USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 815 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 58 ASN : amide:sc= -1.83 K(o=-1.8,f=-5.2!) USER MOD Set 1.2: A 59 SER OG : rot 76:sc= 0.0241 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -43:sc= 1.04 USER MOD Single : A 9 THR OG1 : rot 74:sc= 0.503 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.5) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000898 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= -1.04 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.015) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -109:sc= -0.919 (180deg=-4.59!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -128:sc= 0.384 USER MOD Single : A 95 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.58) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 109 ASN : amide:sc=-0.00237 X(o=-0.0024,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.452 -1.385 -0.207 1.00 64.52 N ATOM 2 CA MET A 1 3.154 -1.411 -1.485 1.00 45.52 C ATOM 3 C MET A 1 2.251 -1.946 -2.591 1.00 53.45 C ATOM 4 O MET A 1 2.518 -3.000 -3.168 1.00 64.04 O ATOM 5 CB MET A 1 4.416 -2.269 -1.381 1.00 64.25 C ATOM 6 CG MET A 1 5.550 -1.595 -0.625 1.00 74.22 C ATOM 7 SD MET A 1 6.257 -2.652 0.653 1.00 60.21 S ATOM 8 CE MET A 1 6.393 -1.494 2.013 1.00 71.42 C ATOM 0 H1 MET A 1 3.087 -1.017 0.530 1.00 64.52 H new ATOM 0 H2 MET A 1 1.616 -0.771 -0.282 1.00 64.52 H new ATOM 0 H3 MET A 1 2.152 -2.349 0.044 1.00 64.52 H new ATOM 0 HA MET A 1 3.438 -0.389 -1.735 1.00 45.52 H new ATOM 0 HB2 MET A 1 4.167 -3.207 -0.885 1.00 64.25 H new ATOM 0 HB3 MET A 1 4.758 -2.520 -2.385 1.00 64.25 H new ATOM 0 HG2 MET A 1 6.332 -1.310 -1.329 1.00 74.22 H new ATOM 0 HG3 MET A 1 5.182 -0.676 -0.169 1.00 74.22 H new ATOM 0 HE1 MET A 1 6.816 -2.000 2.881 1.00 71.42 H new ATOM 0 HE2 MET A 1 7.041 -0.667 1.723 1.00 71.42 H new ATOM 0 HE3 MET A 1 5.404 -1.109 2.263 1.00 71.42 H new ATOM 18 N ILE A 2 1.181 -1.213 -2.882 1.00 0.23 N ATOM 19 CA ILE A 2 0.239 -1.614 -3.919 1.00 63.32 C ATOM 20 C ILE A 2 -0.098 -0.445 -4.838 1.00 43.12 C ATOM 21 O ILE A 2 -1.214 0.074 -4.840 1.00 11.25 O ATOM 22 CB ILE A 2 -1.064 -2.168 -3.313 1.00 63.21 C ATOM 23 CG1 ILE A 2 -1.598 -1.216 -2.241 1.00 74.14 C ATOM 24 CG2 ILE A 2 -0.829 -3.554 -2.729 1.00 53.55 C ATOM 25 CD1 ILE A 2 -3.096 -1.013 -2.307 1.00 1.52 C ATOM 0 H ILE A 2 0.945 -0.338 -2.414 1.00 0.23 H new ATOM 0 HA ILE A 2 0.724 -2.400 -4.498 1.00 63.32 H new ATOM 0 HB ILE A 2 -1.810 -2.250 -4.104 1.00 63.21 H new ATOM 0 HG12 ILE A 2 -1.335 -1.605 -1.257 1.00 74.14 H new ATOM 0 HG13 ILE A 2 -1.103 -0.250 -2.345 1.00 74.14 H new ATOM 0 HG21 ILE A 2 -1.759 -3.932 -2.304 1.00 53.55 H new ATOM 0 HG22 ILE A 2 -0.489 -4.227 -3.516 1.00 53.55 H new ATOM 0 HG23 ILE A 2 -0.071 -3.496 -1.948 1.00 53.55 H new ATOM 0 HD11 ILE A 2 -3.405 -0.327 -1.518 1.00 1.52 H new ATOM 0 HD12 ILE A 2 -3.364 -0.595 -3.277 1.00 1.52 H new ATOM 0 HD13 ILE A 2 -3.599 -1.971 -2.173 1.00 1.52 H new ATOM 37 N PRO A 3 0.889 -0.020 -5.641 1.00 61.01 N ATOM 38 CA PRO A 3 0.721 1.091 -6.582 1.00 51.32 C ATOM 39 C PRO A 3 -0.202 0.734 -7.742 1.00 61.23 C ATOM 40 O PRO A 3 -0.218 -0.406 -8.206 1.00 74.23 O ATOM 41 CB PRO A 3 2.143 1.346 -7.089 1.00 32.43 C ATOM 42 CG PRO A 3 2.845 0.043 -6.917 1.00 31.15 C ATOM 43 CD PRO A 3 2.245 -0.592 -5.693 1.00 20.24 C ATOM 0 HA PRO A 3 0.261 1.959 -6.109 1.00 51.32 H new ATOM 0 HB2 PRO A 3 2.141 1.660 -8.133 1.00 32.43 H new ATOM 0 HB3 PRO A 3 2.631 2.137 -6.519 1.00 32.43 H new ATOM 0 HG2 PRO A 3 2.709 -0.592 -7.792 1.00 31.15 H new ATOM 0 HG3 PRO A 3 3.918 0.191 -6.794 1.00 31.15 H new ATOM 0 HD2 PRO A 3 2.220 -1.679 -5.776 1.00 20.24 H new ATOM 0 HD3 PRO A 3 2.816 -0.354 -4.796 1.00 20.24 H new ATOM 51 N SER A 4 -0.968 1.715 -8.207 1.00 14.41 N ATOM 52 CA SER A 4 -1.897 1.503 -9.311 1.00 64.13 C ATOM 53 C SER A 4 -2.846 0.347 -9.009 1.00 2.55 C ATOM 54 O SER A 4 -3.275 -0.371 -9.911 1.00 73.22 O ATOM 55 CB SER A 4 -1.128 1.221 -10.604 1.00 54.40 C ATOM 56 OG SER A 4 -0.813 -0.155 -10.720 1.00 72.34 O ATOM 0 H SER A 4 -0.964 2.665 -7.836 1.00 14.41 H new ATOM 0 HA SER A 4 -2.487 2.411 -9.437 1.00 64.13 H new ATOM 0 HB2 SER A 4 -1.724 1.534 -11.461 1.00 54.40 H new ATOM 0 HB3 SER A 4 -0.211 1.810 -10.621 1.00 54.40 H new ATOM 0 HG SER A 4 -0.495 -0.492 -9.856 1.00 72.34 H new ATOM 62 N PHE A 5 -3.169 0.175 -7.731 1.00 72.02 N ATOM 63 CA PHE A 5 -4.067 -0.893 -7.307 1.00 62.33 C ATOM 64 C PHE A 5 -3.643 -2.230 -7.908 1.00 25.42 C ATOM 65 O PHE A 5 -4.131 -2.631 -8.964 1.00 23.52 O ATOM 66 CB PHE A 5 -5.506 -0.572 -7.716 1.00 43.50 C ATOM 67 CG PHE A 5 -6.141 0.502 -6.880 1.00 5.54 C ATOM 68 CD1 PHE A 5 -5.629 1.790 -6.876 1.00 65.15 C ATOM 69 CD2 PHE A 5 -7.249 0.224 -6.096 1.00 40.41 C ATOM 70 CE1 PHE A 5 -6.210 2.781 -6.108 1.00 75.32 C ATOM 71 CE2 PHE A 5 -7.835 1.211 -5.326 1.00 54.13 C ATOM 72 CZ PHE A 5 -7.315 2.490 -5.331 1.00 42.54 C ATOM 0 H PHE A 5 -2.822 0.761 -6.972 1.00 72.02 H new ATOM 0 HA PHE A 5 -4.014 -0.968 -6.221 1.00 62.33 H new ATOM 0 HB2 PHE A 5 -5.518 -0.263 -8.761 1.00 43.50 H new ATOM 0 HB3 PHE A 5 -6.106 -1.479 -7.645 1.00 43.50 H new ATOM 0 HD1 PHE A 5 -4.765 2.022 -7.481 1.00 65.15 H new ATOM 0 HD2 PHE A 5 -7.659 -0.775 -6.086 1.00 40.41 H new ATOM 0 HE1 PHE A 5 -5.801 3.781 -6.115 1.00 75.32 H new ATOM 0 HE2 PHE A 5 -8.699 0.982 -4.721 1.00 54.13 H new ATOM 0 HZ PHE A 5 -7.771 3.262 -4.729 1.00 42.54 H new ATOM 82 N ALA A 6 -2.730 -2.915 -7.227 1.00 24.14 N ATOM 83 CA ALA A 6 -2.240 -4.207 -7.691 1.00 31.11 C ATOM 84 C ALA A 6 -1.504 -4.070 -9.020 1.00 35.24 C ATOM 85 O ALA A 6 -2.063 -4.299 -10.093 1.00 33.14 O ATOM 86 CB ALA A 6 -3.392 -5.192 -7.822 1.00 55.14 C ATOM 0 H ALA A 6 -2.315 -2.596 -6.352 1.00 24.14 H new ATOM 0 HA ALA A 6 -1.534 -4.587 -6.952 1.00 31.11 H new ATOM 0 HB1 ALA A 6 -3.012 -6.153 -8.169 1.00 55.14 H new ATOM 0 HB2 ALA A 6 -3.872 -5.321 -6.852 1.00 55.14 H new ATOM 0 HB3 ALA A 6 -4.119 -4.809 -8.539 1.00 55.14 H new ATOM 92 N PRO A 7 -0.221 -3.687 -8.950 1.00 21.34 N ATOM 93 CA PRO A 7 0.619 -3.511 -10.138 1.00 74.13 C ATOM 94 C PRO A 7 0.949 -4.836 -10.816 1.00 71.43 C ATOM 95 O PRO A 7 1.399 -5.781 -10.169 1.00 14.11 O ATOM 96 CB PRO A 7 1.889 -2.864 -9.582 1.00 43.54 C ATOM 97 CG PRO A 7 1.940 -3.292 -8.157 1.00 22.15 C ATOM 98 CD PRO A 7 0.510 -3.397 -7.704 1.00 71.45 C ATOM 0 HA PRO A 7 0.122 -2.916 -10.904 1.00 74.13 H new ATOM 0 HB2 PRO A 7 2.773 -3.195 -10.127 1.00 43.54 H new ATOM 0 HB3 PRO A 7 1.850 -1.778 -9.668 1.00 43.54 H new ATOM 0 HG2 PRO A 7 2.453 -4.248 -8.055 1.00 22.15 H new ATOM 0 HG3 PRO A 7 2.489 -2.570 -7.552 1.00 22.15 H new ATOM 0 HD2 PRO A 7 0.379 -4.189 -6.967 1.00 71.45 H new ATOM 0 HD3 PRO A 7 0.166 -2.472 -7.242 1.00 71.45 H new ATOM 106 N GLY A 8 0.723 -4.899 -12.125 1.00 42.02 N ATOM 107 CA GLY A 8 1.003 -6.113 -12.869 1.00 60.20 C ATOM 108 C GLY A 8 -0.254 -6.760 -13.417 1.00 24.45 C ATOM 109 O GLY A 8 -0.264 -7.952 -13.726 1.00 65.34 O ATOM 0 H GLY A 8 0.351 -4.131 -12.683 1.00 42.02 H new ATOM 0 HA2 GLY A 8 1.678 -5.883 -13.693 1.00 60.20 H new ATOM 0 HA3 GLY A 8 1.520 -6.821 -12.221 1.00 60.20 H new ATOM 113 N THR A 9 -1.319 -5.974 -13.535 1.00 70.11 N ATOM 114 CA THR A 9 -2.588 -6.478 -14.046 1.00 4.21 C ATOM 115 C THR A 9 -2.725 -6.207 -15.540 1.00 14.23 C ATOM 116 O THR A 9 -2.473 -5.095 -16.005 1.00 54.42 O ATOM 117 CB THR A 9 -3.782 -5.844 -13.308 1.00 41.53 C ATOM 118 OG1 THR A 9 -3.462 -5.660 -11.925 1.00 22.23 O ATOM 119 CG2 THR A 9 -5.022 -6.716 -13.436 1.00 2.50 C ATOM 0 H THR A 9 -1.328 -4.986 -13.284 1.00 70.11 H new ATOM 0 HA THR A 9 -2.594 -7.554 -13.873 1.00 4.21 H new ATOM 0 HB THR A 9 -3.990 -4.876 -13.764 1.00 41.53 H new ATOM 0 HG1 THR A 9 -2.838 -4.911 -11.831 1.00 22.23 H new ATOM 0 HG21 THR A 9 -5.852 -6.248 -12.907 1.00 2.50 H new ATOM 0 HG22 THR A 9 -5.280 -6.829 -14.489 1.00 2.50 H new ATOM 0 HG23 THR A 9 -4.823 -7.697 -13.004 1.00 2.50 H new ATOM 127 N LEU A 10 -3.127 -7.229 -16.287 1.00 14.11 N ATOM 128 CA LEU A 10 -3.300 -7.101 -17.730 1.00 1.42 C ATOM 129 C LEU A 10 -4.743 -6.750 -18.077 1.00 13.13 C ATOM 130 O LEU A 10 -5.662 -7.527 -17.817 1.00 22.24 O ATOM 131 CB LEU A 10 -2.897 -8.400 -18.429 1.00 44.00 C ATOM 132 CG LEU A 10 -2.646 -8.302 -19.934 1.00 72.43 C ATOM 133 CD1 LEU A 10 -1.852 -9.504 -20.422 1.00 42.13 C ATOM 134 CD2 LEU A 10 -3.963 -8.190 -20.688 1.00 14.21 C ATOM 0 H LEU A 10 -3.339 -8.156 -15.918 1.00 14.11 H new ATOM 0 HA LEU A 10 -2.656 -6.293 -18.078 1.00 1.42 H new ATOM 0 HB2 LEU A 10 -1.992 -8.779 -17.954 1.00 44.00 H new ATOM 0 HB3 LEU A 10 -3.680 -9.139 -18.259 1.00 44.00 H new ATOM 0 HG LEU A 10 -2.061 -7.403 -20.128 1.00 72.43 H new ATOM 0 HD11 LEU A 10 -1.683 -9.417 -21.495 1.00 42.13 H new ATOM 0 HD12 LEU A 10 -0.893 -9.541 -19.905 1.00 42.13 H new ATOM 0 HD13 LEU A 10 -2.410 -10.417 -20.216 1.00 42.13 H new ATOM 0 HD21 LEU A 10 -3.765 -8.121 -21.758 1.00 14.21 H new ATOM 0 HD22 LEU A 10 -4.573 -9.071 -20.488 1.00 14.21 H new ATOM 0 HD23 LEU A 10 -4.496 -7.298 -20.359 1.00 14.21 H new ATOM 146 N VAL A 11 -4.936 -5.575 -18.668 1.00 2.24 N ATOM 147 CA VAL A 11 -6.267 -5.122 -19.054 1.00 21.24 C ATOM 148 C VAL A 11 -6.344 -4.859 -20.553 1.00 54.02 C ATOM 149 O VAL A 11 -5.376 -5.074 -21.282 1.00 41.51 O ATOM 150 CB VAL A 11 -6.665 -3.841 -18.297 1.00 53.13 C ATOM 151 CG1 VAL A 11 -6.963 -4.152 -16.838 1.00 65.35 C ATOM 152 CG2 VAL A 11 -5.571 -2.791 -18.415 1.00 24.33 C ATOM 0 H VAL A 11 -4.187 -4.919 -18.890 1.00 2.24 H new ATOM 0 HA VAL A 11 -6.962 -5.920 -18.792 1.00 21.24 H new ATOM 0 HB VAL A 11 -7.572 -3.440 -18.749 1.00 53.13 H new ATOM 0 HG11 VAL A 11 -7.242 -3.234 -16.320 1.00 65.35 H new ATOM 0 HG12 VAL A 11 -7.784 -4.866 -16.779 1.00 65.35 H new ATOM 0 HG13 VAL A 11 -6.076 -4.578 -16.368 1.00 65.35 H new ATOM 0 HG21 VAL A 11 -5.869 -1.893 -17.874 1.00 24.33 H new ATOM 0 HG22 VAL A 11 -4.646 -3.180 -17.990 1.00 24.33 H new ATOM 0 HG23 VAL A 11 -5.413 -2.547 -19.465 1.00 24.33 H new ATOM 162 N TRP A 12 -7.502 -4.393 -21.007 1.00 51.21 N ATOM 163 CA TRP A 12 -7.706 -4.099 -22.421 1.00 71.42 C ATOM 164 C TRP A 12 -7.961 -2.612 -22.637 1.00 41.23 C ATOM 165 O TRP A 12 -8.760 -1.999 -21.928 1.00 21.13 O ATOM 166 CB TRP A 12 -8.879 -4.915 -22.968 1.00 64.14 C ATOM 167 CG TRP A 12 -8.485 -6.286 -23.429 1.00 1.01 C ATOM 168 CD1 TRP A 12 -7.267 -6.885 -23.273 1.00 53.43 C ATOM 169 CD2 TRP A 12 -9.312 -7.228 -24.122 1.00 4.53 C ATOM 170 NE1 TRP A 12 -7.287 -8.142 -23.828 1.00 13.33 N ATOM 171 CE2 TRP A 12 -8.530 -8.376 -24.354 1.00 30.32 C ATOM 172 CE3 TRP A 12 -10.636 -7.213 -24.567 1.00 31.04 C ATOM 173 CZ2 TRP A 12 -9.031 -9.496 -25.012 1.00 22.41 C ATOM 174 CZ3 TRP A 12 -11.132 -8.325 -25.220 1.00 24.41 C ATOM 175 CH2 TRP A 12 -10.331 -9.455 -25.437 1.00 1.32 C ATOM 0 H TRP A 12 -8.314 -4.211 -20.417 1.00 51.21 H new ATOM 0 HA TRP A 12 -6.798 -4.374 -22.958 1.00 71.42 H new ATOM 0 HB2 TRP A 12 -9.642 -5.005 -22.195 1.00 64.14 H new ATOM 0 HB3 TRP A 12 -9.331 -4.375 -23.800 1.00 64.14 H new ATOM 0 HD1 TRP A 12 -6.414 -6.437 -22.785 1.00 53.43 H new ATOM 0 HE1 TRP A 12 -6.503 -8.795 -23.845 1.00 13.33 H new ATOM 0 HE3 TRP A 12 -11.261 -6.347 -24.404 1.00 31.04 H new ATOM 0 HZ2 TRP A 12 -8.415 -10.367 -25.181 1.00 22.41 H new ATOM 0 HZ3 TRP A 12 -12.154 -8.324 -25.569 1.00 24.41 H new ATOM 0 HH2 TRP A 12 -10.748 -10.309 -25.949 1.00 1.32 H new ATOM 186 N LEU A 13 -7.278 -2.036 -23.620 1.00 52.25 N ATOM 187 CA LEU A 13 -7.431 -0.618 -23.930 1.00 73.42 C ATOM 188 C LEU A 13 -8.025 -0.426 -25.322 1.00 62.20 C ATOM 189 O LEU A 13 -7.397 -0.757 -26.328 1.00 43.30 O ATOM 190 CB LEU A 13 -6.080 0.093 -23.837 1.00 13.03 C ATOM 191 CG LEU A 13 -6.109 1.518 -23.284 1.00 12.34 C ATOM 192 CD1 LEU A 13 -5.184 1.644 -22.083 1.00 32.20 C ATOM 193 CD2 LEU A 13 -5.722 2.518 -24.364 1.00 74.40 C ATOM 0 H LEU A 13 -6.613 -2.528 -24.216 1.00 52.25 H new ATOM 0 HA LEU A 13 -8.114 -0.183 -23.200 1.00 73.42 H new ATOM 0 HB2 LEU A 13 -5.419 -0.505 -23.210 1.00 13.03 H new ATOM 0 HB3 LEU A 13 -5.637 0.120 -24.832 1.00 13.03 H new ATOM 0 HG LEU A 13 -7.126 1.740 -22.959 1.00 12.34 H new ATOM 0 HD11 LEU A 13 -5.218 2.665 -21.703 1.00 32.20 H new ATOM 0 HD12 LEU A 