USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 660 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 38 THR OG1 : rot -65:sc= 0.543 USER MOD Set 1.2: A 71 MET CE :methyl 156:sc= -0.98 (180deg=-3.3!) USER MOD Single : A 7 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 21 TYR OH : rot 130:sc= -0.0469 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 43 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.95! C(o=-2!,f=-2.1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -166:sc= -0.0608 (180deg=-0.33) USER MOD Single : A 87 HIS : no HD1:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 91 GLN : amide:sc= -3.73! K(o=-3.7!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 59 N VAL A 6 12.056 -10.069 2.697 1.00 42.23 N ATOM 60 CA VAL A 6 12.534 -11.246 1.968 1.00 64.21 C ATOM 61 C VAL A 6 12.946 -10.937 0.521 1.00 41.01 C ATOM 62 O VAL A 6 12.737 -9.834 0.007 1.00 75.33 O ATOM 63 CB VAL A 6 11.467 -12.363 1.968 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.248 -12.898 3.381 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.156 -11.855 1.377 1.00 11.52 C ATOM 0 HA VAL A 6 13.426 -11.581 2.497 1.00 64.21 H new ATOM 0 HB VAL A 6 11.829 -13.181 1.345 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.493 -13.684 3.360 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.184 -13.304 3.765 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.911 -12.088 4.028 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.418 -12.657 1.386 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.789 -11.018 1.971 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.322 -11.527 0.351 1.00 11.52 H new ATOM 75 N ASN A 7 13.554 -11.944 -0.107 1.00 53.22 N ATOM 76 CA ASN A 7 13.995 -11.889 -1.506 1.00 71.21 C ATOM 77 C ASN A 7 12.844 -11.538 -2.448 1.00 44.52 C ATOM 78 O ASN A 7 11.677 -11.721 -2.105 1.00 33.22 O ATOM 79 CB ASN A 7 14.593 -13.249 -1.903 1.00 54.12 C ATOM 80 CG ASN A 7 16.049 -13.412 -1.481 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.802 -12.441 -1.412 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.454 -14.641 -1.189 1.00 52.12 N ATOM 0 H ASN A 7 13.758 -12.835 0.346 1.00 53.22 H new ATOM 0 HA ASN A 7 14.748 -11.105 -1.595 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.000 -14.045 -1.452 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.519 -13.369 -2.984 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.417 -14.804 -0.896 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.802 -15.423 -1.257 1.00 52.12 H new ATOM 89 N ALA A 8 13.189 -11.068 -3.651 1.00 60.32 N ATOM 90 CA ALA A 8 12.200 -10.634 -4.642 1.00 3.34 C ATOM 91 C ALA A 8 11.130 -11.698 -4.869 1.00 60.24 C ATOM 92 O ALA A 8 9.934 -11.410 -4.791 1.00 14.22 O ATOM 93 CB ALA A 8 12.880 -10.291 -5.964 1.00 31.02 C ATOM 0 H ALA A 8 14.156 -10.978 -3.964 1.00 60.32 H new ATOM 0 HA ALA A 8 11.713 -9.742 -4.248 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.130 -9.971 -6.687 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.598 -9.486 -5.806 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.399 -11.170 -6.345 1.00 31.02 H new ATOM 99 N PHE A 9 11.565 -12.925 -5.146 1.00 32.01 N ATOM 100 CA PHE A 9 10.634 -14.024 -5.394 1.00 51.44 C ATOM 101 C PHE A 9 9.718 -14.229 -4.199 1.00 64.40 C ATOM 102 O PHE A 9 8.506 -14.331 -4.343 1.00 61.22 O ATOM 103 CB PHE A 9 11.388 -15.323 -5.711 1.00 13.33 C ATOM 104 CG PHE A 9 10.494 -16.531 -5.908 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.706 -16.657 -7.043 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.460 -17.553 -4.968 1.00 60.44 C ATOM 107 CE1 PHE A 9 8.915 -17.770 -7.237 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.663 -18.665 -5.157 1.00 44.20 C ATOM 109 CZ PHE A 9 8.892 -18.775 -6.292 1.00 62.30 C ATOM 0 H PHE A 9 12.550 -13.183 -5.204 1.00 32.01 H new ATOM 0 HA PHE A 9 10.027 -13.759 -6.260 1.00 51.44 H new ATOM 0 HB2 PHE A 9 11.982 -15.174 -6.613 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.087 -15.531 -4.901 1.00 13.33 H new ATOM 0 HD1 PHE A 9 9.712 -15.872 -7.785 1.00 74.23 H new ATOM 0 HD2 PHE A 9 11.065 -17.477 -4.077 1.00 60.44 H new ATOM 0 HE1 PHE A 9 8.313 -17.855 -8.130 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.645 -19.449 -4.414 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.271 -19.646 -6.442 1.00 62.30 H new ATOM 119 N LEU A 10 10.310 -14.247 -3.017 1.00 11.31 N ATOM 120 CA LEU A 10 9.581 -14.523 -1.788 1.00 65.43 C ATOM 121 C LEU A 10 8.571 -13.411 -1.492 1.00 12.34 C ATOM 122 O LEU A 10 7.443 -13.680 -1.090 1.00 22.41 O ATOM 123 CB LEU A 10 10.566 -14.705 -0.623 1.00 53.03 C ATOM 124 CG LEU A 10 11.366 -16.028 -0.624 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.428 -17.216 -0.481 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.218 -16.170 -1.884 1.00 5.43 C ATOM 0 H LEU A 10 11.306 -14.072 -2.881 1.00 11.31 H new ATOM 0 HA LEU A 10 9.021 -15.450 -1.912 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.272 -13.875 -0.635 1.00 53.03 H new ATOM 0 HB3 LEU A 10 10.011 -14.638 0.312 1.00 53.03 H new ATOM 0 HG LEU A 10 12.041 -16.006 0.231 1.00 71.33 H new ATOM 0 HD11 LEU A 10 11.007 -18.139 -0.484 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.879 -17.135 0.457 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.725 -17.227 -1.314 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.766 -17.112 -1.849 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.573 -16.158 -2.763 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.924 -15.342 -1.941 1.00 5.43 H new ATOM 138 N ALA A 11 8.987 -12.167 -1.705 1.00 51.23 N ATOM 139 CA ALA A 11 8.097 -11.018 -1.554 1.00 43.20 C ATOM 140 C ALA A 11 6.958 -11.109 -2.561 1.00 60.02 C ATOM 141 O ALA A 11 5.809 -10.777 -2.258 1.00 21.33 O ATOM 142 CB ALA A 11 8.872 -9.718 -1.734 1.00 15.33 C ATOM 0 H ALA A 11 9.938 -11.927 -1.984 1.00 51.23 H new ATOM 0 HA ALA A 11 7.676 -11.026 -0.549 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.195 -8.872 -1.619 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.660 -9.657 -0.983 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.316 -9.694 -2.729 1.00 15.33 H new ATOM 148 N LYS A 12 7.290 -11.577 -3.762 1.00 75.22 N ATOM 149 CA LYS A 12 6.301 -11.780 -4.816 1.00 3.03 C ATOM 150 C LYS A 12 5.287 -12.831 -4.371 1.00 75.15 C ATOM 151 O LYS A 12 4.086 -12.665 -4.567 1.00 72.25 O ATOM 152 CB LYS A 12 6.986 -12.222 -6.121 1.00 62.31 C ATOM 153 CG LYS A 12 6.067 -12.249 -7.352 1.00 64.45 C ATOM 154 CD LYS A 12 6.257 -11.024 -8.252 1.00 25.11 C ATOM 155 CE LYS A 12 5.963 -9.711 -7.530 1.00 55.23 C ATOM 156 NZ LYS A 12 6.160 -8.534 -8.415 1.00 30.21 N ATOM 0 H LYS A 12 8.243 -11.824 -4.030 1.00 75.22 H new ATOM 0 HA LYS A 12 5.785 -10.838 -5.002 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.821 -11.551 -6.322 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.405 -13.218 -5.976 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.263 -13.153 -7.928 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.028 -12.298 -7.025 1.00 64.45 H new ATOM 0 HD2 LYS A 12 7.281 -11.007 -8.625 1.00 25.11 H new ATOM 0 HD3 LYS A 12 5.603 -11.111 -9.120 1.00 25.11 H new ATOM 0 HE2 LYS A 12 4.937 -9.721 -7.163 1.00 55.23 H new ATOM 0 HE3 LYS A 12 6.612 -9.623 -6.659 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 5.950 -7.663 -7.886 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 7.146 -8.509 -8.745 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 5.522 -8.604 -9.233 1.00 30.21 H new ATOM 170 N ILE A 13 5.788 -13.906 -3.758 1.00 44.14 N ATOM 171 CA ILE A 13 4.933 -14.970 -3.232 1.00 31.13 C ATOM 172 C ILE A 13 4.035 -14.421 -2.127 1.00 54.15 C ATOM 173 O ILE A 13 2.831 -14.676 -2.099 1.00 11.24 O ATOM 174 CB ILE A 13 5.764 -16.147 -2.648 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.753 -16.703 -3.687 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.849 -17.260 -2.127 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.100 -17.262 -4.930 1.00 1.42 C ATOM 0 H ILE A 13 6.786 -14.062 -3.614 1.00 44.14 H new ATOM 0 HA ILE A 13 4.336 -15.341 -4.065 1.00 31.13 H new ATOM 0 HB ILE A 13 6.341 -15.757 -1.809 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.441 -15.909 -3.978 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.350 -17.487 -3.220 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.456 -18.071 -1.724 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.205 -16.864 -1.342 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.234 -17.638 -2.944 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.868 -17.632 -5.609 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.434 -18.080 -4.655 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.527 -16.478 -5.424 1.00 1.42 H new ATOM 189 N ALA A 14 4.640 -13.657 -1.222 1.00 10.43 N ATOM 190 CA ALA A 14 3.931 -13.093 -0.082 1.00 65.03 C ATOM 191 C ALA A 14 2.776 -12.207 -0.546 1.00 45.24 C ATOM 192 O ALA A 14 1.664 -12.297 -0.027 1.00 22.51 O ATOM 193 CB ALA A 14 4.892 -12.305 0.804 1.00 21.21 C ATOM 0 H ALA A 14 5.630 -13.414 -1.259 1.00 10.43 H new ATOM 0 HA ALA A 14 3.514 -13.913 0.503 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.347 -11.889 1.652 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.678 -12.967 1.167 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.338 -11.495 0.227 1.00 21.21 H new ATOM 199 N ALA A 15 3.043 -11.361 -1.540 1.00 74.24 N ATOM 200 CA ALA A 15 2.025 -10.462 -2.082 1.00 32.11 C ATOM 201 C ALA A 15 0.971 -11.241 -2.863 1.00 51.43 C ATOM 202 O ALA A 15 -0.227 -10.990 -2.733 1.00 74.42 O ATOM 203 CB ALA A 15 2.673 -9.407 -2.972 1.00 53.00 C ATOM 0 H ALA A 15 3.956 -11.279 -1.987 1.00 74.24 H new ATOM 0 HA ALA A 15 1.530 -9.964 -1.248 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.904 -8.744 -3.369 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.386 -8.826 -2.387 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.192 -9.896 -3.797 1.00 53.00 H new ATOM 209 N TRP A 16 1.437 -12.189 -3.669 1.00 42.31 N ATOM 210 CA TRP A 16 0.571 -13.067 -4.459 1.00 14.44 C ATOM 211 C TRP A 16 -0.444 -13.786 -3.565 1.00 61.31 C ATOM 212 O TRP A 16 -1.641 -13.823 -3.864 1.00 4.24 O ATOM 213 CB TRP A 16 1.461 -14.064 -5.229 1.00 24.40 C ATOM 214 CG TRP A 16 0.790 -15.331 -5.677 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.164 -15.474 -6.643 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.067 -16.646 -5.184 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.499 -16.802 -6.778 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.246 -17.540 -5.889 