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 -80:sc= 0.76 USER MOD Set 1.2: A 71 MET CE :methyl 147:sc= -0.392 (180deg=-3.37!) USER MOD Single : A 7 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.47) USER MOD Single : A 21 TYR OH : rot 110:sc= -0.0439 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 43 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.7!) 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= -1.75 K(o=-1.7,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 151:sc= -0.0922 (180deg=-1.04) USER MOD Single : A 87 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-0.0047) USER MOD Single : A 91 GLN : amide:sc= -3.56! K(o=-3.6!,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 59 N VAL A 6 12.187 -9.401 2.033 1.00 42.23 N ATOM 60 CA VAL A 6 12.677 -10.723 1.675 1.00 64.21 C ATOM 61 C VAL A 6 13.233 -10.688 0.264 1.00 41.01 C ATOM 62 O VAL A 6 13.212 -9.650 -0.403 1.00 75.33 O ATOM 63 CB VAL A 6 11.554 -11.799 1.732 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.327 -12.322 3.151 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.253 -11.255 1.144 1.00 11.52 C ATOM 0 HA VAL A 6 13.448 -10.991 2.397 1.00 64.21 H new ATOM 0 HB VAL A 6 11.887 -12.642 1.127 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.535 -13.070 3.141 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.247 -12.773 3.524 1.00 60.22 H new ATOM 0 HG13 VAL A 6 11.038 -11.496 3.801 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.482 -12.024 1.194 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.933 -10.382 1.714 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.415 -10.970 0.104 1.00 11.52 H new ATOM 75 N ASN A 7 13.736 -11.826 -0.173 1.00 53.22 N ATOM 76 CA ASN A 7 14.137 -12.010 -1.556 1.00 71.21 C ATOM 77 C ASN A 7 12.952 -11.714 -2.480 1.00 44.52 C ATOM 78 O ASN A 7 11.810 -12.057 -2.158 1.00 33.22 O ATOM 79 CB ASN A 7 14.631 -13.447 -1.748 1.00 54.12 C ATOM 80 CG ASN A 7 16.099 -13.634 -1.394 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.901 -12.704 -1.486 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.462 -14.846 -1.000 1.00 52.12 N ATOM 0 H ASN A 7 13.878 -12.646 0.417 1.00 53.22 H new ATOM 0 HA ASN A 7 14.946 -11.323 -1.805 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.029 -14.116 -1.133 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.475 -13.741 -2.786 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.435 -15.034 -0.760 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.768 -15.591 -0.936 1.00 52.12 H new ATOM 89 N ALA A 8 13.233 -11.083 -3.619 1.00 60.32 N ATOM 90 CA ALA A 8 12.198 -10.622 -4.555 1.00 3.34 C ATOM 91 C ALA A 8 11.143 -11.693 -4.823 1.00 60.24 C ATOM 92 O ALA A 8 9.946 -11.410 -4.844 1.00 14.22 O ATOM 93 CB ALA A 8 12.839 -10.181 -5.867 1.00 31.02 C ATOM 0 H ALA A 8 14.184 -10.875 -3.923 1.00 60.32 H new ATOM 0 HA ALA A 8 11.692 -9.776 -4.090 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.064 -9.841 -6.554 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.537 -9.366 -5.675 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.375 -11.020 -6.310 1.00 31.02 H new ATOM 99 N PHE A 9 11.599 -12.927 -5.016 1.00 32.01 N ATOM 100 CA PHE A 9 10.701 -14.047 -5.282 1.00 51.44 C ATOM 101 C PHE A 9 9.714 -14.225 -4.131 1.00 64.40 C ATOM 102 O PHE A 9 8.508 -14.329 -4.346 1.00 61.22 O ATOM 103 CB PHE A 9 11.506 -15.335 -5.500 1.00 13.33 C ATOM 104 CG PHE A 9 10.650 -16.547 -5.784 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.114 -16.752 -7.048 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.387 -17.482 -4.794 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.336 -17.862 -7.313 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.609 -18.593 -5.056 1.00 44.20 C ATOM 109 CZ PHE A 9 9.085 -18.784 -6.318 1.00 62.30 C ATOM 0 H PHE A 9 12.588 -13.177 -4.993 1.00 32.01 H new ATOM 0 HA PHE A 9 10.137 -13.831 -6.190 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.195 -15.186 -6.331 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.111 -15.529 -4.615 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.307 -16.036 -7.833 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.796 -17.340 -3.805 1.00 60.44 H new ATOM 0 HE1 PHE A 9 8.924 -18.008 -8.300 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.411 -19.311 -4.274 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.479 -19.654 -6.526 1.00 62.30 H new ATOM 119 N LEU A 10 10.240 -14.226 -2.912 1.00 11.31 N ATOM 120 CA LEU A 10 9.432 -14.453 -1.720 1.00 65.43 C ATOM 121 C LEU A 10 8.435 -13.313 -1.516 1.00 12.34 C ATOM 122 O LEU A 10 7.306 -13.534 -1.076 1.00 22.41 O ATOM 123 CB LEU A 10 10.331 -14.616 -0.483 1.00 53.03 C ATOM 124 CG LEU A 10 11.112 -15.943 -0.395 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.152 -17.127 -0.357 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.097 -16.095 -1.553 1.00 5.43 C ATOM 0 H LEU A 10 11.230 -14.071 -2.723 1.00 11.31 H new ATOM 0 HA LEU A 10 8.868 -15.375 -1.859 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.046 -13.793 -0.465 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.712 -14.520 0.409 1.00 53.03 H new ATOM 0 HG LEU A 10 11.688 -15.925 0.531 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.721 -18.055 -0.295 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.502 -17.041 0.514 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.546 -17.133 -1.263 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.629 -17.042 -1.457 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.553 -16.079 -2.498 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.813 -15.273 -1.532 1.00 5.43 H new ATOM 138 N ALA A 11 8.859 -12.095 -1.847 1.00 51.23 N ATOM 139 CA ALA A 11 7.984 -10.929 -1.763 1.00 43.20 C ATOM 140 C ALA A 11 6.805 -11.091 -2.722 1.00 60.02 C ATOM 141 O ALA A 11 5.653 -10.798 -2.379 1.00 21.33 O ATOM 142 CB ALA A 11 8.765 -9.654 -2.072 1.00 15.33 C ATOM 0 H ALA A 11 9.803 -11.891 -2.176 1.00 51.23 H new ATOM 0 HA ALA A 11 7.596 -10.850 -0.748 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.099 -8.794 -2.005 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.576 -9.541 -1.353 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.178 -9.715 -3.079 1.00 15.33 H new ATOM 148 N LYS A 12 7.109 -11.575 -3.924 1.00 75.22 N ATOM 149 CA LYS A 12 6.092 -11.829 -4.935 1.00 3.03 C ATOM 150 C LYS A 12 5.152 -12.946 -4.482 1.00 75.15 C ATOM 151 O LYS A 12 3.949 -12.874 -4.716 1.00 72.25 O ATOM 152 CB LYS A 12 6.751 -12.180 -6.281 1.00 62.31 C ATOM 153 CG LYS A 12 5.772 -12.614 -7.373 1.00 64.45 C ATOM 154 CD LYS A 12 4.715 -11.549 -7.685 1.00 25.11 C ATOM 155 CE LYS A 12 5.321 -10.276 -8.268 1.00 55.23 C ATOM 156 NZ LYS A 12 4.276 -9.313 -8.706 1.00 30.21 N ATOM 0 H LYS A 12 8.059 -11.800 -4.220 1.00 75.22 H new ATOM 0 HA LYS A 12 5.501 -10.923 -5.069 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.309 -11.313 -6.635 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.473 -12.980 -6.120 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.328 -12.844 -8.282 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.274 -13.533 -7.063 1.00 64.45 H new ATOM 0 HD2 LYS A 12 3.990 -11.957 -8.389 1.00 25.11 H new ATOM 0 HD3 LYS A 12 4.171 -11.304 -6.773 1.00 25.11 H new ATOM 0 HE2 LYS A 12 5.960 -9.804 -7.522 1.00 55.23 H new ATOM 0 HE3 LYS A 12 5.957 -10.532 -9.116 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 4.729 -8.462 -9.096 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 3.682 -9.754 -9.437 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 3.685 -9.048 -7.892 1.00 30.21 H new ATOM 170 N ILE A 13 5.700 -13.969 -3.825 1.00 44.14 N ATOM 171 CA ILE A 13 4.886 -15.068 -3.306 1.00 31.13 C ATOM 172 C ILE A 13 3.911 -14.557 -2.245 1.00 54.15 C ATOM 173 O ILE A 13 2.710 -14.824 -2.312 1.00 11.24 O ATOM 174 CB ILE A 13 5.759 -16.197 -2.697 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.697 -16.794 -3.756 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.880 -17.292 -2.084 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.984 -17.469 -4.909 1.00 1.42 C ATOM 0 H ILE A 13 6.699 -14.059 -3.640 1.00 44.14 H new ATOM 0 HA ILE A 13 4.331 -15.480 -4.149 1.00 31.13 H new ATOM 0 HB ILE A 13 6.369 -15.761 -1.906 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.332 -16.001 -4.151 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.354 -17.519 -3.276 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.513 -18.073 -1.663 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.261 -16.863 -1.296 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.240 -17.720 -2.856 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.719 -17.863 -5.611 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.371 -18.286 -4.529 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.348 -16.744 -5.418 1.00 1.42 H new ATOM 189 N ALA A 14 4.439 -13.815 -1.273 1.00 10.43 N ATOM 190 CA ALA A 14 3.626 -13.235 -0.206 1.00 65.03 C ATOM 191 C ALA A 14 2.498 -12.380 -0.786 1.00 45.24 C ATOM 192 O ALA A 14 1.338 -12.524 -0.400 1.00 22.51 O ATOM 193 CB ALA A 14 4.499 -12.405 0.731 1.00 21.21 C ATOM 0 H ALA A 14 5.434 -13.600 -1.203 1.00 10.43 H new ATOM 0 HA ALA A 14 3.176 -14.048 0.364 1.00 65.03 H new ATOM 0 HB1 ALA A 14 3.881 -11.978 1.521 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.266 -13.041 1.173 1.00 21.21 H new ATOM 0 HB3 ALA A 14 4.975 -11.601 0.169 1.00 21.21 H new ATOM 199 N ALA A 15 2.847 -11.504 -1.731 1.00 74.24 N ATOM 200 CA ALA A 15 1.865 -10.618 -2.360 1.00 32.11 C ATOM 201 C ALA A 15 0.841 -11.417 -3.170 1.00 51.43 C ATOM 202 O ALA A 15 -0.364 -11.182 -3.073 1.00 74.42 O ATOM 203 CB ALA A 15 2.570 -9.596 -3.246 1.00 53.00 C ATOM 0 H ALA A 15 3.800 -11.389 -2.077 1.00 74.24 H new ATOM 0 HA ALA A 15 1.328 -10.089 -1.572 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.830 -8.943 -3.708 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.253 -8.999 -2.641 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.132 -10.114 -4.023 1.00 53.00 H new ATOM 209 N TRP A 16 1.342 -12.363 -3.956 1.00 42.31 N ATOM 210 CA TRP A 16 0.513 -13.232 -4.793 1.00 14.44 C ATOM 211 C TRP A 16 -0.526 -13.974 -3.949 1.00 61.31 C ATOM 212 O TRP A 16 -1.706 -14.046 -4.305 1.00 4.24 O ATOM 213 CB TRP A 16 1.431 -14.213 -5.549 1.00 24.40 C ATOM 214 CG TRP A 16 0.774 -15.474 -6.036 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.124 -15.607 -7.056 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.999 -16.795 -5.525 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.471 -16.926 -7.209 