13 -5.506 0.955 -21.302 1.00 32.20 H new ATOM 0 HD13 LEU A 13 -4.164 1.402 -22.382 1.00 32.20 H new ATOM 0 HD21 LEU A 13 -5.748 3.527 -23.952 1.00 74.40 H new ATOM 0 HD22 LEU A 13 -4.716 2.298 -24.720 1.00 74.40 H new ATOM 0 HD23 LEU A 13 -6.425 2.447 -25.194 1.00 74.40 H new ATOM 205 N LYS A 14 -9.238 0.112 -25.373 1.00 15.32 N ATOM 206 CA LYS A 14 -9.917 0.353 -26.641 1.00 20.23 C ATOM 207 C LYS A 14 -9.935 1.841 -26.975 1.00 5.02 C ATOM 208 O LYS A 14 -10.688 2.610 -26.379 1.00 52.44 O ATOM 209 CB LYS A 14 -11.348 -0.186 -26.587 1.00 15.51 C ATOM 210 CG LYS A 14 -11.955 -0.438 -27.956 1.00 54.12 C ATOM 211 CD LYS A 14 -13.179 -1.334 -27.867 1.00 60.42 C ATOM 212 CE LYS A 14 -14.042 -1.224 -29.115 1.00 35.35 C ATOM 213 NZ LYS A 14 -14.990 -2.367 -29.236 1.00 10.33 N ATOM 0 H LYS A 14 -9.772 0.390 -24.550 1.00 15.32 H new ATOM 0 HA LYS A 14 -9.367 -0.170 -27.424 1.00 20.23 H new ATOM 0 HB2 LYS A 14 -11.356 -1.116 -26.019 1.00 15.51 H new ATOM 0 HB3 LYS A 14 -11.974 0.523 -26.046 1.00 15.51 H new ATOM 0 HG2 LYS A 14 -12.231 0.512 -28.413 1.00 54.12 H new ATOM 0 HG3 LYS A 14 -11.211 -0.900 -28.605 1.00 54.12 H new ATOM 0 HD2 LYS A 14 -12.865 -2.369 -27.731 1.00 60.42 H new ATOM 0 HD3 LYS A 14 -13.768 -1.062 -26.991 1.00 60.42 H new ATOM 0 HE2 LYS A 14 -14.602 -0.289 -29.088 1.00 35.35 H new ATOM 0 HE3 LYS A 14 -13.402 -1.188 -29.997 1.00 35.35 H new ATOM 0 HZ1 LYS A 14 -15.560 -2.255 -30.099 1.00 10.33 H new ATOM 0 HZ2 LYS A 14 -14.455 -3.258 -29.287 1.00 10.33 H new ATOM 0 HZ3 LYS A 14 -15.617 -2.387 -28.407 1.00 10.33 H new ATOM 227 N GLN A 15 -9.101 2.238 -27.931 1.00 2.24 N ATOM 228 CA GLN A 15 -9.022 3.634 -28.343 1.00 53.54 C ATOM 229 C GLN A 15 -10.298 4.062 -29.062 1.00 44.30 C ATOM 230 O GLN A 15 -11.114 3.226 -29.449 1.00 33.04 O ATOM 231 CB GLN A 15 -7.812 3.852 -29.254 1.00 34.22 C ATOM 232 CG GLN A 15 -6.655 4.561 -28.569 1.00 32.11 C ATOM 233 CD GLN A 15 -5.565 4.970 -29.539 1.00 42.04 C ATOM 234 OE1 GLN A 15 -4.810 4.131 -30.032 1.00 41.54 O ATOM 235 NE2 GLN A 15 -5.477 6.265 -29.819 1.00 44.14 N ATOM 0 H GLN A 15 -8.471 1.613 -28.434 1.00 2.24 H new ATOM 0 HA GLN A 15 -8.908 4.245 -27.447 1.00 53.54 H new ATOM 0 HB2 GLN A 15 -7.468 2.886 -29.624 1.00 34.22 H new ATOM 0 HB3 GLN A 15 -8.121 4.434 -30.122 1.00 34.22 H new ATOM 0 HG2 GLN A 15 -7.029 5.446 -28.055 1.00 32.11 H new ATOM 0 HG3 GLN A 15 -6.232 3.906 -27.808 1.00 32.11 H new ATOM 0 HE21 GLN A 15 -6.124 6.925 -29.387 1.00 44.14 H new ATOM 0 HE22 GLN A 15 -4.763 6.600 -30.466 1.00 44.14 H new ATOM 244 N ASP A 16 -10.462 5.369 -29.237 1.00 72.31 N ATOM 245 CA ASP A 16 -11.638 5.908 -29.910 1.00 72.11 C ATOM 246 C ASP A 16 -11.688 5.453 -31.366 1.00 5.45 C ATOM 247 O ASP A 16 -12.669 4.855 -31.806 1.00 62.42 O ATOM 248 CB ASP A 16 -11.637 7.436 -29.840 1.00 21.33 C ATOM 249 CG ASP A 16 -12.815 7.980 -29.056 1.00 2.21 C ATOM 250 OD1 ASP A 16 -13.878 8.214 -29.668 1.00 52.11 O ATOM 251 OD2 ASP A 16 -12.674 8.172 -27.830 1.00 63.32 O ATOM 0 H ASP A 16 -9.796 6.074 -28.922 1.00 72.31 H new ATOM 0 HA ASP A 16 -12.523 5.529 -29.399 1.00 72.11 H new ATOM 0 HB2 ASP A 16 -10.709 7.775 -29.379 1.00 21.33 H new ATOM 0 HB3 ASP A 16 -11.658 7.843 -30.851 1.00 21.33 H new ATOM 256 N ARG A 17 -10.623 5.743 -32.107 1.00 13.20 N ATOM 257 CA ARG A 17 -10.546 5.366 -33.513 1.00 54.43 C ATOM 258 C ARG A 17 -9.804 4.044 -33.682 1.00 5.20 C ATOM 259 O ARG A 17 -10.040 3.305 -34.638 1.00 5.11 O ATOM 260 CB ARG A 17 -9.848 6.463 -34.319 1.00 64.35 C ATOM 261 CG ARG A 17 -10.804 7.342 -35.109 1.00 30.33 C ATOM 262 CD ARG A 17 -10.095 8.050 -36.253 1.00 22.44 C ATOM 263 NE ARG A 17 -9.859 9.461 -35.960 1.00 63.15 N ATOM 264 CZ ARG A 17 -9.107 10.252 -36.717 1.00 44.13 C ATOM 265 NH1 ARG A 17 -8.521 9.773 -37.806 1.00 71.20 N ATOM 266 NH2 ARG A 17 -8.939 11.526 -36.386 1.00 12.03 N ATOM 0 H ARG A 17 -9.802 6.237 -31.757 1.00 13.20 H new ATOM 0 HA ARG A 17 -11.562 5.241 -33.886 1.00 54.43 H new ATOM 0 HB2 ARG A 17 -9.270 7.089 -33.639 1.00 64.35 H new ATOM 0 HB3 ARG A 17 -9.140 6.001 -35.007 1.00 64.35 H new ATOM 0 HG2 ARG A 17 -11.617 6.733 -35.505 1.00 30.33 H new ATOM 0 HG3 ARG A 17 -11.253 8.081 -34.445 1.00 30.33 H new ATOM 0 HD2 ARG A 17 -9.143 7.557 -36.451 1.00 22.44 H new ATOM 0 HD3 ARG A 17 -10.694 7.963 -37.160 1.00 22.44 H new ATOM 0 HE ARG A 17 -10.295 9.861 -35.129 1.00 63.15 H new ATOM 0 HH11 ARG A 17 -8.647 8.794 -38.065 1.00 71.20 H new ATOM 0 HH12 ARG A 17 -7.944 10.383 -38.385 1.00 71.20 H new ATOM 0 HH21 ARG A 17 -9.388 11.899 -35.549 1.00 12.03 H new ATOM 0 HH22 ARG A 17 -8.361 12.132 -36.968 1.00 12.03 H new ATOM 280 N PHE A 18 -8.905 3.753 -32.748 1.00 3.05 N ATOM 281 CA PHE A 18 -8.126 2.521 -32.793 1.00 61.03 C ATOM 282 C PHE A 18 -8.867 1.383 -32.097 1.00 43.10 C ATOM 283 O PHE A 18 -9.734 1.600 -31.250 1.00 71.55 O ATOM 284 CB PHE A 18 -6.760 2.732 -32.138 1.00 24.44 C ATOM 285 CG PHE A 18 -5.620 2.744 -33.116 1.00 55.45 C ATOM 286 CD1 PHE A 18 -4.502 1.953 -32.909 1.00 11.54 C ATOM 287 CD2 PHE A 18 -5.668 3.548 -34.244 1.00 60.24 C ATOM 288 CE1 PHE A 18 -3.452 1.963 -33.808 1.00 32.53 C ATOM 289 CE2 PHE A 18 -4.621 3.561 -35.147 1.00 75.20 C ATOM 290 CZ PHE A 18 -3.512 2.768 -34.928 1.00 3.12 C ATOM 0 H PHE A 18 -8.698 4.354 -31.950 1.00 3.05 H new ATOM 0 HA PHE A 18 -7.981 2.250 -33.839 1.00 61.03 H new ATOM 0 HB2 PHE A 18 -6.770 3.676 -31.592 1.00 24.44 H new ATOM 0 HB3 PHE A 18 -6.591 1.942 -31.406 1.00 24.44 H new ATOM 0 HD1 PHE A 18 -4.450 1.321 -32.035 1.00 11.54 H new ATOM 0 HD2 PHE A 18 -6.533 4.171 -34.420 1.00 60.24 H new ATOM 0 HE1 PHE A 18 -2.586 1.342 -33.634 1.00 32.53 H new ATOM 0 HE2 PHE A 18 -4.671 4.191 -36.023 1.00 75.20 H new ATOM 0 HZ PHE A 18 -2.693 2.777 -35.632 1.00 3.12 H new ATOM 300 N PRO A 19 -8.518 0.140 -32.462 1.00 11.33 N ATOM 301 CA PRO A 19 -9.137 -1.057 -31.885 1.00 51.11 C ATOM 302 C PRO A 19 -8.743 -1.269 -30.427 1.00 42.44 C ATOM 303 O PRO A 19 -8.166 -0.383 -29.796 1.00 62.20 O ATOM 304 CB PRO A 19 -8.594 -2.192 -32.756 1.00 45.04 C ATOM 305 CG PRO A 19 -7.304 -1.674 -33.292 1.00 44.21 C ATOM 306 CD PRO A 19 -7.492 -0.192 -33.465 1.00 13.15 C ATOM 0 HA PRO A 19 -10.225 -0.990 -31.878 1.00 51.11 H new ATOM 0 HB2 PRO A 19 -8.444 -3.101 -32.174 1.00 45.04 H new ATOM 0 HB3 PRO A 19 -9.286 -2.439 -33.561 1.00 45.04 H new ATOM 0 HG2 PRO A 19 -6.484 -1.886 -32.606 1.00 44.21 H new ATOM 0 HG3 PRO A 19 -7.057 -2.149 -34.241 1.00 44.21 H new ATOM 0 HD2 PRO A 19 -6.565 0.354 -33.288 1.00 13.15 H new ATOM 0 HD3 PRO A 19 -7.821 0.056 -34.474 1.00 13.15 H new ATOM 314 N TRP A 20 -9.057 -2.446 -29.900 1.00 11.04 N ATOM 315 CA TRP A 20 -8.735 -2.773 -28.515 1.00 65.44 C ATOM 316 C TRP A 20 -7.522 -3.695 -28.442 1.00 42.43 C ATOM 317 O TRP A 20 -7.530 -4.792 -29.001 1.00 12.35 O ATOM 318 CB TRP A 20 -9.934 -3.433 -27.833 1.00 62.51 C ATOM 319 CG TRP A 20 -10.575 -4.504 -28.664 1.00 2.22 C ATOM 320 CD1 TRP A 20 -11.557 -4.338 -29.598 1.00 34.23 C ATOM 321 CD2 TRP A 20 -10.279 -5.904 -28.634 1.00 31.34 C ATOM 322 NE1 TRP A 20 -11.890 -5.552 -30.150 1.00 14.50 N ATOM 323 CE2 TRP A 20 -11.120 -6.528 -29.576 1.00 41.02 C ATOM 324 CE3 TRP A 20 -9.385 -6.692 -27.904 1.00 3.10 C ATOM 325 CZ2 TRP A 20 -11.092 -7.901 -29.805 1.00 24.11 C ATOM 326 CZ3 TRP A 20 -9.358 -8.055 -28.132 1.00 11.41 C ATOM 327 CH2 TRP A 20 -10.206 -8.648 -29.076 1.00 52.03 C ATOM 0 H TRP A 20 -9.534 -3.190 -30.409 1.00 11.04 H new ATOM 0 HA TRP A 20 -8.496 -1.846 -27.995 1.00 65.44 H new ATOM 0 HB2 TRP A 20 -9.612 -3.863 -26.885 1.00 62.51 H new ATOM 0 HB3 TRP A 20 -10.677 -2.670 -27.601 1.00 62.51 H new ATOM 0 HD1 TRP A 20 -12.006 -3.392 -29.864 1.00 34.23 H new ATOM 0 HE1 TRP A 20 -12.596 -5.702 -30.871 1.00 14.50 H new ATOM 0 HE3 TRP A 20 -8.727 -6.244 -27.174 1.00 3.10 H new ATOM 0 HZ2 TRP A 20 -11.746 -8.360 -30.532 1.00 24.11 H new ATOM 0 HZ3 TRP A 20 -8.671 -8.673 -27.573 1.00 11.41 H new ATOM 0 HH2 TRP A 20 -10.160 -9.716 -29.232 1.00 52.03 H new ATOM 338 N TRP A 21 -6.482 -3.242 -27.751 1.00 62.43 N ATOM 339 CA TRP A 21 -5.261 -4.028 -27.606 1.00 13.32 C ATOM 340 C TRP A 21 -4.924 -4.241 -26.134 1.00 63.34 C ATOM 341 O TRP A 21 -5.240 -3.419 -25.275 1.00 10.34 O ATOM 342 CB TRP A 21 -4.096 -3.334 -28.314 1.00 14.34 C ATOM 343 CG TRP A 21 -3.590 -4.089 -29.505 1.00 74.11 C ATOM 344 CD1 TRP A 21 -2.361 -4.666 -29.648 1.00 42.11 C ATOM 345 CD2 TRP A 21 -4.301 -4.347 -30.721 1.00 21.40 C ATOM 346 NE1 TRP A 21 -2.264 -5.267 -30.880 1.00 31.32 N ATOM 347 CE2 TRP A 21 -3.441 -5.087 -31.557 1.00 12.13 C ATOM 348 CE3 TRP A 21 -5.580 -4.028 -31.184 1.00 60.13 C ATOM 349 CZ2 TRP A 21 -3.821 -5.509 -32.828 1.00 30.11 C ATOM 350 CZ3 TRP A 21 -5.955 -4.448 -32.446 1.00 53.43 C ATOM 351 CH2 TRP A 21 -5.079 -5.182 -33.256 1.00 60.30 C ATOM 0 H TRP A 21 -6.459 -2.336 -27.283 1.00 62.43 H new ATOM 0 HA TRP A 21 -5.428 -5.002 -28.066 1.00 13.32 H new ATOM 0 HB2 TRP A 21 -4.413 -2.340 -28.631 1.00 14.34 H new ATOM 0 HB3 TRP A 21 -3.279 -3.198 -27.605 1.00 14.34 H new ATOM 0 HD1 TRP A 21 -1.580 -4.652 -28.902 1.00 42.11 H new ATOM 0 HE1 TRP A 21 -1.448 -5.766 -31.233 1.00 31.32 H new ATOM 0 HE3 TRP A 21 -6.263 -3.463 -30.567 1.00 60.13 H new ATOM 0 HZ2 TRP A 21 -3.147 -6.074 -33.454 1.00 30.11 H new ATOM 0 HZ3 TRP A 21 -6.941 -4.206 -32.814 1.00 53.43 H new ATOM 0 HH2 TRP A 21 -5.403 -5.496 -34.237 1.00 60.30 H new ATOM 362 N PRO A 22 -4.266 -5.371 -25.835 1.00 22.21 N ATOM 363 CA PRO A 22 -3.871 -5.718 -24.467 1.00 25.14 C ATOM 364 C PRO A 22 -2.761 -4.816 -23.937 1.00 41.14 C ATOM 365 O PRO A 22 -1.902 -4.364 -24.693 1.00 41.40 O ATOM 366 CB PRO A 22 -3.372 -7.159 -24.596 1.00 64.42 C ATOM 367 CG PRO A 22 -2.938 -7.284 -26.016 1.00 5.21 C ATOM 368 CD PRO A 22 -3.857 -6.397 -26.809 1.00 43.32 C ATOM 0 HA PRO A 22 -4.695 -5.599 -23.763 1.00 25.14 H new ATOM 0 HB2 PRO A 22 -2.547 -7.355 -23.911 1.00 64.42 H new ATOM 0 HB3 PRO A 22 -4.160 -7.874 -24.359 1.00 64.42 H new ATOM 0 HG2 PRO A 22 -1.899 -6.976 -26.135 1.00 5.21 H new ATOM 0 HG3 PRO A 22 -3.005 -8.318 -26.355 1.00 5.21 H new ATOM 0 HD2 PRO A 22 -3.349 -5.957 -27.667 1.00 43.32 H new ATOM 0 HD3 PRO A 22 -4.714 -6.949 -27.195 1.00 43.32 H new ATOM 376 N GLY A 23 -2.785 -4.558 -22.633 1.00 73.21 N ATOM 377 CA GLY A 23 -1.776 -3.711 -22.025 1.00 63.14 C ATOM 378 C GLY A 23 -1.609 -3.980 -20.543 1.00 31.00 C ATOM 379 O GLY A 23 -2.592 -4.129 -19.817 1.00 55.22 O ATOM 0 H GLY A 23 -3.486 -4.921 -21.987 1.00 73.21 H new ATOM 0 HA2 GLY A 23 -0.822 -3.868 -22.529 1.00 63.14 H new ATOM 0 HA3 GLY A 23 -2.046 -2.666 -22.173 1.00 63.14 H new ATOM 383 N PHE A 24 -0.361 -4.044 -20.092 1.00 21.25 N ATOM 384 CA PHE A 24 -0.069 -4.300 -18.686 1.00 5.01 C ATOM 385 C PHE A 24 -0.106 -3.006 -17.878 1.00 51.24 C ATOM 386 O PHE A 24 0.536 -2.018 -18.237 1.00 33.22 O ATOM 387 CB PHE A 24 1.302 -4.965 -18.541 1.00 33.20 C ATOM 388 CG PHE A 24 1.636 -5.900 -19.668 1.00 24.32 C ATOM 389 CD1 PHE A 24 0.740 -6.881 -20.061 1.00 41.23 C ATOM 390 CD2 PHE A 24 2.848 -5.799 -20.333 1.00 54.01 C ATOM 391 CE1 PHE A 24 1.045 -7.743 -21.098 1.00 53.31 C ATOM 392 CE2 PHE A 24 3.157 -6.658 -21.371 1.00 5.43 C ATOM 393 CZ PHE A 24 2.256 -7.631 -21.753 1.00 34.41 C ATOM 0 H PHE A 24 0.464 -3.922 -20.679 1.00 21.25 H new ATOM 0 HA PHE A 24 -0.835 -4.972 -18.298 1.00 5.01 H new ATOM 0 HB2 PHE A 24 2.068 -4.192 -18.482 1.00 33.20 H new ATOM 0 HB3 PHE A 24 1.332 -5.516 -17.601 1.00 33.20 H new ATOM 0 HD1 PHE A 24 -0.208 -6.973 -19.551 1.00 41.23 H new ATOM 0 HD2 PHE A 24 3.558 -5.041 -20.037 1.00 54.01 H new ATOM 0 HE1 PHE A 24 0.337 -8.503 -21.396 1.00 53.31 H new ATOM 0 HE2 PHE A 24 4.104 -6.568 -21.883 1.00 5.43 H new ATOM 0 HZ PHE A 24 2.497 -8.304 -22.563 1.00 34.41 H new ATOM 403 N VAL A 25 -0.863 -3.019 -16.786 1.00 54.30 N ATOM 404 CA VAL A 25 -0.985 -1.847 -15.926 1.00 74.44 C ATOM 405 C VAL A 25 0.230 -1.704 -15.017 1.00 72.11 C ATOM 406 O VAL A 25 0.500 -2.569 -14.184 1.00 54.11 O ATOM 407 CB VAL A 25 -2.256 -1.917 -15.059 1.00 74.43 C ATOM 408 CG1 VAL A 25 -2.347 -0.705 -14.145 1.00 23.20 C ATOM 409 CG2 VAL A 25 -3.494 -2.027 -15.937 1.00 32.12 C ATOM 0 H VAL A 25 -1.401 -3.828 -16.475 1.00 54.30 H new ATOM 0 HA VAL A 25 -1.049 -0.978 -16.581 1.00 74.44 H new ATOM 0 HB