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.934 -17.148 -4.213 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.266 -18.913 -5.646 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.953 -18.506 -3.973 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.128 -19.376 -4.687 1.00 12.14 C ATOM 0 H TRP A 16 2.432 -12.374 -3.796 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.006 -12.478 -5.171 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.864 -13.559 -6.107 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.308 -14.328 -4.597 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.592 -14.665 -7.216 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.187 -17.177 -7.431 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.580 -16.484 -3.658 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.375 -19.587 -6.194 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.618 -18.903 -3.220 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.170 -20.435 -4.480 1.00 12.14 H new ATOM 233 N LEU A 17 0.042 -14.327 -2.459 1.00 61.21 N ATOM 234 CA LEU A 17 -0.808 -15.014 -1.491 1.00 62.45 C ATOM 235 C LEU A 17 -1.680 -14.023 -0.727 1.00 2.03 C ATOM 236 O LEU A 17 -2.874 -14.253 -0.538 1.00 1.20 O ATOM 237 CB LEU A 17 0.062 -15.826 -0.522 1.00 54.03 C ATOM 238 CG LEU A 17 0.087 -17.335 -0.799 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.188 -18.021 0.003 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.278 -17.945 -0.483 1.00 20.20 C ATOM 0 H LEU A 17 1.030 -14.304 -2.205 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.470 -15.692 -2.029 1.00 62.45 H new ATOM 0 HB2 LEU A 17 1.082 -15.445 -0.564 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.298 -15.662 0.494 1.00 54.03 H new ATOM 0 HG LEU A 17 0.304 -17.491 -1.856 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.183 -19.090 -0.212 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.155 -17.600 -0.272 1.00 31.01 H new ATOM 0 HD13 LEU A 17 1.014 -17.865 1.068 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.253 -19.016 -0.682 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.518 -17.777 0.567 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.039 -17.478 -1.108 1.00 20.20 H new ATOM 252 N ASN A 18 -1.077 -12.919 -0.304 1.00 65.13 N ATOM 253 CA ASN A 18 -1.778 -11.905 0.481 1.00 45.11 C ATOM 254 C ASN A 18 -2.964 -11.340 -0.300 1.00 52.24 C ATOM 255 O ASN A 18 -4.017 -11.060 0.270 1.00 12.31 O ATOM 256 CB ASN A 18 -0.806 -10.780 0.877 1.00 44.01 C ATOM 257 CG ASN A 18 -1.449 -9.633 1.650 1.00 55.42 C ATOM 258 OD1 ASN A 18 -0.992 -8.491 1.564 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.492 -9.917 2.419 1.00 62.40 N ATOM 0 H ASN A 18 -0.099 -12.700 -0.492 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.163 -12.372 1.388 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.005 -11.205 1.482 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.346 -10.380 -0.026 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -2.941 -9.180 2.962 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -2.845 -10.873 2.467 1.00 62.40 H new ATOM 266 N ALA A 19 -2.784 -11.190 -1.608 1.00 61.24 N ATOM 267 CA ALA A 19 -3.844 -10.700 -2.484 1.00 24.21 C ATOM 268 C ALA A 19 -4.911 -11.777 -2.685 1.00 11.54 C ATOM 269 O ALA A 19 -6.104 -11.474 -2.787 1.00 11.42 O ATOM 270 CB ALA A 19 -3.261 -10.267 -3.826 1.00 61.32 C ATOM 0 H ALA A 19 -1.909 -11.402 -2.088 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.313 -9.836 -2.014 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -4.062 -9.904 -4.470 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.534 -9.471 -3.667 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.771 -11.117 -4.301 1.00 61.32 H new ATOM 276 N GLY A 20 -4.467 -13.032 -2.733 1.00 74.52 N ATOM 277 CA GLY A 20 -5.375 -14.151 -2.936 1.00 23.12 C ATOM 278 C GLY A 20 -6.179 -14.484 -1.696 1.00 55.43 C ATOM 279 O GLY A 20 -7.276 -15.047 -1.791 1.00 43.31 O ATOM 0 H GLY A 20 -3.487 -13.295 -2.634 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.056 -13.917 -3.754 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -4.803 -15.028 -3.239 1.00 23.12 H new ATOM 283 N TYR A 21 -5.631 -14.146 -0.531 1.00 62.21 N ATOM 284 CA TYR A 21 -6.298 -14.399 0.743 1.00 10.20 C ATOM 285 C TYR A 21 -6.050 -13.269 1.744 1.00 4.45 C ATOM 286 O TYR A 21 -5.324 -13.450 2.723 1.00 64.21 O ATOM 287 CB TYR A 21 -5.819 -15.719 1.362 1.00 61.50 C ATOM 288 CG TYR A 21 -6.309 -16.969 0.659 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.635 -17.366 0.757 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.435 -17.771 -0.068 1.00 62.43 C ATOM 291 CE1 TYR A 21 -8.079 -18.517 0.144 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.875 -18.924 -0.683 1.00 2.43 C ATOM 293 CZ TYR A 21 -7.197 -19.295 -0.574 1.00 65.41 C ATOM 294 OH TYR A 21 -7.642 -20.437 -1.197 1.00 73.14 O ATOM 0 H TYR A 21 -4.721 -13.693 -0.444 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.365 -14.458 0.531 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.729 -15.726 1.367 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.143 -15.754 2.402 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.330 -16.763 1.323 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.397 -17.486 -0.152 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -9.116 -18.809 0.226 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -5.186 -19.534 -1.248 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.344 -20.437 -2.131 1.00 73.14 H new ATOM 304 N PRO A 22 -6.636 -12.084 1.518 1.00 33.03 N ATOM 305 CA PRO A 22 -6.602 -11.004 2.505 1.00 62.52 C ATOM 306 C PRO A 22 -7.614 -11.260 3.621 1.00 1.51 C ATOM 307 O PRO A 22 -7.619 -10.582 4.652 1.00 55.41 O ATOM 308 CB PRO A 22 -6.971 -9.762 1.683 1.00 44.14 C ATOM 309 CG PRO A 22 -7.826 -10.284 0.574 1.00 13.52 C ATOM 310 CD PRO A 22 -7.356 -11.690 0.288 1.00 34.34 C ATOM 0 HA PRO A 22 -5.638 -10.904 3.004 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.509 -9.032 2.288 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.082 -9.264 1.297 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -8.878 -10.278 0.861 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -7.734 -9.657 -0.313 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.194 -12.357 0.085 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -6.703 -11.723 -0.584 1.00 34.34 H new ATOM 318 N GLU A 23 -8.459 -12.266 3.402 1.00 61.20 N ATOM 319 CA GLU A 23 -9.498 -12.647 4.356 1.00 14.11 C ATOM 320 C GLU A 23 -9.055 -13.859 5.179 1.00 1.14 C ATOM 321 O GLU A 23 -9.793 -14.336 6.044 1.00 3.25 O ATOM 322 CB GLU A 23 -10.798 -12.987 3.610 1.00 54.54 C ATOM 323 CG GLU A 23 -11.163 -11.999 2.506 1.00 45.01 C ATOM 324 CD GLU A 23 -11.250 -10.564 2.997 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.168 -10.252 3.780 1.00 44.43 O ATOM 326 OE2 GLU A 23 -10.401 -9.740 2.605 1.00 54.44 O ATOM 0 H GLU A 23 -8.442 -12.839 2.559 1.00 61.20 H new ATOM 0 HA GLU A 23 -9.671 -11.806 5.027 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.704 -13.982 3.175 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -11.616 -13.029 4.329 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -10.420 -12.061 1.711 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -12.120 -12.287 2.071 1.00 45.01 H new ATOM 333 N GLY A 24 -7.847 -14.349 4.904 1.00 55.34 N ATOM 334 CA GLY A 24 -7.373 -15.575 5.520 1.00 5.42 C ATOM 335 C GLY A 24 -7.775 -16.791 4.709 1.00 72.15 C ATOM 336 O GLY A 24 -8.763 -16.748 3.973 1.00 1.40 O ATOM 0 H GLY A 24 -7.186 -13.914 4.261 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -6.288 -15.541 5.614 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -7.778 -15.658 6.529 1.00 5.42 H new ATOM 340 N VAL A 25 -7.010 -17.871 4.822 1.00 31.52 N ATOM 341 CA VAL A 25 -7.294 -19.093 4.071 1.00 42.05 C ATOM 342 C VAL A 25 -8.003 -20.099 4.980 1.00 51.00 C ATOM 343 O VAL A 25 -7.524 -20.373 6.084 1.00 41.02 O ATOM 344 CB VAL A 25 -5.999 -19.749 3.513 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.300 -20.674 2.340 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.949 -18.704 3.155 1.00 50.32 C ATOM 0 H VAL A 25 -6.189 -17.927 5.425 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.928 -18.819 3.228 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.579 -20.365 4.308 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.372 -21.114 1.976 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.974 -21.466 2.665 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.770 -20.104 1.538 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -4.059 -19.200 2.769 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.348 -18.032 2.395 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.688 -18.131 4.045 1.00 50.32 H new ATOM 356 N PRO A 26 -9.155 -20.649 4.554 1.00 73.25 N ATOM 357 CA PRO A 26 -9.838 -21.709 5.303 1.00 54.21 C ATOM 358 C PRO A 26 -9.073 -23.033 5.207 1.00 64.34 C ATOM 359 O PRO A 26 -8.310 -23.239 4.266 1.00 2.12 O ATOM 360 CB PRO A 26 -11.208 -21.808 4.617 1.00 23.03 C ATOM 361 CG PRO A 26 -10.969 -21.326 3.226 1.00 64.34 C ATOM 362 CD PRO A 26 -9.886 -20.280 3.324 1.00 63.21 C ATOM 0 HA PRO A 26 -9.914 -21.494 6.369 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.581 -22.832 4.623 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.952 -21.195 5.127 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.661 -22.146 2.577 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.879 -20.906 2.798 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -9.234 -20.295 2.451 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -10.304 -19.276 3.392 1.00 63.21 H new ATOM 370 N GLY A 27 -9.284 -23.925 6.176 1.00 3.45 N ATOM 371 CA GLY A 27 -8.544 -25.188 6.239 1.00 3.53 C ATOM 372 C GLY A 27 -8.517 -25.959 4.921 1.00 40.15 C ATOM 373 O GLY A 27 -7.427 -26.268 4.406 1.00 54.14 O ATOM 0 H GLY A 27 -9.961 -23.797 6.928 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.519 -24.982 6.548 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.988 -25.819 7.008 1.00 3.53 H new ATOM 377 N PRO A 28 -9.701 -26.274 4.342 1.00 4.10 N ATOM 378 CA PRO A 28 -9.809 -27.045 3.084 1.00 31.40 C ATOM 379 C PRO A 28 -9.084 -26.384 1.911 1.00 1.42 C ATOM 380 O PRO A 28 -8.902 -26.997 0.863 1.00 5.10 O ATOM 381 CB PRO A 28 -11.323 -27.104 2.817 1.00 12.20 C ATOM 382 CG PRO A 28 -11.950 -26.876 4.151 1.00 51.25 C ATOM 383 CD PRO A 28 -11.037 -25.922 4.868 1.00 54.20 C ATOM 0 HA PRO A 28 -9.341 -28.025 3.181 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.629 -26.342 2.100 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.615 -28.069 2.402 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.951 -26.458 4.047 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.051 -27.811 4.702 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -11.293 -24.884 4.656 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -11.090 -26.049 5.949 1.00 54.20 H new ATOM 391 N ASP A 29 -8.694 -25.124 2.091 1.00 63.12 N ATOM 392 CA ASP A 29 -7.887 -24.413 1.098 1.00 75.13 C ATOM 393 C ASP A 29 -6.435 -24.324 1.561 1.00 41.35 C ATOM 394 O ASP A 29 -5.518 -24.347 0.745 1.00 20.04 O ATOM 395 CB ASP A 29 -8.447 -23.008 0.828 1.00 13.15 C ATOM 396 CG ASP A 29 -9.699 -23.027 -0.039 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.805 -23.231 0.500 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.584 -22.833 -1.267 1.00 42.44 O ATOM 0 H ASP A 29 -8.924 -24.572 2.917 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.928 -24.976 0.166 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.676 -22.525 1.778 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.682 -22.405 0.340 1.00 13.15 H new ATOM 403 N ARG A 30 -6.230 -24.251 2.878 1.00 54.40 N ATOM 404 CA ARG A 30 -4.886 -24.144 3.456 1.00 24.35 C ATOM 405 C ARG A 30 -4.054 -25.376 3.127 1.00 11.25 C ATOM 406 O ARG A 30 -2.932 -25.265 2.616 1.00 45.02 O ATOM 407 CB ARG A 30 -4.952 -23.966 4.983 1.00 44.21 C ATOM 408 CG ARG A 30 -5.425 -22.590 5.437 1.00 23.22 C ATOM 409 CD ARG A 30 -5.535 -22.492 6.959 1.00 3.15 C ATOM 410 NE ARG A 30 -4.240 -22.629 7.637 1.00 71.13 N ATOM 411 CZ ARG A 30 -4.059 -23.308 8.775 1.00 23.15 C ATOM 412 NH1 ARG A 30 -5.079 -23.945 9.338 1.00 65.41 N ATOM 413 NH2 ARG A 30 -2.864 -23.355 9.349 1.00 74.54 N ATOM 0 H ARG A 30 -6.981 -24.264 3.568 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.413 -23.265 3.018 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.621 -24.721 5.396 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.963 -24.153 5.401 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.732 -21.831 5.075 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.395 -22.375 4.989 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -5.978 -21.532 7.225 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -6.212 -23.267 7.320 1.00 3.15 H new ATOM 0 HE ARG A 30 -3.428 -22.179 7.214 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -6.001 -23.917 8.903 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -4.941 -24.463 10.206 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -2.074 -22.871 8.923 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -2.735 -23.875 10.217 1.00 74.54 H new ATOM 427 N VAL A 31 -4.608 -26.554 3.417 1.00 12.44 N ATOM 428 CA VAL A 31 -3.866 -27.804 3.240 1.00 14.30 C ATOM 429 C VAL A 31 -3.397 -27.980 1.784 1.00 1.22 C ATOM 430 O VAL A 31 -2.211 -28.212 1.542 1.00 3.34 O ATOM 431 CB VAL A 31 -4.680 -29.046 3.690 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.840 -30.315 3.589 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.201 -28.874 5.110 1.00 61.25 C ATOM 0 H VAL A 31 -5.557 -26.669 3.772 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.990 -27.730 3.885 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.534 -29.141 3.019 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.434 -31.171 3.910 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.523 -30.460 2.556 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.962 -30.222 4.228 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.768 -29.759 5.399 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.361 -28.742 5.792 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.848 -27.998 5.157 1.00 61.25 H new ATOM 443 N PRO A 32 -4.306 -27.864 0.784 1.00 64.13 N ATOM 444 CA PRO A 32 -3.919 -27.957 -0.632 1.00 15.21 C ATOM 445 C PRO A 32 -3.074 -26.764 -1.085 1.00 21.04 C ATOM 446 O PRO A 32 -2.258 -26.897 -1.995 1.00 13.40 O ATOM 447 CB PRO A 32 -5.259 -27.988 -1.373 1.00 64.15 C ATOM 448 CG PRO A 32 -6.201 -27.290 -0.458 1.00 73.12 C ATOM 449 CD PRO A 32 -5.764 -27.662 0.932 1.00 53.53 C ATOM 0 HA PRO A 32 -3.297 -28.831 -0.826 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.193 -27.483 -2.337 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.581 -29.011 -1.571 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.163 -26.211 -0.605 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.229 -27.601 -0.642 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.991 -26.874 1.650 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.262 -28.566 1.283 1.00 53.53 H new ATOM 457 N LEU A 33 -3.278 -25.601 -0.458 1.00 51.45 N ATOM 458 CA LEU A 33 -2.468 -24.416 -0.764 1.00 71.25 C ATOM 459 C LEU A 33 -0.999 -24.733 -0.523 1.00 22.31 C ATOM 460 O LEU A 33 -0.148 -24.499 -1.384 1.00 14.43 O ATOM 461 CB LEU A 33 -2.912 -23.212 0.099 1.00 44.31 C ATOM 462 CG LEU A 33 -2.278 -21.839 -0.225 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.864 -21.707 0.344 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.271 -21.587 -1.731 1.00 5.41 C ATOM 0 H LEU A 33 -3.990 -25.454 0.258 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.611 -24.148 -1.811 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.994 -23.114 0.011 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.697 -23.446 1.142 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.896 -21.081 0.257 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.460 -20.727 0.091 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.896 -21.818 1.428 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.227 -22.483 -0.081 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.821 -20.616 -1.935 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.693 -22.367 -2.228 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.294 -21.599 -2.107 1.00 5.41 H new ATOM 476 N LEU A 34 -0.710 -25.298 0.643 1.00 52.24 N ATOM 477 CA LEU A 34 0.658 -25.670 0.984 1.00 54.12 C ATOM 478 C LEU A 34 1.115 -26.873 0.177 1.00 50.24 C ATOM 479 O LEU A 34 2.268 -26.936 -0.246 1.00 13.00 O ATOM 480 CB LEU A 34 0.795 -25.947 2.482 1.00 2.21 C ATOM 481 CG LEU A 34 1.361 -24.782 3.304 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.766 -24.432 2.826 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.436 -23.568 3.223 1.00 74.02 C ATOM 0 H LEU A 34 -1.400 -25.508 1.365 1.00 52.24 H new ATOM 0 HA LEU A 34 1.301 -24.827 0.732 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.185 -26.211 2.879 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.439 -26.816 2.619 1.00 2.21 H new ATOM 0 HG LEU A 34 1.422 -25.088 4.348 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.156 -23.604 3.418 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.416 -25.299 2.942 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.731 -24.143 1.776 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.854 -22.752 3.812 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.339 -23.253 2.184 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.546 -23.832 3.615 1.00 74.02 H new ATOM 495 N ALA A 35 0.214 -27.827 -0.035 1.00 22.33 N ATOM 496 CA ALA A 35 0.529 -29.006 -0.832 1.00 2.14 C ATOM 497 C ALA A 35 1.024 -28.584 -2.212 1.00 71.13 C ATOM 498 O ALA A 35 1.971 -29.153 -2.750 1.00 71.44 O ATOM 499 CB ALA A 35 -0.689 -29.916 -0.952 1.00 72.12 C ATOM 0 H ALA A 35 -0.737 -27.807 0.333 1.00 22.33 H new ATOM 0 HA ALA A 35 1.320 -29.566 -0.332 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.433 -30.790 -1.551 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -1.003 -30.236 0.041 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.503 -29.373 -1.433 1.00 72.12 H new ATOM 505 N LEU A 36 0.363 -27.580 -2.769 1.00 60.32 N ATOM 506 CA LEU A 36 0.740 -27.001 -4.054 1.00 5.22 C ATOM 507 C LEU A 36 2.040 -26.194 -3.925 1.00 32.42 C ATOM 508 O LEU A 36 2.950 -26.309 -4.749 1.00 24.53 O ATOM 509 CB LEU A 36 -0.427 -26.123 -4.565 1.00 43.41 C ATOM 510 CG LEU A 36 -0.290 -25.511 -5.974 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.624 -24.287 -5.969 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.203 -26.559 -6.969 1.00 70.30 C ATOM 0 H LEU A 36 -0.453 -27.141 -2.343 1.00 60.32 H new ATOM 0 HA LEU A 36 0.929 -27.794 -4.777 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.335 -26.725 -4.546 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.571 -25.308 -3.856 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.278 -25.176 -6.289 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.696 -23.883 -6.979 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.213 -23.528 -5.303 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.616 -24.575 -5.621 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.293 -26.108 -7.957 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.176 -26.934 -6.651 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.508 -27.384 -7.010 1.00 70.30 H new ATOM 524 N LEU A 37 2.112 -25.388 -2.873 1.00 22.00 N ATOM 525 CA LEU A 37 3.196 -24.422 -2.687 1.00 0.21 C ATOM 526 C LEU A 37 4.549 -25.120 -2.475 1.00 50.35 C ATOM 527 O LEU A 37 5.530 -24.827 -3.169 1.00 73.01 O ATOM 528 CB LEU A 37 2.847 -23.510 -1.489 1.00 72.43 C ATOM 529 CG LEU A 37 3.654 -22.200 -1.341 1.00 43.44 C ATOM 530 CD1 LEU A 37 2.955 -21.255 -0.366 1.00 4.05 C ATOM 531 CD2 LEU A 37 5.084 -22.468 -0.868 1.00 24.13 C ATOM 0 H LEU A 37 1.422 -25.383 -2.122 1.00 22.00 H new ATOM 0 HA LEU A 37 3.295 -23.820 -3.590 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.791 -23.250 -1.558 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.973 -24.090 -0.575 1.00 72.43 H new ATOM 0 HG LEU A 37 3.706 -21.734 -2.325 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.534 -20.336 -0.271 1.00 4.05 H new ATOM 0 HD12 LEU A 37 1.959 -21.019 -0.739 1.00 4.05 H new ATOM 0 HD13 LEU A 37 2.873 -21.734 0.609 1.00 4.05 H new ATOM 0 HD21 LEU A 37 5.620 -21.523 -0.776 1.00 24.13 H new ATOM 0 HD22 LEU A 37 5.059 -22.967 0.101 1.00 24.13 H new ATOM 0 HD23 LEU A 37 5.593 -23.105 -1.591 1.00 24.13 H new ATOM 543 N THR A 38 4.587 -26.061 -1.535 1.00 10.21 N ATOM 544 CA THR A 38 5.838 -26.684 -1.094 1.00 5.04 C ATOM 545 C THR A 38 6.481 -27.535 -2.187 1.00 62.54 C ATOM 546 O THR A 38 7.615 -27.992 -2.039 1.00 50.11 O ATOM 547 CB THR A 38 5.619 -27.556 0.163 1.00 61.23 C ATOM 548 OG1 THR A 38 4.565 -28.501 -0.077 1.00 1.52 O ATOM 549 CG2 THR A 38 5.273 -26.701 1.379 1.00 31.33 C ATOM 0 H THR A 38 3.757 -26.414 -1.058 1.00 10.21 H new ATOM 0 HA THR A 38 6.515 -25.864 -0.855 1.00 5.04 H new ATOM 0 HB THR A 38 