1.224 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.514 2.941 1.764 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.511 1.658 0.458 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.776 2.473 -0.908 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -2.761 1.222 0.803 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -3.957 0.060 0.262 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -1.047 1.483 -0.484 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -1.024 1.212 -2.229 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.345 5.197 -0.480 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.824 6.283 -1.301 1.00 23.11 C ATOM 1045 C ALA A 86 -3.307 7.426 -0.434 1.00 41.35 C ATOM 1046 O ALA A 86 -2.509 8.248 -0.884 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.899 6.786 -2.254 1.00 11.45 C ATOM 0 H ALA A 86 -5.363 5.133 -0.462 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.988 5.897 -1.884 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.497 7.597 -2.861 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -5.220 5.971 -2.903 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.752 7.151 -1.681 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.768 7.473 0.812 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.349 8.514 1.743 1.00 1.44 C ATOM 1055 C ALA A 87 -2.049 8.135 2.443 1.00 72.32 C ATOM 1056 O ALA A 87 -1.152 8.963 2.597 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.445 8.778 2.766 1.00 23.42 C ATOM 0 H ALA A 87 -4.432 6.802 1.200 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.170 9.426 1.174 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.119 9.557 3.455 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.351 9.102 2.253 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.651 7.864 3.323 1.00 23.42 H new ATOM 1063 N ARG A 88 -1.956 6.879 2.867 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.765 6.391 3.553 1.00 15.24 C ATOM 1065 C ARG A 88 0.380 6.174 2.568 1.00 1.23 C ATOM 1066 O ARG A 88 1.542 6.077 2.963 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.074 5.086 4.288 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.145 5.240 5.799 1.00 20.20 C ATOM 1069 CD ARG A 88 -2.456 4.702 6.352 1.00 33.11 C ATOM 1070 NE ARG A 88 -2.944 5.500 7.474 1.00 14.11 N ATOM 1071 CZ ARG A 88 -3.969 5.141 8.239 1.00 23.21 C ATOM 1072 NH1 ARG A 88 -4.610 4.005 8.005 1.00 42.15 N ATOM 1073 NH2 ARG A 88 -4.355 5.921 9.241 1.00 35.20 N ATOM 0 H ARG A 88 -2.690 6.181 2.748 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.459 7.145 4.278 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -2.024 4.691 3.926 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -0.308 4.350 4.042 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -0.310 4.712 6.259 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -1.041 