VAL A 25 -2.200 -2.809 -14.435 1.00 74.43 H new ATOM 0 HG11 VAL A 25 -3.251 -0.772 -13.540 1.00 23.20 H new ATOM 0 HG12 VAL A 25 -1.475 -0.676 -13.492 1.00 23.20 H new ATOM 0 HG13 VAL A 25 -2.380 0.203 -14.747 1.00 23.20 H new ATOM 0 HG21 VAL A 25 -4.383 -2.075 -15.308 1.00 32.12 H new ATOM 0 HG22 VAL A 25 -3.557 -1.155 -16.588 1.00 32.12 H new ATOM 0 HG23 VAL A 25 -3.430 -2.930 -16.545 1.00 32.12 H new ATOM 419 N MET A 26 0.960 -0.606 -15.183 1.00 13.14 N ATOM 420 CA MET A 26 2.146 -0.348 -14.375 1.00 22.42 C ATOM 421 C MET A 26 2.173 1.099 -13.895 1.00 4.22 C ATOM 422 O MET A 26 1.802 2.014 -14.630 1.00 60.03 O ATOM 423 CB MET A 26 3.412 -0.656 -15.177 1.00 1.20 C ATOM 424 CG MET A 26 3.423 -2.049 -15.785 1.00 52.12 C ATOM 425 SD MET A 26 5.009 -2.882 -15.585 1.00 43.03 S ATOM 426 CE MET A 26 5.705 -2.683 -17.224 1.00 31.32 C ATOM 0 H MET A 26 0.751 0.119 -15.869 1.00 13.14 H new ATOM 0 HA MET A 26 2.110 -1.000 -13.502 1.00 22.42 H new ATOM 0 HB2 MET A 26 3.515 0.080 -15.974 1.00 1.20 H new ATOM 0 HB3 MET A 26 4.280 -0.546 -14.527 1.00 1.20 H new ATOM 0 HG2 MET A 26 2.641 -2.650 -15.321 1.00 52.12 H new ATOM 0 HG3 MET A 26 3.185 -1.980 -16.846 1.00 52.12 H new ATOM 0 HE1 MET A 26 6.690 -3.148 -17.260 1.00 31.32 H new ATOM 0 HE2 MET A 26 5.053 -3.158 -17.957 1.00 31.32 H new ATOM 0 HE3 MET A 26 5.796 -1.621 -17.454 1.00 31.32 H new ATOM 436 N ASP A 27 2.615 1.299 -12.658 1.00 13.41 N ATOM 437 CA ASP A 27 2.691 2.636 -12.080 1.00 52.32 C ATOM 438 C ASP A 27 4.004 3.316 -12.455 1.00 40.20 C ATOM 439 O ASP A 27 5.057 2.684 -12.540 1.00 72.50 O ATOM 440 CB ASP A 27 2.555 2.566 -10.558 1.00 53.04 C ATOM 441 CG ASP A 27 3.828 2.095 -9.884 1.00 45.44 C ATOM 442 OD1 ASP A 27 3.883 0.916 -9.476 1.00 1.45 O ATOM 443 OD2 ASP A 27 4.771 2.906 -9.766 1.00 61.34 O ATOM 0 H ASP A 27 2.926 0.553 -12.036 1.00 13.41 H new ATOM 0 HA ASP A 27 1.868 3.227 -12.483 1.00 52.32 H new ATOM 0 HB2 ASP A 27 2.287 3.551 -10.174 1.00 53.04 H new ATOM 0 HB3 ASP A 27 1.739 1.891 -10.300 1.00 53.04 H new ATOM 448 N PRO A 28 3.943 4.636 -12.686 1.00 14.00 N ATOM 449 CA PRO A 28 5.118 5.430 -13.056 1.00 54.41 C ATOM 450 C PRO A 28 6.104 5.579 -11.903 1.00 32.04 C ATOM 451 O PRO A 28 7.318 5.559 -12.105 1.00 50.50 O ATOM 452 CB PRO A 28 4.523 6.791 -13.430 1.00 31.52 C ATOM 453 CG PRO A 28 3.241 6.864 -12.674 1.00 70.24 C ATOM 454 CD PRO A 28 2.721 5.455 -12.603 1.00 23.41 C ATOM 0 HA PRO A 28 5.689 4.963 -13.859 1.00 54.41 H new ATOM 0 HB2 PRO A 28 5.193 7.605 -13.154 1.00 31.52 H new ATOM 0 HB3 PRO A 28 4.354 6.868 -14.504 1.00 31.52 H new ATOM 0 HG2 PRO A 28 3.399 7.272 -11.676 1.00 70.24 H new ATOM 0 HG3 PRO A 28 2.528 7.518 -13.176 1.00 70.24 H new ATOM 0 HD2 PRO A 28 2.178 5.273 -11.676 1.00 23.41 H new ATOM 0 HD3 PRO A 28 2.035 5.238 -13.422 1.00 23.41 H new ATOM 462 N ASP A 29 5.574 5.727 -10.693 1.00 63.13 N ATOM 463 CA ASP A 29 6.409 5.877 -9.507 1.00 15.24 C ATOM 464 C ASP A 29 5.551 5.986 -8.250 1.00 11.23 C ATOM 465 O ASP A 29 5.780 6.850 -7.404 1.00 24.22 O ATOM 466 CB ASP A 29 7.302 7.112 -9.638 1.00 71.40 C ATOM 467 CG ASP A 29 8.681 6.894 -9.046 1.00 53.15 C ATOM 468 OD1 ASP A 29 8.823 6.000 -8.186 1.00 2.23 O ATOM 469 OD2 ASP A 29 9.618 7.617 -9.445 1.00 15.12 O ATOM 0 H ASP A 29 4.571 5.746 -10.508 1.00 63.13 H new ATOM 0 HA ASP A 29 7.038 4.991 -9.421 1.00 15.24 H new ATOM 0 HB2 ASP A 29 7.399 7.377 -10.691 1.00 71.40 H new ATOM 0 HB3 ASP A 29 6.825 7.956 -9.140 1.00 71.40 H new ATOM 474 N GLU A 30 4.562 5.105 -8.136 1.00 11.11 N ATOM 475 CA GLU A 30 3.669 5.105 -6.983 1.00 21.40 C ATOM 476 C GLU A 30 2.850 6.391 -6.929 1.00 32.13 C ATOM 477 O GLU A 30 3.092 7.260 -6.091 1.00 22.20 O ATOM 478 CB GLU A 30 4.470 4.942 -5.690 1.00 4.45 C ATOM 479 CG GLU A 30 5.535 3.861 -5.765 1.00 32.35 C ATOM 480 CD GLU A 30 5.911 3.317 -4.400 1.00 32.30 C ATOM 481 OE1 GLU A 30 6.615 4.027 -3.652 1.00 40.22 O ATOM 482 OE2 GLU A 30 5.502 2.181 -4.080 1.00 13.21 O ATOM 0 H GLU A 30 4.359 4.383 -8.827 1.00 11.11 H new ATOM 0 HA GLU A 30 2.984 4.263 -7.086 1.00 21.40 H new ATOM 0 HB2 GLU A 30 4.945 5.892 -5.445 1.00 4.45 H new ATOM 0 HB3 GLU A 30 3.785 4.709 -4.875 1.00 4.45 H new ATOM 0 HG2 GLU A 30 5.175 3.044 -6.391 1.00 32.35 H new ATOM 0 HG3 GLU A 30 6.424 4.265 -6.249 1.00 32.35 H new ATOM 489 N VAL A 31 1.879 6.505 -7.829 1.00 54.31 N ATOM 490 CA VAL A 31 1.022 7.684 -7.884 1.00 45.34 C ATOM 491 C VAL A 31 -0.279 7.454 -7.125 1.00 55.14 C ATOM 492 O VAL A 31 -1.243 8.203 -7.284 1.00 53.44 O ATOM 493 CB VAL A 31 0.695 8.072 -9.339 1.00 34.14 C ATOM 494 CG1 VAL A 31 1.934 8.603 -10.042 1.00 61.03 C ATOM 495 CG2 VAL A 31 0.114 6.883 -10.089 1.00 30.44 C ATOM 0 H VAL A 31 1.666 5.796 -8.530 1.00 54.31 H new ATOM 0 HA VAL A 31 1.573 8.499 -7.414 1.00 45.34 H new ATOM 0 HB VAL A 31 -0.053 8.865 -9.326 1.00 34.14 H new ATOM 0 HG11 VAL A 31 1.683 8.872 -11.068 1.00 61.03 H new ATOM 0 HG12 VAL A 31 2.301 9.484 -9.516 1.00 61.03 H new ATOM 0 HG13 VAL A 31 2.707 7.835 -10.047 1.00 61.03 H new ATOM 0 HG21 VAL A 31 -0.111 7.175 -11.115 1.00 30.44 H new ATOM 0 HG22 VAL A 31 0.837 6.067 -10.094 1.00 30.44 H new ATOM 0 HG23 VAL A 31 -0.801 6.554 -9.596 1.00 30.44 H new ATOM 505 N ARG A 32 -0.300 6.413 -6.299 1.00 54.25 N ATOM 506 CA ARG A 32 -1.485 6.084 -5.516 1.00 23.54 C ATOM 507 C ARG A 32 -1.555 6.936 -4.252 1.00 22.11 C ATOM 508 O ARG A 32 -2.630 7.379 -3.849 1.00 14.10 O ATOM 509 CB ARG A 32 -1.479 4.600 -5.143 1.00 72.22 C ATOM 510 CG ARG A 32 -2.462 4.245 -4.040 1.00 15.12 C ATOM 511 CD ARG A 32 -2.421 2.761 -3.712 1.00 63.33 C ATOM 512 NE ARG A 32 -3.756 2.171 -3.672 1.00 52.24 N ATOM 513 CZ ARG A 32 -4.612 2.357 -2.673 1.00 60.15 C ATOM 514 NH1 ARG A 32 -4.273 3.112 -1.638 1.00 13.32 N ATOM 515 NH2 ARG A 32 -5.810 1.787 -2.710 1.00 24.34 N ATOM 0 H ARG A 32 0.489 5.783 -6.155 1.00 54.25 H new ATOM 0 HA ARG A 32 -2.363 6.296 -6.126 1.00 23.54 H new ATOM 0 HB2 ARG A 32 -1.712 4.010 -6.030 1.00 72.22 H new ATOM 0 HB3 ARG A 32 -0.475 4.317 -4.828 1.00 72.22 H new ATOM 0 HG2 ARG A 32 -2.230 4.823 -3.145 1.00 15.12 H new ATOM 0 HG3 ARG A 32 -3.470 4.523 -4.347 1.00 15.12 H new ATOM 0 HD2 ARG A 32 -1.818 2.242 -4.457 1.00 63.33 H new ATOM 0 HD3 ARG A 32 -1.932 2.616 -2.749 1.00 63.33 H new ATOM 0 HE ARG A 32 -4.047 1.584 -4.454 1.00 52.24 H new ATOM 0 HH11 ARG A 32 -3.353 3.552 -1.607 1.00 13.32 H new ATOM 0 HH12 ARG A 32 -4.932 3.253 -0.872 1.00 13.32 H new ATOM 0 HH21 ARG A 32 -6.074 1.206 -3.506 1.00 24.34 H new ATOM 0 HH22 ARG A 32 -6.467 1.930 -1.943 1.00 24.34 H new ATOM 529 N ASP A 33 -0.402 7.160 -3.631 1.00 41.45 N ATOM 530 CA ASP A 33 -0.332 7.960 -2.414 1.00 21.12 C ATOM 531 C ASP A 33 0.245 9.342 -2.704 1.00 14.23 C ATOM 532 O ASP A 33 -0.109 10.323 -2.048 1.00 23.31 O ATOM 533 CB ASP A 33 0.519 7.249 -1.360 1.00 41.51 C ATOM 534 CG ASP A 33 -0.288 6.842 -0.143 1.00 63.30 C ATOM 535 OD1 ASP A 33 -0.058 5.729 0.376 1.00 72.02 O ATOM 536 OD2 ASP A 33 -1.148 7.636 0.291 1.00 31.31 O ATOM 0 H ASP A 33 0.497 6.799 -3.950 1.00 41.45 H new ATOM 0 HA ASP A 33 -1.345 8.083 -2.030 1.00 21.12 H new ATOM 0 HB2 ASP A 33 0.975 6.364 -1.803 1.00 41.51 H new ATOM 0 HB3 ASP A 33 1.332 7.906 -1.050 1.00 41.51 H new ATOM 541 N ILE A 34 1.134 9.412 -3.689 1.00 13.13 N ATOM 542 CA ILE A 34 1.759 10.674 -4.065 1.00 13.13 C ATOM 543 C ILE A 34 1.196 11.195 -5.383 1.00 13.24 C ATOM 544 O ILE A 34 1.446 10.627 -6.446 1.00 74.41 O ATOM 545 CB ILE A 34 3.287 10.529 -4.194 1.00 15.23 C ATOM 546 CG1 ILE A 34 3.879 9.972 -2.898 1.00 1.34 C ATOM 547 CG2 ILE A 34 3.918 11.870 -4.538 1.00 64.43 C ATOM 548 CD1 ILE A 34 4.106 8.477 -2.931 1.00 5.23 C ATOM 0 H ILE A 34 1.438 8.610 -4.241 1.00 13.13 H new ATOM 0 HA ILE A 34 1.536 11.386 -3.270 1.00 13.13 H new ATOM 0 HB ILE A 34 3.505 9.829 -5.001 1.00 15.23 H new ATOM 0 HG12 ILE A 34 4.827 10.471 -2.697 1.00 1.34 H new ATOM 0 HG13 ILE A 34 3.211 10.212 -2.071 1.00 1.34 H new ATOM 0 HG21 ILE A 34 4.998 11.752 -4.626 1.00 64.43 H new ATOM 0 HG22 ILE A 34 3.514 12.230 -5.484 1.00 64.43 H new ATOM 0 HG23 ILE A 34 3.695 12.590 -3.751 1.00 64.43 H new ATOM 0 HD11 ILE A 34 4.527 8.152 -1.980 1.00 5.23 H new ATOM 0 HD12 ILE A 34 3.157 7.969 -3.100 1.00 5.23 H new ATOM 0 HD13 ILE A 34 4.798 8.232 -3.737 1.00 5.23 H new ATOM 560 N THR A 35 0.435 12.283 -5.306 1.00 74.42 N ATOM 561 CA THR A 35 -0.164 12.882 -6.492 1.00 64.34 C ATOM 562 C THR A 35 0.566 14.159 -6.891 1.00 4.22 C ATOM 563 O THR A 35 0.396 15.205 -6.263 1.00 41.42 O ATOM 564 CB THR A 35 -1.653 13.204 -6.269 1.00 33.34 C ATOM 565 OG1 THR A 35 -2.053 12.786 -4.959 1.00 35.22 O ATOM 566 CG2 THR A 35 -2.519 12.514 -7.313 1.00 4.42 C ATOM 0 H THR A 35 0.219 12.767 -4.434 1.00 74.42 H new ATOM 0 HA THR A 35 -0.075 12.150 -7.294 1.00 64.34 H new ATOM 0 HB THR A 35 -1.787 14.282 -6.364 1.00 33.34 H new ATOM 0 HG1 THR A 35 -3.001 12.996 -4.824 1.00 35.22 H new ATOM 0 HG21 THR A 35 -3.567 12.757 -7.135 1.00 4.42 H new ATOM 0 HG22 THR A 35 -2.232 12.855 -8.307 1.00 4.42 H new ATOM 0 HG23 THR A 35 -2.380 11.435 -7.246 1.00 4.42 H new ATOM 574 N LEU A 36 1.379 14.069 -7.938 1.00 22.54 N ATOM 575 CA LEU A 36 2.135 15.219 -8.421 1.00 25.40 C ATOM 576 C LEU A 36 1.697 15.605 -9.830 1.00 3.31 C ATOM 577 O LEU A 36 1.211 14.780 -10.604 1.00 12.34 O ATOM 578 CB LEU A 36 3.634 14.911 -8.407 1.00 32.11 C ATOM 579 CG LEU A 36 4.066 13.643 -9.145 1.00 13.14 C ATOM 580 CD1 LEU A 36 4.670 13.991 -10.496 1.00 1.41 C ATOM 581 CD2 LEU A 36 5.055 12.848 -8.305 1.00 11.22 C ATOM 0 H LEU A 36 1.531 13.211 -8.469 1.00 22.54 H new ATOM 0 HA LEU A 36 1.937 16.059 -7.755 1.00 25.40 H new ATOM 0 HB2 LEU A 36 4.163 15.759 -8.843 1.00 32.11 H new ATOM 0 HB3 LEU A 36 3.959 14.832 -7.369 1.00 32.11 H new ATOM 0 HG LEU A 36 3.184 13.025 -9.313 1.00 13.14 H new ATOM 0 HD11 LEU A 36 4.971 13.076 -11.006 1.00 1.41 H new ATOM 0 HD12 LEU A 36 3.931 14.517 -11.100 1.00 1.41 H new ATOM 0 HD13 LEU A 36 5.541 14.630 -10.351 1.00 1.41 H new ATOM 0 HD21 LEU A 36 5.352 11.949 -8.846 1.00 11.22 H new ATOM 0 HD22 LEU A 36 5.936 13.458 -8.105 1.00 11.22 H new ATOM 0 HD23 LEU A 36 4.587 12.566 -7.362 1.00 11.22 H new ATOM 593 N PRO A 37 1.875 16.890 -10.174 1.00 31.45 N ATOM 594 CA PRO A 37 1.507 17.414 -11.492 1.00 11.41 C ATOM 595 C PRO A 37 2.416 16.891 -12.599 1.00 32.34 C ATOM 596 O PRO A 37 3.640 16.917 -12.473 1.00 54.41 O ATOM 597 CB PRO A 37 1.677 18.927 -11.331 1.00 52.25 C ATOM 598 CG PRO A 37 2.677 19.082 -10.238 1.00 50.23 C ATOM 599 CD PRO A 37 2.449 17.928 -9.302 1.00 0.13 C ATOM 0 HA PRO A 37 0.501 17.112 -11.784 1.00 11.41 H new ATOM 0 HB2 PRO A 37 2.027 19.387 -12.255 1.00 52.25 H new ATOM 0 HB3 PRO A 37 0.732 19.406 -11.074 1.00 52.25 H new ATOM 0 HG2 PRO A 37 3.693 19.069 -10.633 1.00 50.23 H new ATOM 0 HG3 PRO A 37 2.548 20.034 -9.723 1.00 50.23 H new ATOM 0 HD2 PRO A 37 3.379 17.596 -8.840 1.00 0.13 H new ATOM 0 HD3 PRO A 37 1.769 18.195 -8.493 1.00 0.13 H new ATOM 607 N GLU A 38 1.809 16.416 -13.682 1.00 34.33 N ATOM 608 CA GLU A 38 2.565 15.886 -14.810 1.00 60.40 C ATOM 609 C GLU A 38 1.654 15.646 -16.011 1.00 24.42 C ATOM 610 O GLU A 38 1.765 16.322 -17.032 1.00 71.04 O ATOM 611 CB GLU A 38 3.264 14.582 -14.417 1.00 55.11 C ATOM 612 CG GLU A 38 4.227 14.066 -15.473 1.00 34.52 C ATOM 613 CD GLU A 38 5.193 13.033 -14.926 1.00 1.25 C ATOM 614 OE1 GLU A 38 6.416 13.214 -15.102 1.00 42.31 O ATOM 615 OE2 GLU A 38 4.727 12.045 -14.321 1.00 61.24 O ATOM 0 H GLU A 38 0.796 16.387 -13.802 1.00 34.33 H new ATOM 0 HA GLU A 38 3.318 16.623 -15.088 1.00 60.40 H new ATOM 0 HB2 GLU A 38 3.809 14.738 -13.486 1.00 55.11 H new ATOM 0 HB3 GLU A 38 2.510 13.820 -14.222 1.00 55.11 H new ATOM 0 HG2 GLU A 38 3.659 13.628 -16.294 1.00 34.52 H new ATOM 0 HG3 GLU A 38 4.791 14.903 -15.885 1.00 34.52 H new ATOM 622 N GLY A 39 0.754 14.676 -15.879 1.00 61.01 N ATOM 623 CA GLY A 39 -0.162 14.363 -16.960 1.00 31.40 C ATOM 624 C GLY A 39 -0.265 12.873 -17.219 1.00 61.34 C ATOM 625 O GLY A 39 -1.077 12.432 -18.032 1.00 75.21 O ATOM 0 H GLY A 39 0.643 14.102 -15.043 1.00 61.01 H new ATOM 0 HA2 GLY A 39 -1.150 14.756 -16.720 1.00 31.40 H new ATOM 0 HA3 GLY A 39 0.169 14.865 -17.869 1.00 31.40 H new ATOM 629 N SER A 40 0.562 12.095 -16.528 1.00 63.24 N ATOM 630 CA