USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 825 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 22 THR OG1 : rot -139:sc= 0.0235 USER MOD Set 1.2: A 121 CYS SG : rot -136:sc= -0.333 USER MOD Set 2.1: A 42 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 THR OG1 : rot 130:sc= 0.263 USER MOD Single : A 13 ASN : amide:sc= -0.0668 X(o=-0.067,f=-0.16) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) USER MOD Single : A 39 MET CE :methyl -105:sc= -0.175 (180deg=-1.99!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 69 SER OG : rot 32:sc= 0.00716 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 71:sc= 1.28 USER MOD Single : A 78 MET CE :methyl 173:sc= 0 (180deg=-0.0273) USER MOD Single : A 82 THR OG1 : rot 73:sc= 0.544 USER MOD Single : A 84 SER OG : rot 72:sc= 0.0727 USER MOD Single : A 87 THR OG1 : rot 73:sc= 0.64 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -94:sc= 1.19 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 5.859 5.274 -8.019 1.00 55.12 N ATOM 56 CA GLU A 6 6.820 5.048 -9.092 1.00 0.11 C ATOM 57 C GLU A 6 6.667 6.097 -10.190 1.00 34.31 C ATOM 58 O GLU A 6 7.602 6.825 -10.523 1.00 14.24 O ATOM 59 CB GLU A 6 6.641 3.647 -9.681 1.00 12.24 C ATOM 60 CG GLU A 6 6.999 3.556 -11.154 1.00 63.14 C ATOM 61 CD GLU A 6 8.405 4.044 -11.444 1.00 64.01 C ATOM 62 OE1 GLU A 6 9.295 3.824 -10.596 1.00 5.32 O ATOM 63 OE2 GLU A 6 8.616 4.645 -12.518 1.00 11.31 O ATOM 0 HA GLU A 6 7.822 5.132 -8.671 1.00 0.11 H new ATOM 0 HB2 GLU A 6 7.259 2.945 -9.121 1.00 12.24 H new ATOM 0 HB3 GLU A 6 5.605 3.336 -9.548 1.00 12.24 H new ATOM 0 HG2 GLU A 6 6.902 2.522 -11.484 1.00 63.14 H new ATOM 0 HG3 GLU A 6 6.288 4.144 -11.734 1.00 63.14 H new ATOM 70 N PRO A 7 5.459 6.175 -10.768 1.00 14.45 N ATOM 71 CA PRO A 7 5.153 7.131 -11.837 1.00 21.24 C ATOM 72 C PRO A 7 5.115 8.570 -11.334 1.00 42.14 C ATOM 73 O PRO A 7 5.286 9.513 -12.108 1.00 40.22 O ATOM 74 CB PRO A 7 3.766 6.695 -12.316 1.00 43.11 C ATOM 75 CG PRO A 7 3.160 6.005 -11.144 1.00 33.44 C ATOM 76 CD PRO A 7 4.298 5.338 -10.421 1.00 53.31 C ATOM 0 HA PRO A 7 5.911 7.124 -12.620 1.00 21.24 H new ATOM 0 HB2 PRO A 7 3.167 7.551 -12.625 1.00 43.11 H new ATOM 0 HB3 PRO A 7 3.836 6.028 -13.175 1.00 43.11 H new ATOM 0 HG2 PRO A 7 2.648 6.715 -10.495 1.00 33.44 H new ATOM 0 HG3 PRO A 7 2.418 5.273 -11.463 1.00 33.44 H new ATOM 0 HD2 PRO A 7 4.129 5.311 -9.344 1.00 53.31 H new ATOM 0 HD3 PRO A 7 4.433 4.307 -10.749 1.00 53.31 H new ATOM 84 N LEU A 8 4.891 8.733 -10.035 1.00 70.32 N ATOM 85 CA LEU A 8 4.831 10.058 -9.429 1.00 43.31 C ATOM 86 C LEU A 8 6.195 10.740 -9.476 1.00 53.41 C ATOM 87 O LEU A 8 6.302 11.951 -9.278 1.00 23.24 O ATOM 88 CB LEU A 8 4.349 9.957 -7.981 1.00 55.31 C ATOM 89 CG LEU A 8 3.743 11.229 -7.385 1.00 73.44 C ATOM 90 CD1 LEU A 8 2.412 10.923 -6.715 1.00 62.44 C ATOM 91 CD2 LEU A 8 4.707 11.865 -6.395 1.00 13.31 C ATOM 0 H LEU A 8 4.748 7.964 -9.381 1.00 70.32 H new ATOM 0 HA LEU A 8 4.124 10.660 -10.000 1.00 43.31 H new ATOM 0 HB2 LEU A 8 3.606 9.162 -7.921 1.00 55.31 H new ATOM 0 HB3 LEU A 8 5.191 9.654 -7.359 1.00 55.31 H new ATOM 0 HG LEU A 8 3.564 11.937 -8.194 1.00 73.44 H new ATOM 0 HD11 LEU A 8 1.996 11.840 -6.297 1.00 62.44 H new ATOM 0 HD12 LEU A 8 1.720 10.513 -7.451 1.00 62.44 H new ATOM 0 HD13 LEU A 8 2.565 10.197 -5.917 1.00 62.44 H new ATOM 0 HD21 LEU A 8 4.260 12.769 -5.981 1.00 13.31 H new ATOM 0 HD22 LEU A 8 4.917 11.162 -5.589 1.00 13.31 H new ATOM 0 HD23 LEU A 8 5.636 12.121 -6.905 1.00 13.31 H new ATOM 103 N PHE A 9 7.234 9.956 -9.742 1.00 41.22 N ATOM 104 CA PHE A 9 8.591 10.485 -9.817 1.00 22.42 C ATOM 105 C PHE A 9 8.725 11.481 -10.965 1.00 35.20 C ATOM 106 O PHE A 9 9.575 12.371 -10.934 1.00 20.43 O ATOM 107 CB PHE A 9 9.596 9.345 -9.996 1.00 71.35 C ATOM 108 CG PHE A 9 10.918 9.793 -10.551 1.00 30.32 C ATOM 109 CD1 PHE A 9 11.834 10.452 -9.746 1.00 