6.292 6.064 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -3.206 4.691 5.561 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -2.318 3.670 6.674 1.00 33.11 H new ATOM 0 HE ARG A 88 -2.472 6.380 7.681 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -4.317 3.403 7.235 1.00 42.15 H new ATOM 0 HH12 ARG A 88 -5.397 3.732 8.594 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -3.865 6.796 9.424 1.00 35.20 H new ATOM 0 HH22 ARG A 88 -5.142 5.645 9.828 1.00 35.20 H new ATOM 1087 N SER A 89 0.043 6.099 1.284 1.00 60.43 N ATOM 1088 CA SER A 89 1.042 5.889 0.243 1.00 31.34 C ATOM 1089 C SER A 89 1.789 7.184 -0.062 1.00 64.31 C ATOM 1090 O SER A 89 2.782 7.185 -0.791 1.00 22.54 O ATOM 1091 CB SER A 89 0.380 5.358 -1.030 1.00 41.01 C ATOM 1092 OG SER A 89 0.254 3.947 -0.988 1.00 40.14 O ATOM 0 H SER A 89 -0.914 6.181 0.940 1.00 60.43 H new ATOM 0 HA SER A 89 1.759 5.152 0.606 1.00 31.34 H new ATOM 0 HB2 SER A 89 -0.604 5.811 -1.148 1.00 41.01 H new ATOM 0 HB3 SER A 89 0.971 5.648 -1.899 1.00 41.01 H new ATOM 0 HG SER A 89 -0.616 3.707 -0.605 1.00 40.14 H new ATOM 1098 N LEU A 90 1.304 8.286 0.501 1.00 13.20 N ATOM 1099 CA LEU A 90 1.925 9.588 0.290 1.00 20.50 C ATOM 1100 C LEU A 90 3.380 9.579 0.748 1.00 33.31 C ATOM 1101 O LEU A 90 3.810 8.718 1.517 1.00 24.22 O ATOM 1102 CB LEU A 90 1.150 10.672 1.042 1.00 31.32 C ATOM 1103 CG LEU A 90 0.108 11.440 0.227 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.164 10.620 0.079 1.00 13.43 C ATOM 1105 CD2 LEU A 90 -0.192 12.783 0.875 1.00 41.41 C ATOM 0 H LEU A 90 0.483 8.303 1.106 1.00 13.20 H new ATOM 0 HA LEU A 90 1.901 9.805 -0.778 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.648 10.209 1.891 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.866 11.388 1.446 1.00 31.32 H new ATOM 0 HG LEU A 90 0.515 11.623 -0.768 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -1.894 11.182 -0.504 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -0.936 9.684 -0.431 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.575 10.405 1.065 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -0.935 13.315 0.282 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.578 12.623 1.882 1.00 41.41 H new ATOM 0 HD23 LEU A 90 0.722 13.374 0.927 1.00 41.41 H new ATOM 1117 N PRO A 91 4.159 10.560 0.267 1.00 61.04 N ATOM 1118 CA PRO A 91 5.577 10.687 0.615 1.00 0.30 C ATOM 1119 C PRO A 91 5.782 11.104 2.068 1.00 31.13 C ATOM 1120 O PRO A 91 6.907 11.122 2.567 1.00 53.20 O ATOM 1121 CB PRO A 91 6.078 11.781 -0.331 1.00 50.35 C ATOM 1122 CG PRO A 91 4.866 12.586 -0.654 1.00 2.33 C ATOM 1123 CD PRO A 91 3.714 11.619 -0.655 1.00 23.44 C ATOM 0 HA PRO A 91 6.108 9.741 0.513 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.845 12.393 0.143 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.521 11.354 -1.231 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.713 