SER A 40 0.565 10.646 -16.692 1.00 71.12 C ATOM 631 C SER A 40 0.640 9.946 -15.338 1.00 44.34 C ATOM 632 O SER A 40 1.678 9.963 -14.676 1.00 31.32 O ATOM 633 CB SER A 40 1.741 10.213 -17.569 1.00 62.42 C ATOM 634 OG SER A 40 2.811 11.138 -17.482 1.00 15.41 O ATOM 0 H SER A 40 1.239 12.444 -15.849 1.00 63.24 H new ATOM 0 HA SER A 40 -0.367 10.358 -17.179 1.00 71.12 H new ATOM 0 HB2 SER A 40 2.084 9.225 -17.261 1.00 62.42 H new ATOM 0 HB3 SER A 40 1.414 10.128 -18.605 1.00 62.42 H new ATOM 0 HG SER A 40 3.551 10.837 -18.050 1.00 15.41 H new ATOM 640 N ASP A 41 -0.466 9.333 -14.934 1.00 73.54 N ATOM 641 CA ASP A 41 -0.527 8.626 -13.660 1.00 61.44 C ATOM 642 C ASP A 41 -0.486 7.116 -13.874 1.00 61.32 C ATOM 643 O ASP A 41 0.002 6.371 -13.024 1.00 62.23 O ATOM 644 CB ASP A 41 -1.796 9.011 -12.899 1.00 0.12 C ATOM 645 CG ASP A 41 -1.506 9.462 -11.481 1.00 2.13 C ATOM 646 OD1 ASP A 41 -2.207 9.000 -10.556 1.00 4.33 O ATOM 647 OD2 ASP A 41 -0.577 10.276 -11.296 1.00 13.21 O ATOM 0 H ASP A 41 -1.333 9.311 -15.470 1.00 73.54 H new ATOM 0 HA ASP A 41 0.343 8.915 -13.070 1.00 61.44 H new ATOM 0 HB2 ASP A 41 -2.308 9.811 -13.434 1.00 0.12 H new ATOM 0 HB3 ASP A 41 -2.474 8.158 -12.874 1.00 0.12 H new ATOM 652 N VAL A 42 -1.003 6.670 -15.015 1.00 1.40 N ATOM 653 CA VAL A 42 -1.026 5.249 -15.341 1.00 4.51 C ATOM 654 C VAL A 42 -0.170 4.953 -16.568 1.00 13.33 C ATOM 655 O VAL A 42 -0.192 5.699 -17.547 1.00 14.02 O ATOM 656 CB VAL A 42 -2.462 4.755 -15.598 1.00 44.53 C ATOM 657 CG1 VAL A 42 -2.464 3.271 -15.931 1.00 52.32 C ATOM 658 CG2 VAL A 42 -3.347 5.042 -14.395 1.00 21.01 C ATOM 0 H VAL A 42 -1.412 7.273 -15.729 1.00 1.40 H new ATOM 0 HA VAL A 42 -0.617 4.720 -14.480 1.00 4.51 H new ATOM 0 HB VAL A 42 -2.866 5.295 -16.454 1.00 44.53 H new ATOM 0 HG11 VAL A 42 -3.487 2.940 -16.109 1.00 52.32 H new ATOM 0 HG12 VAL A 42 -1.865 3.098 -16.825 1.00 52.32 H new ATOM 0 HG13 VAL A 42 -2.041 2.710 -15.097 1.00 52.32 H new ATOM 0 HG21 VAL A 42 -4.358 4.686 -14.594 1.00 21.01 H new ATOM 0 HG22 VAL A 42 -2.948 4.530 -13.519 1.00 21.01 H new ATOM 0 HG23 VAL A 42 -3.370 6.116 -14.208 1.00 21.01 H new ATOM 668 N TRP A 43 0.582 3.860 -16.508 1.00 13.45 N ATOM 669 CA TRP A 43 1.445 3.465 -17.615 1.00 31.12 C ATOM 670 C TRP A 43 1.017 2.117 -18.184 1.00 31.21 C ATOM 671 O TRP A 43 1.228 1.075 -17.563 1.00 71.33 O ATOM 672 CB TRP A 43 2.902 3.399 -17.154 1.00 71.31 C ATOM 673 CG TRP A 43 3.874 3.881 -18.188 1.00 2.14 C ATOM 674 CD1 TRP A 43 3.691 3.897 -19.541 1.00 0.32 C ATOM 675 CD2 TRP A 43 5.181 4.415 -17.951 1.00 44.12 C ATOM 676 NE1 TRP A 43 4.806 4.409 -20.160 1.00 52.30 N ATOM 677 CE2 TRP A 43 5.734 4.735 -19.207 1.00 11.32 C ATOM 678 CE3 TRP A 43 5.938 4.656 -16.801 1.00 41.04 C ATOM 679 CZ2 TRP A 43 7.007 5.282 -19.342 1.00 24.31 C ATOM 680 CZ3 TRP A 43 7.202 5.198 -16.937 1.00 51.11 C ATOM 681 CH2 TRP A 43 7.726 5.507 -18.199 1.00 61.14 C ATOM 0 H TRP A 43 0.612 3.232 -15.705 1.00 13.45 H new ATOM 0 HA TRP A 43 1.354 4.215 -18.400 1.00 31.12 H new ATOM 0 HB2 TRP A 43 3.017 3.997 -16.250 1.00 71.31 H new ATOM 0 HB3 TRP A 43 3.145 2.370 -16.888 1.00 71.31 H new ATOM 0 HD1 TRP A 43 2.801 3.557 -20.050 1.00 0.32 H new ATOM 0 HE1 TRP A 43 4.923 4.527 -21.166 1.00 52.30 H new ATOM 0 HE3 TRP A 43 5.542 4.423 -15.824 1.00 41.04 H new ATOM 0 HZ2 TRP A 43 7.413 5.520 -20.314 1.00 24.31 H new ATOM 0 HZ3 TRP A 43 7.796 5.387 -16.055 1.00 51.11 H new ATOM 0 HH2 TRP A 43 8.717 5.931 -18.272 1.00 61.14 H new ATOM 692 N VAL A 44 0.415 2.144 -19.369 1.00 34.54 N ATOM 693 CA VAL A 44 -0.042 0.923 -20.022 1.00 22.41 C ATOM 694 C VAL A 44 0.987 0.421 -21.029 1.00 30.52 C ATOM 695 O VAL A 44 1.224 1.054 -22.058 1.00 54.01 O ATOM 696 CB VAL A 44 -1.385 1.140 -20.743 1.00 15.33 C ATOM 697 CG1 VAL A 44 -1.852 -0.148 -21.403 1.00 51.24 C ATOM 698 CG2 VAL A 44 -2.433 1.660 -19.770 1.00 12.10 C ATOM 0 H VAL A 44 0.233 2.998 -19.896 1.00 34.54 H new ATOM 0 HA VAL A 44 -0.175 0.177 -19.239 1.00 22.41 H new ATOM 0 HB VAL A 44 -1.242 1.888 -21.523 1.00 15.33 H new ATOM 0 HG11 VAL A 44 -2.803 0.026 -21.907 1.00 51.24 H new ATOM 0 HG12 VAL A 44 -1.109 -0.474 -22.131 1.00 51.24 H new ATOM 0 HG13 VAL A 44 -1.979 -0.920 -20.644 1.00 51.24 H new ATOM 0 HG21 VAL A 44 -3.376 1.808 -20.296 1.00 12.10 H new ATOM 0 HG22 VAL A 44 -2.575 0.937 -18.967 1.00 12.10 H new ATOM 0 HG23 VAL A 44 -2.100 2.609 -19.349 1.00 12.10 H new ATOM 708 N CYS A 45 1.595 -0.721 -20.725 1.00 40.25 N ATOM 709 CA CYS A 45 2.600 -1.309 -21.604 1.00 52.13 C ATOM 710 C CYS A 45 1.986 -2.396 -22.481 1.00 2.12 C ATOM 711 O CYS A 45 1.819 -3.536 -22.047 1.00 33.33 O ATOM 712 CB CYS A 45 3.750 -1.890 -20.781 1.00 44.41 C ATOM 713 SG CYS A 45 5.012 -2.730 -21.766 1.00 61.33 S ATOM 0 H CYS A 45 1.410 -1.257 -19.877 1.00 40.25 H new ATOM 0 HA CYS A 45 2.987 -0.522 -22.250 1.00 52.13 H new ATOM 0 HB2 CYS A 45 4.221 -1.085 -20.216 1.00 44.41 H new ATOM 0 HB3 CYS A 45 3.343 -2.594 -20.055 1.00 44.41 H new ATOM 0 HG CYS A 45 5.943 -3.185 -20.981 1.00 61.33 H new ATOM 719 N CYS A 46 1.652 -2.035 -23.715 1.00 13.24 N ATOM 720 CA CYS A 46 1.054 -2.979 -24.652 1.00 12.00 C ATOM 721 C CYS A 46 2.094 -3.971 -25.162 1.00 50.24 C ATOM 722 O CYS A 46 3.285 -3.841 -24.876 1.00 51.51 O ATOM 723 CB CYS A 46 0.423 -2.232 -25.828 1.00 45.22 C ATOM 724 SG CYS A 46 -0.954 -1.156 -25.366 1.00 52.22 S ATOM 0 H CYS A 46 1.785 -1.096 -24.090 1.00 13.24 H new ATOM 0 HA CYS A 46 0.277 -3.534 -24.125 1.00 12.00 H new ATOM 0 HB2 CYS A 46 1.190 -1.632 -26.317 1.00 45.22 H new ATOM 0 HB3 CYS A 46 0.072 -2.959 -26.560 1.00 45.22 H new ATOM 0 HG CYS A 46 -1.419 -0.567 -26.427 1.00 52.22 H new ATOM 730 N LEU A 47 1.637 -4.963 -25.918 1.00 53.23 N ATOM 731 CA LEU A 47 2.527 -5.979 -26.468 1.00 64.10 C ATOM 732 C LEU A 47 3.463 -5.376 -27.511 1.00 61.51 C ATOM 733 O LEU A 47 3.202 -4.314 -28.075 1.00 53.22 O ATOM 734 CB LEU A 47 1.714 -7.115 -27.091 1.00 42.13 C ATOM 735 CG LEU A 47 1.511 -7.043 -28.605 1.00 42.21 C ATOM 736 CD1 LEU A 47 0.751 -8.263 -29.101 1.00 20.35 C ATOM 737 CD2 LEU A 47 0.777 -5.765 -28.985 1.00 3.25 C ATOM 0 H LEU A 47 0.655 -5.085 -26.164 1.00 53.23 H new ATOM 0 HA LEU A 47 3.130 -6.378 -25.653 1.00 64.10 H new ATOM 0 HB2 LEU A 47 2.206 -8.059 -26.855 1.00 42.13 H new ATOM 0 HB3 LEU A 47 0.734 -7.138 -26.614 1.00 42.13 H new ATOM 0 HG LEU A 47 2.491 -7.032 -29.083 1.00 42.21 H new ATOM 0 HD11 LEU A 47 0.616 -8.194 -30.180 1.00 20.35 H new ATOM 0 HD12 LEU A 47 1.315 -9.165 -28.863 1.00 20.35 H new ATOM 0 HD13 LEU A 47 -0.224 -8.306 -28.616 1.00 20.35 H new ATOM 0 HD21 LEU A 47 0.641 -5.731 -30.066 1.00 3.25 H new ATOM 0 HD22 LEU A 47 -0.197 -5.746 -28.496 1.00 3.25 H new ATOM 0 HD23 LEU A 47 1.360 -4.902 -28.665 1.00 3.25 H new ATOM 749 N PRO A 48 4.580 -6.071 -27.776 1.00 54.24 N ATOM 750 CA PRO A 48 5.575 -5.625 -28.755 1.00 45.32 C ATOM 751 C PRO A 48 5.061 -5.715 -30.188 1.00 23.41 C ATOM 752 O PRO A 48 4.910 -6.808 -30.735 1.00 44.11 O ATOM 753 CB PRO A 48 6.741 -6.594 -28.543 1.00 33.32 C ATOM 754 CG PRO A 48 6.114 -7.820 -27.974 1.00 24.43 C ATOM 755 CD PRO A 48 4.955 -7.345 -27.142 1.00 24.33 C ATOM 0 HA PRO A 48 5.842 -4.578 -28.615 1.00 45.32 H new ATOM 0 HB2 PRO A 48 7.253 -6.810 -29.481 1.00 33.32 H new ATOM 0 HB3 PRO A 48 7.484 -6.177 -27.863 1.00 33.32 H new ATOM 0 HG2 PRO A 48 5.778 -8.489 -28.766 1.00 24.43 H new ATOM 0 HG3 PRO A 48 6.827 -8.377 -27.367 1.00 24.43 H new ATOM 0 HD2 PRO A 48 4.131 -8.059 -27.156 1.00 24.33 H new ATOM 0 HD3 PRO A 48 5.239 -7.206 -26.099 1.00 24.33 H new ATOM 763 N ARG A 49 4.794 -4.561 -30.790 1.00 64.21 N ATOM 764 CA ARG A 49 4.296 -4.511 -32.159 1.00 64.14 C ATOM 765 C ARG A 49 4.560 -3.144 -32.784 1.00 71.11 C ATOM 766 O ARG A 49 4.818 -3.038 -33.983 1.00 40.22 O ATOM 767 CB ARG A 49 2.798 -4.818 -32.191 1.00 41.03 C ATOM 768 CG ARG A 49 1.938 -3.718 -31.590 1.00 62.23 C ATOM 769 CD ARG A 49 1.493 -2.719 -32.647 1.00 2.13 C ATOM 770 NE ARG A 49 0.096 -2.909 -33.026 1.00 13.03 N ATOM 771 CZ ARG A 49 -0.430 -2.444 -34.154 1.00 3.14 C ATOM 772 NH1 ARG A 49 0.323 -1.766 -35.009 1.00 13.51 N ATOM 773 NH2 ARG A 49 -1.710 -2.658 -34.428 1.00 52.31 N ATOM 0 H ARG A 49 4.914 -3.648 -30.351 1.00 64.21 H new ATOM 0 HA ARG A 49 4.827 -5.265 -32.740 1.00 64.14 H new ATOM 0 HB2 ARG A 49 2.492 -4.984 -33.224 1.00 41.03 H new ATOM 0 HB3 ARG A 49 2.614 -5.747 -31.651 1.00 41.03 H new ATOM 0 HG2 ARG A 49 1.063 -4.159 -31.113 1.00 62.23 H new ATOM 0 HG3 ARG A 49 2.499 -3.200 -30.812 1.00 62.23 H new ATOM 0 HD2 ARG A 49 1.632 -1.706 -32.269 1.00 2.13 H new ATOM 0 HD3 ARG A 49 2.125 -2.819 -33.529 1.00 2.13 H new ATOM 0 HE ARG A 49 -0.510 -3.427 -32.390 1.00 13.03 H new ATOM 0 HH11 ARG A 49 1.308 -1.601 -34.801 1.00 13.51 H new ATOM 0 HH12 ARG A 49 -0.083 -1.410 -35.874 1.00 13.51 H new ATOM 0 HH21 ARG A 49 -2.292 -3.180 -33.772 1.00 52.31 H new ATOM 0 HH22 ARG A 49 -2.113 -2.301 -35.294 1.00 52.31 H new ATOM 787 N ASP A 50 4.492 -2.102 -31.964 1.00 5.34 N ATOM 788 CA ASP A 50 4.724 -0.741 -32.435 1.00 62.20 C ATOM 789 C ASP A 50 6.036 -0.191 -31.883 1.00 54.13 C ATOM 790 O ASP A 50 6.296 1.010 -31.957 1.00 64.22 O ATOM 791 CB ASP A 50 3.564 0.167 -32.027 1.00 15.41 C ATOM 792 CG ASP A 50 2.800 0.703 -33.222 1.00 13.11 C ATOM 793 OD1 ASP A 50 1.555 0.775 -33.147 1.00 50.40 O ATOM 794 OD2 ASP A 50 3.447 1.051 -34.232 1.00 34.34 O ATOM 0 H ASP A 50 4.278 -2.173 -30.969 1.00 5.34 H new ATOM 0 HA ASP A 50 4.790 -0.766 -33.523 1.00 62.20 H new ATOM 0 HB2 ASP A 50 2.882 -0.387 -31.382 1.00 15.41 H new ATOM 0 HB3 ASP A 50 3.949 1.002 -31.441 1.00 15.41 H new ATOM 799 N SER A 51 6.857 -1.077 -31.329 1.00 60.15 N ATOM 800 CA SER A 51 8.139 -0.679 -30.761 1.00 24.44 C ATOM 801 C SER A 51 7.940 0.123 -29.478 1.00 74.42 C ATOM 802 O SER A 51 8.282 1.304 -29.411 1.00 70.10 O ATOM 803 CB SER A 51 8.936 0.146 -31.773 1.00 24.23 C ATOM 804 OG SER A 51 10.326 0.083 -31.501 1.00 33.02 O ATOM 0 H SER A 51 6.657 -2.075 -31.261 1.00 60.15 H new ATOM 0 HA SER A 51 8.698 -1.584 -30.520 1.00 24.44 H new ATOM 0 HB2 SER A 51 8.742 -0.223 -32.780 1.00 24.23 H new ATOM 0 HB3 SER A 51 8.603 1.184 -31.744 1.00 24.23 H new ATOM 0 HG SER A 51 10.813 0.617 -32.163 1.00 33.02 H new ATOM 810 N LEU A 52 7.383 -0.527 -28.462 1.00 71.52 N ATOM 811 CA LEU A 52 7.136 0.124 -27.180 1.00 65.33 C ATOM 812 C LEU A 52 6.107 1.240 -27.325 1.00 72.43 C ATOM 813 O LEU A 52 6.456 2.420 -27.374 1.00 31.41 O ATOM 814 CB LEU A 52 8.440 0.688 -26.614 1.00 24.05 C ATOM 815 CG LEU A 52 9.065 -0.096 -25.459 1.00 65.22 C ATOM 816 CD1 LEU A 52 9.508 -1.474 -25.928 1.00 1.35 C ATOM 817 CD2 LEU A 52 10.239 0.670 -24.867 1.00 42.54 C ATOM 0 H LEU A 52 7.094 -1.504 -28.501 1.00 71.52 H new ATOM 0 HA LEU A 52 6.740 -0.622 -26.491 1.00 65.33 H new ATOM 0 HB2 LEU A 52 9.168 0.747 -27.423 1.00 24.05 H new ATOM 0 HB3 LEU A 52 8.255 1.708 -26.277 1.00 24.05 H new ATOM 0 HG LEU A 52 8.311 -0.223 -24.682 1.00 65.22 H new ATOM 0 HD11 LEU A 52 9.950 -2.018 -25.093 1.00 1.35 H new ATOM 0 HD12 LEU A 52 8.646 -2.025 -26.304 1.00 1.35 H new ATOM 0 HD13 LEU A 52 10.246 -1.368 -26.723 1.00 1.35 H new ATOM 0 HD21 LEU A 52 10.671 0.097 -24.047 1.00 42.54 H new ATOM 0 HD22 LEU A 52 10.995 0.829 -25.636 1.00 42.54 H new ATOM 0 HD23 LEU A 52 9.893 1.634 -24.494 1.00 42.54 H new ATOM 829 N THR A 53 4.835 0.859 -27.392 1.00 54.11 N ATOM 830 CA THR A 53 3.754 1.827 -27.530 1.00 73.23 C ATOM 831 C THR A 53 3.146 2.169 -26.175 1.00 14.20 C ATOM 832 O THR A 53 1.937 2.379 -26.060 1.00 62.42 O ATOM 833 CB THR A 53 2.644 1.301 -28.460 1.00 31.51 C ATOM 834 OG1 THR A 53 3.111 0.155 -29.181 1.00 43.22 O ATOM 835 CG2 THR A 53 2.203 2.378 -29.439 1.00 75.43 C ATOM 0 H THR A 53 4.528 -0.113 -27.353 1.00 54.11 H new ATOM 0 HA THR A 53 4.189 2.726 -27.967 1.00 73.23 H new ATOM 0 HB THR A 53 1.789 1.019 -27.846 1.00 31.51 H new ATOM 0 HG1 THR A 53 2.395 -0.512 -29.234 1.00 43.22 H new ATOM 0 HG21 THR A 53 1.419 1.983 -30.085 1.00 75.43 H new ATOM 0 HG22 THR A 53 1.821 3.237 -28.887 1.00 75.43 H new ATOM 0 HG23 THR A 53 3.053 2.687 -30.047 1.00 75.43 H new ATOM 843 N LEU A 54 3.989 2.225 -25.151 1.00 4.44 N ATOM 844 CA LEU A 54 3.535 2.544 -23.801 1.00 72.34 C ATOM 845 C LEU A 54 2.736 3.843 -23.788 1.00 44.33 