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.207 -17.676 -6.278 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.800 -17.316 -4.503 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.188 -19.049 -6.035 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.778 -18.678 -4.265 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.977 -19.529 -5.032 1.00 12.14 C ATOM 0 H TRP A 16 2.341 -12.552 -4.033 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.038 -12.630 -5.515 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.860 -13.694 -6.406 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.259 -14.485 -4.894 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.505 -14.793 -7.655 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.126 -17.290 -7.901 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.425 -16.665 -3.910 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.432 -19.711 -6.622 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.388 -19.090 -3.475 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.983 -20.589 -4.826 1.00 12.14 H new ATOM 233 N LEU A 17 -0.075 -14.502 -2.820 1.00 61.21 N ATOM 234 CA LEU A 17 -0.940 -15.246 -1.909 1.00 62.45 C ATOM 235 C LEU A 17 -1.911 -14.325 -1.183 1.00 2.03 C ATOM 236 O LEU A 17 -3.112 -14.594 -1.133 1.00 1.20 O ATOM 237 CB LEU A 17 -0.084 -16.038 -0.909 1.00 54.03 C ATOM 238 CG LEU A 17 0.093 -17.518 -1.269 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.182 -18.172 -0.427 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.235 -18.251 -1.101 1.00 20.20 C ATOM 0 H LEU A 17 0.894 -14.429 -2.509 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.537 -15.944 -2.496 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.899 -15.572 -0.840 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.540 -15.968 0.079 1.00 54.03 H new ATOM 0 HG LEU A 17 0.408 -17.583 -2.311 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.280 -19.220 -0.709 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.129 -17.661 -0.597 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.917 -18.104 0.628 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.105 -19.302 -1.358 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.568 -18.168 -0.066 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -1.982 -17.806 -1.759 1.00 20.20 H new ATOM 252 N ASN A 18 -1.394 -13.229 -0.640 1.00 65.13 N ATOM 253 CA ASN A 18 -2.208 -12.307 0.148 1.00 45.11 C ATOM 254 C ASN A 18 -3.285 -11.658 -0.724 1.00 52.24 C ATOM 255 O ASN A 18 -4.365 -11.318 -0.242 1.00 12.31 O ATOM 256 CB ASN A 18 -1.328 -11.232 0.807 1.00 44.01 C ATOM 257 CG ASN A 18 -2.100 -10.292 1.727 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.743 -9.119 1.871 1.00 21.33 O ATOM 259 ND2 ASN A 18 -3.150 -10.790 2.369 1.00 62.40 N ATOM 0 H ASN A 18 -0.415 -12.956 -0.730 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.701 -12.877 0.936 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.539 -11.720 1.379 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.840 -10.646 0.028 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.688 -10.199 3.003 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.419 -11.764 2.228 1.00 62.40 H new ATOM 266 N ALA A 19 -2.988 -11.511 -2.013 1.00 61.24 N ATOM 267 CA ALA A 19 -3.950 -10.971 -2.969 1.00 24.21 C ATOM 268 C ALA A 19 -5.132 -11.927 -3.134 1.00 11.54 C ATOM 269 O ALA A 19 -6.264 -11.502 -3.386 1.00 11.42 O ATOM 270 CB ALA A 19 -3.274 -10.712 -4.313 1.00 61.32 C ATOM 0 H ALA A 19 -2.086 -11.759 -2.420 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.328 -10.023 -2.586 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -4.004 -10.310 -5.016 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.464 -9.995 -4.181 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.871 -11.646 -4.704 1.00 61.32 H new ATOM 276 N GLY A 20 -4.855 -13.221 -2.994 1.00 74.52 N ATOM 277 CA GLY A 20 -5.896 -14.228 -3.075 1.00 23.12 C ATOM 278 C GLY A 20 -6.553 -14.462 -1.731 1.00 55.43 C ATOM 279 O GLY A 20 -7.722 -14.849 -1.657 1.00 43.31 O ATOM 0 H GLY A 20 -3.920 -13.591 -2.825 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.649 -13.916 -3.799 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.471 -15.163 -3.440 1.00 23.12 H new ATOM 283 N TYR A 21 -5.799 -14.217 -0.663 1.00 62.21 N ATOM 284 CA TYR A 21 -6.288 -14.402 0.698 1.00 10.20 C ATOM 285 C TYR A 21 -5.928 -13.193 1.568 1.00 4.45 C ATOM 286 O TYR A 21 -4.898 -13.192 2.247 1.00 64.21 O ATOM 287 CB TYR A 21 -5.696 -15.670 1.319 1.00 61.50 C ATOM 288 CG TYR A 21 -6.109 -16.961 0.638 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.404 -17.448 0.761 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.197 -17.711 -0.102 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.781 -18.633 0.166 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.569 -18.899 -0.700 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.860 -19.358 -0.562 1.00 65.41 C ATOM 294 OH TYR A 21 -7.235 -20.539 -1.164 1.00 73.14 O ATOM 0 H TYR A 21 -4.836 -13.886 -0.717 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.373 -14.501 0.653 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.609 -15.595 1.297 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -5.992 -15.717 2.367 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.129 -16.888 1.333 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.182 -17.357 -0.210 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.794 -18.993 0.269 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.850 -19.466 -1.273 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.255 -20.419 -2.136 1.00 73.14 H new ATOM 304 N PRO A 22 -6.763 -12.141 1.547 1.00 33.03 N ATOM 305 CA PRO A 22 -6.538 -10.943 2.365 1.00 62.52 C ATOM 306 C PRO A 22 -6.913 -11.177 3.833 1.00 1.51 C ATOM 307 O PRO A 22 -6.458 -10.463 4.728 1.00 55.41 O ATOM 308 CB PRO A 22 -7.467 -9.907 1.717 1.00 44.14 C ATOM 309 CG PRO A 22 -8.586 -10.713 1.149 1.00 13.52 C ATOM 310 CD PRO A 22 -7.979 -12.024 0.715 1.00 34.34 C ATOM 0 HA PRO A 22 -5.492 -10.637 2.388 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.829 -9.186 2.449 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.951 -9.342 0.941 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.368 -10.872 1.892 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -9.048 -10.199 0.306 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.662 -12.857 0.885 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.738 -12.021 -0.348 1.00 34.34 H new ATOM 318 N GLU A 23 -7.732 -12.200 4.068 1.00 61.20 N ATOM 319 CA GLU A 23 -8.266 -12.495 5.398 1.00 14.11 C ATOM 320 C GLU A 23 -7.705 -13.809 5.938 1.00 1.14 C ATOM 321 O GLU A 23 -8.158 -14.311 6.972 1.00 3.25 O ATOM 322 CB GLU A 23 -9.794 -12.571 5.313 1.00 54.54 C ATOM 323 CG GLU A 23 -10.294 -13.609 4.312 1.00 45.01 C ATOM 324 CD GLU A 23 -11.801 -13.584 4.148 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.504 -14.242 4.945 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.293 -12.894 3.228 1.00 54.44 O ATOM 0 H GLU A 23 -8.044 -12.847 3.344 1.00 61.20 H new ATOM 0 HA GLU A 23 -7.969 -11.701 6.083 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.194 -12.806 6.299 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.184 -11.592 5.036 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.824 -13.431 3.345 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -9.984 -14.602 4.639 1.00 45.01 H new ATOM 333 N GLY A 24 -6.714 -14.356 5.245 1.00 55.34 N ATOM 334 CA GLY A 24 -6.162 -15.647 5.616 1.00 5.42 C ATOM 335 C GLY A 24 -6.761 -16.765 4.788 1.00 72.15 C ATOM 336 O GLY A 24 -7.579 -16.510 3.900 1.00 1.40 O ATOM 0 H GLY A 24 -6.280 -13.926 4.428 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.080 -15.633 5.483 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.351 -15.834 6.673 1.00 5.42 H new ATOM 340 N VAL A 25 -6.363 -18.001 5.068 1.00 31.52 N ATOM 341 CA VAL A 25 -6.825 -19.157 4.301 1.00 42.05 C ATOM 342 C VAL A 25 -7.455 -20.189 5.244 1.00 51.00 C ATOM 343 O VAL A 25 -6.882 -20.493 6.290 1.00 41.02 O ATOM 344 CB VAL A 25 -5.651 -19.837 3.532 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.169 -20.739 2.418 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.647 -18.810 3.013 1.00 50.32 C ATOM 0 H VAL A 25 -5.718 -18.231 5.824 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.560 -18.801 3.579 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.117 -20.471 4.240 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.327 -21.198 1.901 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.801 -21.518 2.845 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.750 -20.147 1.711 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.844 -19.322 2.483 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.149 -18.122 2.333 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.230 -18.252 3.852 1.00 50.32 H new ATOM 356 N PRO A 26 -8.642 -20.725 4.908 1.00 73.25 N ATOM 357 CA PRO A 26 -9.258 -21.807 5.688 1.00 54.21 C ATOM 358 C PRO A 26 -8.530 -23.139 5.473 1.00 64.34 C ATOM 359 O PRO A 26 -7.878 -23.336 4.448 1.00 2.12 O ATOM 360 CB PRO A 26 -10.693 -21.865 5.146 1.00 23.03 C ATOM 361 CG PRO A 26 -10.595 -21.336 3.755 1.00 64.34 C ATOM 362 CD PRO A 26 -9.483 -20.315 3.763 1.00 63.21 C ATOM 0 HA PRO A 26 -9.215 -21.629 6.762 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.079 -22.884 5.156 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.370 -21.262 5.752 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.380 -22.138 3.049 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.536 -20.882 3.445 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.922 -20.327 2.829 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.868 -19.303 3.891 1.00 63.21 H new ATOM 370 N GLY A 27 -8.643 -24.044 6.448 1.00 3.45 N ATOM 371 CA GLY A 27 -7.940 -25.329 6.412 1.00 3.53 C ATOM 372 C GLY A 27 -8.014 -26.054 5.073 1.00 40.15 C ATOM 373 O GLY A 27 -6.969 -26.332 4.464 1.00 54.14 O ATOM 0 H GLY A 27 -9.220 -23.909 7.279 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.892 -25.163 6.663 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.354 -25.977 7.185 1.00 3.53 H new ATOM 377 N PRO A 28 -9.236 -26.359 4.580 1.00 4.10 N ATOM 378 CA PRO A 28 -9.438 -27.109 3.326 1.00 31.40 C ATOM 379 C PRO A 28 -8.717 -26.488 2.130 1.00 1.42 C ATOM 380 O PRO A 28 -8.489 -27.157 1.126 1.00 5.10 O ATOM 381 CB PRO A 28 -10.961 -27.065 3.122 1.00 12.20 C ATOM 382 CG PRO A 28 -11.510 -26.892 4.491 1.00 51.25 C ATOM 383 CD PRO A 28 -10.525 -26.010 