72.25 C ATOM 110 CD2 PHE A 9 11.245 9.554 -11.876 1.00 3.32 C ATOM 111 CE1 PHE A 9 13.051 10.866 -10.254 1.00 73.34 C ATOM 112 CE2 PHE A 9 12.461 9.966 -12.389 1.00 70.42 C ATOM 113 CZ PHE A 9 13.365 10.621 -11.577 1.00 2.31 C ATOM 0 H PHE A 9 7.163 8.952 -9.909 1.00 41.22 H new ATOM 0 HA PHE A 9 8.803 11.005 -8.883 1.00 22.42 H new ATOM 0 HB2 PHE A 9 9.760 8.862 -9.033 1.00 71.35 H new ATOM 0 HB3 PHE A 9 9.168 8.595 -10.660 1.00 71.35 H new ATOM 0 HD1 PHE A 9 11.594 10.644 -8.711 1.00 72.25 H new ATOM 0 HD2 PHE A 9 10.542 9.040 -12.515 1.00 3.32 H new ATOM 0 HE1 PHE A 9 13.756 11.380 -9.617 1.00 73.34 H new ATOM 0 HE2 PHE A 9 12.703 9.776 -13.424 1.00 70.42 H new ATOM 0 HZ PHE A 9 14.316 10.941 -11.975 1.00 2.31 H new ATOM 123 N TYR A 10 7.879 11.324 -11.977 1.00 52.12 N ATOM 124 CA TYR A 10 7.903 12.207 -13.137 1.00 63.03 C ATOM 125 C TYR A 10 7.272 13.556 -12.808 1.00 51.34 C ATOM 126 O TYR A 10 7.914 14.601 -12.922 1.00 23.14 O ATOM 127 CB TYR A 10 7.168 11.560 -14.312 1.00 50.23 C ATOM 128 CG TYR A 10 7.847 11.778 -15.646 1.00 2.15 C ATOM 129 CD1 TYR A 10 9.070 11.183 -15.930 1.00 42.50 C ATOM 130 CD2 TYR A 10 7.265 12.578 -16.621 1.00 50.02 C ATOM 131 CE1 TYR A 10 9.694 11.381 -17.146 1.00 65.44 C ATOM 132 CE2 TYR A 10 7.881 12.780 -17.841 1.00 64.51 C ATOM 133 CZ TYR A 10 9.096 12.179 -18.099 1.00 1.13 C ATOM 134 OH TYR A 10 9.714 12.377 -19.312 1.00 61.22 O ATOM 0 H TYR A 10 7.168 10.594 -12.018 1.00 52.12 H new ATOM 0 HA TYR A 10 8.944 12.372 -13.415 1.00 63.03 H new ATOM 0 HB2 TYR A 10 7.080 10.489 -14.129 1.00 50.23 H new ATOM 0 HB3 TYR A 10 6.155 11.959 -14.360 1.00 50.23 H new ATOM 0 HD1 TYR A 10 9.540 10.555 -15.188 1.00 42.50 H new ATOM 0 HD2 TYR A 10 6.314 13.050 -16.422 1.00 50.02 H new ATOM 0 HE1 TYR A 10 10.646 10.913 -17.350 1.00 65.44 H new ATOM 0 HE2 TYR A 10 7.414 13.405 -18.588 1.00 64.51 H new ATOM 0 HH TYR A 10 10.249 11.588 -19.539 1.00 61.22 H new ATOM 144 N THR A 11 6.007 13.527 -12.399 1.00 62.43 N ATOM 145 CA THR A 11 5.287 14.746 -12.054 1.00 32.50 C ATOM 146 C THR A 11 6.062 15.572 -11.034 1.00 35.23 C ATOM 147 O THR A 11 6.126 16.797 -11.134 1.00 40.41 O ATOM 148 CB THR A 11 3.889 14.431 -11.488 1.00 22.10 C ATOM 149 OG1 THR A 11 3.261 15.636 -11.037 1.00 32.24 O ATOM 150 CG2 THR A 11 3.982 13.440 -10.338 1.00 32.43 C ATOM 0 H THR A 11 5.460 12.672 -12.299 1.00 62.43 H new ATOM 0 HA THR A 11 5.177 15.320 -12.974 1.00 32.50 H new ATOM 0 HB THR A 11 3.291 13.985 -12.283 1.00 22.10 H new ATOM 0 HG1 THR A 11 2.359 15.696 -11.415 1.00 32.24 H new ATOM 0 HG21 THR A 11 2.983 13.233 -9.955 1.00 32.43 H new ATOM 0 HG22 THR A 11 4.434 12.513 -10.692 1.00 32.43 H new ATOM 0 HG23 THR A 11 4.596 13.863 -9.542 1.00 32.43 H new ATOM 158 N ILE A 12 6.648 14.894 -10.053 1.00 64.23 N ATOM 159 CA ILE A 12 7.421 15.566 -9.016 1.00 15.21 C ATOM 160 C ILE A 12 8.615 16.305 -9.611 1.00 34.20 C ATOM 161 O ILE A 12 8.898 17.444 -9.244 1.00 2.21 O ATOM 162 CB ILE A 12 7.924 14.571 -7.954 1.00 62.53 C ATOM 163 CG1 ILE A 12 6.801 14.223 -6.976 1.00 15.14 C ATOM 164 CG2 ILE A 12 9.121 15.147 -7.212 1.00 54.44 C ATOM 165 CD1 ILE A 12 6.422 15.366 -6.060 1.00 11.11 C ATOM 0 H ILE A 12 6.602 13.880 -9.955 1.00 64.23 H new ATOM 0 HA ILE A 12 6.753 16.284 -8.541 1.00 15.21 H new ATOM 0 HB ILE A 12 8.239 13.656 -8.456 1.00 62.53 H new ATOM 0 HG12 ILE A 12 5.921 13.913 -7.540 1.00 15.14 H new ATOM 0 HG13 ILE A 12 7.108 13.370 -6.371 1.00 15.14 H new ATOM 0 HG21 ILE A 12 9.465 14.432 -6.465 1.00 54.44 H new ATOM 0 HG22 ILE A 12 9.926 15.347 -7.919 1.00 54.44 H new ATOM 0 HG23 ILE A 12 8.831 16.075 -6.719 1.00 54.44 H new ATOM 0 HD11 ILE A 12 5.620 15.048 -5.394 1.00 11.11 H new ATOM 0 HD12 ILE A 12 7.289 15.661 -5.469 1.00 11.11 H new ATOM 0 HD13 ILE A 12 6.084 16.213 -6.656 1.00 11.11 H new ATOM 177 N ASN A 13 9.310 15.648 -10.533 1.00 60.35 N ATOM 178 CA ASN A 13 10.473 