13.374 0.083 1.00 2.33 H new ATOM 0 HG3 PRO A 91 4.968 13.072 -1.624 1.00 2.33 H new ATOM 0 HD2 PRO A 91 2.793 12.090 -0.312 1.00 23.44 H new ATOM 0 HD3 PRO A 91 3.519 11.227 -1.653 1.00 23.44 H new ATOM 1131 N LYS A 92 4.688 11.440 2.742 1.00 32.51 N ATOM 1132 CA LYS A 92 4.745 11.855 4.138 1.00 1.54 C ATOM 1133 C LYS A 92 5.602 10.895 4.957 1.00 11.31 C ATOM 1134 O LYS A 92 5.810 9.746 4.566 1.00 11.14 O ATOM 1135 CB LYS A 92 3.336 11.929 4.729 1.00 24.45 C ATOM 1136 CG LYS A 92 2.452 10.755 4.343 1.00 34.54 C ATOM 1137 CD LYS A 92 2.944 9.460 4.966 1.00 43.24 C ATOM 1138 CE LYS A 92 1.790 8.625 5.501 1.00 22.10 C ATOM 1139 NZ LYS A 92 1.259 9.170 6.781 1.00 24.23 N ATOM 0 H LYS A 92 3.749 11.433 2.343 1.00 32.51 H new ATOM 0 HA LYS A 92 5.200 12.845 4.177 1.00 1.54 H new ATOM 0 HB2 LYS A 92 3.409 11.976 5.816 1.00 24.45 H new ATOM 0 HB3 LYS A 92 2.861 12.854 4.401 1.00 24.45 H new ATOM 0 HG2 LYS A 92 1.428 10.948 4.663 1.00 34.54 H new ATOM 0 HG3 LYS A 92 2.433 10.654 3.258 1.00 34.54 H new ATOM 0 HD2 LYS A 92 3.497 8.885 4.223 1.00 43.24 H new ATOM 0 HD3 LYS A 92 3.638 9.685 5.776 1.00 43.24 H new ATOM 0 HE2 LYS A 92 0.991 8.593 4.760 1.00 22.10 H new ATOM 0 HE3 LYS A 92 2.124 7.599 5.654 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 0.221 9.100 6.784 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 1.645 8.624 7.577 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 1.539 10.167 6.877 1.00 24.23 H new ATOM 1153 N VAL A 93 6.094 11.371 6.096 1.00 22.10 N ATOM 1154 CA VAL A 93 6.925 10.552 6.970 1.00 41.34 C ATOM 1155 C VAL A 93 6.222 9.250 7.336 1.00 71.23 C ATOM 1156 O VAL A 93 5.013 9.227 7.564 1.00 62.52 O ATOM 1157 CB VAL A 93 7.291 11.306 8.263 1.00 15.35 C ATOM 1158 CG1 VAL A 93 6.039 11.621 9.070 1.00 45.14 C ATOM 1159 CG2 VAL A 93 8.278 10.497 9.090 1.00 64.23 C ATOM 0 H VAL A 93 5.932 12.319 6.435 1.00 22.10 H new ATOM 0 HA VAL A 93 7.838 10.326 6.418 1.00 41.34 H new ATOM 0 HB VAL A 93 7.766 12.248 7.991 1.00 15.35 H new ATOM 0 HG11 VAL A 93 6.317 12.154 9.980 1.00 45.14 H new ATOM 0 HG12 VAL A 93 5.370 12.243 8.475 1.00 45.14 H new ATOM 0 HG13 VAL A 93 5.533 10.692 9.334 1.00 45.14 H new ATOM 0 HG21 VAL A 93 8.525 11.045 9.999 1.00 64.23 H new ATOM 0 HG22 VAL A 93 7.832 9.538 9.354 1.00 64.23 H new ATOM 0 HG23 VAL A 93 9.185 10.328 8.510 1.00 64.23 H new ATOM 1169 N LYS A 94 6.989 8.166 7.390 1.00 33.11 N ATOM 1170 CA LYS A 94 6.442 6.858 7.730 1.00 74.13 C ATOM 1171 C LYS A 94 7.558 5.850 7.983 1.00 13.12 C ATOM 1172 O LYS A 94 8.731 6.215 8.058 1.00 64.04 O ATOM 1173 CB LYS A 94 5.531 6.356 6.607 1.00 63.31 C ATOM 1174 CG LYS A 94 4.165 5.899 7.090 1.00 1.04 C ATOM 1175 CD LYS A 94 3.723 4.626 6.388 1.00 2.13 C ATOM 1176 CE LYS A 94 2.574 3.955 7.125 1.00 55.41 C ATOM 1177 NZ LYS A 94 2.734 2.474 7.170 1.00 3.32 N ATOM 0 H LYS A 94 7.992 8.168 7.203 