C ATOM 846 O LEU A 54 3.226 4.889 -24.216 1.00 21.34 O ATOM 847 CB LEU A 54 4.729 2.656 -22.853 1.00 4.13 C ATOM 848 CG LEU A 54 5.767 1.537 -22.944 1.00 61.34 C ATOM 849 CD1 LEU A 54 7.128 2.100 -23.321 1.00 5.33 C ATOM 850 CD2 LEU A 54 5.848 0.775 -21.629 1.00 51.33 C ATOM 0 H LEU A 54 4.991 2.054 -25.229 1.00 4.44 H new ATOM 0 HA LEU A 54 2.886 1.737 -23.462 1.00 72.34 H new ATOM 0 HB2 LEU A 54 5.230 3.605 -23.043 1.00 4.13 H new ATOM 0 HB3 LEU A 54 4.353 2.693 -21.831 1.00 4.13 H new ATOM 0 HG LEU A 54 5.456 0.842 -23.724 1.00 61.34 H new ATOM 0 HD11 LEU A 54 7.853 1.289 -23.381 1.00 5.33 H new ATOM 0 HD12 LEU A 54 7.060 2.598 -24.288 1.00 5.33 H new ATOM 0 HD13 LEU A 54 7.447 2.817 -22.565 1.00 5.33 H new ATOM 0 HD21 LEU A 54 6.592 -0.017 -21.713 1.00 51.33 H new ATOM 0 HD22 LEU A 54 6.134 1.458 -20.830 1.00 51.33 H new ATOM 0 HD23 LEU A 54 4.876 0.337 -21.402 1.00 51.33 H new ATOM 862 N SER A 55 1.505 3.770 -23.293 1.00 41.40 N ATOM 863 CA SER A 55 0.638 4.941 -23.225 1.00 71.33 C ATOM 864 C SER A 55 0.518 5.445 -21.791 1.00 14.54 C ATOM 865 O SER A 55 0.166 4.692 -20.883 1.00 63.13 O ATOM 866 CB SER A 55 -0.749 4.607 -23.778 1.00 61.14 C ATOM 867 OG SER A 55 -0.985 5.279 -25.004 1.00 24.33 O ATOM 0 H SER A 55 1.085 2.913 -22.933 1.00 41.40 H new ATOM 0 HA SER A 55 1.084 5.729 -23.832 1.00 71.33 H new ATOM 0 HB2 SER A 55 -0.835 3.531 -23.927 1.00 61.14 H new ATOM 0 HB3 SER A 55 -1.511 4.890 -23.052 1.00 61.14 H new ATOM 0 HG SER A 55 -1.877 5.048 -25.337 1.00 24.33 H new ATOM 873 N ALA A 56 0.812 6.726 -21.594 1.00 41.40 N ATOM 874 CA ALA A 56 0.735 7.334 -20.271 1.00 65.41 C ATOM 875 C ALA A 56 -0.365 8.388 -20.214 1.00 23.01 C ATOM 876 O ALA A 56 -0.476 9.231 -21.103 1.00 51.31 O ATOM 877 CB ALA A 56 2.076 7.946 -19.893 1.00 21.10 C ATOM 0 H ALA A 56 1.106 7.363 -22.334 1.00 41.40 H new ATOM 0 HA ALA A 56 0.489 6.552 -19.553 1.00 65.41 H new ATOM 0 HB1 ALA A 56 2.004 8.396 -18.903 1.00 21.10 H new ATOM 0 HB2 ALA A 56 2.841 7.169 -19.884 1.00 21.10 H new ATOM 0 HB3 ALA A 56 2.345 8.711 -20.621 1.00 21.10 H new ATOM 883 N ALA A 57 -1.176 8.334 -19.163 1.00 21.44 N ATOM 884 CA ALA A 57 -2.267 9.285 -18.989 1.00 64.12 C ATOM 885 C ALA A 57 -2.645 9.424 -17.519 1.00 33.24 C ATOM 886 O ALA A 57 -2.659 8.443 -16.776 1.00 45.12 O ATOM 887 CB ALA A 57 -3.475 8.858 -19.809 1.00 61.43 C ATOM 0 H ALA A 57 -1.098 7.641 -18.418 1.00 21.44 H new ATOM 0 HA ALA A 57 -1.927 10.258 -19.343 1.00 64.12 H new ATOM 0 HB1 ALA A 57 -4.282 9.577 -19.670 1.00 61.43 H new ATOM 0 HB2 ALA A 57 -3.203 8.818 -20.864 1.00 61.43 H new ATOM 0 HB3 ALA A 57 -3.807 7.873 -19.482 1.00 61.43 H new ATOM 893 N ASN A 58 -2.952 10.649 -17.105 1.00 31.04 N ATOM 894 CA ASN A 58 -3.330 10.916 -15.722 1.00 1.15 C ATOM 895 C ASN A 58 -4.773 11.405 -15.636 1.00 45.35 C ATOM 896 O ASN A 58 -5.071 12.552 -15.970 1.00 63.02 O ATOM 897 CB ASN A 58 -2.390 11.955 -15.106 1.00 32.22 C ATOM 898 CG ASN A 58 -2.739 12.266 -13.663 1.00 44.41 C ATOM 899 OD1 ASN A 58 -3.635 11.653 -13.083 1.00 5.02 O ATOM 900 ND2 ASN A 58 -2.030 13.224 -13.077 1.00 41.41 N ATOM 0 H ASN A 58 -2.946 11.472 -17.707 1.00 31.04 H new ATOM 0 HA ASN A 58 -3.248 9.984 -15.163 1.00 1.15 H new ATOM 0 HB2 ASN A 58 -1.364 11.590 -15.158 1.00 32.22 H new ATOM 0 HB3 ASN A 58 -2.432 12.872 -15.693 1.00 32.22 H new ATOM 0 HD21 ASN A 58 -2.219 13.478 -12.107 1.00 41.41 H new ATOM 0 HD22 ASN A 58 -1.296 13.706 -13.597 1.00 41.41 H new ATOM 907 N SER A 59 -5.664 10.528 -15.187 1.00 23.51 N ATOM 908 CA SER A 59 -7.076 10.868 -15.061 1.00 1.53 C ATOM 909 C SER A 59 -7.622 11.417 -16.376 1.00 30.44 C ATOM 910 O SER A 59 -8.514 12.265 -16.384 1.00 24.44 O ATOM 911 CB SER A 59 -7.277 11.895 -13.944 1.00 44.24 C ATOM 912 OG SER A 59 -6.872 11.372 -12.691 1.00 74.32 O ATOM 0 H SER A 59 -5.433 9.576 -14.904 1.00 23.51 H new ATOM 0 HA SER A 59 -7.623 9.959 -14.812 1.00 1.53 H new ATOM 0 HB2 SER A 59 -6.706 12.796 -14.167 1.00 44.24 H new ATOM 0 HB3 SER A 59 -8.326 12.186 -13.898 1.00 44.24 H new ATOM 0 HG SER A 59 -5.893 11.365 -12.640 1.00 74.32 H new ATOM 918 N GLU A 60 -7.080 10.925 -17.485 1.00 45.12 N ATOM 919 CA GLU A 60 -7.512 11.366 -18.806 1.00 43.22 C ATOM 920 C GLU A 60 -8.115 10.208 -19.596 1.00 42.32 C ATOM 921 O GLU A 60 -8.966 10.410 -20.462 1.00 53.50 O ATOM 922 CB GLU A 60 -6.335 11.966 -19.578 1.00 43.32 C ATOM 923 CG GLU A 60 -6.384 13.481 -19.682 1.00 51.41 C ATOM 924 CD GLU A 60 -6.601 13.962 -21.104 1.00 32.12 C ATOM 925 OE1 GLU A 60 -5.806 14.804 -21.573 1.00 34.43 O ATOM 926 OE2 GLU A 60 -7.565 13.497 -21.747 1.00 50.02 O ATOM 0 H GLU A 60 -6.342 10.221 -17.495 1.00 45.12 H new ATOM 0 HA GLU A 60 -8.278 12.130 -18.673 1.00 43.22 H new ATOM 0 HB2 GLU A 60 -5.405 11.674 -19.091 1.00 43.32 H new ATOM 0 HB3 GLU A 60 -6.316 11.542 -20.582 1.00 43.32 H new ATOM 0 HG2 GLU A 60 -7.186 13.859 -19.048 1.00 51.41 H new ATOM 0 HG3 GLU A 60 -5.452 13.898 -19.300 1.00 51.41 H new ATOM 933 N ASP A 61 -7.667 8.995 -19.292 1.00 3.44 N ATOM 934 CA ASP A 61 -8.162 7.804 -19.972 1.00 4.21 C ATOM 935 C ASP A 61 -9.447 7.302 -19.322 1.00 71.10 C ATOM 936 O ASP A 61 -9.423 6.751 -18.222 1.00 63.42 O ATOM 937 CB ASP A 61 -7.101 6.702 -19.953 1.00 12.23 C ATOM 938 CG ASP A 61 -7.521 5.481 -20.747 1.00 43.25 C ATOM 939 OD1 ASP A 61 -8.287 4.656 -20.208 1.00 14.03 O ATOM 940 OD2 ASP A 61 -7.083 5.351 -21.910 1.00 1.24 O ATOM 0 H ASP A 61 -6.962 8.811 -18.579 1.00 3.44 H new ATOM 0 HA ASP A 61 -8.380 8.070 -21.006 1.00 4.21 H new ATOM 0 HB2 ASP A 61 -6.168 7.093 -20.359 1.00 12.23 H new ATOM 0 HB3 ASP A 61 -6.902 6.411 -18.922 1.00 12.23 H new ATOM 945 N GLU A 62 -10.568 7.498 -20.010 1.00 23.42 N ATOM 946 CA GLU A 62 -11.863 7.066 -19.498 1.00 21.24 C ATOM 947 C GLU A 62 -12.740 6.524 -20.623 1.00 22.22 C ATOM 948 O GLU A 62 -13.933 6.291 -20.437 1.00 54.11 O ATOM 949 CB GLU A 62 -12.572 8.227 -18.797 1.00 72.25 C ATOM 950 CG GLU A 62 -12.985 9.345 -19.740 1.00 4.23 C ATOM 951 CD GLU A 62 -13.634 10.508 -19.016 1.00 12.35 C ATOM 952 OE1 GLU A 62 -13.188 10.832 -17.895 1.00 0.51 O ATOM 953 OE2 GLU A 62 -14.588 11.094 -19.569 1.00 13.05 O ATOM 0 H GLU A 62 -10.605 7.953 -20.922 1.00 23.42 H new ATOM 0 HA GLU A 62 -11.692 6.266 -18.778 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -13.457 7.847 -18.288 1.00 72.25 H new ATOM 0 HB3 GLU A 62 -11.913 8.634 -18.030 1.00 72.25 H new ATOM 0 HG2 GLU A 62 -12.108 9.702 -20.281 1.00 4.23 H new ATOM 0 HG3 GLU A 62 -13.679 8.951 -20.483 1.00 4.23 H new ATOM 960 N GLY A 63 -12.138 6.326 -21.792 1.00 25.24 N ATOM 961 CA GLY A 63 -12.878 5.814 -22.930 1.00 64.31 C ATOM 962 C GLY A 63 -13.433 4.425 -22.684 1.00 24.13 C ATOM 963 O GLY A 63 -14.439 4.266 -21.994 1.00 31.13 O ATOM 0 H GLY A 63 -11.151 6.511 -21.971 1.00 25.24 H new ATOM 0 HA2 GLY A 63 -13.698 6.494 -23.162 1.00 64.31 H new ATOM 0 HA3 GLY A 63 -12.226 5.792 -23.803 1.00 64.31 H new ATOM 967 N GLN A 64 -12.776 3.418 -23.250 1.00 70.24 N ATOM 968 CA GLN A 64 -13.212 2.036 -23.090 1.00 72.31 C ATOM 969 C GLN A 64 -12.074 1.162 -22.574 1.00 64.13 C ATOM 970 O GLN A 64 -11.000 1.106 -23.175 1.00 10.41 O ATOM 971 CB GLN A 64 -13.731 1.485 -24.419 1.00 55.14 C ATOM 972 CG GLN A 64 -15.235 1.628 -24.591 1.00 51.34 C ATOM 973 CD GLN A 64 -16.015 0.624 -23.766 1.00 72.12 C ATOM 974 OE1 GLN A 64 -16.820 0.996 -22.912 1.00 3.52 O ATOM 975 NE2 GLN A 64 -15.781 -0.659 -24.018 1.00 10.30 N ATOM 0 H GLN A 64 -11.940 3.533 -23.823 1.00 70.24 H new ATOM 0 HA GLN A 64 -14.019 2.019 -22.358 1.00 72.31 H new ATOM 0 HB2 GLN A 64 -13.229 2.001 -25.238 1.00 55.14 H new ATOM 0 HB3 GLN A 64 -13.463 0.431 -24.495 1.00 55.14 H new ATOM 0 HG2 GLN A 64 -15.535 2.637 -24.307 1.00 51.34 H new ATOM 0 HG3 GLN A 64 -15.490 1.504 -25.643 1.00 51.34 H new ATOM 0 HE21 GLN A 64 -15.105 -0.923 -24.735 1.00 10.30 H new ATOM 0 HE22 GLN A 64 -16.277 -1.380 -23.495 1.00 10.30 H new ATOM 984 N ILE A 65 -12.315 0.482 -21.459 1.00 30.14 N ATOM 985 CA ILE A 65 -11.310 -0.390 -20.863 1.00 42.51 C ATOM 986 C ILE A 65 -11.943 -1.662 -20.312 1.00 21.54 C ATOM 987 O ILE A 65 -13.048 -1.634 -19.770 1.00 1.13 O ATOM 988 CB ILE A 65 -10.547 0.323 -19.731 1.00 24.02 C ATOM 989 CG1 ILE A 65 -9.544 -0.633 -19.082 1.00 30.34 C ATOM 990 CG2 ILE A 65 -11.520 0.862 -18.694 1.00 12.53 C ATOM 991 CD1 ILE A 65 -8.244 0.032 -18.685 1.00 73.45 C ATOM 0 H ILE A 65 -13.198 0.518 -20.949 1.00 30.14 H new ATOM 0 HA ILE A 65 -10.608 -0.651 -21.655 1.00 42.51 H new ATOM 0 HB ILE A 65 -9.998 1.163 -20.156 1.00 24.02 H new ATOM 0 HG12 ILE A 65 -9.999 -1.079 -18.198 1.00 30.34 H new ATOM 0 HG13 ILE A 65 -9.330 -1.447 -19.775 1.00 30.34 H new ATOM 0 HG21 ILE A 65 -10.965 1.363 -17.901 1.00 12.53 H new ATOM 0 HG22 ILE A 65 -12.199 1.572 -19.166 1.00 12.53 H new ATOM 0 HG23 ILE A 65 -12.094 0.038 -18.271 1.00 12.53 H new ATOM 0 HD11 ILE A 65 -7.582 -0.705 -18.232 1.00 73.45 H new ATOM 0 HD12 ILE A 65 -7.766 0.454 -19.569 1.00 73.45 H new ATOM 0 HD13 ILE A 65 -8.446 0.827 -17.968 1.00 73.45 H new ATOM 1003 N ARG A 66 -11.234 -2.778 -20.452 1.00 73.01 N ATOM 1004 CA ARG A 66 -11.726 -4.062 -19.967 1.00 55.14 C ATOM 1005 C ARG A 66 -10.726 -4.701 -19.009 1.00 21.01 C ATOM 1006 O ARG A 66 -9.515 -4.541 -19.162 1.00 3.31 O ATOM 1007 CB ARG A 66 -11.998 -5.004 -21.141 1.00 63.45 C ATOM 1008 CG ARG A 66 -13.394 -5.605 -21.130 1.00 62.32 C ATOM 1009 CD ARG A 66 -13.447 -6.876 -20.296 1.00 3.40 C ATOM 1010 NE ARG A 66 -14.795 -7.154 -19.807 1.00 44.24 N ATOM 1011 CZ ARG A 66 -15.091 -8.172 -19.008 1.00 22.42 C ATOM 1012 NH1 ARG A 66 -14.139 -9.005 -18.609 1.00 10.34 N ATOM 1013 NH2 ARG A 66 -16.341 -8.360 -18.606 1.00 13.25 N ATOM 0 H ARG A 66 -10.317 -2.819 -20.897 1.00 73.01 H new ATOM 0 HA ARG A 66 -12.657 -3.886 -19.428 1.00 55.14 H new ATOM 0 HB2 ARG A 66 -11.854 -4.459 -22.074 1.00 63.45 H new ATOM 0 HB3 ARG A 66 -11.265 -5.810 -21.126 1.00 63.45 H new ATOM 0 HG2 ARG A 66 -14.101 -4.878 -20.732 1.00 62.32 H new ATOM 0 HG3 ARG A 66 -13.704 -5.825 -22.151 1.00 62.32 H new ATOM 0 HD2 ARG A 66 -13.098 -7.717 -20.895 1.00 3.40 H new ATOM 0 HD3 ARG A 66 -12.766 -6.783 -19.450 1.00 3.40 H new ATOM 0 HE ARG A 66 -15.550 -6.532 -20.095 1.00 44.24 H new ATOM 0 HH11 ARG A 66 -13.177 -8.864 -18.916 1.00 10.34 H new ATOM 0 HH12 ARG A 66 -14.369 -9.786 -17.995 1.00 10.34 H new ATOM 0 HH21 ARG A 66 -17.076 -7.722 -18.911 1.00 13.25 H new ATOM 0 HH22 ARG A 66 -16.567 -9.143 -17.992 1.00 13.25 H new ATOM 1027 N TYR A 67 -11.240 -5.425 -18.021 1.00 54.30 N ATOM 1028 CA TYR A 67 -10.393 -6.085 -17.036 1.00 24.42 C ATOM 1029 C TYR A 67 -10.094 -7.523 -17.451 1.00 5.31 C ATOM 1030 O TYR A 67 -10.990 -8.366 -17.503 1.00 45.54 O ATOM 1031 CB TYR A 67 -11.064 -6.069 -15.661 1.00 42.14 C ATOM 1032 CG TYR A 67 -11.515 -4.694 -15.225 1.00 12.45 C ATOM 1033 CD1 TYR A 67 -12.738 -4.178 -15.638 1.00 63.42 C ATOM 1034 CD2 TYR A 67 -10.719 -3.909 -14.399 1.00 74.02 C ATOM 1035 CE1 TYR A 67 -13.154 -2.922 -15.242 1.00 71.12 C ATOM 1036 CE2 TYR A 67 -11.128 -2.652 -13.997 1.00 74.30 C ATOM 1037 CZ TYR A 67 -12.346 -2.163 -14.421 1.00 73.23 C ATOM 1038 OH TYR A 67 -12.757 -0.911 -14.024 1.00 64.21 O ATOM 0 H TYR A 67 -12.240 -5.569 -17.881 1.00 54.30 H new ATOM 0 HA TYR A 67 -9.452 -5.538 -16.980 1.00 24.42 H new ATOM 0 HB2 TYR A 67 -11.926 -6.736 -15.678 1.00 42.14 H new ATOM 0 HB3 TYR A 67 -10.368 -6.466 -14.922 1.00 42.14 H new ATOM 0 HD1 TYR A 67 -13.374 -4.770 -16.280 1.00 63.42 H new ATOM 0 HD2 TYR A 67 -9.764 -4.288 -14.066 1.00 74.02 H new ATOM 0 HE1 TYR A 67 -14.107 -2.536 -15.573 1.00 71.12 H new ATOM 0 HE2 TYR A 67 -10.497 -2.056 -13.354 1.00 74.30 H new ATOM 0 HH TYR A 67 -12.073 -0.510 -13.448 1.00 64.21 H new ATOM 1048 N PHE A 68 -8.826 -7.795 -17.745 1.00 35.33 N ATOM 1049 CA PHE A 68 -8.407 -9.130 -18.156 1.00 30.14 C ATOM 1050 C PHE A 68 -7.645 -9.830 -17.034 1.00 42.03 C ATOM 1051 O PHE A 68 -6.898 -9.197 -16.287 1.00 25.31 O ATOM 1052 CB PHE A 68 -7.533 -9.050 -19.409 1.00 0.21 C ATOM 1053 CG PHE A 68 -7.926 -10.029 -20.478 1.00 15.21 C ATOM 1054 CD1 PHE A 68 -7.011 -10.946 -20.967 1.00 25.21 C ATOM 1055 CD2 PHE A 68 -9.212 -10.031 -20.994 1.00 73.22 C ATOM 1056 CE1 PHE A 68 -7.369 -11.849 -21.950 1.00 55.33 C ATOM 1057 CE2 PHE A 68 -9.577 -10.932 -21.977 1.00 51.42 C ATOM 1058 CZ PHE A 68 -8.654 -11.841 -22.457 1.00 13.42 C ATOM 0 H PHE A 68 -8.072 -7.109 -17.706 1.00 35.33 H new ATOM 0 HA PHE A 68 -9.301 -9.711 -18.382 1.00 30.14 H new ATOM 0 HB2 PHE A 68 -7.586 -8.040 -19.815 1.00 0.21 H new ATOM 0 HB3 PHE A 68 -6.494 -9.227 -19.130 1.00 0.21 H new ATOM 0 HD1 PHE A 68 -6.005 -10.956 -20.575 1.00 25.21 H new ATOM 0 HD2 PHE A 68 -9.937 -9.321 -20.624 1.00 73.22 H new ATOM 0 HE1 PHE A 68 -6.645 -12.560 -22.321 1.00 55.33 H new ATOM 0 HE2 PHE A 68 -10.583 -10.925 -22.369 1.00 51.42 H new ATOM 0 HZ PHE A 68 -8.936 -12.544 -23.227 1.00 13.42 H new ATOM 1068 N LEU A 69 -7.839 -11.139 -16.923 1.00 34.35 N ATOM 1069 CA LEU A 69 -7.171 -11.927 -15.892 1.00 53.13 C ATOM 1070 C LEU A 69 -7.473 -13.413 -16.061 1.00 41.54 C ATOM 1071 O LEU A 69 -6.581 -14.231 -16.285 1.00 5.21 O ATOM 1072 CB LEU A 69 -7.609 -11.461 -14.502 1.00 63.05 C ATOM 1073 CG LEU A 69 -6.545 -10.746 -13.669 1.00 11.32 C ATOM 1074 CD1 LEU A 69 -7.197 -9.833 -12.642 1.00 3.05 C ATOM 1075 CD2 LEU A 69 -5.634 -11.756 -12.986 1.00 13.30 C ATOM 0 H LEU A 69 -8.453 -11.678 -17.534 1.00 34.35 H new ATOM 0 HA LEU A 69 -6.096 -11.779 -15.996 1.00 53.13 H new ATOM 0 HB2 LEU A 69 -8.462 -10.792 -14.617 1.00 63.05 H new ATOM 0 HB3 LEU A 69 -7.957 -12.329 -13.942 1.00 63.05 H new ATOM 0 HG LEU A 69 -5.939 -10.134 -14.337 1.00 11.32 H new ATOM 0 HD11 LEU A 69 -6.425 -9.332 -12.058 1.00 3.05 H new ATOM 0 HD12 LEU A 69 -7.806 -9.087 -13.153 1.00 3.05 H new ATOM 0 HD13 LEU A 69 -7.828 -10.424 -11.978 1.00 3.05 H new ATOM 0 HD21 LEU A 69 -4.883 -11.229 -12.398 1.00 13.30 H new ATOM 0 HD22 LEU A 69 -6.226 -12.395 -12.330 1.00 13.30 H new ATOM 0 HD23 LEU A 69 -5.140 -12.369 -13.740 1.00 13.30 H new ATOM 1087 N PRO A 70 -8.761 -13.771 -15.955 1.00 10.03 N ATOM 1088 CA PRO A 70 -9.211 -15.159 -16.095 1.00 63.12 C ATOM 1089 C PRO A 70 -9.087 -15.666 -17.528 1.00 25.52 C ATOM 1090 O PRO A 70 -9.211 -16.864 -17.785 1.00 52.13 O ATOM 1091 CB PRO A 70 -10.681 -15.100 -15.674 1.00 52.04 C ATOM 1092 CG PRO A 70 -11.095 -13.694 -15.942 1.00 34.15 C ATOM 1093 CD PRO A 70 -9.878 -12.849 -15.689 1.00 42.42 C ATOM 0 HA PRO A 70 -8.610 -15.845 -15.498 1.00 63.12 H new ATOM 0 HB2 PRO A 70 -11.285 -15.806 -16.244 1.00 52.04 H new ATOM 0 HB3 PRO A 70 -10.802 -15.355 -14.621 1.00 52.04 H new ATOM 0 HG2 PRO A 70 -11.444 -13.579 -16.968 1.00 34.15 H new ATOM 0 HG3 PRO A 70 -11.918 -13.398 -15.291 1.00 34.15 H new ATOM 0 HD2 PRO A 70 -9.848 -11.981 -16.347 1.00 42.42 H new ATOM 0 HD3 PRO A 70 -9.855 -12.474 -14.666 1.00 42.42 H new ATOM 1101 N ASP A 71 -8.840 -14.749 -18.456 1.00 51.21 N ATOM 1102 CA ASP A 71 -8.697 -15.104 -19.863 1.00 54.23 C ATOM 1103 C ASP A 71 -9.874 -15.955 -20.331 1.00 52.51 C ATOM 1104 O ASP A 71 -9.718 -16.836 -21.176 1.00 73.21 O ATOM 1105 CB ASP A 71 -7.386 -15.857 -20.091 1.00 4.50 C ATOM 1106 CG ASP A 71 -6.265 -15.348 -19.206 1.00 11.15 C ATOM 1107 OD1 ASP A 71 -5.784 -14.220 -19.445 1.00 74.11 O ATOM 1108 OD2 ASP A 71 -5.869 -16.077 -18.272 1.00 73.04 O ATOM 0 H ASP A 71 -8.735 -13.754 -18.260 1.00 51.21 H new ATOM 0 HA ASP A 71 -8.683 -14.182 -20.445 1.00 54.23 H new ATOM 0 HB2 ASP A 71 -7.542 -16.919 -19.900 1.00 4.50 H new ATOM 0 HB3 ASP A 71 -7.092 -15.761 -21.136 1.00 4.50 H new ATOM 1113 N ARG A 72 -11.051 -15.684 -19.775 1.00 62.54 N ATOM 1114 CA ARG A 72 -12.253 -16.427 -20.134 1.00 14.40 C ATOM 1115 C ARG A 72 -13.381 -15.477 -20.529 1.00 64.12 C ATOM 1116 O ARG A 72 -14.556 -15.840 -20.484 1.00 31.12 O ATOM 1117 CB ARG A 72 -12.701 -17.309 -18.967 1.00 40.21 C ATOM 1118 CG ARG A 72 -12.027 -18.671 -18.940 1.00 0.12 C ATOM 1119 CD ARG A 72 -12.432 -19.468 -17.710 1.00 21.31 C ATOM 1120 NE ARG A 72 -13.358 -20.549 -18.039 1.00 1.34 N ATOM 1121 CZ ARG A 72 -13.938 -21.322 -17.128 1.00 15.35 C ATOM 1122 NH1 ARG A 72 -13.690 -21.134 -15.839 1.00 31.03 N ATOM 1123 NH2 ARG A 72 -14.770 -22.284 -17.505 1.00 21.50 N ATOM 0 H ARG A 72 -11.197 -14.956 -19.075 1.00 62.54 H new ATOM 0 HA ARG A 72 -12.017 -17.060 -20.989 1.00 14.40 H new ATOM 0 HB2 ARG A 72 -12.493 -16.791 -18.031 1.00 40.21 H new ATOM 0 HB3 ARG A 72 -13.781 -17.448 -19.021 1.00 40.21 H new ATOM 0 HG2 ARG A 72 -12.292 -19.227 -19.839 1.00 0.12 H new ATOM 0 HG3 ARG A 72 -10.945 -18.543 -18.952 1.00 0.12 H new ATOM 0 HD2 ARG A 72 -11.542 -19.884 -17.238 1.00 21.31 H new ATOM 0 HD3 ARG A 72 -12.896 -18.802 -16.983 1.00 21.31 H new ATOM 0 HE ARG A 72 -13.571 -20.719 -19.022 1.00 1.34 H new ATOM 0 HH11 ARG A 72 -13.052 -20.394 -15.545 1.00 31.03 H new ATOM 0 HH12 ARG A 72 -14.137 -21.729 -15.142 1.00 31.03 H new ATOM 0 HH21 ARG A 72 -14.965 -22.431 -18.495 1.00 21.50 H new ATOM 0 HH22 ARG A 72 -15.215 -22.877 -16.804 1.00 21.50 H new ATOM 1137 N ASP A 73 -13.014 -14.260 -20.916 1.00 23.30 N ATOM 1138 CA ASP A 73 -13.993 -13.258 -21.320 1.00 35.52 C ATOM 1139 C ASP A 73 -14.178 -13.258 -22.834 1.00 45.11 C ATOM 1140 O ASP A 73 -14.407 -12.212 -23.440 1.00 41.20 O ATOM 1141 CB ASP A 73 -13.560 -11.870 -20.846 1.00 32.44 C ATOM 1142 CG ASP A 73 -14.681 -10.853 -20.931 1.00 72.34 C ATOM 1143 OD1 ASP A 73 -15.648 -10.968 -20.148 1.00 43.54 O ATOM 1144 OD2 ASP A 73 -14.592 -9.943 -21.781 1.00 4.42 O ATOM 0 H ASP A 73 -12.045 -13.944 -20.958 1.00 23.30 H new ATOM 0 HA ASP A 73 -14.947 -13.510 -20.856 1.00 35.52 H new ATOM 0 HB2 ASP A 73 -13.209 -11.934 -19.816 1.00 32.44 H new ATOM 0 HB3 ASP A 73 -12.718 -11.530 -21.449 1.00 32.44 H new ATOM 1149 N GLU A 74 -14.074 -14.438 -23.438 1.00 52.53 N ATOM 1150 CA GLU A 74 -14.227 -14.571 -24.882 1.00 75.52 C ATOM 1151 C GLU A 74 -13.187 -13.733 -25.620 1.00 33.31 C ATOM 1152 O GLU A 74 -13.500 -13.056 -26.598 1.00 52.01 O ATOM 1153 CB GLU A 74 -15.635 -14.149 -25.309 1.00 62.43 C ATOM 1154 CG GLU A 74 -16.741 -14.876 -24.563 1.00 10.11 C ATOM 1155 CD GLU A 74 -17.948 -15.155 -25.437 1.00 34.34 C ATOM 1156 OE1 GLU A 74 -17.813 -15.936 -26.402 1.00 33.10 O ATOM 1157 OE2 GLU A 74 -19.028 -14.594 -25.156 1.00 4.43 O ATOM 0 H GLU A 74 -13.885 -15.314 -22.951 1.00 52.53 H new ATOM 0 HA GLU A 74 -14.074 -15.618 -25.142 1.00 75.52 H new ATOM 0 HB2 GLU A 74 -15.747 -13.076 -25.152 1.00 62.43 H new ATOM 0 HB3 GLU A 74 -15.750 -14.329 -26.378 1.00 62.43 H new ATOM 0 HG2 GLU A 74 -16.354 -15.817 -24.174 1.00 10.11 H new ATOM 0 HG3 GLU A 74 -17.049 -14.279 -23.705 1.00 10.11 H new ATOM 1164 N GLY A 75 -11.947 -13.784 -25.142 1.00 75.31 N ATOM 1165 CA GLY A 75 -10.880 -13.025 -25.767 1.00 21.41 C ATOM 1166 C GLY A 75 -9.588 -13.813 -25.863 1.00 12.21 C ATOM 1167 O GLY A 75 -8.863 -13.709 -26.851 1.00 65.14 O ATOM 0 H GLY A 75 -11.663 -14.337 -24.334 1.00 75.31 H new ATOM 0 HA2 GLY A 75 -11.192 -12.721 -26.766 1.00 21.41 H new ATOM 0 HA3 GLY A 75 -10.704 -12.113 -25.196 1.00 21.41 H new ATOM 1171 N MET A 76 -9.300 -14.601 -24.833 1.00 4.04 N ATOM 1172 CA MET A 76 -8.086 -15.409 -24.805 1.00 44.43 C ATOM 1173 C MET A 76 -7.944 -16.221 -26.089 1.00 11.23 C ATOM 1174 O MET A 76 -6.833 -16.502 -26.536 1.00 61.43 O ATOM 1175 CB MET A 76 -8.097 -16.344 -23.595 1.00 2.03 C ATOM 1176 CG MET A 76 -6.776 -17.061 -23.369 1.00 22.15 C ATOM 1177 SD MET A 76 -6.972 -18.612 -22.470 1.00 52.10 S ATOM 1178 CE MET A 76 -5.732 -18.422 -21.192 1.00 63.30 C ATOM 0 H MET A 76 -9.890 -14.698 -24.007 1.00 4.04 H new ATOM 0 HA MET A 76 -7.233 -14.735 -24.726 1.00 44.43 H new ATOM 0 HB2 MET A 76 -8.346 -15.768 -22.704 1.00 2.03 H new ATOM 0 HB3 MET A 76 -8.885 -17.085 -23.726 1.00 2.03 H new ATOM 0 HG2 MET A 76 -6.306 -17.261 -24.332 1.00 22.15 H new ATOM 0 HG3 MET A 76 -6.102 -16.407 -22.815 1.00 22.15 H new ATOM 0 HE1 MET A 76 -4.902 -19.101 -21.386 1.00 63.30 H new ATOM 0 HE2 MET A 76 -5.367 -17.395 -21.189 1.00 63.30 H new ATOM 0 HE3 MET A 76 -6.171 -18.654 -20.222 1.00 63.30 H new ATOM 1188 N MET A 77 -9.077 -16.594 -26.675 1.00 64.33 N ATOM 1189 CA MET A 77 -9.077 -17.374 -27.908 1.00 55.50 C ATOM 1190 C MET A 77 -8.409 -16.600 -29.040 1.00 72.34 C ATOM 1191 O MET A 77 -7.662 -17.169 -29.835 1.00 60.43 O ATOM 1192 CB MET A 77 -10.509 -17.743 -28.302 1.00 42.22 C ATOM 1193 CG MET A 77 -11.414 -16.538 -28.502 1.00 31.12 C ATOM 1194 SD MET A 77 -13.137 -17.000 -28.764 1.00 32.02 S ATOM 1195 CE MET A 77 -13.311 -16.679 -30.517 1.00 40.04 C ATOM 0 H MET A 77 -10.005 -16.369 -26.317 1.00 64.33 H new ATOM 0 HA MET A 77 -8.509 -18.288 -27.732 1.00 55.50 H new ATOM 0 HB2 MET A 77 -10.485 -18.326 -29.223 1.00 42.22 H new ATOM 0 HB3 MET A 77 -10.936 -18.384 -27.530 1.00 42.22 H new ATOM 0 HG2 MET A 77 -11.345 -15.888 -27.630 1.00 31.12 H new ATOM 0 HG3 MET A 77 -11.062 -15.962 -29.358 1.00 31.12 H new ATOM 0 HE1 MET A 77 -14.327 -16.917 -30.831 1.00 40.04 H new ATOM 0 HE2 MET A 77 -13.107 -15.627 -30.716 1.00 40.04 H new ATOM 0 HE3 MET A 77 -12.605 -17.297 -31.072 1.00 40.04 H new ATOM 1205 N GLU A 78 -8.684 -15.301 -29.107 1.00 30.30 N ATOM 1206 CA GLU A 78 -8.109 -14.452 -30.144 1.00 14.25 C ATOM 1207 C GLU A 78 -6.785 -13.851 -29.682 1.00 0.51 C ATOM 1208 O GLU A 78 -5.965 -13.431 -30.498 1.00 23.33 O ATOM 1209 CB GLU A 78 -9.086 -13.335 -30.518 1.00 70.13 C ATOM 1210 CG GLU A 78 -10.220 -13.795 -31.418 1.00 74.24 C ATOM 1211 CD GLU A 78 -10.910 -12.643 -32.123 1.00 31.11 C ATOM 1212 OE1 GLU A 78 -12.158 -12.647 -32.184 1.00 25.30 O ATOM 1213 OE2 GLU A 78 -10.203 -11.738 -32.613 1.00 53.01 O ATOM 0 H GLU A 78 -9.301 -14.814 -28.456 1.00 30.30 H new ATOM 0 HA GLU A 78 -7.921 -15.070 -31.022 1.00 14.25 H new ATOM 0 HB2 GLU A 78 -9.506 -12.911 -29.606 1.00 70.13 H new ATOM 0 HB3 GLU A 78 -8.538 -12.536 -31.018 1.00 70.13 H new ATOM 0 HG2 GLU A 78 -9.830 -14.490 -32.162 1.00 74.24 H new ATOM 0 HG3 GLU A 78 -10.951 -14.343 -30.823 1.00 74.24 H new ATOM 1220 N GLU A 79 -6.585 -13.812 -28.368 1.00 72.02 N ATOM 1221 CA GLU A 79 -5.361 -13.261 -27.798 1.00 54.22 C ATOM 1222 C GLU A 79 -4.409 -14.375 -27.373 1.00 34.01 C ATOM 1223 O GLU A 79 -3.512 -14.163 -26.558 1.00 54.31 O ATOM 1224 CB GLU A 79 -5.688 -12.369 -26.599 1.00 1.52 C ATOM 1225 CG GLU A 79 -6.710 -11.286 -26.905 1.00 64.55 C ATOM 1226 CD GLU A 79 -6.459 -10.609 -28.239 1.00 14.12 C ATOM 1227 OE1 GLU A 79 -7.284 -10.790 -29.159 1.00 63.15 O ATOM 1228 OE2 GLU A 79 -5.440 -9.898 -28.362 1.00 32.31 O ATOM 0 H GLU A 79 -7.254 -14.155 -27.679 1.00 72.02 H new ATOM 0 HA GLU A 79 -4.871 -12.661 -28.565 1.00 54.22 H new ATOM 0 HB2 GLU A 79 -6.063 -12.991 -25.786 1.00 1.52 H new ATOM 0 HB3 GLU A 79 -4.770 -11.900 -26.245 1.00 1.52 H new ATOM 0 HG2 GLU A 79 -7.708 -11.723 -26.906 1.00 64.55 H new ATOM 0 HG3 GLU A 79 -6.690 -10.538 -26.112 1.00 64.55 H new ATOM 1235 N GLY A 80 -4.613 -15.565 -27.931 1.00 43.42 N ATOM 1236 CA GLY A 80 -3.766 -16.695 -27.598 1.00 20.04 C ATOM 1237 C GLY A 80 -3.845 -17.803 -28.629 1.00 33.11 C ATOM 1238 O GLY A 80 -2.841 -18.443 -28.943 1.00 52.42 O ATOM 0 H GLY A 80 -5.350 -15.766 -28.607 1.00 43.42 H new ATOM 0 HA2 GLY A 80 -2.733 -16.358 -27.510 1.00 20.04 H new ATOM 0 HA3 GLY A 80 -4.057 -17.088 -26.624 1.00 20.04 H new ATOM 1242 N LYS A 81 -5.043 -18.033 -29.157 1.00 22.22 N ATOM 1243 CA LYS A 81 -5.251 -19.072 -30.159 1.00 11.14 C ATOM 1244 C LYS A 81 -5.314 -18.472 -31.560 1.00 12.15 C ATOM 1245 O LYS A 81 -5.829 -19.094 -32.490 1.00 22.12 O ATOM 1246 CB LYS A 81 -6.540 -19.843 -29.864 1.00 0.53 C ATOM 1247 CG LYS A 81 -6.467 -21.314 -30.234 1.00 53.32 C ATOM 1248 CD LYS A 81 -7.821 -21.991 -30.097 1.00 42.34 C ATOM 1249 CE LYS A 81 -8.125 -22.341 -28.649 1.00 0.12 C ATOM 1250 NZ LYS A 81 -9.505 -21.939 -28.259 1.00 61.11 N ATOM 0 H LYS A 81 -5.885 -17.514 -28.907 1.00 22.22 H new ATOM 0 HA LYS A 81 -4.406 -19.759 -30.115 1.00 11.14 H new ATOM 0 HB2 LYS A 81 -6.771 -19.755 -28.802 1.00 0.53 H new ATOM 0 HB3 LYS A 81 -7.363 -19.380 -30.409 1.00 0.53 H new ATOM 0 HG2 LYS A 81 -6.111 -21.415 -31.259 1.00 53.32 H new ATOM 0 HG3 LYS A 81 -5.742 -21.816 -29.593 1.00 53.32 H new ATOM 0 HD2 LYS A 81 -8.599 -21.333 -30.484 1.00 42.34 H new ATOM 0 HD3 LYS A 81 -7.839 -22.897 -30.703 1.00 42.34 H new ATOM 0 HE2 LYS A 81 -8.004 -23.414 -28.502 1.00 0.12 H new ATOM 0 HE3 LYS A 81 -7.405 -21.847 -27.997 1.00 0.12 H new ATOM 0 HZ1 LYS A 81 -9.673 -22.195 -27.265 1.00 61.11 H new ATOM 0 HZ2 LYS