16.243 -11.181 1.00 64.53 C ATOM 179 C ASN A 13 10.062 17.411 -12.072 1.00 20.11 C ATOM 180 O ASN A 13 10.903 18.196 -12.513 1.00 33.03 O ATOM 181 CB ASN A 13 11.215 15.191 -12.010 1.00 13.41 C ATOM 182 CG ASN A 13 12.530 15.710 -12.559 1.00 53.21 C ATOM 183 OD1 ASN A 13 12.591 16.215 -13.680 1.00 70.44 O ATOM 184 ND2 ASN A 13 13.590 15.588 -11.769 1.00 60.21 N ATOM 0 H ASN A 13 9.088 14.704 -10.848 1.00 60.35 H new ATOM 0 HA ASN A 13 11.138 16.619 -10.403 1.00 64.53 H new ATOM 0 HB2 ASN A 13 11.403 14.313 -11.393 1.00 13.41 H new ATOM 0 HB3 ASN A 13 10.581 14.870 -12.836 1.00 13.41 H new ATOM 0 HD21 ASN A 13 14.502 15.920 -12.084 1.00 60.21 H new ATOM 0 HD22 ASN A 13 13.493 15.163 -10.847 1.00 60.21 H new ATOM 191 N LEU A 14 8.764 17.521 -12.332 1.00 60.53 N ATOM 192 CA LEU A 14 8.240 18.594 -13.170 1.00 33.30 C ATOM 193 C LEU A 14 7.906 19.824 -12.333 1.00 2.41 C ATOM 194 O LEU A 14 7.891 20.946 -12.840 1.00 0.41 O ATOM 195 CB LEU A 14 6.993 18.120 -13.920 1.00 23.45 C ATOM 196 CG LEU A 14 6.966 18.401 -15.422 1.00 42.22 C ATOM 197 CD1 LEU A 14 5.891 17.568 -16.102 1.00 52.10 C ATOM 198 CD2 LEU A 14 6.740 19.883 -15.683 1.00 53.21 C ATOM 0 H LEU A 14 8.055 16.881 -11.975 1.00 60.53 H new ATOM 0 HA LEU A 14 9.010 18.866 -13.892 1.00 33.30 H new ATOM 0 HB2 LEU A 14 6.890 17.045 -13.770 1.00 23.45 H new ATOM 0 HB3 LEU A 14 6.120 18.590 -13.467 1.00 23.45 H new ATOM 0 HG LEU A 14 7.932 18.122 -15.842 1.00 42.22 H new ATOM 0 HD11 LEU A 14 5.887 17.782 -17.171 1.00 52.10 H new ATOM 0 HD12 LEU A 14 6.097 16.509 -15.944 1.00 52.10 H new ATOM 0 HD13 LEU A 14 4.917 17.815 -15.679 1.00 52.10 H new ATOM 0 HD21 LEU A 14 6.724 20.065 -16.758 1.00 53.21 H new ATOM 0 HD22 LEU A 14 5.788 20.188 -15.249 1.00 53.21 H new ATOM 0 HD23 LEU A 14 7.546 20.459 -15.230 1.00 53.21 H new ATOM 210 N ILE A 15 7.642 19.606 -11.049 1.00 52.41 N ATOM 211 CA ILE A 15 7.312 20.698 -10.141 1.00 42.25 C ATOM 212 C ILE A 15 8.566 21.448 -9.705 1.00 23.21 C ATOM 213 O ILE A 15 8.530 22.656 -9.471 1.00 55.34 O ATOM 214 CB ILE A 15 6.572 20.187 -8.891 1.00 50.14 C ATOM 215 CG1 ILE A 15 5.268 19.493 -9.292 1.00 4.31 C ATOM 216 CG2 ILE A 15 6.294 21.336 -7.934 1.00 3.05 C ATOM 217 CD1 ILE A 15 4.313 20.391 -10.046 1.00 13.44 C ATOM 0 H ILE A 15 7.650 18.683 -10.614 1.00 52.41 H new ATOM 0 HA ILE A 15 6.657 21.376 -10.688 1.00 42.25 H new ATOM 0 HB ILE A 15 7.206 19.461 -8.382 1.00 50.14 H new ATOM 0 HG12 ILE A 15 5.502 18.626 -9.909 1.00 4.31 H new ATOM 0 HG13 ILE A 15 4.773 19.121 -8.395 1.00 4.31 H new ATOM 0 HG21 ILE A 15 5.770 20.959 -7.055 1.00 3.05 H new ATOM 0 HG22 ILE A 15 7.236 21.791 -7.628 1.00 3.05 H new ATOM 0 HG23 ILE A 15 5.676 22.083 -8.432 1.00 3.05 H new ATOM 0 HD11 ILE A 15 3.411 19.833 -10.298 1.00 13.44 H new ATOM 0 HD12 ILE A 15 4.049 21.246 -9.423 1.00 13.44 H new ATOM 0 HD13 ILE A 15 4.790 20.742 -10.961 1.00 13.44 H new ATOM 229 N ILE A 16 9.675 20.723 -9.598 1.00 40.25 N ATOM 230 CA ILE A 16 10.941 21.320 -9.193 1.00 43.51 C ATOM 231 C ILE A 16 11.269 22.543 -10.043 1.00 4.41 C ATOM 232 O ILE A 16 11.457 23.650 -9.537 1.00 21.14 O ATOM 233 CB ILE A 16 12.099 20.311 -9.298 1.00 63.44 C ATOM 234 CG1 ILE A 16 12.247 19.532 -7.989 1.00 54.24 C ATOM 235 CG2 ILE A 16 13.397 21.026 -9.644 1.00 55.31 C ATOM 236 CD1 ILE A 16 12.810 20.359 -6.855 1.00 22.21 C ATOM 0 H ILE A 16 9.722 19.722 -9.786 1.00 40.25 H new ATOM 0 HA ILE A 16 10.828 21.623 -8.152 1.00 43.51 H new ATOM 0 HB ILE A 16 11.873 19.604 -10.096 1.00 63.44 H new ATOM 0 HG12 ILE A 16 11.272 19.143 -7.695 1.00 54.24 H new ATOM 0 HG13 ILE A 16 12.896 18.673 -8.158 1.00 54.24 H new ATOM 0 HG21 ILE A 16 14.206 20.298 -9.714 1.00 55.31 H new ATOM 0 HG22 ILE A 16 13.286 21.539 -10.599 1.00 55.31 H new ATOM 0 HG23 ILE A 16 13.630 21.753 -8.866 1.00 55.31 H new ATOM 0 HD11 ILE A 16 12.887 19.743 -5.959 1.00 22.21 H new ATOM 0 HD12 ILE A 16 