5.210 1.00 54.20 C ATOM 0 HA PRO A 28 -9.030 -28.117 3.396 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.251 -26.241 2.470 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.327 -27.982 2.660 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.499 -26.434 4.462 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.618 -27.852 4.995 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.763 -24.954 5.082 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.516 -26.207 6.282 1.00 54.20 H new ATOM 391 N ASP A 29 -8.363 -25.208 2.243 1.00 63.12 N ATOM 392 CA ASP A 29 -7.625 -24.522 1.186 1.00 75.13 C ATOM 393 C ASP A 29 -6.148 -24.409 1.560 1.00 41.35 C ATOM 394 O ASP A 29 -5.276 -24.444 0.691 1.00 20.04 O ATOM 395 CB ASP A 29 -8.223 -23.132 0.917 1.00 13.15 C ATOM 396 CG ASP A 29 -9.637 -23.207 0.354 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.602 -23.274 1.152 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.789 -23.219 -0.886 1.00 42.44 O ATOM 0 H ASP A 29 -8.575 -24.627 3.054 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.708 -25.108 0.271 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.234 -22.559 1.844 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.584 -22.594 0.217 1.00 13.15 H new ATOM 403 N ARG A 30 -5.873 -24.314 2.860 1.00 54.40 N ATOM 404 CA ARG A 30 -4.503 -24.210 3.363 1.00 24.35 C ATOM 405 C ARG A 30 -3.688 -25.440 2.979 1.00 11.25 C ATOM 406 O ARG A 30 -2.605 -25.326 2.398 1.00 45.02 O ATOM 407 CB ARG A 30 -4.481 -24.064 4.893 1.00 44.21 C ATOM 408 CG ARG A 30 -4.919 -22.704 5.413 1.00 23.22 C ATOM 409 CD ARG A 30 -4.683 -22.573 6.917 1.00 3.15 C ATOM 410 NE ARG A 30 -5.485 -23.525 7.690 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.054 -24.170 8.781 1.00 23.15 C ATOM 412 NH1 ARG A 30 -3.827 -23.967 9.245 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.864 -25.013 9.413 1.00 74.54 N ATOM 0 H ARG A 30 -6.586 -24.307 3.589 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.063 -23.322 2.909 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.128 -24.828 5.326 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.470 -24.264 5.248 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.372 -21.920 4.889 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.977 -22.554 5.196 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.626 -22.732 7.132 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.923 -21.558 7.233 1.00 3.15 H new ATOM 0 HE ARG A 30 -6.438 -23.709 7.375 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.203 -23.315 8.770 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -3.508 -24.463 10.077 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.811 -25.167 9.066 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -5.539 -25.506 10.245 1.00 74.54 H new ATOM 427 N VAL A 31 -4.222 -26.614 3.311 1.00 12.44 N ATOM 428 CA VAL A 31 -3.501 -27.872 3.106 1.00 14.30 C ATOM 429 C VAL A 31 -3.074 -28.043 1.635 1.00 1.22 C ATOM 430 O VAL A 31 -1.897 -28.280 1.354 1.00 3.34 O ATOM 431 CB VAL A 31 -4.340 -29.095 3.572 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.531 -30.383 3.481 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.863 -28.888 4.991 1.00 61.25 C ATOM 0 H VAL A 31 -5.149 -26.722 3.722 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.601 -27.826 3.719 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.195 -29.185 2.902 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.143 -31.221 3.813 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.222 -30.546 2.449 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.649 -30.304 4.116 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.447 -29.757 5.294 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.023 -28.759 5.673 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.493 -27.999 5.020 1.00 61.25 H new ATOM 443 N PRO A 32 -4.013 -27.919 0.664 1.00 64.13 N ATOM 444 CA PRO A 32 -3.676 -28.011 -0.760 1.00 15.21 C ATOM 445 C PRO A 32 -2.827 -26.827 -1.233 1.00 21.04 C ATOM 446 O PRO A 32 -2.006 -26.976 -2.139 1.00 13.40 O ATOM 447 CB PRO A 32 -5.043 -28.020 -1.458 1.00 64.15 C ATOM 448 CG PRO A 32 -5.947 -27.323 -0.509 1.00 73.12 C ATOM 449 CD PRO A 32 -5.462 -27.697 0.864 1.00 53.53 C ATOM 0 HA PRO A 32 -3.074 -28.893 -0.981 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.002 -27.506 -2.418 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.382 -29.037 -1.655 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.912 -26.244 -0.656 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -6.982 -27.631 -0.656 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.651 -26.904 1.587 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -5.959 -28.593 1.236 1.00 53.53 H new ATOM 457 N LEU A 33 -3.033 -25.656 -0.620 1.00 51.45 N ATOM 458 CA LEU A 33 -2.237 -24.471 -0.945 1.00 71.25 C ATOM 459 C LEU A 33 -0.755 -24.778 -0.752 1.00 22.31 C ATOM 460 O LEU A 33 0.067 -24.525 -1.637 1.00 14.43 O ATOM 461 CB LEU A 33 -2.677 -23.274 -0.068 1.00 44.31 C ATOM 462 CG LEU A 33 -2.087 -21.890 -0.430 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.675 -21.723 0.121 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.108 -21.670 -1.944 1.00 5.41 C ATOM 0 H LEU A 33 -3.740 -25.505 0.099 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.400 -24.201 -1.988 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.764 -23.202 -0.112 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.414 -23.496 0.966 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.715 -21.131 0.037 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.292 -20.740 -0.152 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.695 -21.816 1.207 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.028 -22.494 -0.297 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.689 -20.691 -2.175 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.515 -22.443 -2.432 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.135 -21.719 -2.305 1.00 5.41 H new ATOM 476 N LEU A 34 -0.425 -25.352 0.399 1.00 52.24 N ATOM 477 CA LEU A 34 0.953 -25.720 0.698 1.00 54.12 C ATOM 478 C LEU A 34 1.392 -26.907 -0.139 1.00 50.24 C ATOM 479 O LEU A 34 2.531 -26.954 -0.610 1.00 13.00 O ATOM 480 CB LEU A 34 1.129 -26.034 2.186 1.00 2.21 C ATOM 481 CG LEU A 34 1.554 -24.841 3.054 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.915 -24.319 2.610 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.501 -23.733 3.006 1.00 74.02 C ATOM 0 H LEU A 34 -1.092 -25.572 1.139 1.00 52.24 H new ATOM 0 HA LEU A 34 1.582 -24.866 0.448 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.189 -26.429 2.572 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.873 -26.823 2.290 1.00 2.21 H new ATOM 0 HG LEU A 34 1.638 -25.178 4.087 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.202 -23.473 3.235 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.658 -25.111 2.707 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.860 -23.999 1.570 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.823 -22.898 3.628 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.377 -23.393 1.978 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.449 -24.117 3.378 1.00 74.02 H new ATOM 495 N ALA A 35 0.496 -27.873 -0.313 1.00 22.33 N ATOM 496 CA ALA A 35 0.796 -29.038 -1.130 1.00 2.14 C ATOM 497 C ALA A 35 1.234 -28.600 -2.527 1.00 71.13 C ATOM 498 O ALA A 35 2.141 -29.186 -3.122 1.00 71.44 O ATOM 499 CB ALA A 35 -0.410 -29.969 -1.207 1.00 72.12 C ATOM 0 H ALA A 35 -0.437 -27.871 0.099 1.00 22.33 H new ATOM 0 HA ALA A 35 1.614 -29.588 -0.666 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.163 -30.834 -1.823 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.677 -30.302 -0.204 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.253 -29.437 -1.649 1.00 72.12 H new ATOM 505 N LEU A 36 0.575 -27.559 -3.028 1.00 60.32 N ATOM 506 CA LEU A 36 0.907 -26.959 -4.316 1.00 5.22 C ATOM 507 C LEU A 36 2.235 -26.192 -4.225 1.00 32.42 C ATOM 508 O LEU A 36 3.119 -26.372 -5.062 1.00 24.53 O ATOM 509 CB LEU A 36 -0.255 -26.047 -4.767 1.00 43.41 C ATOM 510 CG LEU A 36 -0.146 -25.409 -6.174 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.770 -24.185 -6.166 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.327 -26.439 -7.202 1.00 70.30 C ATOM 0 H LEU A 36 -0.205 -27.107 -2.551 1.00 60.32 H new ATOM 0 HA LEU A 36 1.040 -27.740 -5.064 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.176 -26.629 -4.730 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.357 -25.243 -4.038 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.142 -25.071 -6.461 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.823 -23.763 -7.170 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.373 -23.438 -5.479 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.769 -24.480 -5.843 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.396 -25.969 -8.183 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.306 -26.819 -6.912 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.384 -27.264 -7.245 1.00 70.30 H new ATOM 524 N LEU A 37 2.364 -25.341 -3.206 1.00 22.00 N ATOM 525 CA LEU A 37 3.578 -24.533 -3.011 1.00 0.21 C ATOM 526 C LEU A 37 4.840 -25.398 -3.006 1.00 50.35 C ATOM 527 O LEU A 37 5.810 -25.109 -3.706 1.00 73.01 O ATOM 528 CB LEU A 37 3.495 -23.739 -1.690 1.00 72.43 C ATOM 529 CG LEU A 37 2.896 -22.326 -1.789 1.00 43.44 C ATOM 530 CD1 LEU A 37 2.800 -21.683 -0.405 1.00 4.05 C ATOM 531 CD2 LEU A 37 3.730 -21.455 -2.723 1.00 24.13 C ATOM 0 H LEU A 37 1.644 -25.190 -2.500 1.00 22.00 H new ATOM 0 HA LEU A 37 3.640 -23.840 -3.850 1.00 0.21 H new ATOM 0 HB2 LEU A 37 2.901 -24.315 -0.980 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.499 -23.658 -1.274 1.00 72.43 H new ATOM 0 HG LEU A 37 1.890 -22.410 -2.200 1.00 43.44 H new ATOM 0 HD11 LEU A 37 2.374 -20.684 -0.497 1.00 4.05 H new ATOM 0 HD12 LEU A 37 2.162 -22.292 0.236 1.00 4.05 H new ATOM 0 HD13 LEU A 37 3.795 -21.614 0.034 1.00 4.05 H new ATOM 0 HD21 LEU A 37 3.291 -20.459 -2.781 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.748 -21.381 -2.340 1.00 24.13 H new ATOM 0 HD23 LEU A 37 3.748 -21.901 -3.717 1.00 24.13 H new ATOM 543 N THR A 38 4.797 -26.476 -2.234 1.00 10.21 N ATOM 544 CA THR A 38 5.972 -27.309 -1.980 1.00 5.04 C ATOM 545 C THR A 38 6.468 -28.030 -3.235 1.00 62.54 C ATOM 546 O THR A 38 7.539 -28.640 -3.222 1.00 50.11 O ATOM 547 CB THR A 38 5.695 -28.331 -0.850 1.00 61.23 C ATOM 548 OG1 THR A 38 4.453 -29.010 -1.096 1.00 1.52 O ATOM 549 CG2 THR A 38 5.642 -27.644 0.515 1.00 31.33 C ATOM 0 H THR A 