1.00 33.11 H new ATOM 0 HA LYS A 94 5.858 6.963 8.644 1.00 74.13 H new ATOM 0 HB2 LYS A 94 5.400 7.152 5.874 1.00 63.31 H new ATOM 0 HB3 LYS A 94 6.022 5.528 6.095 1.00 63.31 H new ATOM 0 HG2 LYS A 94 4.196 5.730 8.166 1.00 1.04 H new ATOM 0 HG3 LYS A 94 3.433 6.687 6.912 1.00 1.04 H new ATOM 0 HD2 LYS A 94 3.416 4.859 5.368 1.00 2.13 H new ATOM 0 HD3 LYS A 94 4.564 3.936 6.318 1.00 2.13 H new ATOM 0 HE2 LYS A 94 2.517 4.345 8.141 1.00 55.41 H new ATOM 0 HE3 LYS A 94 1.633 4.204 6.635 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 1.931 2.053 7.680 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 2.763 2.098 6.201 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 3.619 2.235 7.660 1.00 3.32 H new ATOM 1191 N ALA A 95 7.186 4.581 8.110 1.00 43.24 N ATOM 1192 CA ALA A 95 8.156 3.520 8.350 1.00 22.34 C ATOM 1193 C ALA A 95 8.945 3.201 7.085 1.00 53.05 C ATOM 1194 O ALA A 95 8.707 2.185 6.432 1.00 63.35 O ATOM 1195 CB ALA A 95 7.457 2.271 8.867 1.00 52.25 C ATOM 0 H ALA A 95 6.219 4.262 8.051 1.00 43.24 H new ATOM 0 HA ALA A 95 8.858 3.869 9.107 1.00 22.34 H new ATOM 0 HB1 ALA A 95 8.194 1.487 9.042 1.00 52.25 H new ATOM 0 HB2 ALA A 95 6.944 2.501 9.801 1.00 52.25 H new ATOM 0 HB3 ALA A 95 6.731 1.929 8.129 1.00 52.25 H new ATOM 1201 N LEU A 96 9.884 4.076 6.743 1.00 64.45 N ATOM 1202 CA LEU A 96 10.709 3.888 5.554 1.00 14.02 C ATOM 1203 C LEU A 96 11.704 2.748 5.756 1.00 34.44 C ATOM 1204 O LEU A 96 11.839 2.216 6.857 1.00 71.42 O ATOM 1205 CB LEU A 96 11.457 5.180 5.218 1.00 51.12 C ATOM 1206 CG LEU A 96 12.670 5.499 6.092 1.00 73.52 C ATOM 1207 CD1 LEU A 96 13.935 5.553 5.249 1.00 13.14 C ATOM 1208 CD2 LEU A 96 12.463 6.813 6.831 1.00 22.44 C ATOM 0 H LEU A 96 10.093 4.923 7.272 1.00 64.45 H new ATOM 0 HA LEU A 96 10.052 3.630 4.723 1.00 14.02 H new ATOM 0 HB2 LEU A 96 11.786 5.127 4.180 1.00 51.12 H new ATOM 0 HB3 LEU A 96 10.755 6.011 5.288 1.00 51.12 H new ATOM 0 HG LEU A 96 12.783 4.704 6.829 1.00 73.52 H new ATOM 0 HD11 LEU A 96 14.788 5.781 5.888 1.00 13.14 H new ATOM 0 HD12 LEU A 96 14.091 4.589 4.765 1.00 13.14 H new ATOM 0 HD13 LEU A 96 13.833 6.328 4.489 1.00 13.14 H new ATOM 0 HD21 LEU A 96 13.336 7.025 7.448 1.00 22.44 H new ATOM 0 HD22 LEU A 96 12.325 7.618 6.110 1.00 22.44 H new ATOM 0 HD23 LEU A 96 11.580 6.739 7.465 1.00 22.44 H new ATOM 1220 N GLY A 97 12.402 2.382 4.685 1.00 30.52 N ATOM 1221 CA GLY A 97 13.376 1.310 4.766 1.00 24.04 C ATOM 1222 C GLY A 97 14.376 1.349 3.627 1.00 63.23 C ATOM 1223 O GLY A 97 13.996 1.323 2.457 1.00 25.44 O ATOM 0 H GLY A 97 12.310 2.809 3.763 1.00 30.52 H new ATOM 0 HA2 GLY A 97 13.908 1.377 5.715 1.00 24.04 H new ATOM 0 HA3 GLY A 97 12.858 0.351 4.758 1.00 24.04 H new ATOM 1227 N TYR A 98 15.657 1.413 3.970 1.00 25.14 N ATOM 1228 CA TYR A 98 16.715 1.459 2.966 1.00 64.42 C ATOM 1229 C TYR A 98 16.578 2.698 2.088 1.00 51.13 C ATOM 1230 