13.799 20.727 -7.129 1.00 22.21 H new ATOM 0 HD13 ILE A 16 12.150 21.204 -6.658 1.00 22.21 H new ATOM 248 N PRO A 17 11.339 22.342 -11.367 1.00 53.32 N ATOM 249 CA PRO A 17 11.642 23.418 -12.316 1.00 72.54 C ATOM 250 C PRO A 17 10.505 24.427 -12.430 1.00 40.55 C ATOM 251 O PRO A 17 10.739 25.621 -12.627 1.00 65.51 O ATOM 252 CB PRO A 17 11.834 22.677 -13.642 1.00 71.31 C ATOM 253 CG PRO A 17 11.042 21.424 -13.494 1.00 72.31 C ATOM 254 CD PRO A 17 11.126 21.050 -12.040 1.00 62.21 C ATOM 0 HA PRO A 17 12.510 24.001 -12.008 1.00 72.54 H new ATOM 0 HB2 PRO A 17 11.479 23.272 -14.483 1.00 71.31 H new ATOM 0 HB3 PRO A 17 12.886 22.461 -13.826 1.00 71.31 H new ATOM 0 HG2 PRO A 17 10.007 21.579 -13.798 1.00 72.31 H new ATOM 0 HG3 PRO A 17 11.444 20.631 -14.125 1.00 72.31 H new ATOM 0 HD2 PRO A 17 10.213 20.564 -11.697 1.00 62.21 H new ATOM 0 HD3 PRO A 17 11.946 20.358 -11.850 1.00 62.21 H new ATOM 262 N CYS A 18 9.275 23.943 -12.306 1.00 34.24 N ATOM 263 CA CYS A 18 8.101 24.804 -12.395 1.00 52.02 C ATOM 264 C CYS A 18 8.225 25.993 -11.448 1.00 22.11 C ATOM 265 O CYS A 18 8.141 27.147 -11.868 1.00 74.15 O ATOM 266 CB CYS A 18 6.834 24.010 -12.073 1.00 21.02 C ATOM 267 SG CYS A 18 5.298 24.909 -12.392 1.00 1.04 S ATOM 0 H CYS A 18 9.064 22.958 -12.143 1.00 34.24 H new ATOM 0 HA CYS A 18 8.035 25.181 -13.416 1.00 52.02 H new ATOM 0 HB2 CYS A 18 6.834 23.092 -12.661 1.00 21.02 H new ATOM 0 HB3 CYS A 18 6.859 23.716 -11.024 1.00 21.02 H new ATOM 0 HG CYS A 18 4.283 24.154 -12.091 1.00 1.04 H new ATOM 273 N VAL A 19 8.425 25.703 -10.166 1.00 41.31 N ATOM 274 CA VAL A 19 8.560 26.748 -9.158 1.00 44.23 C ATOM 275 C VAL A 19 9.879 27.497 -9.316 1.00 61.25 C ATOM 276 O VAL A 19 9.967 28.690 -9.025 1.00 51.41 O ATOM 277 CB VAL A 19 8.480 26.168 -7.734 1.00 31.22 C ATOM 278 CG1 VAL A 19 7.117 25.539 -7.490 1.00 14.15 C ATOM 279 CG2 VAL A 19 9.592 25.154 -7.508 1.00 53.52 C ATOM 0 H VAL A 19 8.497 24.753 -9.801 1.00 41.31 H new ATOM 0 HA VAL A 19 7.732 27.441 -9.307 1.00 44.23 H new ATOM 0 HB VAL A 19 8.611 26.982 -7.021 1.00 31.22 H new ATOM 0 HG11 VAL A 19 7.079 25.134 -6.479 1.00 14.15 H new ATOM 0 HG12 VAL A 19 6.341 26.295 -7.608 1.00 14.15 H new ATOM 0 HG13 VAL A 19 6.953 24.736 -8.209 1.00 14.15 H new ATOM 0 HG21 VAL A 19 9.520 24.754 -6.496 1.00 53.52 H new ATOM 0 HG22 VAL A 19 9.494 24.341 -8.227 1.00 53.52 H new ATOM 0 HG23 VAL A 19 10.559 25.640 -7.638 1.00 53.52 H new ATOM 289 N LEU A 20 10.903 26.789 -9.780 1.00 71.31 N ATOM 290 CA LEU A 20 12.219 27.386 -9.978 1.00 50.03 C ATOM 291 C LEU A 20 12.159 28.503 -11.015 1.00 4.31 C ATOM 292 O LEU A 20 12.719 29.581 -10.813 1.00 10.44 O ATOM 293 CB LEU A 20 13.224 26.320 -10.418 1.00 72.21 C ATOM 294 CG LEU A 20 14.701 26.682 -10.257 1.00 34.14 C ATOM 295 CD1 LEU A 20 15.127 26.550 -8.803 1.00 15.14 C ATOM 296 CD2 LEU A 20 15.566 25.804 -11.149 1.00 54.23 C ATOM 0 H LEU A 20 10.847 25.801 -10.026 1.00 71.31 H new ATOM 0 HA LEU A 20 12.544 27.813 -9.029 1.00 50.03 H new ATOM 0 HB2 LEU A 20 13.030 25.410 -9.850 1.00 72.21 H new ATOM 0 HB3 LEU A 20 13.040 26.087 -11.467 1.00 72.21 H new ATOM 0 HG LEU A 20 14.836 27.720 -10.562 1.00 34.14 H new ATOM 0 HD11 LEU A 20 16.181 26.812 -8.707 1.00 15.14 H new ATOM 0 HD12 LEU A 20 14.529 27.221 -8.186 1.00 15.14 H new ATOM 0 HD13 LEU A 20 14.977 25.523 -8.472 1.00 15.14 H new ATOM 0 HD21 LEU A 20 16.614 26.076 -11.021 1.00 54.23 H new ATOM 0 HD22 LEU A 20 15.427 24.758 -10.875 1.00 54.23 H new ATOM 0 HD23 LEU A 20 15.278 25.948 -12.190 1.00 54.23 H new ATOM 308 N ILE A 21 11.476 28.239 -12.123 1.00 62.05 N ATOM 309 CA ILE A 21 11.341 29.223 -13.190 1.00 11.42 C ATOM 310 C ILE A 21 10.567 30.448 -12.713 1.00 22.23 C ATOM 311 O ILE A 21 10.898 31.581 -13.063 1.00 41.20 O ATOM 312 CB ILE A 21 10.630 28.628 -14.419 1.00 73.41 C ATOM 313 CG1 ILE A 21 11.425 27.443 -14.972 1.00 4.33 C ATOM 314 CG2 ILE A 