A 81 -9.613 -20.911 -28.375 1.00 61.11 H new ATOM 0 HZ3 LYS A 81 -10.194 -22.430 -28.864 1.00 61.11 H new ATOM 1264 N LEU A 82 -4.787 -17.261 -31.704 1.00 31.22 N ATOM 1265 CA LEU A 82 -4.782 -16.577 -32.992 1.00 72.45 C ATOM 1266 C LEU A 82 -3.396 -16.026 -33.311 1.00 13.52 C ATOM 1267 O LEU A 82 -2.751 -16.454 -34.268 1.00 14.10 O ATOM 1268 CB LEU A 82 -5.808 -15.443 -32.994 1.00 52.10 C ATOM 1269 CG LEU A 82 -6.363 -15.041 -34.361 1.00 65.13 C ATOM 1270 CD1 LEU A 82 -7.494 -14.037 -34.204 1.00 71.35 C ATOM 1271 CD2 LEU A 82 -5.258 -14.469 -35.238 1.00 24.43 C ATOM 0 H LEU A 82 -4.358 -16.733 -30.944 1.00 31.22 H new ATOM 0 HA LEU A 82 -5.050 -17.302 -33.761 1.00 72.45 H new ATOM 0 HB2 LEU A 82 -6.643 -15.735 -32.357 1.00 52.10 H new ATOM 0 HB3 LEU A 82 -5.350 -14.565 -32.538 1.00 52.10 H new ATOM 0 HG LEU A 82 -6.761 -15.932 -34.846 1.00 65.13 H new ATOM 0 HD11 LEU A 82 -7.876 -13.763 -35.187 1.00 71.35 H new ATOM 0 HD12 LEU A 82 -8.296 -14.481 -33.614 1.00 71.35 H new ATOM 0 HD13 LEU A 82 -7.122 -13.146 -33.698 1.00 71.35 H new ATOM 0 HD21 LEU A 82 -5.671 -14.188 -36.207 1.00 24.43 H new ATOM 0 HD22 LEU A 82 -4.831 -13.589 -34.757 1.00 24.43 H new ATOM 0 HD23 LEU A 82 -4.480 -15.219 -35.379 1.00 24.43 H new ATOM 1283 N ASP A 83 -2.944 -15.075 -32.501 1.00 43.41 N ATOM 1284 CA ASP A 83 -1.633 -14.466 -32.694 1.00 65.21 C ATOM 1285 C ASP A 83 -0.671 -14.884 -31.586 1.00 31.01 C ATOM 1286 O ASP A 83 -0.962 -14.715 -30.402 1.00 44.31 O ATOM 1287 CB ASP A 83 -1.755 -12.942 -32.733 1.00 24.04 C ATOM 1288 CG ASP A 83 -3.041 -12.481 -33.388 1.00 53.34 C ATOM 1289 OD1 ASP A 83 -2.993 -12.070 -34.567 1.00 62.10 O ATOM 1290 OD2 ASP A 83 -4.097 -12.531 -32.723 1.00 62.03 O ATOM 0 H ASP A 83 -3.466 -14.709 -31.705 1.00 43.41 H new ATOM 0 HA ASP A 83 -1.235 -14.815 -33.647 1.00 65.21 H new ATOM 0 HB2 ASP A 83 -1.708 -12.551 -31.717 1.00 24.04 H new ATOM 0 HB3 ASP A 83 -0.905 -12.526 -33.275 1.00 24.04 H new ATOM 1295 N ALA A 84 0.474 -15.432 -31.979 1.00 4.44 N ATOM 1296 CA ALA A 84 1.479 -15.873 -31.019 1.00 12.22 C ATOM 1297 C ALA A 84 1.915 -14.725 -30.114 1.00 64.35 C ATOM 1298 O ALA A 84 2.269 -14.937 -28.955 1.00 3.44 O ATOM 1299 CB ALA A 84 2.679 -16.462 -31.745 1.00 5.35 C ATOM 0 H ALA A 84 0.729 -15.581 -32.955 1.00 4.44 H new ATOM 0 HA ALA A 84 1.033 -16.645 -30.392 1.00 12.22 H new ATOM 0 HB1 ALA A 84 3.422 -16.787 -31.016 1.00 5.35 H new ATOM 0 HB2 ALA A 84 2.360 -17.315 -32.343 1.00 5.35 H new ATOM 0 HB3 ALA A 84 3.117 -15.706 -32.397 1.00 5.35 H new ATOM 1305 N SER A 85 1.889 -13.510 -30.653 1.00 73.40 N ATOM 1306 CA SER A 85 2.286 -12.330 -29.895 1.00 43.55 C ATOM 1307 C SER A 85 1.375 -12.126 -28.689 1.00 23.13 C ATOM 1308 O SER A 85 1.838 -11.796 -27.596 1.00 63.22 O ATOM 1309 CB SER A 85 2.252 -11.089 -30.790 1.00 11.44 C ATOM 1310 OG SER A 85 3.494 -10.407 -30.764 1.00 11.23 O ATOM 0 H SER A 85 1.597 -13.318 -31.611 1.00 73.40 H new ATOM 0 HA SER A 85 3.304 -12.484 -29.537 1.00 43.55 H new ATOM 0 HB2 SER A 85 2.015 -11.381 -31.813 1.00 11.44 H new ATOM 0 HB3 SER A 85 1.459 -10.419 -30.458 1.00 11.44 H new ATOM 0 HG SER A 85 3.447 -9.619 -31.345 1.00 11.23 H new ATOM 1316 N CYS A 86 0.078 -12.325 -28.895 1.00 22.24 N ATOM 1317 CA CYS A 86 -0.900 -12.163 -27.824 1.00 64.14 C ATOM 1318 C CYS A 86 -0.695 -13.213 -26.737 1.00 61.24 C ATOM 1319 O CYS A 86 -0.684 -12.896 -25.548 1.00 72.14 O ATOM 1320 CB CYS A 86 -2.320 -12.261 -28.384 1.00 4.42 C ATOM 1321 SG CYS A 86 -2.715 -11.000 -29.619 1.00 23.43 S ATOM 0 H CYS A 86 -0.321 -12.599 -29.793 1.00 22.24 H new ATOM 0 HA CYS A 86 -0.759 -11.177 -27.382 1.00 64.14 H new ATOM 0 HB2 CYS A 86 -2.456 -13.246 -28.830 1.00 4.42 H new ATOM 0 HB3 CYS A 86 -3.030 -12.183 -27.561 1.00 4.42 H new ATOM 0 HG CYS A 86 -3.826 -10.408 -29.294 1.00 23.43 H new ATOM 1327 N ALA A 87 -0.534 -14.465 -27.154 1.00 14.01 N ATOM 1328 CA ALA A 87 -0.330 -15.562 -26.216 1.00 1.10 C ATOM 1329 C ALA A 87 0.938 -15.353 -25.394 1.00 54.45 C ATOM 1330 O ALA A 87 0.981 -15.678 -24.208 1.00 64.41 O ATOM 1331 CB ALA A 87 -0.266 -16.888 -26.960 1.00 51.51 C ATOM 0 H ALA A 87 -0.541 -14.744 -28.135 1.00 14.01 H new ATOM 0 HA ALA A 87 -1.177 -15.583 -25.530 1.00 1.10 H new ATOM 0 HB1 ALA A 87 -0.113 -17.698 -26.247 1.00 51.51 H new ATOM 0 HB2 ALA A 87 -1.200 -17.049 -27.498 1.00 51.51 H new ATOM 0 HB3 ALA A 87 0.562 -16.868 -27.669 1.00 51.51 H new ATOM 1337 N VAL A 88 1.968 -14.807 -26.033 1.00 61.52 N ATOM 1338 CA VAL A 88 3.237 -14.554 -25.361 1.00 71.41 C ATOM 1339 C VAL A 88 3.102 -13.434 -24.336 1.00 41.34 C ATOM 1340 O VAL A 88 3.579 -13.550 -23.208 1.00 31.11 O ATOM 1341 CB VAL A 88 4.342 -14.184 -26.369 1.00 15.24 C ATOM 1342 CG1 VAL A 88 5.609 -13.764 -25.641 1.00 4.14 C ATOM 1343 CG2 VAL A 88 4.617 -15.348 -27.308 1.00 42.24 C ATOM 0 H VAL A 88 1.948 -14.532 -27.015 1.00 61.52 H new ATOM 0 HA VAL A 88 3.515 -15.477 -24.851 1.00 71.41 H new ATOM 0 HB VAL A 88 3.998 -13.339 -26.966 1.00 15.24 H new ATOM 0 HG11 VAL A 88 6.378 -13.506 -26.369 1.00 4.14 H new ATOM 0 HG12 VAL A 88 5.398 -12.898 -25.014 1.00 4.14 H new ATOM 0 HG13 VAL A 88 5.960 -14.586 -25.018 1.00 4.14 H new ATOM 0 HG21 VAL A 88 5.400 -15.069 -28.013 1.00 42.24 H new ATOM 0 HG22 VAL A 88 4.941 -16.213 -26.730 1.00 42.24 H new ATOM 0 HG23 VAL A 88 3.708 -15.597 -27.855 1.00 42.24 H new ATOM 1353 N ALA A 89 2.449 -12.348 -24.737 1.00 72.14 N ATOM 1354 CA ALA A 89 2.249 -11.207 -23.853 1.00 54.32 C ATOM 1355 C ALA A 89 1.470 -11.609 -22.606 1.00 14.15 C ATOM 1356 O ALA A 89 1.829 -11.232 -21.490 1.00 24.23 O ATOM 1357 CB ALA A 89 1.527 -10.088 -24.590 1.00 64.14 C ATOM 0 H ALA A 89 2.050 -12.235 -25.669 1.00 72.14 H new ATOM 0 HA ALA A 89 3.228 -10.847 -23.538 1.00 54.32 H new ATOM 0 HB1 ALA A 89 1.384 -9.242 -23.917 1.00 64.14 H new ATOM 0 HB2 ALA A 89 2.122 -9.774 -25.447 1.00 64.14 H new ATOM 0 HB3 ALA A 89 0.557 -10.446 -24.934 1.00 64.14 H new ATOM 1363 N ILE A 90 0.402 -12.375 -22.802 1.00 14.53 N ATOM 1364 CA ILE A 90 -0.427 -12.827 -21.692 1.00 34.43 C ATOM 1365 C ILE A 90 0.342 -13.782 -20.785 1.00 74.41 C ATOM 1366 O ILE A 90 0.336 -13.633 -19.564 1.00 24.12 O ATOM 1367 CB ILE A 90 -1.704 -13.529 -22.192 1.00 11.40 C ATOM 1368 CG1 ILE A 90 -2.536 -12.571 -23.048 1.00 20.21 C ATOM 1369 CG2 ILE A 90 -2.521 -14.043 -21.016 1.00 54.32 C ATOM 1370 CD1 ILE A 90 -3.650 -13.255 -23.810 1.00 10.54 C ATOM 0 H ILE A 90 0.091 -12.695 -23.719 1.00 14.53 H new ATOM 0 HA ILE A 90 -0.708 -11.939 -21.126 1.00 34.43 H new ATOM 0 HB ILE A 90 -1.416 -14.381 -22.808 1.00 11.40 H new ATOM 0 HG12 ILE A 90 -2.965 -11.802 -22.406 1.00 20.21 H new ATOM 0 HG13 ILE A 90 -1.879 -12.065 -23.756 1.00 20.21 H new ATOM 0 HG21 ILE A 90 -3.420 -14.536 -21.385 1.00 54.32 H new ATOM 0 HG22 ILE A 90 -1.926 -14.754 -20.443 1.00 54.32 H new ATOM 0 HG23 ILE A 90 -2.803 -13.207 -20.376 1.00 54.32 H new ATOM 0 HD11 ILE A 90 -4.198 -12.516 -24.395 1.00 10.54 H new ATOM 0 HD12 ILE A 90 -3.227 -14.005 -24.478 1.00 10.54 H new ATOM 0 HD13 ILE A 90 -4.329 -13.737 -23.107 1.00 10.54 H new ATOM 1382 N GLU A 91 1.003 -14.762 -21.393 1.00 23.55 N ATOM 1383 CA GLU A 91 1.778 -15.741 -20.639 1.00 63.32 C ATOM 1384 C GLU A 91 2.834 -15.054 -19.779 1.00 2.54 C ATOM 1385 O GLU A 91 3.115 -15.484 -18.661 1.00 32.43 O ATOM 1386 CB GLU A 91 2.448 -16.736 -21.590 1.00 40.41 C ATOM 1387 CG GLU A 91 1.565 -17.917 -21.956 1.00 24.02 C ATOM 1388 CD GLU A 91 2.365 -19.138 -22.366 1.00 45.14 C ATOM 1389 OE1 GLU A 91 3.323 -18.982 -23.153 1.00 2.13 O ATOM 1390 OE2 GLU A 91 2.034 -20.249 -21.902 1.00 42.32 O ATOM 0 H GLU A 91 1.018 -14.899 -22.404 1.00 23.55 H new ATOM 0 HA GLU A 91 1.094 -16.280 -19.983 1.00 63.32 H new ATOM 0 HB2 GLU A 91 2.739 -16.215 -22.502 1.00 40.41 H new ATOM 0 HB3 GLU A 91 3.363 -17.107 -21.129 1.00 40.41 H new ATOM 0 HG2 GLU A 91 0.933 -18.170 -21.105 1.00 24.02 H new ATOM 0 HG3 GLU A 91 0.902 -17.631 -22.772 1.00 24.02 H new ATOM 1397 N GLU A 92 3.416 -13.982 -20.309 1.00 71.44 N ATOM 1398 CA GLU A 92 4.442 -13.236 -19.590 1.00 72.15 C ATOM 1399 C GLU A 92 3.832 -12.450 -18.433 1.00 63.11 C ATOM 1400 O GLU A 92 4.367 -12.442 -17.325 1.00 32.33 O ATOM 1401 CB GLU A 92 5.171 -12.283 -20.540 1.00 72.44 C ATOM 1402 CG GLU A 92 6.409 -11.646 -19.932 1.00 34.13 C ATOM 1403 CD GLU A 92 7.605 -11.691 -20.862 1.00 42.11 C ATOM 1404 OE1 GLU A 92 7.927 -12.790 -21.361 1.00 53.44 O ATOM 1405 OE2 GLU A 92 8.220 -10.628 -21.091 1.00 31.45 O ATOM 0 H GLU A 92 3.194 -13.611 -21.233 1.00 71.44 H new ATOM 0 HA GLU A 92 5.158 -13.951 -19.184 1.00 72.15 H new ATOM 0 HB2 GLU A 92 5.458 -12.829 -21.439 1.00 72.44 H new ATOM 0 HB3 GLU A 92 4.483 -11.496 -20.850 1.00 72.44 H new ATOM 0 HG2 GLU A 92 6.191 -10.609 -19.676 1.00 34.13 H new ATOM 0 HG3 GLU A 92 6.657 -12.158 -19.002 1.00 34.13 H new ATOM 1412 N ALA A 93 2.710 -11.790 -18.700 1.00 43.31 N ATOM 1413 CA ALA A 93 2.027 -11.002 -17.682 1.00 11.12 C ATOM 1414 C ALA A 93 1.659 -11.862 -16.477 1.00 44.13 C ATOM 1415 O ALA A 93 1.827 -11.445 -15.331 1.00 13.41 O ATOM 1416 CB ALA A 93 0.783 -10.349 -18.266 1.00 72.41 C ATOM 0 H ALA A 93 2.255 -11.785 -19.613 1.00 43.31 H new ATOM 0 HA ALA A 93 2.709 -10.222 -17.344 1.00 11.12 H new ATOM 0 HB1 ALA A 93 0.283 -9.764 -17.494 1.00 72.41 H new ATOM 0 HB2 ALA A 93 1.068 -9.695 -19.090 1.00 72.41 H new ATOM 0 HB3 ALA A 93 0.105 -11.120 -18.633 1.00 72.41 H new ATOM 1422 N ILE A 94 1.158 -13.063 -16.745 1.00 11.14 N ATOM 1423 CA ILE A 94 0.767 -13.981 -15.682 1.00 4.10 C ATOM 1424 C ILE A 94 1.990 -14.610 -15.022 1.00 72.23 C ATOM 1425 O ILE A 94 1.993 -14.870 -13.819 1.00 74.15 O ATOM 1426 CB ILE A 94 -0.148 -15.100 -16.213 1.00 15.42 C ATOM 1427 CG1 ILE A 94 0.582 -15.926 -17.273 1.00 74.23 C ATOM 1428 CG2 ILE A 94 -1.430 -14.509 -16.783 1.00 23.43 C ATOM 1429 CD1 ILE A 94 -0.273 -17.014 -17.885 1.00 63.22 C ATOM 0 H ILE A 94 1.013 -13.423 -17.688 1.00 11.14 H new ATOM 0 HA ILE A 94 0.219 -13.395 -14.944 1.00 4.10 H new ATOM 0 HB ILE A 94 -0.411 -15.758 -15.385 1.00 15.42 H new ATOM 0 HG12 ILE A 94 0.931 -15.261 -18.063 1.00 74.23 H new ATOM 0 HG13 ILE A 94 1.466 -16.379 -16.824 1.00 74.23 H new ATOM 0 HG21 ILE A 94 -2.067 -15.312 -17.155 1.00 23.43 H new ATOM 0 HG22 ILE A 94 -1.956 -13.960 -16.002 1.00 23.43 H new ATOM 0 HG23 ILE A 94 -1.186 -13.831 -17.601 1.00 23.43 H new ATOM 0 HD11 ILE A 94 0.309 -17.559 -18.628 1.00 63.22 H new ATOM 0 HD12 ILE A 94 -0.601 -17.701 -17.105 1.00 63.22 H new ATOM 0 HD13 ILE A 94 -1.144 -16.566 -18.364 1.00 63.22 H new ATOM 1441 N GLN A 95 3.027 -14.851 -15.818 1.00 52.41 N ATOM 1442 CA GLN A 95 4.256 -15.448 -15.311 1.00 21.44 C ATOM 1443 C GLN A 95 4.952 -14.511 -14.329 1.00 62.41 C ATOM 1444 O GLN A 95 5.625 -14.958 -13.399 1.00 11.02 O ATOM 1445 CB GLN A 95 5.199 -15.787 -16.467 1.00 13.02 C ATOM 1446 CG GLN A 95 4.974 -17.173 -17.049 1.00 52.02 C ATOM 1447 CD GLN A 95 5.454 -17.289 -18.483 1.00 12.45 C ATOM 1448 OE1 GLN A 95 6.380 -16.591 -18.898 1.00 14.24 O ATOM 1449 NE2 GLN A 95 4.825 -18.173 -19.248 1.00 65.20 N ATOM 0 H GLN A 95 3.040 -14.642 -16.816 1.00 52.41 H new ATOM 0 HA GLN A 95 3.994 -16.366 -14.785 1.00 21.44 H new ATOM 0 HB2 GLN A 95 5.074 -15.046 -17.256 1.00 13.02 H new ATOM 0 HB3 GLN A 95 6.229 -15.711 -16.119 1.00 13.02 H new ATOM 0 HG2 GLN A 95 5.493 -17.909 -16.435 1.00 52.02 H new ATOM 0 HG3 GLN A 95 3.912 -17.413 -17.005 1.00 52.02 H new ATOM 0 HE21 GLN A 95 4.063 -18.730 -18.862 1.00 65.20 H new ATOM 0 HE22 GLN A 95 5.104 -18.295 -20.221 1.00 65.20 H new ATOM 1458 N LEU A 96 4.787 -13.211 -14.542 1.00 51.32 N ATOM 1459 CA LEU A 96 5.400 -12.210 -13.676 1.00 51.52 C ATOM 1460 C LEU A 96 4.508 -11.909 -12.476 1.00 3.43 C ATOM 1461 O LEU A 96 4.986 -11.803 -11.346 1.00 32.53 O ATOM 1462 CB LEU A 96 5.669 -10.924 -14.461 1.00 24.24 C ATOM 1463 CG LEU A 96 6.819 -10.981 -15.467 1.00 4.31 C ATOM 1464 CD1 LEU A 96 6.774 -9.779 -16.398 1.00 14.13 C ATOM 1465 CD2 LEU A 96 8.157 -11.048 -14.745 1.00 2.43 C ATOM 0 H LEU A 96 4.234 -12.825 -15.307 1.00 51.32 H new ATOM 0 HA LEU A 96 6.346 -12.611 -13.311 1.00 51.52 H new ATOM 0 HB2 LEU A 96 4.759 -10.651 -14.995 1.00 24.24 H new ATOM 0 HB3 LEU A 96 5.874 -10.124 -13.750 1.00 24.24 H new ATOM 0 HG LEU A 96 