6.549 -28.085 0.372 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.721 -28.022 -0.212 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.125 -27.345 2.246 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.088 -26.005 1.578 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.358 -26.142 1.182 1.00 31.33 H new ATOM 557 N ARG A 39 5.749 -27.761 -3.273 1.00 14.25 N ATOM 558 CA ARG A 39 6.255 -28.548 -4.389 1.00 24.04 C ATOM 559 C ARG A 39 7.516 -27.918 -4.979 1.00 71.34 C ATOM 560 O ARG A 39 8.537 -28.586 -5.141 1.00 72.22 O ATOM 561 CB ARG A 39 5.181 -28.671 -5.477 1.00 54.52 C ATOM 562 CG ARG A 39 3.905 -29.364 -5.011 1.00 31.23 C ATOM 563 CD ARG A 39 4.183 -30.746 -4.432 1.00 22.04 C ATOM 564 NE ARG A 39 4.780 -31.650 -5.419 1.00 23.20 N ATOM 565 CZ ARG A 39 5.752 -32.519 -5.145 1.00 2.41 C ATOM 566 NH1 ARG A 39 6.308 -32.546 -3.940 1.00 33.22 N ATOM 567 NH2 ARG A 39 6.176 -33.354 -6.084 1.00 12.20 N ATOM 0 H ARG A 39 4.801 -27.409 -3.403 1.00 14.25 H new ATOM 0 HA ARG A 39 6.508 -29.540 -4.015 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.930 -27.674 -5.840 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.595 -29.223 -6.321 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.413 -28.748 -4.258 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.215 -29.455 -5.850 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.852 -30.652 -3.577 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.253 -31.177 -4.063 1.00 22.04 H new ATOM 0 HE ARG A 39 4.429 -31.611 -6.376 1.00 23.20 H new ATOM 0 HH11 ARG A 39 5.991 -31.899 -3.218 1.00 33.22 H new ATOM 0 HH12 ARG A 39 7.052 -33.214 -3.736 1.00 33.22 H new ATOM 0 HH21 ARG A 39 5.758 -33.330 -7.014 1.00 12.20 H new ATOM 0 HH22 ARG A 39 6.920 -34.020 -5.876 1.00 12.20 H new ATOM 581 N ARG A 40 7.435 -26.626 -5.288 1.00 53.35 N ATOM 582 CA ARG A 40 8.519 -25.937 -5.986 1.00 42.31 C ATOM 583 C ARG A 40 9.365 -25.085 -5.037 1.00 74.53 C ATOM 584 O ARG A 40 10.555 -24.881 -5.284 1.00 12.24 O ATOM 585 CB ARG A 40 7.936 -25.078 -7.110 1.00 64.35 C ATOM 586 CG ARG A 40 7.028 -25.867 -8.043 1.00 51.10 C ATOM 587 CD ARG A 40 6.504 -25.019 -9.189 1.00 53.50 C ATOM 588 NE ARG A 40 7.577 -24.585 -10.088 1.00 44.33 N ATOM 589 CZ ARG A 40 7.657 -24.919 -11.378 1.00 71.12 C ATOM 590 NH1 ARG A 40 6.765 -25.746 -11.910 1.00 73.41 N ATOM 591 NH2 ARG A 40 8.639 -24.439 -12.127 1.00 72.30 N ATOM 0 H ARG A 40 6.633 -26.036 -5.067 1.00 53.35 H new ATOM 0 HA ARG A 40 9.183 -26.691 -6.409 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.373 -24.252 -6.675 1.00 64.35 H new ATOM 0 HB3 ARG A 40 8.751 -24.640 -7.687 1.00 64.35 H new ATOM 0 HG2 ARG A 40 7.576 -26.719 -8.445 1.00 51.10 H new ATOM 0 HG3 ARG A 40 6.188 -26.267 -7.476 1.00 51.10 H new ATOM 0 HD2 ARG A 40 5.767 -25.589 -9.754 1.00 53.50 H new ATOM 0 HD3 ARG A 40 5.992 -24.145 -8.788 1.00 53.50 H new ATOM 0 HE ARG A 40 8.310 -23.989 -9.703 1.00 44.33 H new ATOM 0 HH11 ARG A 40 6.016 -26.128 -11.333 1.00 73.41 H new ATOM 0 HH12 ARG A 40 6.829 -25.999 -12.896 1.00 73.41 H new ATOM 0 HH21 ARG A 40 9.334 -23.814 -11.718 1.00 72.30 H new ATOM 0 HH22 ARG A 40 8.700 -24.694 -13.113 1.00 72.30 H new ATOM 605 N LEU A 41 8.758 -24.589 -3.958 1.00 34.24 N ATOM 606 CA LEU A 41 9.482 -23.765 -2.988 1.00 61.12 C ATOM 607 C LEU A 41 10.131 -24.643 -1.922 1.00 73.41 C ATOM 608 O LEU A 41 9.500 -25.553 -1.385 1.00 54.35 O ATOM 609 CB LEU A 41 8.562 -22.721 -2.330 1.00 3.20 C ATOM 610 CG LEU A 41 8.175 -21.527 -3.220 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.184 -21.949 -4.293 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.618 -20.378 -2.382 1.00 65.23 C ATOM 0 H LEU A 41 7.775 -24.742 -3.734 1.00 34.24 H new ATOM 0 HA LEU A 41 10.261 -23.228 -3.529 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.649 -23.220 -2.004 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.054 -22.341 -1.435 1.00 3.20 H new ATOM 0 HG LEU A 41 9.078 -21.172 -3.717 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.926 -21.088 -4.909 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.632 -22.721 -4.918 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.283 -22.341 -3.822 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.352 -19.547 -3.035 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.731 -20.716 -1.845 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.372 -20.050 -1.667 1.00 65.23 H new ATOM 624 N THR A 42 11.396 -24.361 -1.634 1.00 74.31 N ATOM 625 CA THR A 42 12.160 -25.110 -0.645 1.00 41.11 C ATOM 626 C THR A 42 11.666 -24.817 0.768 1.00 41.00 C ATOM 627 O THR A 42 10.835 -23.925 0.975 1.00 32.31 O ATOM 628 CB THR A 42 13.658 -24.749 -0.729 1.00 51.30 C ATOM 629 OG1 THR A 42 13.834 -23.346 -0.484 1.00 51.23 O ATOM 630 CG2 THR A 42 14.225 -25.098 -2.098 1.00 74.30 C ATOM 0 H THR A 42 11.920 -23.608 -2.079 1.00 74.31 H new ATOM 0 HA THR A 42 12.022 -26.169 -0.863 1.00 41.11 H new ATOM 0 HB THR A 42 14.191 -25.326 0.027 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.787 -23.122 -0.537 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.282 -24.834 -2.132 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.112 -26.167 -2.277 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.687 -24.543 -2.867 1.00 74.30 H new ATOM 638 N ASN A 43 12.194 -25.560 1.737 1.00 61.44 N ATOM 639 CA ASN A 43 11.881 -25.332 3.142 1.00 23.11 C ATOM 640 C ASN A 43 12.309 -23.922 3.546 1.00 72.30 C ATOM 641 O ASN A 43 11.608 -23.231 4.292 1.00 71.12 O ATOM 642 CB ASN A 43 12.577 -26.382 4.018 1.00 34.35 C ATOM 643 CG ASN A 43 12.152 -26.310 5.473 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.749 -25.594 6.273 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.123 -27.062 5.832 1.00 61.42 N ATOM 0 H ASN A 43 12.844 -26.329 1.572 1.00 61.44 H new ATOM 0 HA ASN A 43 10.805 -25.425 3.288 1.00 23.11 H new ATOM 0 HB2 ASN A 43 12.357 -27.376 3.629 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.656 -26.245 3.952 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.802 -27.059 6.800 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.651 -27.644 5.140 1.00 61.42 H new ATOM 652 N ASP A 44 13.452 -23.492 3.018 1.00 0.21 N ATOM 653 CA ASP A 44 13.960 -22.139 3.252 1.00 22.12 C ATOM 654 C ASP A 44 12.971 -21.100 2.735 1.00 42.40 C ATOM 655 O ASP A 44 12.638 -20.139 3.435 1.00 60.34 O ATOM 656 CB ASP A 44 15.320 -21.949 2.565 1.00 1.30 C ATOM 657 CG ASP A 44 15.896 -20.554 2.780 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.476 -20.307 3.862 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.774 -19.699 1.878 1.00 4.40 O ATOM 0 H ASP A 44 14.049 -24.064 2.421 1.00 0.21 H new ATOM 0 HA ASP A 44 14.085 -22.004 4.326 1.00 22.12 H new ATOM 0 HB2 ASP A 44 16.022 -22.691 2.946 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.212 -22.132 1.496 1.00 1.30 H new ATOM 664 N GLU A 45 12.498 -21.312 1.509 1.00 2.43 N ATOM 665 CA GLU A 45 11.572 -20.388 0.863 1.00 12.41 C ATOM 666 C GLU A 45 10.233 -20.309 1.612 1.00 74.32 C ATOM 667 O GLU A 45 9.784 -19.215 1.986 1.00 52.21 O ATOM 668 CB GLU A 45 11.374 -20.797 -0.604 1.00 10.44 C ATOM 669 CG GLU A 45 12.607 -20.541 -1.469 1.00 2.34 C ATOM 670 CD GLU A 45 12.488 -21.122 -2.868 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.849 -22.306 -3.054 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.041 -20.405 -3.784 1.00 64.14 O ATOM 0 H GLU A 45 12.744 -22.122 0.940 1.00 2.43 H new ATOM 0 HA GLU A 45 12.003 -19.387 0.892 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.120 -21.856 -0.649 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.528 -20.248 -1.017 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.775 -19.466 -1.542 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.482 -20.968 -0.979 1.00 2.34 H new ATOM 679 N ILE A 46 9.606 -21.467 1.854 1.00 40.25 N ATOM 680 CA ILE A 46 8.329 -21.507 2.571 1.00 2.42 C ATOM 681 C ILE A 46 8.471 -20.833 3.937 1.00 23.22 C ATOM 682 O ILE A 46 7.608 -20.053 4.345 1.00 2.24 O ATOM 683 CB ILE A 46 7.773 -22.963 2.717 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.464 -23.009 3.539 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.812 -23.890 3.331 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.660 -23.089 5.050 1.00 5.20 C ATOM 0 H ILE A 46 9.959 -22.380 1.566 1.00 40.25 H new ATOM 0 HA ILE A 46 7.601 -20.954 1.977 1.00 2.42 H new ATOM 0 HB ILE A 46 7.544 -23.311 1.710 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.876 -22.120 3.310 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.879 -23.870 3.216 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.397 -24.894 3.420 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.696 -23.918 2.694 1.00 60.40 H new ATOM 0 HG23 ILE A 46 9.088 -23.523 4.319 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.688 -23.117 5.542 1.00 5.20 H new ATOM 0 HD12 ILE A 46 7.218 -23.992 5.297 1.00 5.20 H new ATOM 0 HD13 ILE A 46 7.215 -22.215 5.392 1.00 5.20 H new ATOM 698 N LYS A 47 9.568 -21.132 4.638 1.00 61.14 N ATOM 699 CA LYS A 47 9.854 -20.480 5.914 1.00 33.02 C ATOM 700 C LYS A 47 9.937 -18.969 5.742 1.00 44.41 C ATOM 701 O LYS A 47 9.318 -18.221 6.492 1.00 14.11 O ATOM 702 CB LYS A 47 11.171 -20.981 6.523 1.00 63.24 C ATOM 703 CG LYS A 47 11.081 -22.323 7.239 1.00 43.11 C ATOM 704 CD LYS A 47 12.387 -22.620 7.974 1.00 45.04 C ATOM 705 CE LYS A 47 12.295 -23.861 8.847 1.00 73.15 C ATOM 706 NZ LYS A 47 13.525 -24.054 9.660 1.00 75.33 N ATOM 0 H LYS A 47 10.266 -21.816 4.345 1.00 61.14 H new ATOM 0 HA LYS A 47 9.035 -20.731 6.588 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.914 -21.059 5.729 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.535 -20.234 7.228 1.00 63.24 H new ATOM 0 HG2 LYS A 47 10.252 -22.310 7.947 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.873 -23.114 6.519 1.00 43.11 H new ATOM 0 HD2 LYS A 47 13.188 -22.750 7.246 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.655 -21.764 8.593 1.00 45.04 H new ATOM 0 HE2 LYS A 47 11.432 -23.778 9.507 1.00 73.15 H new ATOM 0 HE3 LYS A 47 12.133 -24.737 8.219 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 13.425 -24.910 10.242 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 14.345 -24.158 9.029 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 13.666 -23.229 10.278 1.00 75.33 H new ATOM 720 N ALA A 48 10.712 -18.530 4.751 1.00 32.32 N ATOM 721 CA ALA A 48 10.910 -17.108 4.495 1.00 3.50 C ATOM 722 C ALA A 48 9.568 -16.402 4.337 1.00 23.32 C ATOM 723 O ALA A 48 9.381 -15.287 4.826 1.00 52.32 O ATOM 724 CB ALA A 48 11.786 -16.905 3.264 1.00 43.35 C ATOM 0 H ALA