21 10.442 29.692 -15.490 1.00 15.13 C ATOM 315 CD1 ILE A 21 10.556 26.342 -15.537 1.00 51.43 C ATOM 0 H ILE A 21 11.007 27.352 -12.306 1.00 62.05 H new ATOM 0 HA ILE A 21 12.350 29.521 -13.474 1.00 11.42 H new ATOM 0 HB ILE A 21 9.647 28.271 -14.113 1.00 73.41 H new ATOM 0 HG12 ILE A 21 12.098 27.800 -15.752 1.00 4.33 H new ATOM 0 HG13 ILE A 21 12.048 27.032 -14.178 1.00 4.33 H new ATOM 0 HG21 ILE A 21 9.938 29.255 -16.352 1.00 15.13 H new ATOM 0 HG22 ILE A 21 9.838 30.507 -15.091 1.00 15.13 H new ATOM 0 HG23 ILE A 21 11.415 30.077 -15.795 1.00 15.13 H new ATOM 0 HD11 ILE A 21 11.187 25.536 -15.910 1.00 51.43 H new ATOM 0 HD12 ILE A 21 9.901 25.958 -14.755 1.00 51.43 H new ATOM 0 HD13 ILE A 21 9.952 26.738 -16.354 1.00 51.43 H new ATOM 327 N THR A 22 9.535 30.213 -11.909 1.00 32.42 N ATOM 328 CA THR A 22 8.714 31.296 -11.382 1.00 72.52 C ATOM 329 C THR A 22 9.564 32.317 -10.635 1.00 61.23 C ATOM 330 O THR A 22 9.493 33.515 -10.907 1.00 44.24 O ATOM 331 CB THR A 22 7.622 30.763 -10.436 1.00 15.25 C ATOM 332 OG1 THR A 22 7.042 29.572 -10.978 1.00 35.52 O ATOM 333 CG2 THR A 22 6.537 31.808 -10.219 1.00 21.22 C ATOM 0 H THR A 22 9.248 29.282 -11.608 1.00 32.42 H new ATOM 0 HA THR A 22 8.240 31.778 -12.237 1.00 72.52 H new ATOM 0 HB THR A 22 8.084 30.536 -9.475 1.00 15.25 H new ATOM 0 HG1 THR A 22 6.072 29.588 -10.838 1.00 35.52 H new ATOM 0 HG21 THR A 22 5.777 31.409 -9.548 1.00 21.22 H new ATOM 0 HG22 THR A 22 6.977 32.703 -9.779 1.00 21.22 H new ATOM 0 HG23 THR A 22 6.080 32.062 -11.175 1.00 21.22 H new ATOM 341 N SER A 23 10.368 31.835 -9.693 1.00 61.31 N ATOM 342 CA SER A 23 11.230 32.707 -8.904 1.00 64.03 C ATOM 343 C SER A 23 12.102 33.572 -9.810 1.00 23.24 C ATOM 344 O SER A 23 12.281 34.765 -9.563 1.00 52.54 O ATOM 345 CB SER A 23 12.112 31.877 -7.969 1.00 42.40 C ATOM 346 OG SER A 23 13.462 32.304 -8.029 1.00 41.11 O ATOM 0 H SER A 23 10.440 30.845 -9.458 1.00 61.31 H new ATOM 0 HA SER A 23 10.595 33.361 -8.307 1.00 64.03 H new ATOM 0 HB2 SER A 23 11.745 31.963 -6.946 1.00 42.40 H new ATOM 0 HB3 SER A 23 12.048 30.824 -8.243 1.00 42.40 H new ATOM 0 HG SER A 23 14.005 31.759 -7.421 1.00 41.11 H new ATOM 352 N LEU A 24 12.643 32.961 -10.858 1.00 42.30 N ATOM 353 CA LEU A 24 13.497 33.674 -11.802 1.00 2.02 C ATOM 354 C LEU A 24 12.745 34.832 -12.449 1.00 42.51 C ATOM 355 O LEU A 24 13.268 35.941 -12.558 1.00 11.33 O ATOM 356 CB LEU A 24 14.009 32.717 -12.880 1.00 52.21 C ATOM 357 CG LEU A 24 15.451 32.235 -12.720 1.00 41.12 C ATOM 358 CD1 LEU A 24 15.544 31.181 -11.628 1.00 35.10 C ATOM 359 CD2 LEU A 24 15.980 31.688 -14.038 1.00 72.01 C ATOM 0 H LEU A 24 12.506 31.974 -11.076 1.00 42.30 H new ATOM 0 HA LEU A 24 14.346 34.079 -11.252 1.00 2.02 H new ATOM 0 HB2 LEU A 24 13.356 31.845 -12.903 1.00 52.21 H new ATOM 0 HB3 LEU A 24 13.917 33.209 -13.848 1.00 52.21 H new ATOM 0 HG LEU A 24 16.067 33.085 -12.429 1.00 41.12 H new ATOM 0 HD11 LEU A 24 16.578 30.850 -11.529 1.00 35.10 H new ATOM 0 HD12 LEU A 24 15.207 31.606 -10.683 1.00 35.10 H new ATOM 0 HD13 LEU A 24 14.914 30.330 -11.889 1.00 35.10 H new ATOM 0 HD21 LEU A 24 17.008 31.350 -13.905 1.00 72.01 H new ATOM 0 HD22 LEU A 24 15.361 30.850 -14.359 1.00 72.01 H new ATOM 0 HD23 LEU A 24 15.951 32.472 -14.795 1.00 72.01 H new ATOM 371 N ALA A 25 11.515 34.568 -12.876 1.00 33.34 N ATOM 372 CA ALA A 25 10.689 35.589 -13.508 1.00 41.01 C ATOM 373 C ALA A 25 10.352 36.707 -12.528 1.00 1.34 C ATOM 374 O ALA A 25 10.323 37.882 -12.897 1.00 64.51 O ATOM 375 CB ALA A 25 9.415 34.969 -14.063 1.00 21.03 C ATOM 0 H ALA A 25 11.068 33.655 -12.796 1.00 33.34 H new ATOM 0 HA ALA A 25 11.257 36.022 -14.331 1.00 41.01 H new ATOM 0 HB1 ALA A 25 8.808 35.743 -14.532 1.00 21.03 H new ATOM 0 HB2 ALA A 25 9.672 34.211 -14.803 1.00 21.03 H new ATOM 0 HB3 ALA A 25 8.852 34.508 -13.252 1.00 21.03 H new ATOM 381 N ILE A 26 10.097 36.335 -11.278 