38 3.950 -26.800 -1.766 1.00 10.21 H new ATOM 0 HA THR A 38 6.765 -26.632 -1.662 1.00 5.04 H new ATOM 0 HB THR A 38 6.512 -29.053 -0.841 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.707 -28.438 -0.819 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.446 -28.386 1.289 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.596 -27.156 0.714 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.846 -26.899 0.517 1.00 31.33 H new ATOM 557 N ARG A 39 5.688 -27.972 -4.306 1.00 14.25 N ATOM 558 CA ARG A 39 6.074 -28.588 -5.567 1.00 24.04 C ATOM 559 C ARG A 39 7.334 -27.925 -6.122 1.00 71.34 C ATOM 560 O ARG A 39 8.181 -28.585 -6.723 1.00 72.22 O ATOM 561 CB ARG A 39 4.920 -28.490 -6.565 1.00 54.52 C ATOM 562 CG ARG A 39 3.641 -29.178 -6.089 1.00 31.23 C ATOM 563 CD ARG A 39 3.871 -30.639 -5.715 1.00 22.04 C ATOM 564 NE ARG A 39 4.153 -31.477 -6.881 1.00 23.20 N ATOM 565 CZ ARG A 39 4.948 -32.548 -6.857 1.00 2.41 C ATOM 566 NH1 ARG A 39 5.691 -32.812 -5.787 1.00 33.22 N ATOM 567 NH2 ARG A 39 5.036 -33.333 -7.922 1.00 12.20 N ATOM 0 H ARG A 39 4.782 -27.503 -4.326 1.00 14.25 H new ATOM 0 HA ARG A 39 6.297 -29.641 -5.396 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.707 -27.439 -6.759 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.230 -28.933 -7.512 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.244 -28.643 -5.226 1.00 31.23 H new ATOM 0 HG3 ARG A 39 2.887 -29.121 -6.874 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.703 -30.705 -5.014 1.00 22.04 H new ATOM 0 HD3 ARG A 39 2.990 -31.022 -5.200 1.00 22.04 H new ATOM 0 HE ARG A 39 3.714 -31.227 -7.767 1.00 23.20 H new ATOM 0 HH11 ARG A 39 5.656 -32.194 -4.977 1.00 33.22 H new ATOM 0 HH12 ARG A 39 6.296 -33.633 -5.776 1.00 33.22 H new ATOM 0 HH21 ARG A 39 4.496 -33.118 -8.760 1.00 12.20 H new ATOM 0 HH22 ARG A 39 5.644 -34.152 -7.903 1.00 12.20 H new ATOM 581 N ARG A 40 7.456 -26.612 -5.912 1.00 53.35 N ATOM 582 CA ARG A 40 8.662 -25.869 -6.281 1.00 42.31 C ATOM 583 C ARG A 40 8.960 -24.819 -5.221 1.00 74.53 C ATOM 584 O ARG A 40 8.736 -23.625 -5.442 1.00 12.24 O ATOM 585 CB ARG A 40 8.533 -25.172 -7.650 1.00 64.35 C ATOM 586 CG ARG A 40 8.103 -26.070 -8.807 1.00 51.10 C ATOM 587 CD ARG A 40 6.609 -25.955 -9.085 1.00 53.50 C ATOM 588 NE ARG A 40 6.240 -26.593 -10.351 1.00 44.33 N ATOM 589 CZ ARG A 40 5.936 -25.925 -11.465 1.00 71.12 C ATOM 590 NH1 ARG A 40 6.025 -24.599 -11.496 1.00 73.41 N ATOM 591 NH2 ARG A 40 5.577 -26.583 -12.558 1.00 72.30 N ATOM 0 H ARG A 40 6.728 -26.039 -5.485 1.00 53.35 H new ATOM 0 HA ARG A 40 9.474 -26.593 -6.350 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.813 -24.359 -7.558 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.493 -24.721 -7.900 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.662 -25.801 -9.703 1.00 51.10 H new ATOM 0 HG3 ARG A 40 8.351 -27.106 -8.575 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.051 -26.416 -8.270 1.00 53.50 H new ATOM 0 HD3 ARG A 40 6.324 -24.903 -9.112 1.00 53.50 H new ATOM 0 HE ARG A 40 6.214 -27.612 -10.383 1.00 44.33 H new ATOM 0 HH11 ARG A 40 6.327 -24.089 -10.666 1.00 73.41 H new ATOM 0 HH12 ARG A 40 5.792 -24.092 -12.350 1.00 73.41 H new ATOM 0 HH21 ARG A 40 5.533 -27.602 -12.548 1.00 72.30 H new ATOM 0 HH22 ARG A 40 5.345 -26.070 -13.409 1.00 72.30 H new ATOM 605 N LEU A 41 9.432 -25.262 -4.065 1.00 34.24 N ATOM 606 CA LEU A 41 9.724 -24.355 -2.959 1.00 61.12 C ATOM 607 C LEU A 41 10.562 -25.074 -1.901 1.00 73.41 C ATOM 608 O LEU A 41 10.331 -26.253 -1.615 1.00 54.35 O ATOM 609 CB LEU A 41 8.413 -23.837 -2.338 1.00 3.20 C ATOM 610 CG LEU A 41 8.432 -22.371 -1.872 1.00 25.42 C ATOM 611 CD1 LEU A 41 8.634 -21.435 -3.062 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.149 -22.028 -1.122 1.00 65.23 C ATOM 0 H LEU A 41 9.622 -26.244 -3.866 1.00 34.24 H new ATOM 0 HA LEU A 41 10.290 -23.505 -3.339 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.613 -23.957 -3.069 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.162 -24.467 -1.485 1.00 3.20 H new ATOM 0 HG LEU A 41 9.269 -22.237 -1.187 1.00 25.42 H new ATOM 0 HD11 LEU A 41 8.645 -20.402 -2.715 1.00 35.11 H new ATOM 0 HD12 LEU A 41 9.582 -21.664 -3.548 1.00 35.11 H new ATOM 0 HD13 LEU A 41 7.819 -21.570 -3.773 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.182 -20.987 -0.801 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.292 -22.178 -1.779 1.00 65.23 H new ATOM 0 HD23 LEU A 41 7.054 -22.674 -0.249 1.00 65.23 H new ATOM 624 N THR A 42 11.537 -24.373 -1.343 1.00 74.31 N ATOM 625 CA THR A 42 12.373 -24.923 -0.280 1.00 41.11 C ATOM 626 C THR A 42 11.782 -24.587 1.086 1.00 41.00 C ATOM 627 O THR A 42 10.948 -23.678 1.205 1.00 32.31 O ATOM 628 CB THR A 42 13.813 -24.369 -0.359 1.00 51.30 C ATOM 629 OG1 THR A 42 13.807 -22.956 -0.112 1.00 51.23 O ATOM 630 CG2 THR A 42 14.429 -24.635 -1.726 1.00 74.30 C ATOM 0 H THR A 42 11.772 -23.417 -1.609 1.00 74.31 H new ATOM 0 HA THR A 42 12.405 -26.005 -0.411 1.00 41.11 H new ATOM 0 HB THR A 42 14.410 -24.876 0.398 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.723 -22.611 -0.162 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.442 -24.234 -1.753 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.459 -25.709 -1.909 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.828 -24.152 -2.496 1.00 74.30 H new ATOM 638 N ASN A 43 12.211 -25.310 2.119 1.00 61.44 N ATOM 639 CA ASN A 43 11.758 -25.036 3.476 1.00 23.11 C ATOM 640 C ASN A 43 12.193 -23.634 3.896 1.00 72.30 C ATOM 641 O ASN A 43 11.475 -22.940 4.614 1.00 71.12 O ATOM 642 CB ASN A 43 12.268 -26.087 4.473 1.00 34.35 C ATOM 643 CG ASN A 43 11.599 -27.443 4.275 1.00 3.52 C ATOM 644 OD1 ASN A 43 11.380 -27.885 3.149 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.221 -28.091 5.369 1.00 61.42 N ATOM 0 H ASN A 43 12.869 -26.086 2.040 1.00 61.44 H new ATOM 0 HA ASN A 43 10.669 -25.090 3.485 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.347 -26.197 4.362 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.086 -25.739 5.490 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.733 -28.983 5.290 1.00 61.42 H new ATOM 0 HD22 ASN A 43 11.418 -27.697 6.289 1.00 61.42 H new ATOM 652 N ASP A 44 13.357 -23.221 3.407 1.00 0.21 N ATOM 653 CA ASP A 44 13.889 -21.881 3.670 1.00 22.12 C ATOM 654 C ASP A 44 12.930 -20.818 3.137 1.00 42.40 C ATOM 655 O ASP A 44 12.646 -19.820 3.805 1.00 60.34 O ATOM 656 CB ASP A 44 15.263 -21.723 3.001 1.00 1.30 C ATOM 657 CG ASP A 44 15.975 -20.433 3.387 1.00 22.22 C ATOM 658 OD1 ASP A 44 15.742 -19.390 2.737 1.00 41.24 O ATOM 659 OD2 ASP A 44 16.780 -20.455 4.341 1.00 4.40 O ATOM 0 H ASP A 44 13.959 -23.799 2.820 1.00 0.21 H new ATOM 0 HA ASP A 44 13.997 -21.752 4.747 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.891 -22.572 3.272 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.138 -21.751 1.919 1.00 1.30 H new ATOM 664 N GLU A 45 12.429 -21.054 1.927 1.00 2.43 N ATOM 665 CA GLU A 45 11.511 -20.132 1.261 1.00 12.41 C ATOM 666 C GLU A 45 10.153 -20.072 1.973 1.00 74.32 C ATOM 667 O GLU A 45 9.693 -18.991 2.373 1.00 52.21 O ATOM 668 CB GLU A 45 11.341 -20.543 -0.210 1.00 10.44 C ATOM 669 CG GLU A 45 12.570 -20.269 -1.067 1.00 2.34 C ATOM 670 CD GLU A 45 12.428 -20.814 -2.481 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.630 -22.034 -2.670 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.110 -20.032 -3.396 1.00 64.14 O ATOM 0 H GLU A 45 12.647 -21.888 1.381 1.00 2.43 H new ATOM 0 HA GLU A 45 11.939 -19.131 1.305 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.106 -21.606 -0.256 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.489 -20.010 -0.631 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.746 -19.194 -1.111 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.445 -20.716 -0.595 1.00 2.34 H new ATOM 679 N ILE A 46 9.513 -21.232 2.143 1.00 40.25 N ATOM 680 CA ILE A 46 8.201 -21.289 2.793 1.00 2.42 C ATOM 681 C ILE A 46 8.273 -20.670 4.189 1.00 23.22 C ATOM 682 O ILE A 46 7.355 -19.961 4.613 1.00 2.24 O ATOM 683 CB ILE A 46 7.648 -22.749 2.848 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.257 -22.826 3.522 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.634 -23.677 3.546 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.283 -22.940 5.040 1.00 5.20 C ATOM 0 H ILE A 46 9.878 -22.136 1.843 1.00 40.25 H new ATOM 0 HA ILE A 46 7.502 -20.706 2.193 1.00 2.42 H new ATOM 0 HB ILE A 46 7.525 -23.080 1.817 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.688 -21.937 3.249 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.721 -23.684 3.117 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.227 -24.688 3.572 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.578 -23.680 3.002 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.804 -23.328 4.565 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.262 -22.988 5.419 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.820 -23.844 5.328 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.786 -22.070 5.462 1.00 5.20 H new ATOM 698 N LYS A 47 9.375 -20.923 4.893 1.00 61.14 N ATOM 699 CA LYS A 47 9.599 -20.308 6.194 1.00 33.02 C ATOM 700 C LYS A 47 9.752 -18.800 6.050 1.00 44.41 C ATOM 701 O LYS A 47 9.163 -18.046 6.815 1.00 14.11 O ATOM 702 CB LYS A 47 10.833 -20.891 6.891 1.00 63.24 C ATOM 703 CG LYS A 47 10.616 -22.286 7.464 1.00 43.11 C ATOM 704 CD LYS A 47 11.790 -22.720 8.336 1.00 45.04 C ATOM 705 CE LYS A 47 11.558 -24.095 8.949 1.00 73.15 C ATOM 706 NZ LYS A 47 12.661 -24.489 9.862 1.00 75.33 N ATOM 0 H LYS A 47 10.121 -21.546 4.584 1.00 61.14 H new ATOM 0 HA LYS A 47 8.728 -20.526 6.812 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.658 -20.925 6.179 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.134 -20.221 7.696 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.699 -22.300 8.053 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.483 -22.998 6.650 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.701 -22.737 7.738 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.944 -21.989 9.130 1.00 45.04 H new ATOM 0 HE2 LYS A 47 10.616 -24.093 9.498 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.463 -24.835 8.154 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 12.464 -25.430 10.258 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 13.556 -24.516 9.334 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 12.736 -23.797 10.635 1.00 75.33 H new ATOM 720 N ALA A 48 10.531 -18.369 5.058 1.00 32.32 N ATOM 721 CA ALA A 48 10.752 -16.945 4.808 1.00 3.50 C ATOM 722 C ALA A 48 9.419 -16.212 4.690 1.00 23.32 C ATOM 723 O ALA