A 48 11.215 -19.144 4.110 1.00 32.32 H new ATOM 0 HA ALA A 48 11.423 -16.668 5.350 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.924 -15.838 3.087 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.756 -17.374 3.427 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.305 -17.357 2.397 1.00 43.35 H new ATOM 730 N ILE A 49 8.634 -17.073 3.666 1.00 73.51 N ATOM 731 CA ILE A 49 7.270 -16.564 3.536 1.00 11.34 C ATOM 732 C ILE A 49 6.639 -16.366 4.916 1.00 32.52 C ATOM 733 O ILE A 49 5.982 -15.356 5.178 1.00 25.45 O ATOM 734 CB ILE A 49 6.385 -17.519 2.690 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.975 -17.680 1.280 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.944 -17.011 2.614 1.00 22.32 C ATOM 737 CD1 ILE A 49 7.109 -16.371 0.528 1.00 74.30 C ATOM 0 H ILE A 49 8.796 -17.968 3.205 1.00 73.51 H new ATOM 0 HA ILE A 49 7.327 -15.604 3.023 1.00 11.34 H new ATOM 0 HB ILE A 49 6.371 -18.493 3.178 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.956 -18.148 1.357 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.343 -18.357 0.705 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.347 -17.699 2.016 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.527 -16.948 3.619 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.930 -16.023 2.153 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.532 -16.560 -0.459 1.00 74.30 H new ATOM 0 HD12 ILE A 49 6.127 -15.911 0.420 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.765 -15.699 1.081 1.00 74.30 H new ATOM 749 N ALA A 50 6.873 -17.322 5.807 1.00 21.02 N ATOM 750 CA ALA A 50 6.314 -17.272 7.154 1.00 1.35 C ATOM 751 C ALA A 50 6.898 -16.101 7.928 1.00 3.30 C ATOM 752 O ALA A 50 6.170 -15.312 8.526 1.00 40.12 O ATOM 753 CB ALA A 50 6.592 -18.573 7.893 1.00 61.30 C ATOM 0 H ALA A 50 7.448 -18.144 5.621 1.00 21.02 H new ATOM 0 HA ALA A 50 5.235 -17.137 7.073 1.00 1.35 H new ATOM 0 HB1 ALA A 50 6.169 -18.519 8.896 1.00 61.30 H new ATOM 0 HB2 ALA A 50 6.138 -19.403 7.352 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.669 -18.730 7.962 1.00 61.30 H new ATOM 759 N GLU A 51 8.220 -16.001 7.881 1.00 14.35 N ATOM 760 CA GLU A 51 8.970 -14.993 8.623 1.00 45.45 C ATOM 761 C GLU A 51 8.517 -13.584 8.240 1.00 61.23 C ATOM 762 O GLU A 51 8.337 -12.717 9.099 1.00 40.34 O ATOM 763 CB GLU A 51 10.466 -15.163 8.334 1.00 4.25 C ATOM 764 CG GLU A 51 10.966 -16.597 8.519 1.00 61.30 C ATOM 765 CD GLU A 51 11.069 -17.010 9.978 1.00 30.31 C ATOM 766 OE1 GLU A 51 10.065 -17.497 10.545 1.00 71.41 O ATOM 767 OE2 GLU A 51 12.159 -16.865 10.566 1.00 71.15 O ATOM 0 H GLU A 51 8.807 -16.621 7.323 1.00 14.35 H new ATOM 0 HA GLU A 51 8.784 -15.128 9.688 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.668 -14.846 7.311 1.00 4.25 H new ATOM 0 HB3 GLU A 51 11.032 -14.502 8.991 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.292 -17.280 8.001 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.945 -16.697 8.049 1.00 61.30 H new ATOM 774 N ASP A 52 8.320 -13.373 6.944 1.00 54.12 N ATOM 775 CA ASP A 52 7.926 -12.064 6.425 1.00 62.53 C ATOM 776 C ASP A 52 6.482 -11.748 6.817 1.00 5.34 C ATOM 777 O ASP A 52 6.190 -10.693 7.386 1.00 13.14 O ATOM 778 CB ASP A 52 8.073 -12.045 4.897 1.00 51.25 C ATOM 779 CG ASP A 52 8.002 -10.643 4.304 1.00 13.15 C ATOM 780 OD1 ASP A 52 6.883 -10.099 4.173 1.00 61.55 O ATOM 781 OD2 ASP A 52 9.070 -10.089 3.949 1.00 55.20 O ATOM 0 H ASP A 52 8.427 -14.093 6.229 1.00 54.12 H new ATOM 0 HA ASP A 52 8.577 -11.304 6.857 1.00 62.53 H new ATOM 0 HB2 ASP A 52 9.025 -12.500 4.624 1.00 51.25 H new ATOM 0 HB3 ASP A 52 7.288 -12.659 4.455 1.00 51.25 H new ATOM 786 N LEU A 53 5.585 -12.691 6.526 1.00 34.00 N ATOM 787 CA LEU A 53 4.153 -12.504 6.757 1.00 31.15 C ATOM 788 C LEU A 53 3.827 -12.352 8.239 1.00 63.44 C ATOM 789 O LEU A 53 3.000 -11.517 8.608 1.00 24.44 O ATOM 790 CB LEU A 53 3.351 -13.674 6.166 1.00 23.10 C ATOM 791 CG LEU A 53 3.347 -13.762 4.630 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.492 -14.937 4.162 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.847 -12.453 4.013 1.00 2.44 C ATOM 0 H LEU A 53 5.828 -13.598 6.127 1.00 34.00 H new ATOM 0 HA LEU A 53 3.868 -11.580 6.255 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.752 -14.606 6.565 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.320 -13.597 6.511 1.00 23.10 H new ATOM 0 HG LEU A 53 4.371 -13.927 4.295 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.501 -14.983 3.073 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.895 -15.865 4.568 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.468 -14.803 4.511 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.852 -12.538 2.926 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.832 -12.253 4.356 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.500 -11.635 4.317 1.00 2.44 H new ATOM 805 N GLU A 54 4.471 -13.145 9.086 1.00 42.35 N ATOM 806 CA GLU A 54 4.157 -13.140 10.513 1.00 71.35 C ATOM 807 C GLU A 54 4.607 -11.830 11.151 1.00 51.43 C ATOM 808 O GLU A 54 3.956 -11.315 12.063 1.00 2.04 O ATOM 809 CB GLU A 54 4.799 -14.343 11.222 1.00 71.34 C ATOM 810 CG GLU A 54 6.313 -14.238 11.408 1.00 45.42 C ATOM 811 CD GLU A 54 6.717 -14.096 12.871 1.00 2.40 C ATOM 812 OE1 GLU A 54 6.560 -12.989 13.437 1.00 25.13 O ATOM 813 OE2 GLU A 54 7.173 -15.092 13.469 1.00 1.20 O ATOM 0 H GLU A 54 5.208 -13.796 8.815 1.00 42.35 H new ATOM 0 HA GLU A 54 3.076 -13.225 10.626 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.333 -14.463 12.200 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.578 -15.245 10.651 1.00 71.34 H new ATOM 0 HG2 GLU A 54 6.789 -15.124 10.988 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.685 -13.380 10.848 1.00 45.42 H new ATOM 963 N ASP A 63 -1.067 -20.178 10.277 1.00 1.43 N ATOM 964 CA ASP A 63 0.364 -20.444 10.061 1.00 15.25 C ATOM 965 C ASP A 63 0.632 -21.429 8.916 1.00 43.10 C ATOM 966 O ASP A 63 0.006 -22.489 8.826 1.00 22.32 O ATOM 967 CB ASP A 63 1.002 -20.967 11.355 1.00 62.22 C ATOM 968 CG ASP A 63 2.489 -21.268 11.201 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.838 -22.401 10.814 1.00 71.15 O ATOM 970 OD2 ASP A 63 3.314 -20.373 11.468 1.00 31.43 O ATOM 0 HA ASP A 63 0.816 -19.495 9.773 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.865 -20.230 12.146 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.483 -21.872 11.670 1.00 62.22 H new ATOM 975 N ILE A 64 1.591 -21.055 8.075 1.00 35.01 N ATOM 976 CA ILE A 64 1.937 -21.782 6.853 1.00 74.34 C ATOM 977 C ILE A 64 2.680 -23.090 7.147 1.00 73.52 C ATOM 978 O ILE A 64 2.524 -24.077 6.425 1.00 13.12 O ATOM 979 CB ILE A 64 2.796 -20.863 5.941 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.267 -21.587 4.676 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.999 -20.317 6.706 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.653 -20.654 3.550 1.00 23.31 C ATOM 0 H ILE A 64 2.162 -20.223 8.224 1.00 35.01 H new ATOM 0 HA ILE A 64 1.012 -22.053 6.345 1.00 74.34 H new ATOM 0 HB ILE A 64 2.159 -20.034 5.633 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.122 -22.215 4.925 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.474 -22.250 4.331 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.587 -19.676 6.049 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.653 -19.739 7.563 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.616 -21.146 7.053 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.976 -21.238 2.688 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.794 -20.043 3.273 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.468 -20.008 3.876 1.00 23.31 H new ATOM 994 N GLY A 65 3.459 -23.101 8.220 1.00 24.22 N ATOM 995 CA GLY A 65 4.249 -24.275 8.556 1.00 1.30 C ATOM 996 C GLY A 65 3.388 -25.430 9.022 1.00 31.50 C ATOM 997 O GLY A 65 3.669 -26.589 8.709 1.00 64.12 O ATOM 0 H GLY A 65 3.560 -22.318 8.866 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.827 -24.583 7.685 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.964 -24.018 9.338 1.00 1.30 H new ATOM 1001 N VAL A 66 2.326 -25.107 9.760 1.00 52.41 N ATOM 1002 CA VAL A 66 1.424 -26.121 10.315 1.00 10.01 C ATOM 1003 C VAL A 66 0.857 -27.021 9.217 1.00 22.33 C ATOM 1004 O VAL A 66 0.751 -28.236 9.395 1.00 54.21 O ATOM 1005 CB VAL A 66 0.251 -25.474 11.099 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.699 -26.540 11.647 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.780 -24.595 12.231 1.00 25.14 C ATOM 0 H VAL A 66 2.067 -24.147 9.989 1.00 52.41 H new ATOM 0 HA VAL A 66 2.018 -26.724 11.002 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.310 -24.846 10.406 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.511 -26.058 12.192 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -1.110 -27.120 10.821 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.154 -27.202 12.320 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.058 -24.151 12.768 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.371 -25.202 12.917 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.405 -23.804 11.816 1.00 25.14 H new ATOM 1017 N LEU A 67 0.517 -26.427 8.075 1.00 55.10 N ATOM 1018 CA LEU A 67 -0.075 -27.180 6.970 1.00 53.21 C ATOM 1019 C LEU A 67 0.855 -28.298 6.504 1.00 52.34 C ATOM 1020 O LEU A 67 0.400 -29.402 6.192 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.421 -26.262 5.788 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.654 -25.361 5.972 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.783 -26.109 6.678 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.284 -24.077 6.708 1.00 50.24 C ATOM 0 H LEU A 67 0.640 -25.431 7.890 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.997 -27.625 7.343 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.441 -25.627 5.582 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.578 -26.882 4.906 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.019 -25.081 4.984 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.641 -25.447 6.794 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.072 -26.976 6.084 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.443 -26.438 7.660 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.172 -23.456 6.826 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.881 -24.324 7.690 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.534 -23.532 6.134 1.00 50.24 H new ATOM 1036 N ILE A 68 2.155 -28.021 6.483 1.00 31.54 N ATOM 1037 CA ILE A 68 3.145 -29.012 6.063 1.00 2.51 C ATOM 1038 C ILE A 68 3.100 -30.224 6.991 1.00 51.44 C ATOM 1039 O ILE A 68 3.274 -31.368 6.558 1.00 60.32 O ATOM 1040 CB