1.00 2.12 N ATOM 382 CA ILE A 26 9.763 37.308 -10.245 1.00 35.51 C ATOM 383 C ILE A 26 10.913 38.282 -10.014 1.00 35.10 C ATOM 384 O ILE A 26 10.700 39.485 -9.860 1.00 52.40 O ATOM 385 CB ILE A 26 9.414 36.617 -8.913 1.00 64.11 C ATOM 386 CG1 ILE A 26 8.109 35.831 -9.047 1.00 74.31 C ATOM 387 CG2 ILE A 26 9.308 37.644 -7.796 1.00 23.03 C ATOM 388 CD1 ILE A 26 7.824 34.927 -7.868 1.00 73.11 C ATOM 0 H ILE A 26 10.115 35.367 -10.956 1.00 2.12 H new ATOM 0 HA ILE A 26 8.891 37.858 -10.599 1.00 35.51 H new ATOM 0 HB ILE A 26 10.212 35.918 -8.663 1.00 64.11 H new ATOM 0 HG12 ILE A 26 7.283 36.532 -9.165 1.00 74.31 H new ATOM 0 HG13 ILE A 26 8.149 35.229 -9.955 1.00 74.31 H new ATOM 0 HG21 ILE A 26 9.061 37.141 -6.861 1.00 23.03 H new ATOM 0 HG22 ILE A 26 10.260 38.163 -7.688 1.00 23.03 H new ATOM 0 HG23 ILE A 26 8.527 38.365 -8.037 1.00 23.03 H new ATOM 0 HD11 ILE A 26 6.883 34.401 -8.032 1.00 73.11 H new ATOM 0 HD12 ILE A 26 8.631 34.202 -7.762 1.00 73.11 H new ATOM 0 HD13 ILE A 26 7.752 35.525 -6.960 1.00 73.11 H new ATOM 400 N LEU A 27 12.132 37.755 -9.993 1.00 32.04 N ATOM 401 CA LEU A 27 13.318 38.578 -9.783 1.00 14.35 C ATOM 402 C LEU A 27 13.535 39.529 -10.955 1.00 51.41 C ATOM 403 O LEU A 27 14.063 40.629 -10.787 1.00 22.41 O ATOM 404 CB LEU A 27 14.551 37.693 -9.594 1.00 74.21 C ATOM 405 CG LEU A 27 15.186 37.714 -8.203 1.00 51.04 C ATOM 406 CD1 LEU A 27 15.829 36.372 -7.890 1.00 31.02 C ATOM 407 CD2 LEU A 27 16.210 38.835 -8.102 1.00 21.11 C ATOM 0 H LEU A 27 12.325 36.761 -10.119 1.00 32.04 H new ATOM 0 HA LEU A 27 13.163 39.171 -8.882 1.00 14.35 H new ATOM 0 HB2 LEU A 27 14.275 36.665 -9.830 1.00 74.21 H new ATOM 0 HB3 LEU A 27 15.305 37.996 -10.320 1.00 74.21 H new ATOM 0 HG LEU A 27 14.402 37.898 -7.469 1.00 51.04 H new ATOM 0 HD11 LEU A 27 16.276 36.406 -6.896 1.00 31.02 H new ATOM 0 HD12 LEU A 27 15.071 35.589 -7.921 1.00 31.02 H new ATOM 0 HD13 LEU A 27 16.602 36.158 -8.628 1.00 31.02 H new ATOM 0 HD21 LEU A 27 16.652 38.835 -7.106 1.00 21.11 H new ATOM 0 HD22 LEU A 27 16.992 38.682 -8.846 1.00 21.11 H new ATOM 0 HD23 LEU A 27 15.721 39.792 -8.282 1.00 21.11 H new ATOM 419 N VAL A 28 13.122 39.100 -12.143 1.00 73.13 N ATOM 420 CA VAL A 28 13.268 39.914 -13.344 1.00 10.22 C ATOM 421 C VAL A 28 12.375 41.148 -13.283 1.00 1.42 C ATOM 422 O VAL A 28 12.759 42.228 -13.733 1.00 13.31 O ATOM 423 CB VAL A 28 12.927 39.110 -14.612 1.00 64.05 C ATOM 424 CG1 VAL A 28 12.663 40.045 -15.783 1.00 22.02 C ATOM 425 CG2 VAL A 28 14.048 38.135 -14.941 1.00 75.51 C ATOM 0 H VAL A 28 12.683 38.193 -12.300 1.00 73.13 H new ATOM 0 HA VAL A 28 14.311 40.226 -13.390 1.00 10.22 H new ATOM 0 HB VAL A 28 12.019 38.536 -14.424 1.00 64.05 H new ATOM 0 HG11 VAL A 28 12.424 39.459 -16.670 1.00 22.02 H new ATOM 0 HG12 VAL A 28 11.825 40.700 -15.544 1.00 22.02 H new ATOM 0 HG13 VAL A 28 13.551 40.647 -15.975 1.00 22.02 H new ATOM 0 HG21 VAL A 28 13.791 37.575 -15.840 1.00 75.51 H new ATOM 0 HG22 VAL A 28 14.973 38.687 -15.110 1.00 75.51 H new ATOM 0 HG23 VAL A 28 14.185 37.444 -14.109 1.00 75.51 H new ATOM 435 N PHE A 29 11.182 40.982 -12.722 1.00 72.53 N ATOM 436 CA PHE A 29 10.233 42.082 -12.602 1.00 52.23 C ATOM 437 C PHE A 29 10.687 43.079 -11.540 1.00 21.54 C ATOM 438 O PHE A 29 10.352 44.262 -11.599 1.00 21.23 O ATOM 439 CB PHE A 29 8.841 41.548 -12.256 1.00 4.54 C ATOM 440 CG PHE A 29 7.850 41.687 -13.375 1.00 40.14 C ATOM 441 CD1 PHE A 29 7.094 42.840 -13.510 1.00 51.41 C ATOM 442 CD2 PHE A 29 7.675 40.664 -14.294 1.00 14.54 C ATOM 443 CE1 PHE A 29 6.180 42.970 -14.539 1.00 65.01 C ATOM 444 CE2 PHE A 29 6.763 40.789 -15.325 1.00 71.41 C ATOM 445 CZ PHE A 29 6.016 41.943 -15.448 1.00 54.44 C ATOM 0 H PHE A 29 10.849 40.095 -12.343 1.00 72.53 H new ATOM 0 HA PHE A 29 10.188 42.596 -13.562 1.00 52.23 H new ATOM 0 HB2 PHE A 29 8.922 40.496 -11.982 1.00 4.54 H new ATOM 0 HB3 PHE A 29 8.465 