6.707 -11.884 -16.067 1.00 4.31 H new ATOM 0 HD11 LEU A 96 7.600 -9.837 -17.107 1.00 14.13 H new ATOM 0 HD12 LEU A 96 5.829 -9.775 -16.941 1.00 14.13 H new ATOM 0 HD13 LEU A 96 6.861 -8.863 -15.814 1.00 14.13 H new ATOM 0 HD21 LEU A 96 8.964 -11.088 -15.477 1.00 2.43 H new ATOM 0 HD22 LEU A 96 8.278 -10.163 -14.120 1.00 2.43 H new ATOM 0 HD23 LEU A 96 8.189 -11.941 -14.120 1.00 2.43 H new ATOM 1477 N TYR A 97 3.211 -11.773 -12.728 1.00 62.21 N ATOM 1478 CA TYR A 97 2.252 -11.484 -11.668 1.00 64.43 C ATOM 1479 C TYR A 97 2.268 -12.579 -10.606 1.00 62.41 C ATOM 1480 O TYR A 97 2.239 -12.297 -9.409 1.00 24.43 O ATOM 1481 CB TYR A 97 0.845 -11.343 -12.250 1.00 12.21 C ATOM 1482 CG TYR A 97 -0.225 -11.136 -11.202 1.00 34.30 C ATOM 1483 CD1 TYR A 97 -0.179 -10.049 -10.338 1.00 41.45 C ATOM 1484 CD2 TYR A 97 -1.282 -12.029 -11.075 1.00 33.05 C ATOM 1485 CE1 TYR A 97 -1.154 -9.856 -9.379 1.00 31.10 C ATOM 1486 CE2 TYR A 97 -2.263 -11.844 -10.119 1.00 44.30 C ATOM 1487 CZ TYR A 97 -2.194 -10.756 -9.274 1.00 20.14 C ATOM 1488 OH TYR A 97 -3.168 -10.569 -8.319 1.00 42.35 O ATOM 0 H TYR A 97 2.799 -11.858 -13.657 1.00 62.21 H new ATOM 0 HA TYR A 97 2.540 -10.543 -11.198 1.00 64.43 H new ATOM 0 HB2 TYR A 97 0.830 -10.502 -12.943 1.00 12.21 H new ATOM 0 HB3 TYR A 97 0.608 -12.237 -12.827 1.00 12.21 H new ATOM 0 HD1 TYR A 97 0.634 -9.342 -10.418 1.00 41.45 H new ATOM 0 HD2 TYR A 97 -1.338 -12.882 -11.735 1.00 33.05 H new ATOM 0 HE1 TYR A 97 -1.102 -9.006 -8.715 1.00 31.10 H new ATOM 0 HE2 TYR A 97 -3.078 -12.547 -10.034 1.00 44.30 H new ATOM 0 HH TYR A 97 -3.828 -11.291 -8.379 1.00 42.35 H new ATOM 1498 N GLU A 98 2.315 -13.830 -11.055 1.00 53.22 N ATOM 1499 CA GLU A 98 2.334 -14.968 -10.144 1.00 2.22 C ATOM 1500 C GLU A 98 3.712 -15.133 -9.508 1.00 51.55 C ATOM 1501 O GLU A 98 3.858 -15.798 -8.484 1.00 11.45 O ATOM 1502 CB GLU A 98 1.945 -16.249 -10.884 1.00 64.21 C ATOM 1503 CG GLU A 98 1.583 -17.400 -9.960 1.00 42.13 C ATOM 1504 CD GLU A 98 0.120 -17.390 -9.562 1.00 2.11 C ATOM 1505 OE1 GLU A 98 -0.196 -17.877 -8.456 1.00 52.30 O ATOM 1506 OE2 GLU A 98 -0.708 -16.896 -10.355 1.00 40.11 O ATOM 0 H GLU A 98 2.341 -14.080 -12.043 1.00 53.22 H new ATOM 0 HA GLU A 98 1.608 -14.780 -9.353 1.00 2.22 H new ATOM 0 HB2 GLU A 98 1.098 -16.038 -11.537 1.00 64.21 H new ATOM 0 HB3 GLU A 98 2.773 -16.554 -11.524 1.00 64.21 H new ATOM 0 HG2 GLU A 98 1.815 -18.344 -10.453 1.00 42.13 H new ATOM 0 HG3 GLU A 98 2.200 -17.349 -9.063 1.00 42.13 H new ATOM 1513 N GLU A 99 4.719 -14.522 -10.126 1.00 34.22 N ATOM 1514 CA GLU A 99 6.084 -14.603 -9.621 1.00 44.54 C ATOM 1515 C GLU A 99 6.329 -13.550 -8.544 1.00 22.23 C ATOM 1516 O GLU A 99 7.153 -13.743 -7.650 1.00 32.31 O ATOM 1517 CB GLU A 99 7.085 -14.420 -10.764 1.00 64.23 C ATOM 1518 CG GLU A 99 7.620 -15.730 -11.320 1.00 11.51 C ATOM 1519 CD GLU A 99 8.564 -15.525 -12.489 1.00 31.21 C ATOM 1520 OE1 GLU A 99 9.359 -14.563 -12.447 1.00 53.44 O ATOM 1521 OE2 GLU A 99 8.508 -16.327 -13.445 1.00 10.34 O ATOM 0 H GLU A 99 4.615 -13.967 -10.975 1.00 34.22 H new ATOM 0 HA GLU A 99 6.223 -15.590 -9.179 1.00 44.54 H new ATOM 0 HB2 GLU A 99 6.607 -13.862 -11.569 1.00 64.23 H new ATOM 0 HB3 GLU A 99 7.921 -13.817 -10.411 1.00 64.23 H new ATOM 0 HG2 GLU A 99 8.139 -16.271 -10.529 1.00 11.51 H new ATOM 0 HG3 GLU A 99 6.785 -16.354 -11.638 1.00 11.51 H new ATOM 1528 N GLN A 100 5.608 -12.438 -8.637 1.00 2.42 N ATOM 1529 CA GLN A 100 5.748 -11.354 -7.671 1.00 30.32 C ATOM 1530 C GLN A 100 4.657 -11.429 -6.608 1.00 11.32 C ATOM 1531 O GLN A 100 4.862 -11.023 -5.463 1.00 21.21 O ATOM 1532 CB GLN A 100 5.694 -10.000 -8.380 1.00 60.11 C ATOM 1533 CG GLN A 100 7.000 -9.615 -9.056 1.00 50.02 C ATOM 1534 CD GLN A 100 7.771 -8.565 -8.281 1.00 21.12 C ATOM 1535 OE1 GLN A 100 8.809 -8.855 -7.685 1.00 42.50 O ATOM 1536 NE2 GLN A 100 7.267 -7.337 -8.284 1.00 54.23 N ATOM 0 H GLN A 100 4.921 -12.263 -9.371 1.00 2.42 H new ATOM 0 HA GLN A 100 6.716 -11.460 -7.181 1.00 30.32 H new ATOM 0 HB2 GLN A 100 4.900 -10.022 -9.127 1.00 60.11 H new ATOM 0 HB3 GLN A 100 5.429 -9.230 -7.655 1.00 60.11 H new ATOM 0 HG2 GLN A 100 7.620 -10.504 -9.172 1.00 50.02 H new ATOM 0 HG3 GLN A 100 6.789 -9.240 -10.058 1.00 50.02 H new ATOM 0 HE21 GLN A 100 6.404 -7.141 -8.791 1.00 54.23 H new ATOM 0 HE22 GLN A 100 7.743 -6.589 -7.779 1.00 54.23 H new ATOM 1545 N LEU A 101 3.497 -11.949 -6.993 1.00 52.54 N ATOM 1546 CA LEU A 101 2.372 -12.076 -6.073 1.00 40.02 C ATOM 1547 C LEU A 101 2.790 -12.805 -4.800 1.00 74.54 C ATOM 1548 O LEU A 101 2.491 -12.363 -3.691 1.00 54.42 O ATOM 1549 CB LEU A 101 1.219 -12.821 -6.747 1.00 34.52 C ATOM 1550 CG LEU A 101 0.023 -13.155 -5.854 1.00 72.21 C ATOM 1551 CD1 LEU A 101 -0.795 -11.906 -5.569 1.00 15.53 C ATOM 1552 CD2 LEU A 101 -0.844 -14.226 -6.501 1.00 45.13 C ATOM 0 H LEU A 101 3.311 -12.290 -7.936 1.00 52.54 H new ATOM 0 HA LEU A 101 2.040 -11.074 -5.803 1.00 40.02 H new ATOM 0 HB2 LEU A 101 0.865 -12.220 -7.585 1.00 34.52 H new ATOM 0 HB3 LEU A 101 1.607 -13.751 -7.163 1.00 34.52 H new ATOM 0 HG LEU A 101 0.399 -13.543 -4.907 1.00 72.21 H new ATOM 0 HD11 LEU A 101 -1.642 -12.163 -4.932 1.00 15.53 H new ATOM 0 HD12 LEU A 101 -0.171 -11.170 -5.063 1.00 15.53 H new ATOM 0 HD13 LEU A 101 -1.160 -11.488 -6.507 1.00 15.53 H new ATOM 0 HD21 LEU A 101 -1.690 -14.451 -5.851 1.00 45.13 H new ATOM 0 HD22 LEU A 101 -1.210 -13.866 -7.462 1.00 45.13 H new ATOM 0 HD23 LEU A 101 -0.253 -15.129 -6.653 1.00 45.13 H new ATOM 1564 N LYS A 102 3.485 -13.926 -4.968 1.00 13.54 N ATOM 1565 CA LYS A 102 3.948 -14.716 -3.833 1.00 55.11 C ATOM 1566 C LYS A 102 4.966 -13.937 -3.007 1.00 11.13 C ATOM 1567 O LYS A 102 4.913 -13.938 -1.777 1.00 74.13 O ATOM 1568 CB LYS A 102 4.566 -16.029 -4.318 1.00 50.14 C ATOM 1569 CG LYS A 102 5.678 -15.838 -5.335 1.00 25.23 C ATOM 1570 CD LYS A 102 7.049 -15.930 -4.685 1.00 60.51 C ATOM 1571 CE LYS A 102 8.008 -16.761 -5.524 1.00 25.04 C ATOM 1572 NZ LYS A 102 7.977 -18.200 -5.141 1.00 1.24 N ATOM 0 H LYS A 102 3.740 -14.307 -5.879 1.00 13.54 H new ATOM 0 HA LYS A 102 3.088 -14.938 -3.201 1.00 55.11 H new ATOM 0 HB2 LYS A 102 4.959 -16.575 -3.460 1.00 50.14 H new ATOM 0 HB3 LYS A 102 3.784 -16.648 -4.758 1.00 50.14 H new ATOM 0 HG2 LYS A 102 5.593 -16.594 -6.115 1.00 25.23 H new ATOM 0 HG3 LYS A 102 5.568 -14.867 -5.818 1.00 25.23 H new ATOM 0 HD2 LYS A 102 7.457 -14.928 -4.549 1.00 60.51 H new ATOM 0 HD3 LYS A 102 6.954 -16.372 -3.693 1.00 60.51 H new ATOM 0 HE2 LYS A 102 7.749 -16.660 -6.578 1.00 25.04 H new ATOM 0 HE3 LYS A 102 9.021 -16.376 -5.406 1.00 25.04 H new ATOM 0 HZ1 LYS A 102 8.644 -18.732 -5.736 1.00 1.24 H new ATOM 0 HZ2 LYS A 102 8.249 -18.299 -4.142 1.00 1.24 H new ATOM 0 HZ3 LYS A 102 7.017 -18.575 -5.277 1.00 1.24 H new ATOM 1586 N ALA A 103 5.891 -13.272 -3.690 1.00 44.22 N ATOM 1587 CA ALA A 103 6.919 -12.486 -3.019 1.00 43.10 C ATOM 1588 C ALA A 103 6.301 -11.500 -2.034 1.00 34.34 C ATOM 1589 O ALA A 103 6.817 -11.302 -0.934 1.00 60.02 O ATOM 1590 CB ALA A 103 7.771 -11.749 -4.041 1.00 45.43 C ATOM 0 H ALA A 103 5.950 -13.262 -4.708 1.00 44.22 H new ATOM 0 HA ALA A 103 7.555 -13.170 -2.457 1.00 43.10 H new ATOM 0 HB1 ALA A 103 8.534 -11.166 -3.526 1.00 45.43 H new ATOM 0 HB2 ALA A 103 8.250 -12.470 -4.703 1.00 45.43 H new ATOM 0 HB3 ALA A 103 7.140 -11.082 -4.628 1.00 45.43 H new ATOM 1596 N GLN A 104 5.193 -10.885 -2.435 1.00 60.34 N ATOM 1597 CA GLN A 104 4.506 -9.919 -1.587 1.00 13.00 C ATOM 1598 C GLN A 104 3.332 -10.569 -0.862 1.00 31.00 C ATOM 1599 O GLN A 104 2.415 -9.885 -0.407 1.00 63.41 O ATOM 1600 CB GLN A 104 4.013 -8.736 -2.422 1.00 12.55 C ATOM 1601 CG GLN A 104 5.047 -8.213 -3.406 1.00 14.32 C ATOM 1602 CD GLN A 104 5.250 -6.714 -3.297 1.00 62.45 C ATOM 1603 OE1 GLN A 104 4.522 -5.932 -3.909 1.00 2.55 O ATOM 1604 NE2 GLN A 104 6.244 -6.307 -2.517 1.00 0.32 N ATOM 0 H GLN A 104 4.752 -11.039 -3.342 1.00 60.34 H new ATOM 0 HA GLN A 104 5.215 -9.559 -0.842 1.00 13.00 H new ATOM 0 HB2 GLN A 104 3.121 -9.036 -2.971 1.00 12.55 H new ATOM 0 HB3 GLN A 104 3.719 -7.927 -1.753 1.00 12.55 H new ATOM 0 HG2 GLN A 104 5.997 -8.718 -3.232 1.00 14.32 H new ATOM 0 HG3 GLN A 104 4.736 -8.461 -4.421 1.00 14.32 H new ATOM 0 HE21 GLN A 104 6.822 -6.991 -2.029 1.00 0.32 H new ATOM 0 HE22 GLN A 104 6.430 -5.310 -2.406 1.00 0.32 H new ATOM 1613 N ALA A 105 3.367 -11.894 -0.759 1.00 11.55 N ATOM 1614 CA ALA A 105 2.307 -12.636 -0.087 1.00 51.44 C ATOM 1615 C ALA A 105 2.864 -13.475 1.058 1.00 42.45 C ATOM 1616 O ALA A 105 2.270 -14.477 1.452 1.00 13.33 O ATOM 1617 CB ALA A 105 1.570 -13.520 -1.083 1.00 24.15 C ATOM 0 H ALA A 105 4.118 -12.475 -1.132 1.00 11.55 H new ATOM 0 HA ALA A 105 1.604 -11.917 0.334 1.00 51.44 H new ATOM 0 HB1 ALA A 105 0.781 -14.069 -0.568 1.00 24.15 H new ATOM 0 HB2 ALA A 105 1.130 -12.900 -1.864 1.00 24.15 H new ATOM 0 HB3 ALA A 105 2.270 -14.226 -1.531 1.00 24.15 H new ATOM 1623 N GLY A 106 4.011 -13.058 1.587 1.00 72.32 N ATOM 1624 CA GLY A 106 4.629 -13.784 2.681 1.00 44.31 C ATOM 1625 C GLY A 106 5.396 -15.003 2.208 1.00 1.20 C ATOM 1626 O GLY A 106 5.361 -16.053 2.847 1.00 32.51 O ATOM 0 H GLY A 106 4.522 -12.231 1.278 1.00 72.32 H new ATOM 0 HA2 GLY A 106 5.305 -13.119 3.218 1.00 44.31 H new ATOM 0 HA3 GLY A 106 3.859 -14.094 3.388 1.00 44.31 H new ATOM 1630 N GLY A 107 6.091 -14.864 1.083 1.00 51.42 N ATOM 1631 CA GLY A 107 6.858 -15.971 0.543 1.00 41.20 C ATOM 1632 C GLY A 107 8.297 -15.967 1.020 1.00 13.35 C ATOM 1633 O GLY A 107 9.164 -16.595 0.411 1.00 15.52 O ATOM 0 H GLY A 107 6.136 -14.004 0.536 1.00 51.42 H new ATOM 0 HA2 GLY A 107 6.386 -16.910 0.830 1.00 41.20 H new ATOM 0 HA3 GLY A 107 6.839 -15.925 -0.546 1.00 41.20 H new ATOM 1637 N THR A 108 8.554 -15.256 2.114 1.00 52.50 N ATOM 1638 CA THR A 108 9.898 -15.170 2.671 1.00 14.44 C ATOM 1639 C THR A 108 10.837 -14.426 1.729 1.00 63.52 C ATOM 1640 O THR A 108 11.810 -14.993 1.233 1.00 23.23 O ATOM 1641 CB THR A 108 10.477 -16.568 2.959 1.00 40.51 C ATOM 1642 OG1 THR A 108 9.431 -17.457 3.365 1.00 62.30 O ATOM 1643 CG2 THR A 108 11.541 -16.500 4.044 1.00 45.55 C ATOM 0 H THR A 108 7.849 -14.732 2.632 1.00 52.50 H new ATOM 0 HA THR A 108 9.818 -14.619 3.608 1.00 14.44 H new ATOM 0 HB THR A 108 10.937 -16.942 2.044 1.00 40.51 H new ATOM 0 HG1 THR A 108 9.807 -18.344 3.545 1.00 62.30 H new ATOM 0 HG21 THR A 108 11.935 -17.499 4.230 1.00 45.55 H new ATOM 0 HG22 THR A 108 12.350 -15.845 3.720 1.00 45.55 H new ATOM 0 HG23 THR A 108 11.101 -16.107 4.961 1.00 45.55 H new ATOM 1651 N ASN A 109 10.540 -13.154 1.486 1.00 70.11 N ATOM 1652 CA ASN A 109 11.359 -12.333 0.602 1.00 4.10 C ATOM 1653 C ASN A 109 11.570 -13.024 -0.742 1.00 1.41 C ATOM 1654 O ASN A 109 12.658 -12.970 -1.314 1.00 61.10 O ATOM 1655 CB ASN A 109 12.712 -12.038 1.254 1.00 32.10 C ATOM 1656 CG ASN A 109 12.578 -11.194 2.507 1.00 51.45 C ATOM 1657 OD1 ASN A 109 12.023 -11.638 3.512 1.00 51.34 O ATOM 1658 ND2 ASN A 109 13.087 -9.968 2.451 1.00 23.40 N ATOM 0 H ASN A 109 9.738 -12.669 1.889 1.00 70.11 H new ATOM 0 HA ASN A 109 10.833 -11.394 0.429 1.00 4.10 H new ATOM 0 HB2 ASN A 109 13.205 -12.978 1.503 1.00 32.10 H new ATOM 0 HB3 ASN A 109 13.352 -11.522 0.538 1.00 32.10 H new ATOM 0 HD21 ASN A 109 13.026 -9.353 3.263 1.00 23.40 H new ATOM 0 HD22 ASN A 109 13.538 -9.642 1.597 1.00 23.40 H new ATOM 1665 N GLU A 110 10.521 -13.671 -1.239 1.00 52.14 N ATOM 1666 CA GLU A 110 10.592 -14.372 -2.516 1.00 33.10 C ATOM 1667 C GLU A 110 11.600 -15.516 -2.453 1.00 43.54 C ATOM 1668 O GLU A 110 11.541 -16.452 -3.249 1.00 62.31 O ATOM 1669 CB GLU A 110 10.973 -13.402 -3.636 1.00 2.43 C ATOM 1670 CG GLU A 110 10.498 -13.841 -5.010 1.00 71.24 C ATOM 1671 CD GLU A 110 11.347 -13.273 -6.131 1.00 4.04 C ATOM 1672 OE1 GLU A 110 12.053 -14.059 -6.797 1.00 32.42 O ATOM 1673 OE2 GLU A 110 11.307 -12.043 -6.341 1.00 2.20 O ATOM 0 H GLU A 110 9.613 -13.725 -0.778 1.00 52.14 H new ATOM 0 HA GLU A 110 9.608 -14.789 -2.727 1.00 33.10 H new ATOM 0 HB2 GLU A 110 10.555 -12.421 -3.413 1.00 2.43 H new ATOM 0 HB3 GLU A 110 12.057 -13.290 -3.655 1.00 2.43 H new ATOM 0 HG2 GLU A 110 10.512 -14.930 -5.064 1.00 71.24 H new ATOM 0 HG3 GLU A 110 9.463 -13.529 -5.149 1.00 71.24 H new TER 1680 GLU A 110