A 48 9.256 -15.109 5.218 1.00 52.32 O ATOM 724 CB ALA A 48 11.584 -16.737 3.548 1.00 43.35 C ATOM 0 H ALA A 48 11.021 -18.988 4.412 1.00 32.32 H new ATOM 0 HA ALA A 48 11.304 -16.534 5.653 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.735 -15.670 3.383 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.551 -17.226 3.666 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.062 -17.166 2.693 1.00 43.35 H new ATOM 730 N ILE A 49 8.467 -16.842 4.001 1.00 73.51 N ATOM 731 CA ILE A 49 7.115 -16.296 3.880 1.00 11.34 C ATOM 732 C ILE A 49 6.488 -16.098 5.263 1.00 32.52 C ATOM 733 O ILE A 49 5.887 -15.058 5.544 1.00 25.45 O ATOM 734 CB ILE A 49 6.202 -17.218 3.027 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.787 -17.395 1.615 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.779 -16.660 2.952 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.915 -16.100 0.836 1.00 74.30 C ATOM 0 H ILE A 49 8.607 -17.730 3.519 1.00 73.51 H new ATOM 0 HA ILE A 49 7.199 -15.332 3.378 1.00 11.34 H new ATOM 0 HB ILE A 49 6.158 -18.194 3.510 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.771 -17.858 1.695 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.155 -18.084 1.054 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.159 -17.324 2.349 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.363 -16.588 3.957 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.800 -15.670 2.496 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.335 -16.307 -0.148 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.931 -15.645 0.722 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.571 -15.416 1.373 1.00 74.30 H new ATOM 749 N ALA A 50 6.657 -17.091 6.132 1.00 21.02 N ATOM 750 CA ALA A 50 6.095 -17.037 7.477 1.00 1.35 C ATOM 751 C ALA A 50 6.778 -15.943 8.279 1.00 3.30 C ATOM 752 O ALA A 50 6.136 -15.171 8.988 1.00 40.12 O ATOM 753 CB ALA A 50 6.266 -18.381 8.181 1.00 61.30 C ATOM 0 H ALA A 50 7.179 -17.943 5.928 1.00 21.02 H new ATOM 0 HA ALA A 50 5.030 -16.816 7.402 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.841 -18.323 9.183 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.752 -19.157 7.613 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.326 -18.623 8.250 1.00 61.30 H new ATOM 759 N GLU A 51 8.090 -15.886 8.119 1.00 14.35 N ATOM 760 CA GLU A 51 8.942 -14.957 8.838 1.00 45.45 C ATOM 761 C GLU A 51 8.555 -13.509 8.559 1.00 61.23 C ATOM 762 O GLU A 51 8.609 -12.664 9.453 1.00 40.34 O ATOM 763 CB GLU A 51 10.400 -15.213 8.443 1.00 4.25 C ATOM 764 CG GLU A 51 10.913 -16.577 8.894 1.00 61.30 C ATOM 765 CD GLU A 51 11.253 -16.605 10.378 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.325 -16.085 10.754 1.00 71.41 O ATOM 767 OE2 GLU A 51 10.447 -17.134 11.172 1.00 71.15 O ATOM 0 H GLU A 51 8.599 -16.493 7.476 1.00 14.35 H new ATOM 0 HA GLU A 51 8.815 -15.120 9.908 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.495 -15.136 7.360 1.00 4.25 H new ATOM 0 HB3 GLU A 51 11.029 -14.434 8.875 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.159 -17.335 8.682 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.799 -16.839 8.316 1.00 61.30 H new ATOM 774 N ASP A 52 8.168 -13.215 7.321 1.00 54.12 N ATOM 775 CA ASP A 52 7.749 -11.857 6.972 1.00 62.53 C ATOM 776 C ASP A 52 6.367 -11.566 7.535 1.00 5.34 C ATOM 777 O ASP A 52 6.171 -10.591 8.267 1.00 13.14 O ATOM 778 CB ASP A 52 7.715 -11.652 5.454 1.00 51.25 C ATOM 779 CG ASP A 52 7.408 -10.200 5.092 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.330 -9.361 5.156 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.240 -9.887 4.766 1.00 61.55 O ATOM 0 H ASP A 52 8.135 -13.885 6.553 1.00 54.12 H new ATOM 0 HA ASP A 52 8.480 -11.174 7.405 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.675 -11.940 5.025 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.961 -12.305 5.014 1.00 51.25 H new ATOM 786 N LEU A 53 5.426 -12.451 7.226 1.00 34.00 N ATOM 787 CA LEU A 53 4.021 -12.243 7.559 1.00 31.15 C ATOM 788 C LEU A 53 3.802 -12.157 9.072 1.00 63.44 C ATOM 789 O LEU A 53 2.994 -11.352 9.541 1.00 24.44 O ATOM 790 CB LEU A 53 3.166 -13.357 6.942 1.00 23.10 C ATOM 791 CG LEU A 53 3.212 -13.427 5.401 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.359 -14.578 4.874 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.772 -12.098 4.784 1.00 2.44 C ATOM 0 H LEU A 53 5.613 -13.328 6.740 1.00 34.00 H new ATOM 0 HA LEU A 53 3.712 -11.286 7.138 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.495 -14.315 7.346 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.131 -13.218 7.255 1.00 23.10 H new ATOM 0 HG LEU A 53 4.244 -13.616 5.106 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.412 -14.601 3.786 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.731 -15.520 5.276 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.324 -14.435 5.184 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.812 -12.170 3.697 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.752 -11.872 5.095 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.438 -11.303 5.120 1.00 2.44 H new ATOM 805 N GLU A 54 4.543 -12.960 9.835 1.00 42.35 N ATOM 806 CA GLU A 54 4.399 -12.970 11.290 1.00 71.35 C ATOM 807 C GLU A 54 4.838 -11.630 11.882 1.00 51.43 C ATOM 808 O GLU A 54 4.336 -11.209 12.926 1.00 2.04 O ATOM 809 CB GLU A 54 5.212 -14.113 11.917 1.00 71.34 C ATOM 810 CG GLU A 54 6.723 -13.985 11.722 1.00 45.42 C ATOM 811 CD GLU A 54 7.496 -14.109 13.022 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.643 -13.093 13.729 1.00 1.20 O ATOM 813 OE2 GLU A 54 7.946 -15.224 13.351 1.00 25.13 O ATOM 0 H GLU A 54 5.244 -13.607 9.473 1.00 42.35 H new ATOM 0 HA GLU A 54 3.346 -13.130 11.520 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.997 -14.154 12.985 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.880 -15.058 11.488 1.00 71.34 H new ATOM 0 HG2 GLU A 54 7.062 -14.755 11.028 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.945 -13.022 11.263 1.00 45.42 H new ATOM 963 N ASP A 63 -1.268 -20.040 10.240 1.00 1.43 N ATOM 964 CA ASP A 63 0.124 -20.511 10.134 1.00 15.25 C ATOM 965 C ASP A 63 0.348 -21.330 8.855 1.00 43.10 C ATOM 966 O ASP A 63 -0.490 -22.136 8.461 1.00 22.32 O ATOM 967 CB ASP A 63 0.544 -21.324 11.368 1.00 62.22 C ATOM 968 CG ASP A 63 2.035 -21.637 11.358 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.834 -20.711 11.601 1.00 31.43 O ATOM 970 OD2 ASP A 63 2.410 -22.801 11.108 1.00 71.15 O ATOM 0 HA ASP A 63 0.753 -19.622 10.084 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.295 -20.768 12.272 1.00 62.22 H new ATOM 0 HB3 ASP A 63 -0.023 -22.255 11.400 1.00 62.22 H new ATOM 975 N ILE A 64 1.483 -21.096 8.205 1.00 35.01 N ATOM 976 CA ILE A 64 1.817 -21.752 6.934 1.00 74.34 C ATOM 977 C ILE A 64 2.626 -23.039 7.147 1.00 73.52 C ATOM 978 O ILE A 64 2.468 -24.011 6.403 1.00 13.12 O ATOM 979 CB ILE A 64 2.586 -20.767 6.014 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.033 -21.446 4.718 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.782 -20.171 6.746 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.357 -20.476 3.606 1.00 23.31 C ATOM 0 H ILE A 64 2.199 -20.450 8.538 1.00 35.01 H new ATOM 0 HA ILE A 64 0.883 -22.037 6.451 1.00 74.34 H new ATOM 0 HB ILE A 64 1.903 -19.960 5.748 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.912 -22.057 4.923 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.246 -22.121 4.382 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.308 -19.483 6.084 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.437 -19.633 7.629 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.458 -20.970 7.050 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.666 -21.029 2.719 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.474 -19.881 3.373 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.165 -19.817 3.922 1.00 23.31 H new ATOM 994 N GLY A 65 3.463 -23.055 8.180 1.00 24.22 N ATOM 995 CA GLY A 65 4.346 -24.187 8.417 1.00 1.30 C ATOM 996 C GLY A 65 3.594 -25.442 8.831 1.00 31.50 C ATOM 997 O GLY A 65 3.925 -26.549 8.393 1.00 64.12 O ATOM 0 H GLY A 65 3.547 -22.301 8.861 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.917 -24.393 7.512 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.064 -23.926 9.194 1.00 1.30 H new ATOM 1001 N VAL A 66 2.574 -25.261 9.669 1.00 52.41 N ATOM 1002 CA VAL A 66 1.775 -26.372 10.182 1.00 10.01 C ATOM 1003 C VAL A 66 1.217 -27.238 9.046 1.00 22.33 C ATOM 1004 O VAL A 66 1.135 -28.466 9.170 1.00 54.21 O ATOM 1005 CB VAL A 66 0.608 -25.858 11.074 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.332 -24.947 10.285 1.00 35.32 C ATOM 1007 CG2 VAL A 66 -0.156 -27.026 11.700 1.00 25.14 C ATOM 0 H VAL A 66 2.280 -24.346 10.010 1.00 52.41 H new ATOM 0 HA VAL A 66 2.439 -26.988 10.789 1.00 10.01 H new ATOM 0 HB VAL A 66 1.041 -25.267 11.881 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.137 -24.604 10.935 1.00 35.32 H new ATOM 0 HG12 VAL A 66 0.224 -24.087 9.911 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.754 -25.499 9.445 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.966 -26.641 12.319 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.569 -27.655 10.911 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.522 -27.616 12.317 1.00 25.14 H new ATOM 1017 N LEU A 67 0.862 -26.601 7.933 1.00 55.10 N ATOM 1018 CA LEU A 67 0.276 -27.309 6.802 1.00 53.21 C ATOM 1019 C LEU A 67 1.210 -28.405 6.289 1.00 52.34 C ATOM 1020 O LEU A 67 0.764 -29.520 6.010 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.082 -26.341 5.662 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.379 -25.538 5.840 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.458 -26.371 6.529 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.119 -24.237 6.583 1.00 50.24 C ATOM 0 H LEU A 67 0.970 -25.597 7.792 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.642 -27.778 7.156 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.742 -25.639 5.537 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.157 -26.913 4.737 1.00 43.44 H new ATOM 0 HG LEU A 67 -1.751 -25.282 4.848 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.363 -25.774 6.640 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.677 -27.253 5.927 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.105 -26.681 7.513 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.054 -23.689 6.695 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.707 -24.457 7.568 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.409 -23.632 6.019 1.00 50.24 H new ATOM 1036 N ILE A 68 2.503 -28.095 6.195 1.00 