42.077 -11.381 1.00 4.54 H new ATOM 0 HD1 PHE A 29 7.220 43.647 -12.803 1.00 51.41 H new ATOM 0 HD2 PHE A 29 8.258 39.759 -14.203 1.00 14.54 H new ATOM 0 HE1 PHE A 29 5.595 43.873 -14.632 1.00 65.01 H new ATOM 0 HE2 PHE A 29 6.635 39.984 -16.034 1.00 71.41 H new ATOM 0 HZ PHE A 29 5.304 42.043 -16.254 1.00 54.44 H new ATOM 455 N TYR A 30 11.451 42.591 -10.568 1.00 70.14 N ATOM 456 CA TYR A 30 11.949 43.437 -9.490 1.00 61.42 C ATOM 457 C TYR A 30 13.169 44.234 -9.942 1.00 54.13 C ATOM 458 O TYR A 30 13.418 45.338 -9.457 1.00 4.23 O ATOM 459 CB TYR A 30 12.306 42.586 -8.270 1.00 12.11 C ATOM 460 CG TYR A 30 11.329 42.730 -7.125 1.00 75.42 C ATOM 461 CD1 TYR A 30 10.123 42.038 -7.124 1.00 64.10 C ATOM 462 CD2 TYR A 30 11.609 43.557 -6.045 1.00 45.54 C ATOM 463 CE1 TYR A 30 9.227 42.166 -6.081 1.00 10.33 C ATOM 464 CE2 TYR A 30 10.720 43.691 -4.997 1.00 72.11 C ATOM 465 CZ TYR A 30 9.530 42.994 -5.019 1.00 71.44 C ATOM 466 OH TYR A 30 8.640 43.125 -3.978 1.00 24.13 O ATOM 0 H TYR A 30 11.739 41.614 -10.505 1.00 70.14 H new ATOM 0 HA TYR A 30 11.160 44.138 -9.218 1.00 61.42 H new ATOM 0 HB2 TYR A 30 12.351 41.539 -8.569 1.00 12.11 H new ATOM 0 HB3 TYR A 30 13.302 42.862 -7.924 1.00 12.11 H new ATOM 0 HD1 TYR A 30 9.883 41.389 -7.953 1.00 64.10 H new ATOM 0 HD2 TYR A 30 12.539 44.105 -6.024 1.00 45.54 H new ATOM 0 HE1 TYR A 30 8.295 41.621 -6.096 1.00 10.33 H new ATOM 0 HE2 TYR A 30 10.955 44.338 -4.165 1.00 72.11 H new ATOM 0 HH TYR A 30 9.005 43.744 -3.311 1.00 24.13 H new ATOM 476 N LEU A 31 13.925 43.667 -10.876 1.00 13.31 N ATOM 477 CA LEU A 31 15.119 44.324 -11.396 1.00 51.22 C ATOM 478 C LEU A 31 15.208 44.172 -12.911 1.00 54.33 C ATOM 479 O LEU A 31 16.021 43.412 -13.437 1.00 41.31 O ATOM 480 CB LEU A 31 16.372 43.742 -10.740 1.00 0.33 C ATOM 481 CG LEU A 31 16.608 44.132 -9.280 1.00 53.31 C ATOM 482 CD1 LEU A 31 16.132 43.028 -8.349 1.00 13.10 C ATOM 483 CD2 LEU A 31 18.079 44.437 -9.040 1.00 43.14 C ATOM 0 H LEU A 31 13.732 42.754 -11.288 1.00 13.31 H new ATOM 0 HA LEU A 31 15.052 45.386 -11.159 1.00 51.22 H new ATOM 0 HB2 LEU A 31 16.318 42.655 -10.801 1.00 0.33 H new ATOM 0 HB3 LEU A 31 17.240 44.051 -11.323 1.00 0.33 H new ATOM 0 HG LEU A 31 16.032 45.032 -9.067 1.00 53.31 H new ATOM 0 HD11 LEU A 31 16.308 43.323 -7.315 1.00 13.10 H new ATOM 0 HD12 LEU A 31 15.066 42.858 -8.501 1.00 13.10 H new ATOM 0 HD13 LEU A 31 16.680 42.110 -8.563 1.00 13.10 H new ATOM 0 HD21 LEU A 31 18.228 44.713 -7.996 1.00 43.14 H new ATOM 0 HD22 LEU A 31 18.676 43.555 -9.271 1.00 43.14 H new ATOM 0 HD23 LEU A 31 18.389 45.263 -9.681 1.00 43.14 H new ATOM 495 N PRO A 32 14.353 44.913 -13.632 1.00 13.54 N ATOM 496 CA PRO A 32 14.317 44.881 -15.097 1.00 32.23 C ATOM 497 C PRO A 32 15.552 45.522 -15.721 1.00 74.52 C ATOM 498 O PRO A 32 16.279 46.263 -15.061 1.00 22.12 O ATOM 499 CB PRO A 32 13.063 45.690 -15.439 1.00 44.20 C ATOM 500 CG PRO A 32 12.871 46.600 -14.275 1.00 55.03 C ATOM 501 CD PRO A 32 13.356 45.841 -13.071 1.00 74.13 C ATOM 0 HA PRO A 32 14.301 43.862 -15.482 1.00 32.23 H new ATOM 0 HB2 PRO A 32 13.194 46.252 -16.364 1.00 44.20 H new ATOM 0 HB3 PRO A 32 12.199 45.041 -15.581 1.00 44.20 H new ATOM 0 HG2 PRO A 32 13.433 47.525 -14.406 1.00 55.03 H new ATOM 0 HG3 PRO A 32 11.823 46.877 -14.165 1.00 55.03 H new ATOM 0 HD2 PRO A 32 13.798 46.505 -12.328 1.00 74.13 H new ATOM 0 HD3 PRO A 32 12.543 45.308 -12.578 1.00 74.13 H new ATOM 509 N SER A 33 15.782 45.231 -16.998 1.00 11.13 N ATOM 510 CA SER A 33 16.931 45.777 -17.710 1.00 62.45 C ATOM 511 C SER A 33 16.551 46.168 -19.135 1.00 40.12 C ATOM 512 O SER A 33 15.527 45.729 -19.659 1.00 63.23 O ATOM 513 CB SER A 33 18.072 44.758 -17.737 1.00 22.24 C ATOM 514 OG SER A 33 19.160 45.190 -16.939 1.00 4.34 O ATOM 0 H SER A 33 15.188 44.621 -17.560 1.00 11.13 H new ATOM 0 HA SER A 33 17.263 46.671 -17.182 1.00 62.45 H new ATOM 0 HB2 SER