O TYR A 98 15.729 3.555 2.330 1.00 44.34 O ATOM 1231 CB TYR A 98 16.681 0.198 2.101 1.00 63.01 C ATOM 1232 CG TYR A 98 17.989 -0.561 2.084 1.00 12.11 C ATOM 1233 CD1 TYR A 98 18.353 -1.376 3.148 1.00 14.42 C ATOM 1234 CD2 TYR A 98 18.860 -0.462 1.006 1.00 53.53 C ATOM 1235 CE1 TYR A 98 19.547 -2.073 3.139 1.00 72.14 C ATOM 1236 CE2 TYR A 98 20.055 -1.154 0.988 1.00 3.43 C ATOM 1237 CZ TYR A 98 20.393 -1.958 2.056 1.00 62.14 C ATOM 1238 OH TYR A 98 21.584 -2.650 2.042 1.00 14.41 O ATOM 0 H TYR A 98 15.989 1.434 4.934 1.00 25.14 H new ATOM 0 HA TYR A 98 17.672 1.509 3.485 1.00 64.42 H new ATOM 0 HB2 TYR A 98 15.893 -0.461 2.465 1.00 63.01 H new ATOM 0 HB3 TYR A 98 16.418 0.475 1.080 1.00 63.01 H new ATOM 0 HD1 TYR A 98 17.692 -1.467 3.997 1.00 14.42 H new ATOM 0 HD2 TYR A 98 18.598 0.167 0.168 1.00 53.53 H new ATOM 0 HE1 TYR A 98 19.815 -2.703 3.974 1.00 72.14 H new ATOM 0 HE2 TYR A 98 20.721 -1.066 0.142 1.00 3.43 H new ATOM 0 HH TYR A 98 22.062 -2.461 1.208 1.00 14.41 H new ATOM 1248 N ASP A 99 17.421 2.785 1.064 1.00 64.12 N ATOM 1249 CA ASP A 99 17.393 3.918 0.146 1.00 43.03 C ATOM 1250 C ASP A 99 17.625 5.228 0.892 1.00 30.11 C ATOM 1251 O ASP A 99 17.802 5.238 2.110 1.00 40.41 O ATOM 1252 CB ASP A 99 16.057 3.969 -0.596 1.00 22.25 C ATOM 1253 CG ASP A 99 16.195 4.527 -1.999 1.00 73.14 C ATOM 1254 OD1 ASP A 99 16.515 3.746 -2.920 1.00 62.33 O ATOM 1255 OD2 ASP A 99 15.981 5.745 -2.176 1.00 3.24 O ATOM 0 H ASP A 99 18.131 2.085 0.849 1.00 64.12 H new ATOM 0 HA ASP A 99 18.197 3.786 -0.578 1.00 43.03 H new ATOM 0 HB2 ASP A 99 15.635 2.965 -0.647 1.00 22.25 H new ATOM 0 HB3 ASP A 99 15.354 4.582 -0.032 1.00 22.25 H new ATOM 1260 N GLY A 100 17.624 6.333 0.153 1.00 30.40 N ATOM 1261 CA GLY A 100 17.837 7.633 0.761 1.00 21.03 C ATOM 1262 C GLY A 100 19.218 8.189 0.475 1.00 71.20 C ATOM 1263 O GLY A 100 20.009 7.568 -0.231 1.00 45.11 O ATOM 0 H GLY A 100 17.479 6.351 -0.857 1.00 30.40 H new ATOM 0 HA2 GLY A 100 17.085 8.330 0.392 1.00 21.03 H new ATOM 0 HA3 GLY A 100 17.697 7.554 1.839 1.00 21.03 H new ATOM 1267 N ASN A 101 19.506 9.364 1.024 1.00 21.13 N ATOM 1268 CA ASN A 101 20.801 10.006 0.823 1.00 21.40 C ATOM 1269 C ASN A 101 20.960 11.211 1.743 1.00 52.20 C ATOM 1270 O ASN A 101 21.782 11.202 2.658 1.00 73.11 O ATOM 1271 CB ASN A 101 20.956 10.438 -0.637 1.00 4.53 C ATOM 1272 CG ASN A 101 19.767 11.238 -1.132 1.00 13.32 C ATOM 1273 OD1 ASN A 101 18.903 10.715 -1.837 1.00 64.14 O ATOM 1274 ND2 ASN A 101 19.718 12.513 -0.767 1.00 14.14 N ATOM 0 H ASN A 101 18.861 9.892 1.612 1.00 21.13 H new ATOM 0 HA ASN A 101 21.580 9.283 1.066 1.00 21.40 H new ATOM 0 HB2 ASN A 101 21.862 11.035 -0.742 1.00 4.53 H new ATOM 0 HB3 ASN A 101 21.082 9.555 -1.263 1.00 4.53 H new ATOM 0 HD21 ASN A 101 18.942 13.101 -1.072 1.00 14.14 H new ATOM 0 HD22 ASN A 101 20.456 12.905 -0.182 1.00 14.14 H new TER 1281 ASN A 101