31.54 N ATOM 1037 CA ILE A 68 3.488 -29.062 5.710 1.00 2.51 C ATOM 1038 C ILE A 68 3.485 -30.313 6.592 1.00 51.44 C ATOM 1039 O ILE A 68 3.636 -31.437 6.104 1.00 60.32 O ATOM 1040 CB ILE A 68 4.917 -28.461 5.671 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.953 -27.223 4.759 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.935 -29.506 5.204 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.328 -26.595 4.635 1.00 31.33 C ATOM 0 H ILE A 68 2.892 -27.186 6.447 1.00 31.54 H new ATOM 0 HA ILE A 68 3.204 -29.329 4.692 1.00 2.51 H new ATOM 0 HB ILE A 68 5.187 -28.154 6.681 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.601 -27.504 3.766 1.00 32.52 H new ATOM 0 HG13 ILE A 68 4.257 -26.478 5.145 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.930 -29.061 5.185 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.929 -30.352 5.891 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.671 -29.849 4.204 1.00 72.11 H new ATOM 0 HD11 ILE A 68 6.274 -25.728 3.977 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.675 -26.282 5.620 1.00 31.33 H new ATOM 0 HD13 ILE A 68 7.025 -27.323 4.220 1.00 31.33 H new ATOM 1055 N THR A 69 3.283 -30.107 7.891 1.00 24.31 N ATOM 1056 CA THR A 69 3.272 -31.198 8.854 1.00 33.41 C ATOM 1057 C THR A 69 2.043 -32.087 8.641 1.00 42.44 C ATOM 1058 O THR A 69 2.081 -33.293 8.900 1.00 21.42 O ATOM 1059 CB THR A 69 3.288 -30.648 10.300 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.358 -29.698 10.438 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.466 -31.767 11.322 1.00 64.12 C ATOM 0 H THR A 69 3.124 -29.186 8.300 1.00 24.31 H new ATOM 0 HA THR A 69 4.169 -31.798 8.701 1.00 33.41 H new ATOM 0 HB THR A 69 2.329 -30.166 10.490 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.368 -29.347 11.353 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.473 -31.344 12.327 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.643 -32.476 11.232 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.410 -32.281 11.138 1.00 64.12 H new ATOM 1069 N GLN A 70 0.954 -31.486 8.166 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.274 -32.231 7.892 1.00 71.34 C ATOM 1071 C GLN A 70 -0.147 -33.014 6.587 1.00 10.03 C ATOM 1072 O GLN A 70 -0.414 -34.208 6.549 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.491 -31.296 7.823 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.565 -30.293 8.972 1.00 51.21 C ATOM 1075 CD GLN A 70 -2.977 -29.788 9.218 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.718 -30.344 10.025 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.361 -28.742 8.509 1.00 21.40 N ATOM 0 H GLN A 70 0.896 -30.488 7.963 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.425 -32.930 8.714 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.466 -30.751 6.879 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.400 -31.898 7.820 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.187 -30.760 9.881 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -0.914 -29.447 8.753 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.715 -28.308 7.849 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.303 -28.368 8.622 1.00 21.40 H new ATOM 1086 N MET A 71 0.283 -32.324 5.533 1.00 14.01 N ATOM 1087 CA MET A 71 0.384 -32.903 4.187 1.00 13.13 C ATOM 1088 C MET A 71 1.164 -34.218 4.184 1.00 21.22 C ATOM 1089 O MET A 71 0.739 -35.201 3.576 1.00 40.43 O ATOM 1090 CB MET A 71 1.064 -31.905 3.243 1.00 61.13 C ATOM 1091 CG MET A 71 0.214 -30.684 2.892 1.00 14.31 C ATOM 1092 SD MET A 71 1.179 -29.159 2.884 1.00 65.25 S ATOM 1093 CE MET A 71 2.613 -29.656 1.929 1.00 3.01 C ATOM 0 H MET A 71 0.572 -31.347 5.584 1.00 14.01 H new ATOM 0 HA MET A 71 -0.629 -33.115 3.845 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.993 -31.566 3.701 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.333 -32.421 2.322 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.240 -30.829 1.912 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.601 -30.592 3.610 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.979 -28.806 1.353 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.397 -30.002 2.603 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.336 -30.463 1.250 1.00 3.01 H new ATOM 1103 N THR A 72 2.304 -34.224 4.869 1.00 74.35 N ATOM 1104 CA THR A 72 3.183 -35.394 4.914 1.00 54.12 C ATOM 1105 C THR A 72 2.472 -36.591 5.550 1.00 21.40 C ATOM 1106 O THR A 72 2.806 -37.751 5.286 1.00 10.21 O ATOM 1107 CB THR A 72 4.475 -35.074 5.709 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.449 -36.113 5.527 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.180 -34.905 7.197 1.00 32.34 C ATOM 0 H THR A 72 2.645 -33.426 5.405 1.00 74.35 H new ATOM 0 HA THR A 72 3.448 -35.649 3.888 1.00 54.12 H new ATOM 0 HB THR A 72 4.874 -34.135 5.325 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.259 -35.895 6.034 1.00 54.05 H new ATOM 0 HG21 THR A 72 5.105 -34.681 7.728 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.474 -34.086 7.337 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.750 -35.826 7.590 1.00 32.34 H new ATOM 1117 N ASP A 73 1.481 -36.296 6.379 1.00 14.31 N ATOM 1118 CA ASP A 73 0.765 -37.315 7.136 1.00 73.20 C ATOM 1119 C ASP A 73 -0.494 -37.742 6.393 1.00 63.12 C ATOM 1120 O ASP A 73 -0.772 -38.932 6.241 1.00 62.50 O ATOM 1121 CB ASP A 73 0.398 -36.751 8.511 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.214 -37.796 9.432 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.549 -38.471 10.155 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.457 -37.946 9.439 1.00 73.12 O ATOM 0 H ASP A 73 1.150 -35.346 6.546 1.00 14.31 H new ATOM 0 HA ASP A 73 1.404 -38.190 7.257 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.291 -36.339 8.980 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.305 -35.928 8.385 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.241 -36.748 5.930 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.498 -36.951 5.224 1.00 13.52 C ATOM 1131 C GLU A 74 -2.683 -35.837 4.196 1.00 52.34 C ATOM 1132 O GLU A 74 -2.739 -34.659 4.563 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.668 -36.933 6.218 1.00 65.33 C ATOM 1134 CG GLU A 74 -5.044 -37.027 5.562 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.175 -36.706 6.524 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.362 -35.514 6.846 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.885 -37.634 6.962 1.00 64.11 O ATOM 0 H GLU A 74 -0.987 -35.766 6.036 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.476 -37.917 4.720 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.552 -37.763 6.915 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.619 -36.016 6.804 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -5.086 -36.341 4.716 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -5.185 -38.032 5.165 1.00 22.12 H new ATOM 1144 N MET A 75 -2.769 -36.197 2.919 1.00 3.01 N ATOM 1145 CA MET A 75 -2.977 -35.204 1.870 1.00 44.15 C ATOM 1146 C MET A 75 -4.463 -34.853 1.786 1.00 2.42 C ATOM 1147 O MET A 75 -5.320 -35.684 2.090 1.00 23.31 O ATOM 1148 CB MET A 75 -2.426 -35.693 0.516 1.00 64.55 C ATOM 1149 CG MET A 75 -3.186 -36.850 -0.124 1.00 34.12 C ATOM 1150 SD MET A 75 -4.802 -36.376 -0.777 1.00 53.33 S ATOM 1151 CE MET A 75 -4.320 -35.283 -2.115 1.00 73.05 C ATOM 0 H MET A 75 -2.699 -37.159 2.587 1.00 3.01 H new ATOM 0 HA MET A 75 -2.422 -34.300 2.122 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.424 -34.854 -0.180 1.00 64.55 H new ATOM 0 HB3 MET A 75 -1.388 -35.995 0.654 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.585 -37.267 -0.932 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.319 -37.640 0.615 1.00 34.12 H new ATOM 0 HE1 MET A 75 -5.075 -35.314 -2.900 1.00 73.05 H new ATOM 0 HE2 MET A 75 -4.231 -34.264 -1.738 1.00 73.05 H new ATOM 0 HE3 MET A 75 -3.361 -35.605 -2.521 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.783 -33.614 1.381 1.00 3.41 N ATOM 1162 CA PRO A 76 -6.156 -33.101 1.432 1.00 54.22 C ATOM 1163 C PRO A 76 -7.059 -33.710 0.345 1.00 61.51 C ATOM 1164 O PRO A 76 -7.718 -34.724 0.578 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.947 -31.590 1.255 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.719 -31.479 0.412 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.834 -32.624 0.831 1.00 32.14 C ATOM 0 HA PRO A 76 -6.678 -33.358 2.354 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.805 -31.125 0.770 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.815 -31.092 2.216 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.965 -31.541 -0.648 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.222 -30.522 0.568 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -3.276 -33.029 -0.013 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.102 -32.313 1.577 1.00 32.14 H new ATOM 1175 N ARG A 77 -7.080 -33.098 -0.840 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.801 -33.633 -1.993 1.00 24.23 C ATOM 1177 C ARG A 77 -7.135 -33.171 -3.275 1.00 64.03 C ATOM 1178 O ARG A 77 -6.571 -32.079 -3.319 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.263 -33.172 -2.031 1.00 34.31 C ATOM 1180 CG ARG A 77 -10.240 -34.005 -1.215 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.671 -33.602 -1.543 1.00 35.21 C ATOM 1182 NE ARG A 77 -12.664 -34.367 -0.795 1.00 33.43 N ATOM 1183 CZ ARG A 77 -13.971 -34.336 -1.053 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -14.449 -33.568 -2.027 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -14.804 -35.075 -0.336 1.00 24.22 N ATOM 0 H ARG A 77 -6.598 -32.219 -1.026 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.778 -34.719 -1.902 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.309 -32.142 -1.677 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.596 -33.168 -3.069 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -10.094 -35.064 -1.428 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -10.049 -33.865 -0.151 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.802 -32.541 -1.330 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.845 -33.737 -2.611 1.00 35.21 H new ATOM 0 HE ARG A 77 -12.339 -34.959 -0.031 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -13.814 -32.996 -2.584 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -15.451 -33.550 -2.218 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -14.445 -35.667 0.413 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -15.805 -35.052 -0.533 1.00 24.22 H new ATOM 1199 N GLU A 78 -7.226 -33.987 -4.316 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.739 -33.597 -5.636 1.00 10.22 C ATOM 1201 C GLU A 78 -7.577 -32.433 -6.157 1.00 23.31 C ATOM 1202 O GLU A 78 -7.052 -31.457 -6.698 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.803 -34.779 -6.609 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.880 -35.933 -6.236 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.940 -37.075 -7.238 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.259 -36.995 -8.281 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -6.680 -38.053 -6.993 1.00 24.35 O ATOM 0 H GLU A 78 -7.631 -34.922 -4.274 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.697 -33.286 -5.555 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.828 -35.146 -6.653 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -6.546 -34.429 -7.609 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.856 -35.567 -6.168 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -6.151 -36.306 -5.248 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.886 -32.551 -5.951 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.841 -31.509 -6.307 1.00 62.11 C ATOM 1216 C GLU A 79 -9.462 -30.181 -5.656 1.00 42.33 C ATOM 1217 O GLU A 79 -9.442 -29.142 -6.311 1.00 30.53 O ATOM 1218 CB GLU A 79 -11.244 -31.944 -5.866 1.00 33.44 C ATOM 1219 CG GLU A 79 -12.313 -30.861 -5.969 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.694 -31.371 -5.589 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.867 -31.861 -4.449 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -14.618 -31.286 -6.424 1.00 35.41 O ATOM 0 H GLU A 79 -9.314 -33.376 -5.531 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.828 -31.364 -7.387 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.551 -32.797 -6.471 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.194 -32.288 -4.833 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -12.045 -30.027 -5.320 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -12.339 -30.476 -6.988 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.136 -30.230 -4.367 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.790 -29.028 -3.613 1.00 23.21 C ATOM 1231 C ASP A 80 -7.451 -28.463 -4.081 1.00 50.24 C ATOM 1232 O ASP A 80 -7.289 -27.250 -4.198 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.750 -29.318 -2.104 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.140 -29.449 -1.496 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.804 -30.479 -1.728 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.575 -28.524 -0.777 1.00 72.24 O ATOM 0 H ASP A 80 -9.104 -31.091 -3.822 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.564 -28.283 -3.798 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.193 -30.238 -1.929 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.210 -28.518 -1.598 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.500 -29.353 -4.365 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.184 -28.943 -4.854 1.00 75.11 C ATOM 1243 C ILE A 81 -5.315 -28.174 -6.169 1.00 23.01 C ATOM 1244 O ILE A 81 -4.779 -27.066 -6.317 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.244 -30.170 -5.038 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.918 -30.799 -3.667 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.958 -29.783 -5.772 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.093 -32.071 -3.745 1.00 11.21 C ATOM 0 H ILE A 81 -6.616 -30.361 -4.265 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.741 -28.286 -4.106 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.764 -30.906 -5.651 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.381 -30.068 -3.063 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.852 -31.016 -3.149 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.324 -30.663 -5.884 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.206 -29.387 -6.757 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.426 -29.023 -5.199 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.909 -32.447 -2.739 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.635 -32.822 -4.320 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.142 -31.858 -4.233 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.058 -28.739 -7.114 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.231 -28.096 -8.408 1.00 13.24 C ATOM 1262 C GLU A 82 -7.127 -26.868 -8.275 1.00 5.44 C ATOM 1263 O GLU A 82 -6.924 -25.865 -8.961 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.787 -29.067 -9.460 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.234 -29.489 -9.246 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.752 -30.336 -10.397 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.935 -29.789 -11.507 1.00 14.40 O ATOM 1268 OE2 GLU A 82 -8.959 -31.550 -10.208 1.00 2.33 O ATOM 0 H GLU A 82 -6.544 -29.630 -7.010 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.248 -27.777 -8.753 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.701 -28.602 -10.442 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -6.162 -29.960 -9.474 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.315 -30.052 -8.316 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.859 -28.602 -9.137 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.100 -26.938 -7.366 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.017 -25.825 -7.138 1.00 64.02 C ATOM 1277 C ARG A 83 -8.273 -24.623 -6.566 1.00 23.45 C ATOM 1278 O ARG A 83 -8.525 -23.484 -6.959 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.171 -26.236 -6.210 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.165 -25.112 -5.926 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.433 -25.627 -5.258 1.00 70.23 C ATOM 1282 NE ARG A 83 -12.159 -26.326 -4.000 1.00 52.13 N ATOM 1283 CZ ARG A 83 -12.966 -27.240 -3.466 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -14.098 -27.575 -4.078 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -12.646 -27.822 -2.321 1.00 32.14 N ATOM 0 H ARG A 83 -8.272 -27.753 -6.777 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.444 -25.542 -8.100 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.704 -27.075 -6.658 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.757 -26.589 -5.266 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.695 -24.366 -5.285 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.424 -24.613 -6.860 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -13.105 -24.790 -5.066 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.951 -26.302 -5.940 1.00 70.23 H new ATOM 0 HE ARG A 83 -11.298 -26.099 -3.503 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -14.351 -27.131 -4.961 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -14.713 -28.276 -3.665 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -11.779 -27.570 -1.846 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -13.266 -28.522 -1.914 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.342 -24.875 -5.654 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.581 -23.790 -5.055 1.00 41.51 C ATOM 1301 C VAL A 84 -5.573 -23.227 -6.062 1.00 42.42 C ATOM 1302 O VAL A 84 -5.507 -22.017 -6.259 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.870 -24.213 -3.735 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.742 -25.210 -3.982 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.364 -22.984 -2.979 1.00 65.02 C ATOM 0 H VAL A 84 -7.099 -25.807 -5.318 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.292 -23.008 -4.788 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.609 -24.721 -3.115 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.276 -25.475 -3.033 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.146 -26.107 -4.451 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.997 -24.761 -4.639 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.870 -23.300 -2.060 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.655 -22.439 -3.603 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.205 -22.335 -2.735 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.816 -24.103 -6.734 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.813 -23.654 -7.705 1.00 63.21 C ATOM 1317 C ARG A 85 -4.457 -22.809 -8.816 1.00 31.04 C ATOM 1318 O ARG A 85 -3.938 -21.755 -9.176 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.034 -24.842 -8.300 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.816 -25.693 -9.298 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.024 -26.916 -9.757 1.00 12.03 C ATOM 1322 NE ARG A 85 -1.784 -26.559 -10.456 1.00 64.53 N ATOM 1323 CZ ARG A 85 -0.798 -27.425 -10.726 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -0.922 -28.708 -10.396 1.00 14.52 N ATOM 1325 NH2 ARG A 85 0.299 -27.016 -11.352 1.00 44.23 N ATOM 0 H ARG A 85 -4.878 -25.115 -6.625 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.101 -23.024 -7.172 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.140 -24.460 -8.793 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.699 -25.482 -7.484 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.751 -26.018 -8.842 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.078 -25.086 -10.164 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.783 -27.533 -8.892 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.647 -27.520 -10.417 1.00 12.03 H new ATOM 0 HE ARG A 85 -1.665 -25.591 -10.755 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.771 -29.036 -9.935 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -0.168 -29.363 -10.604 1.00 14.52 H new ATOM 0 HH21 ARG A 85 0.394 -26.039 -11.629 1.00 44.23 H new ATOM 0 HH22 ARG A 85 1.047 -27.679 -11.556 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.603 -23.260 -9.336 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.300 -22.532 -10.404 1.00 61.13 C ATOM 1341 C ARG A 86 -6.831 -21.199 -9.873 1.00 43.24 C ATOM 1342 O ARG A 86 -6.813 -20.182 -10.568 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.455 -23.376 -10.977 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.627 -23.566 -10.016 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.587 -24.661 -10.477 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.103 -24.439 -11.828 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.815 -25.340 -12.512 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.118 -26.512 -11.958 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.229 -25.059 -13.741 1.00 54.51 N ATOM 0 H ARG A 86 -6.066 -24.119 -9.038 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.589 -22.335 -11.207 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.820 -22.902 -11.888 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.069 -24.355 -11.260 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.245 -23.815 -9.026 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.171 -22.626 -9.921 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.075 -25.623 -10.443 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.423 -24.720 -9.780 1.00 34.11 H new ATOM 0 HE ARG A 86 -9.908 -23.543 -12.275 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.807 -26.724 -11.010 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.661 -27.198 -12.482 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -11.004 -24.157 -14.161 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -11.772 -25.745 -14.265 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.286 -21.217 -8.623 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.784 -20.024 -7.947 1.00 5.31 C ATOM 1365 C HIS A 87 -6.652 -19.009 -7.787 1.00 35.45 C ATOM 1366 O HIS A 87 -6.842 -17.807 -7.965 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.364 -20.436 -6.580 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.889 -19.314 -5.722 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -9.334 -19.514 -4.429 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -9.045 -17.991 -5.964 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -9.740 -18.367 -3.922 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.575 -17.429 -4.831 1.00 10.01 N ATOM 0 H HIS A 87 -7.320 -22.060 -8.050 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.571 -19.554 -8.537 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.173 -21.147 -6.750 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.589 -20.962 -6.022 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -8.798 -17.474 -6.880 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -10.140 -18.221 -2.929 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.805 -16.442 -4.712 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.474 -19.514 -7.461 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.289 -18.685 -7.258 1.00 61.31 C ATOM 1383 C LEU A 88 -3.724 -18.182 -8.589 1.00 10.22 C ATOM 1384 O LEU A 88 -3.153 -17.083 -8.661 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.239 -19.486 -6.474 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.414 -19.483 -4.938 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.865 -18.192 -4.336 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.885 -19.651 -4.540 1.00 1.22 C ATOM 0 H LEU A 88 -5.308 -20.512 -7.328 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.569 -17.804 -6.681 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.259 -20.518 -6.823 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.252 -19.089 -6.711 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.852 -20.331 -4.546 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.998 -18.210 -3.254 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.804 -18.104 -4.570 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.401 -17.339 -4.753 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.971 -19.644 -3.453 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.470 -18.831 -4.955 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.261 -20.598 -4.928 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.912 -18.979 -9.638 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.453 -18.624 -10.978 1.00 61.34 C ATOM 1402 C ALA A 89 -4.098 -17.317 -11.447 1.00 73.12 C ATOM 1403 O ALA A 89 -3.552 -16.614 -12.297 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.757 -19.753 -11.959 1.00 24.15 C ATOM 0 H ALA A 89 -4.383 -19.882 -9.584 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.374 -18.475 -10.942 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.409 -19.474 -12.954 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.247 -20.661 -11.638 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.832 -19.931 -11.987 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.262 -17.000 -10.879 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.963 -15.754 -11.190 1.00 63.34 C ATOM 1412 C LEU A 90 -5.117 -14.547 -10.778 1.00 72.14 C ATOM 1413 O LEU A 90 -5.050 -13.545 -11.494 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.327 -15.719 -10.483 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.290 -16.861 -10.855 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.602 -16.740 -10.082 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.550 -16.885 -12.362 1.00 12.44 C ATOM 0 H LEU A 90 -5.740 -17.591 -10.199 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.128 -15.708 -12.266 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.160 -15.743 -9.406 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.811 -14.769 -10.710 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.818 -17.803 -10.577 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.266 -17.558 -10.362 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.400 -16.787 -9.012 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.078 -15.789 -10.320 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.233 -17.700 -12.600 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.994 -15.938 -12.670 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.609 -17.034 -12.891 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.469 -14.658 -9.617 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.560 -13.615 -9.141 1.00 44.25 C ATOM 1431 C GLN A 91 -2.228 -13.714 -9.877 1.00 0.14 C ATOM 1432 O GLN A 91 -1.555 -12.708 -10.113 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.329 -13.723 -7.620 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.547 -13.376 -6.764 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.686 -14.377 -6.885 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.855 -14.017 -6.766 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.356 -15.644 -7.090 1.00 3.21 N ATOM 0 H GLN A 91 -4.557 -15.458 -8.990 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.019 -12.647 -9.344 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.014 -14.740 -7.385 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.507 -13.063 -7.343 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.240 -13.313 -5.720 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.911 -12.389 -7.049 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.375 -15.907 -7.184 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.083 -16.356 -7.154 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.849 -14.941 -10.222 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.640 -15.166 -10.994 1.00 34.23 C ATOM 1448 C GLY A 92 -0.004 -16.500 -10.670 1.00 75.14 C ATOM 1449 O GLY A 92 -0.556 -17.277 -9.887 1.00 41.34 O ATOM 0 H GLY A 92 -2.362 -15.789 -9.979 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.875 -15.125 -12.057 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.073 -14.366 -10.794 1.00 34.23 H new ATOM 1453 N TRP A 93 1.156 -16.773 -11.261 1.00 61.24 N ATOM 1454 CA TRP A 93 1.871 -18.015 -10.992 1.00 33.44 C ATOM 1455 C TRP A 93 3.378 -17.761 -10.939 1.00 44.25 C ATOM 1456 O TRP A 93 4.085 -17.932 -11.935 1.00 71.23 O ATOM 1457 CB TRP A 93 1.544 -19.078 -12.050 1.00 43.23 C ATOM 1458 CG TRP A 93 1.937 -20.459 -11.621 1.00 30.43 C ATOM 1459 CD1 TRP A 93 3.135 -21.081 -11.822 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.119 -21.385 -10.901 1.00 22.14 C ATOM 1461 NE1 TRP A 93 3.113 -22.335 -11.265 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.884 -22.548 -10.701 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.185 -21.341 -10.408 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.383 -23.658 -10.027 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.682 -22.441 -9.740 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.101 -23.587 -9.556 1.00 55.20 C ATOM 0 H TRP A 93 1.619 -16.153 -11.926 1.00 61.24 H new ATOM 0 HA TRP A 93 1.545 -18.391 -10.022 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.475 -19.058 -12.261 1.00 43.23 H new ATOM 0 HB3 TRP A 93 2.057 -18.830 -12.979 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.977 -20.650 -12.343 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.886 -23.000 -11.270 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.795 -20.461 -10.547 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.985 -24.543 -9.881 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.690 -22.418 -9.353 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.316 -24.433 -9.031 1.00 55.20 H new ATOM 1477 N PRO A 94 3.884 -17.313 -9.775 1.00 44.24 N ATOM 1478 CA PRO A 94 5.316 -17.064 -9.575 1.00 44.31 C ATOM 1479 C PRO A 94 6.101 -18.359 -9.351 1.00 13.14 C ATOM 1480 O PRO A 94 7.315 -18.399 -9.535 1.00 65.31 O ATOM 1481 CB PRO A 94 5.366 -16.179 -8.309 1.00 70.01 C ATOM 1482 CG PRO A 94 3.938 -15.903 -7.935 1.00 24.04 C ATOM 1483 CD PRO A 94 3.108 -16.987 -8.569 1.00 52.13 C ATOM 0 HA PRO A 94 5.770 -16.597 -10.449 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.889 -16.687 -7.499 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.904 -15.251 -8.503 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.814 -15.904 -6.852 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.628 -14.920 -8.290 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.996 -17.850 -7.912 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.104 -16.640 -8.813 1.00 52.13 H new ATOM 1491 N LEU A 95 5.388 -19.426 -8.993 1.00 20.13 N ATOM 1492 CA LEU A 95 6.016 -20.688 -8.590 1.00 2.45 C ATOM 1493 C LEU A 95 6.700 -21.389 -9.766 1.00 23.05 C ATOM 1494 O LEU A 95 7.270 -22.472 -9.610 1.00 42.11 O ATOM 1495 CB LEU A 95 4.972 -21.631 -7.974 1.00 12.24 C ATOM 1496 CG LEU A 95 5.486 -22.516 -6.824 1.00 45.14 C ATOM 1497 CD1 LEU A 95 5.822 -21.667 -5.602 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.465 -23.594 -6.478 1.00 44.11 C ATOM 0 H LEU A 95 4.368 -19.443 -8.973 1.00 20.13 H new ATOM 0 HA LEU A 95 6.778 -20.444 -7.850 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.138 -21.033 -7.606 1.00 12.24 H new ATOM 0 HB3 LEU A 95 4.580 -22.276 -8.760 1.00 12.24 H new ATOM 0 HG LEU A 95 6.400 -23.011 -7.152 1.00 45.14 H new ATOM 0 HD11 LEU A 95 6.184 -22.311 -4.800 1.00 71.12 H new ATOM 0 HD12 LEU A 95 6.594 -20.944 -5.863 1.00 71.12 H new ATOM 0 HD13 LEU A 95 4.928 -21.139 -5.269 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.847 -24.209 -5.663 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.530 -23.125 -6.171 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.287 -24.220 -7.352 1.00 44.11 H new