ILE A 68 4.579 -28.421 6.049 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.626 -27.155 5.183 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.586 -29.453 5.538 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.000 -26.520 5.103 1.00 31.33 C ATOM 0 H ILE A 68 2.549 -27.119 6.751 1.00 31.54 H new ATOM 0 HA ILE A 68 2.895 -29.316 5.047 1.00 2.51 H new ATOM 0 HB ILE A 68 4.850 -28.156 7.071 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.291 -27.402 4.176 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.922 -26.426 5.583 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.585 -29.017 5.537 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.573 -30.327 6.189 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.319 -29.751 4.524 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.954 -25.631 4.474 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.330 -26.240 6.103 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.705 -27.232 4.674 1.00 31.33 H new ATOM 1055 N THR A 69 2.833 -29.963 8.268 1.00 24.31 N ATOM 1056 CA THR A 69 2.763 -31.013 9.271 1.00 33.41 C ATOM 1057 C THR A 69 1.550 -31.907 9.006 1.00 42.44 C ATOM 1058 O THR A 69 1.562 -33.105 9.299 1.00 21.42 O ATOM 1059 CB THR A 69 2.668 -30.404 10.688 1.00 21.35 C ATOM 1060 OG1 THR A 69 3.703 -29.424 10.863 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.796 -31.480 11.765 1.00 64.12 C ATOM 0 H THR A 69 2.661 -29.025 8.631 1.00 24.31 H new ATOM 0 HA THR A 69 3.671 -31.612 9.210 1.00 33.41 H new ATOM 0 HB THR A 69 1.690 -29.934 10.790 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.640 -29.038 11.762 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.725 -31.019 12.750 1.00 64.12 H new ATOM 0 HG22 THR A 69 1.995 -32.210 11.647 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.760 -31.980 11.667 1.00 64.12 H new ATOM 1069 N GLN A 70 0.510 -31.310 8.430 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.699 -32.044 8.081 1.00 71.34 C ATOM 1071 C GLN A 70 -0.451 -32.859 6.812 1.00 10.03 C ATOM 1072 O GLN A 70 -0.746 -34.049 6.761 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.873 -31.075 7.871 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.939 -29.965 8.911 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.231 -29.164 8.867 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.245 -27.971 9.174 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -4.329 -29.813 8.504 1.00 21.40 N ATOM 0 H GLN A 70 0.482 -30.318 8.195 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.955 -32.719 8.898 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.792 -30.629 6.880 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.806 -31.638 7.892 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.826 -30.401 9.903 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.097 -29.289 8.762 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -4.279 -30.801 8.256 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -5.224 -29.324 8.472 1.00 21.40 H new ATOM 1086 N MET A 71 0.126 -32.201 5.808 1.00 14.01 N ATOM 1087 CA MET A 71 0.414 -32.817 4.510 1.00 13.13 C ATOM 1088 C MET A 71 1.355 -34.011 4.652 1.00 21.22 C ATOM 1089 O MET A 71 1.190 -35.030 3.977 1.00 40.43 O ATOM 1090 CB MET A 71 1.046 -31.780 3.580 1.00 61.13 C ATOM 1091 CG MET A 71 0.093 -30.689 3.116 1.00 14.31 C ATOM 1092 SD MET A 71 0.928 -29.102 2.931 1.00 65.25 S ATOM 1093 CE MET A 71 2.436 -29.607 2.101 1.00 3.01 C ATOM 0 H MET A 71 0.408 -31.223 5.870 1.00 14.01 H new ATOM 0 HA MET A 71 -0.527 -33.174 4.091 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.889 -31.316 4.092 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.447 -32.291 2.705 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.354 -30.977 2.164 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.722 -30.589 3.833 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.847 -28.763 1.548 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.162 -29.945 2.840 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.216 -30.421 1.410 1.00 3.01 H new ATOM 1103 N THR A 72 2.348 -33.872 5.530 1.00 74.35 N ATOM 1104 CA THR A 72 3.356 -34.912 5.722 1.00 54.12 C ATOM 1105 C THR A 72 2.711 -36.197 6.241 1.00 21.40 C ATOM 1106 O THR A 72 3.249 -37.292 6.070 1.00 10.21 O ATOM 1107 CB THR A 72 4.472 -34.451 6.704 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.675 -35.199 6.473 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.055 -34.620 8.165 1.00 32.34 C ATOM 0 H THR A 72 2.475 -33.049 6.119 1.00 74.35 H new ATOM 0 HA THR A 72 3.813 -35.106 4.751 1.00 54.12 H new ATOM 0 HB THR A 72 4.645 -33.391 6.517 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.371 -34.900 7.095 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.864 -34.286 8.815 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.163 -34.024 8.360 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.840 -35.670 8.363 1.00 32.34 H new ATOM 1117 N ASP A 73 1.546 -36.045 6.863 1.00 14.31 N ATOM 1118 CA ASP A 73 0.817 -37.174 7.426 1.00 73.20 C ATOM 1119 C ASP A 73 -0.226 -37.674 6.438 1.00 63.12 C ATOM 1120 O ASP A 73 -0.319 -38.873 6.158 1.00 62.50 O ATOM 1121 CB ASP A 73 0.140 -36.743 8.731 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.534 -37.902 9.448 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.170 -38.653 10.150 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.767 -38.065 9.315 1.00 73.12 O ATOM 0 H ASP A 73 1.085 -35.144 6.990 1.00 14.31 H new ATOM 0 HA ASP A 73 1.516 -37.985 7.631 1.00 73.20 H new ATOM 0 HB2 ASP A 73 0.883 -36.294 9.391 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.601 -35.973 8.515 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.016 -36.744 5.921 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.028 -37.045 4.924 1.00 13.52 C ATOM 1131 C GLU A 74 -2.210 -35.849 3.994 1.00 52.34 C ATOM 1132 O GLU A 74 -2.548 -34.752 4.446 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.359 -37.386 5.602 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.495 -37.657 4.625 1.00 22.12 C ATOM 1135 CD GLU A 74 -5.825 -37.847 5.330 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.425 -36.839 5.752 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.263 -39.008 5.494 1.00 64.11 O ATOM 0 H GLU A 74 -0.972 -35.759 6.183 1.00 53.04 H new ATOM 0 HA GLU A 74 -1.702 -37.907 4.341 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.220 -38.263 6.235 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.644 -36.562 6.257 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.573 -36.827 3.923 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.265 -38.548 4.041 1.00 22.12 H new ATOM 1144 N MET A 75 -1.972 -36.053 2.703 1.00 3.01 N ATOM 1145 CA MET A 75 -2.211 -35.007 1.714 1.00 44.15 C ATOM 1146 C MET A 75 -3.720 -34.859 1.495 1.00 2.42 C ATOM 1147 O MET A 75 -4.468 -35.827 1.641 1.00 23.31 O ATOM 1148 CB MET A 75 -1.498 -35.327 0.391 1.00 64.55 C ATOM 1149 CG MET A 75 -2.080 -36.516 -0.355 1.00 34.12 C ATOM 1150 SD MET A 75 -1.103 -36.979 -1.803 1.00 53.33 S ATOM 1151 CE MET A 75 -1.265 -35.509 -2.818 1.00 73.05 C ATOM 0 H MET A 75 -1.616 -36.928 2.318 1.00 3.01 H new ATOM 0 HA MET A 75 -1.805 -34.066 2.085 1.00 44.15 H new ATOM 0 HB2 MET A 75 -1.542 -34.450 -0.254 1.00 64.55 H new ATOM 0 HB3 MET A 75 -0.445 -35.520 0.596 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.144 -37.368 0.322 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.097 -36.280 -0.669 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.934 -35.729 -3.833 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.308 -35.193 -2.837 1.00 73.05 H new ATOM 0 HE3 MET A 75 -0.652 -34.710 -2.402 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.183 -33.646 1.154 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.619 -33.351 1.027 1.00 54.22 C ATOM 1163 C PRO A 76 -6.264 -34.053 -0.181 1.00 61.51 C ATOM 1164 O PRO A 76 -6.629 -35.226 -0.101 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.632 -31.819 0.890 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.330 -31.513 0.236 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.351 -32.462 0.865 1.00 32.14 C ATOM 0 HA PRO A 76 -6.206 -33.714 1.870 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.473 -31.478 0.287 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.717 -31.331 1.861 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.385 -31.660 -0.843 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.038 -30.476 0.402 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.529 -32.700 0.191 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.910 -32.047 1.771 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.391 -33.339 -1.301 1.00 42.15 N ATOM 1176 CA ARG A 77 -6.969 -33.891 -2.521 1.00 24.23 C ATOM 1177 C ARG A 77 -6.321 -33.237 -3.728 1.00 64.03 C ATOM 1178 O ARG A 77 -5.895 -32.089 -3.649 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.474 -33.612 -2.591 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.321 -34.270 -1.509 1.00 65.13 C ATOM 1181 CD ARG A 77 -10.792 -33.947 -1.719 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.611 -34.251 -0.542 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.191 -33.317 0.222 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -11.941 -32.027 0.018 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -13.003 -33.667 1.212 1.00 24.22 N ATOM 0 H ARG A 77 -6.096 -32.366 -1.385 1.00 42.15 H new ATOM 0 HA ARG A 77 -6.796 -34.967 -2.516 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -8.627 -32.534 -2.541 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -8.841 -33.941 -3.563 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.173 -35.350 -1.528 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.002 -33.922 -0.527 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -10.896 -32.891 -1.966 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.166 -34.512 -2.573 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.747 -35.230 -0.291 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -11.303 -31.742 -0.725 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -12.387 -31.322 0.605 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.189 -34.653 1.395 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.441 -32.950 1.790 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.266 -33.957 -4.839 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.809 -33.379 -6.101 1.00 10.22 C ATOM 1201 C GLU A 78 -6.817 -32.338 -6.576 1.00 23.31 C ATOM 1202 O GLU A 78 -6.446 -31.272 -7.067 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.630 -34.464 -7.169 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.565 -35.496 -6.819 1.00 21.42 C ATOM 1205 CD GLU A 78 -4.290 -36.454 -7.963 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -3.402 -36.155 -8.793 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -4.954 -37.507 -8.043 1.00 24.35 O ATOM 0 H GLU A 78 -6.531 -34.940 -4.896 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.842 -32.904 -5.938 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.582 -34.973 -7.320 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.368 -33.991 -8.115 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.642 -34.984 -6.548 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -4.885 -36.062 -5.944 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.096 -32.664 -6.406 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.189 -31.747 -6.723 1.00 62.11 C ATOM 1216 C GLU A 79 -9.048 -30.468 -5.901 1.00 42.33 C ATOM 1217 O GLU A 79 -9.251 -29.363 -6.402 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.534 -32.419 -6.420 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.753 -31.555 -6.730 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.058 -32.237 -6.356 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.419 -33.239 -7.011 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -13.730 -31.781 -5.406 1.00 35.41 O ATOM 0 H GLU A 79 -8.404 -33.567 -6.046 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.148 -31.494 -7.782 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.603 -33.343 -6.995 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.559 -32.697 -5.366 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.672 -30.611 -6.191 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.764 -31.315 -7.793 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.682 -30.645 -4.634 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.477 -29.530 -3.714 1.00 23.21 C ATOM 1231 C ASP A 80 -7.282 -28.696 -4.160 1.00 50.24 C ATOM 1232 O ASP A 80 -7.350 -27.465 -4.213 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.257 -30.051 -2.281 1.00 4.30 C ATOM 1234 CG ASP A 80 -9.533 -30.511 -1.584 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.584 -30.648 -2.251 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -9.482 -30.767 -0.363 1.00 34.04 O ATOM 0 H ASP A 80 -8.520 -31.562 -4.218 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.368 -28.902 -3.722 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -7.553 -30.882 -2.312 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -7.794 -29.263 -1.686 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.190 -29.378 -4.496 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.971 -28.716 -4.957 1.00 75.11 C ATOM 1243 C ILE A 81 -5.240 -27.933 -6.240 1.00 23.01 C ATOM 1244 O ILE A 81 -4.738 -26.823 -6.416 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.826 -29.738 -5.191 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.453 -30.426 -3.867 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.603 -29.065 -5.815 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.439 -31.546 -4.016 1.00 11.21 C ATOM 0 H ILE A 81 -6.124 -30.395 -4.457 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.656 -28.024 -4.176 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.180 -30.494 -5.892 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.055 -29.678 -3.181 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.358 -30.828 -3.411 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.818 -29.806 -5.967 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.879 -28.627 -6.774 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.239 -28.282 -5.149 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.229 -31.979 -3.038 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -2.841 -32.315 -4.675 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.518 -31.148 -4.442 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.046 -28.513 -7.123 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.437 -27.864 -8.353 1.00 13.24 C ATOM 1262 C GLU A 82 -7.280 -26.627 -8.046 1.00 5.44 C ATOM 1263 O GLU A 82 -6.988 -25.523 -8.512 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.221 -28.862 -9.207 1.00 73.20 C ATOM 1265 CG GLU A 82 -7.899 -28.252 -10.415 1.00 75.31 C ATOM 1266 CD GLU A 82 -6.924 -27.738 -11.466 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -6.530 -26.558 -11.405 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -6.556 -28.512 -12.374 1.00 14.40 O ATOM 0 H GLU A 82 -6.442 -29.445 -6.999 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.554 -27.539 -8.903 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.542 -29.646 -9.543 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -7.977 -29.340 -8.584 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.551 -28.997 -10.870 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.535 -27.429 -10.088 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.298 -26.830 -7.213 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.232 -25.778 -6.823 1.00 64.02 C ATOM 1277 C ARG A 83 -8.484 -24.563 -6.267 1.00 23.45 C ATOM 1278 O ARG A 83 -8.761 -23.422 -6.649 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.250 -26.360 -5.803 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.365 -25.624 -4.464 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.199 -24.349 -4.558 1.00 70.23 C ATOM 1282 NE ARG A 83 -11.364 -23.722 -3.250 1.00 52.13 N ATOM 1283 CZ ARG A 83 -12.471 -23.099 -2.847 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.512 -22.983 -3.663 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -12.528 -22.595 -1.622 1.00 32.14 N ATOM 0 H ARG A 83 -8.499 -27.735 -6.787 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.782 -25.428 -7.697 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -11.234 -26.374 -6.272 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.978 -27.396 -5.602 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.811 -26.290 -3.726 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -9.367 -25.374 -4.106 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -10.719 -23.648 -5.241 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.178 -24.583 -4.977 1.00 70.23 H new ATOM 0 HE ARG A 83 -10.579 -23.764 -2.600 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -13.468 -23.372 -4.605 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -14.356 -22.505 -3.348 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -11.728 -22.686 -0.996 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -13.372 -22.117 -1.306 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.528 -24.806 -5.377 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.789 -23.719 -4.750 1.00 41.51 C ATOM 1301 C VAL A 84 -5.800 -23.077 -5.734 1.00 42.42 C ATOM 1302 O VAL A 84 -5.788 -21.857 -5.896 1.00 71.31 O ATOM 1303 CB VAL A 84 -6.062 -24.187 -3.458 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.935 -25.168 -3.765 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.546 -22.989 -2.663 1.00 65.02 C ATOM 0 H VAL A 84 -7.249 -25.740 -5.076 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.517 -22.961 -4.461 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.791 -24.717 -2.845 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.453 -25.470 -2.836 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.343 -26.047 -4.265 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.203 -24.689 -4.415 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -5.041 -23.340 -1.763 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.845 -22.421 -3.275 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.384 -22.350 -2.383 1.00 65.02 H new ATOM 1315 N ARG A 85 -5.001 -23.899 -6.418 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.955 -23.397 -7.311 1.00 63.21 C ATOM 1317 C ARG A 85 -4.534 -22.507 -8.410 1.00 31.04 C ATOM 1318 O ARG A 85 -3.947 -21.482 -8.753 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.145 -24.552 -7.925 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.877 -25.370 -8.988 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.021 -26.532 -9.480 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.738 -27.389 -10.432 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.427 -28.672 -10.668 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -2.451 -29.266 -9.996 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -4.112 -29.367 -11.565 1.00 44.23 N ATOM 0 H ARG A 85 -5.059 -24.916 -6.370 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.281 -22.789 -6.707 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.237 -24.142 -8.367 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.835 -25.223 -7.124 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.811 -25.752 -8.576 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.139 -24.727 -9.828 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.120 -26.142 -9.953 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.699 -27.130 -8.627 1.00 12.03 H new ATOM 0 HE ARG A 85 -4.521 -26.984 -10.945 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.928 -28.747 -9.291 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -2.223 -30.242 -10.184 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.876 -28.926 -12.076 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.875 -30.343 -11.744 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.689 -22.891 -8.944 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.339 -22.092 -9.990 1.00 61.13 C ATOM 1341 C ARG A 86 -6.876 -20.792 -9.397 1.00 43.24 C ATOM 1342 O ARG A 86 -6.832 -19.740 -10.035 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.462 -22.875 -10.694 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.596 -23.322 -9.779 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.708 -24.018 -10.556 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.197 -25.106 -11.399 1.00 1.42 N ATOM 1347 CZ ARG A 86 -9.969 -25.892 -12.154 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.290 -25.818 -12.067 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -9.411 -26.779 -12.966 1.00 54.51 N ATOM 0 H ARG A 86 -6.192 -23.737 -8.678 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.590 -21.856 -10.745 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.877 -22.254 -11.488 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.030 -23.755 -11.171 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.205 -23.998 -9.019 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.004 -22.457 -9.256 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -10.443 -24.417 -9.857 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.224 -23.289 -11.180 1.00 34.11 H new ATOM 0 HE ARG A 86 -8.191 -25.272 -11.409 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -11.722 -25.158 -11.421 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.874 -26.421 -12.646 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -8.395 -26.860 -13.013 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -9.997 -27.381 -13.544 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.359 -20.867 -8.157 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.812 -19.684 -7.429 1.00 5.31 C ATOM 1365 C HIS A 87 -6.645 -18.717 -7.239 1.00 35.45 C ATOM 1366 O HIS A 87 -6.808 -17.503 -7.327 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.403 -20.090 -6.069 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.821 -18.928 -5.206 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.085 -18.380 -5.231 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.126 -18.212 -4.283 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.151 -17.383 -4.368 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -8.976 -17.260 -3.779 1.00 10.01 N ATOM 0 H HIS A 87 -7.446 -21.739 -7.635 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.591 -19.186 -8.006 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.267 -20.732 -6.238 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.666 -20.684 -5.528 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.095 -18.364 -3.999 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.020 -16.771 -4.176 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -8.739 -16.570 -3.066 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.469 -19.278 -6.982 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.241 -18.501 -6.803 1.00 61.31 C ATOM 1383 C LEU A 88 -3.724 -17.986 -8.146 1.00 10.22 C ATOM 1384 O LEU A 88 -3.177 -16.879 -8.235 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.171 -19.360 -6.104 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.286 -19.457 -4.565 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.748 -18.193 -3.899 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.729 -19.693 -4.122 1.00 1.22 C ATOM 0 H LEU A 88 -5.336 -20.285 -6.891 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.464 -17.638 -6.175 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.214 -20.368 -6.517 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.189 -18.956 -6.351 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.685 -20.311 -4.253 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.840 -18.285 -2.817 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.699 -18.060 -4.164 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.321 -17.330 -4.240 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.770 -19.756 -3.035 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.354 -18.867 -4.462 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.094 -20.625 -4.553 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.926 -18.788 -9.190 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.481 -18.446 -10.540 1.00 61.34 C ATOM 1402 C ALA A 89 -4.183 -17.186 -11.049 1.00 73.12 C ATOM 1403 O ALA A 89 -3.744 -16.565 -12.017 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.727 -19.616 -11.490 1.00 24.15 C ATOM 0 H ALA A 89 -4.400 -19.689 -9.125 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.411 -18.242 -10.504 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.391 -19.348 -12.492 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.174 -20.489 -11.143 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.792 -19.847 -11.514 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.292 -16.830 -10.401 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.007 -15.596 -10.712 1.00 63.34 C ATOM 1412 C LEU A 90 -5.148 -14.384 -10.357 1.00 72.14 C ATOM 1413 O LEU A 90 -5.056 -13.426 -11.127 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.340 -15.547 -9.955 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.332 -16.673 -10.294 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.602 -16.550 -9.455 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.669 -16.674 -11.787 1.00 12.44 C ATOM 0 H LEU A 90 -5.715 -17.382 -9.655 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.216 -15.573 -11.782 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.133 -15.578 -8.885 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.819 -14.590 -10.159 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.856 -17.623 -10.053 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.288 -17.357 -9.713 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.347 -16.614 -8.397 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.079 -15.591 -9.655 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.372 -17.479 -12.001 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.118 -15.719 -12.059 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.758 -16.825 -12.366 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.514 -14.435 -9.188 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.590 -13.384 -8.774 1.00 44.25 C ATOM 1431 C GLN A 91 -2.302 -13.495 -9.580 1.00 0.14 C ATOM 1432 O GLN A 91 -1.726 -12.488 -9.993 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.276 -13.462 -7.268 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.464 -13.134 -6.359 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.571 -14.174 -6.406 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.749 -13.854 -6.259 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.204 -15.435 -6.573 1.00 3.21 N ATOM 0 H GLN A 91 -4.623 -15.191 -8.512 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.065 -12.421 -8.962 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.921 -14.466 -7.034 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.460 -12.775 -7.043 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.110 -13.039 -5.333 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.874 -12.166 -6.646 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.218 -15.668 -6.692 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -5.907 -16.174 -6.582 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.876 -14.731 -9.824 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.680 -14.969 -10.610 1.00 34.23 C ATOM 1448 C GLY A 92 -0.076 -16.329 -10.339 1.00 75.14 C ATOM 1449 O GLY A 92 -0.629 -17.116 -9.570 1.00 41.34 O ATOM 0 H GLY A 92 -2.341 -15.575 -9.489 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.922 -14.886 -11.670 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.057 -14.196 -10.390 1.00 34.23 H new ATOM 1453 N TRP A 93 1.062 -16.605 -10.963 1.00 61.24 N ATOM 1454 CA TRP A 93 1.744 -17.881 -10.787 1.00 33.44 C ATOM 1455 C TRP A 93 3.258 -17.672 -10.812 1.00 44.25 C ATOM 1456 O TRP A 93 3.917 -17.925 -11.825 1.00 71.23 O ATOM 1457 CB TRP A 93 1.307 -18.868 -11.878 1.00 43.23 C ATOM 1458 CG TRP A 93 1.757 -20.280 -11.633 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.866 -20.896 -12.140 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.094 -21.252 -10.821 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.930 -22.191 -11.694 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.852 -22.434 -10.882 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.070 -21.233 -10.049 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.484 -23.589 -10.198 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.436 -22.378 -9.373 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.338 -23.542 -9.450 1.00 55.20 C ATOM 0 H TRP A 93 1.533 -15.960 -11.597 1.00 61.24 H new ATOM 0 HA TRP A 93 1.473 -18.302 -9.819 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.220 -18.851 -11.956 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.701 -18.532 -12.837 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.587 -20.431 -12.796 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.660 -22.864 -11.928 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.672 -20.339 -9.983 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 2.080 -24.488 -10.255 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.335 -22.377 -8.774 1.00 15.35 H new ATOM 0 HH2 TRP A 93 0.024 -24.422 -8.908 1.00 55.20 H new ATOM 1477 N PRO A 94 3.825 -17.159 -9.706 1.00 44.24 N ATOM 1478 CA PRO A 94 5.269 -16.912 -9.598 1.00 44.31 C ATOM 1479 C PRO A 94 6.069 -18.213 -9.475 1.00 13.14 C ATOM 1480 O PRO A 94 7.248 -18.262 -9.809 1.00 65.31 O ATOM 1481 CB PRO A 94 5.408 -16.065 -8.314 1.00 70.01 C ATOM 1482 CG PRO A 94 4.011 -15.696 -7.910 1.00 24.04 C ATOM 1483 CD PRO A 94 3.108 -16.752 -8.485 1.00 52.13 C ATOM 0 HA PRO A 94 5.662 -16.416 -10.485 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.906 -16.630 -7.526 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.010 -15.175 -8.497 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.919 -15.656 -6.825 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.745 -14.709 -8.289 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.972 -17.587 -7.798 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.116 -16.359 -8.709 1.00 52.13 H new ATOM 1491 N LEU A 95 5.392 -19.263 -9.018 1.00 20.13 N ATOM 1492 CA LEU A 95 6.023 -20.550 -8.703 1.00 2.45 C ATOM 1493 C LEU A 95 6.822 -21.137 -9.872 1.00 23.05 C ATOM 1494 O LEU A 95 7.692 -21.982 -9.657 1.00 42.11 O ATOM 1495 CB LEU A 95 4.950 -21.558 -8.249 1.00 12.24 C ATOM 1496 CG LEU A 95 4.781 -21.709 -6.726 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.452 -20.374 -6.063 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.714 -22.751 -6.405 1.00 44.11 C ATOM 0 H LEU A 95 4.385 -19.249 -8.854 1.00 20.13 H new ATOM 0 HA LEU A 95 6.735 -20.361 -7.900 1.00 2.45 H new ATOM 0 HB2 LEU A 95 3.992 -21.258 -8.675 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.194 -22.534 -8.668 1.00 12.24 H new ATOM 0 HG LEU A 95 5.733 -22.051 -6.319 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.340 -20.519 -4.989 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.259 -19.666 -6.251 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.522 -19.982 -6.475 1.00 71.12 H new ATOM 0 HD21 LEU A 95 3.609 -22.843 -5.324 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.762 -22.442 -6.837 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.007 -23.713 -6.825 1.00 44.11 H new