A 33 17.712 43.795 -17.376 1.00 22.24 H new ATOM 0 HB3 SER A 33 18.406 44.609 -18.764 1.00 22.24 H new ATOM 0 HG SER A 33 19.875 44.521 -16.971 1.00 4.34 H new ATOM 520 N ASP A 34 17.383 46.997 -19.756 1.00 10.11 N ATOM 521 CA ASP A 34 17.136 47.448 -21.121 1.00 2.35 C ATOM 522 C ASP A 34 17.889 46.581 -22.124 1.00 63.32 C ATOM 523 O ASP A 34 17.997 46.927 -23.301 1.00 74.13 O ATOM 524 CB ASP A 34 17.552 48.912 -21.280 1.00 34.43 C ATOM 525 CG ASP A 34 16.854 49.822 -20.289 1.00 2.55 C ATOM 526 OD1 ASP A 34 15.840 49.393 -19.699 1.00 24.21 O ATOM 527 OD2 ASP A 34 17.323 50.965 -20.102 1.00 33.32 O ATOM 0 H ASP A 34 18.234 47.370 -19.336 1.00 10.11 H new ATOM 0 HA ASP A 34 16.068 47.358 -21.320 1.00 2.35 H new ATOM 0 HB2 ASP A 34 18.631 48.997 -21.149 1.00 34.43 H new ATOM 0 HB3 ASP A 34 17.327 49.243 -22.294 1.00 34.43 H new ATOM 532 N CYS A 35 18.410 45.454 -21.651 1.00 75.11 N ATOM 533 CA CYS A 35 19.155 44.537 -22.507 1.00 12.33 C ATOM 534 C CYS A 35 18.232 43.482 -23.107 1.00 31.44 C ATOM 535 O CYS A 35 18.691 42.480 -23.654 1.00 53.13 O ATOM 536 CB CYS A 35 20.274 43.862 -21.713 1.00 42.11 C ATOM 537 SG CYS A 35 21.383 45.017 -20.873 1.00 25.41 S ATOM 0 H CYS A 35 18.330 45.153 -20.680 1.00 75.11 H new ATOM 0 HA CYS A 35 19.594 45.114 -23.321 1.00 12.33 H new ATOM 0 HB2 CYS A 35 19.829 43.198 -20.972 1.00 42.11 H new ATOM 0 HB3 CYS A 35 20.860 43.239 -22.389 1.00 42.11 H new ATOM 0 HG CYS A 35 22.294 44.352 -20.227 1.00 25.41 H new ATOM 543 N GLY A 36 16.927 43.713 -22.998 1.00 31.34 N ATOM 544 CA GLY A 36 15.960 42.772 -23.532 1.00 72.02 C ATOM 545 C GLY A 36 15.802 41.543 -22.659 1.00 2.23 C ATOM 546 O GLY A 36 15.479 40.463 -23.150 1.00 73.51 O ATOM 0 H GLY A 36 16.523 44.535 -22.549 1.00 31.34 H new ATOM 0 HA2 GLY A 36 14.994 43.267 -23.635 1.00 72.02 H new ATOM 0 HA3 GLY A 36 16.269 42.466 -24.532 1.00 72.02 H new ATOM 550 N GLU A 37 16.033 41.709 -21.360 1.00 31.41 N ATOM 551 CA GLU A 37 15.917 40.602 -20.417 1.00 53.32 C ATOM 552 C GLU A 37 14.525 39.979 -20.479 1.00 2.04 C ATOM 553 O GLU A 37 14.368 38.767 -20.332 1.00 70.30 O ATOM 554 CB GLU A 37 16.210 41.083 -18.994 1.00 61.43 C ATOM 555 CG GLU A 37 16.357 39.953 -17.989 1.00 1.02 C ATOM 556 CD GLU A 37 17.489 40.189 -17.008 1.00 30.03 C ATOM 557 OE1 GLU A 37 18.652 39.908 -17.364 1.00 62.21 O ATOM 558 OE2 GLU A 37 17.211 40.655 -15.883 1.00 13.40 O ATOM 0 H GLU A 37 16.301 42.598 -20.937 1.00 31.41 H new ATOM 0 HA GLU A 37 16.649 39.843 -20.694 1.00 53.32 H new ATOM 0 HB2 GLU A 37 17.126 41.674 -19.000 1.00 61.43 H new ATOM 0 HB3 GLU A 37 15.406 41.744 -18.670 1.00 61.43 H new ATOM 0 HG2 GLU A 37 15.423 39.837 -17.439 1.00 1.02 H new ATOM 0 HG3 GLU A 37 16.532 39.018 -18.522 1.00 1.02 H new ATOM 565 N LYS A 38 13.517 40.817 -20.696 1.00 2.03 N ATOM 566 CA LYS A 38 12.138 40.351 -20.778 1.00 20.24 C ATOM 567 C LYS A 38 11.962 39.373 -21.935 1.00 40.22 C ATOM 568 O LYS A 38 11.510 38.245 -21.743 1.00 60.23 O ATOM 569 CB LYS A 38 11.186 41.537 -20.949 1.00 23.03 C ATOM 570 CG LYS A 38 10.487 41.946 -19.664 1.00 74.40 C ATOM 571 CD LYS A 38 11.483 42.339 -18.587 1.00 45.40 C ATOM 572 CE LYS A 38 10.814 43.120 -17.466 1.00 71.32 C ATOM 573 NZ LYS A 38 9.627 42.403 -16.923 1.00 61.42 N ATOM 0 H LYS A 38 13.630 41.823 -20.818 1.00 2.03 H new ATOM 0 HA LYS A 38 11.900 39.833 -19.849 1.00 20.24 H new ATOM 0 HB2 LYS A 38 11.746 42.389 -21.335 1.00 23.03 H new ATOM 0 HB3 LYS A 38 10.434 41.284 -21.697 1.00 23.03 H new ATOM 0 HG2 LYS A 38 9.817 42.782 -19.864 1.00 74.40 H new ATOM 0 HG3 LYS A 38 9.870 41.122 -19.306 1.00 74.40 H new ATOM 0 HD2 LYS A 38 11.951 41.443 -18.179 1.00 45.40 H new ATOM 0 HD3 LYS A 38 12.278 42.941 -19.027 1.00 45.40 H new ATOM 0 HE2 LYS A 38 11.532 43.292 -16.664 1.00 71.32 H new ATOM 0 HE3 LYS A 38 10.509 44.099 -17.837 1.00 71.32 H new ATOM 0 HZ1 LYS A 38 9.332 42.847 -16.030 1.00 61.42 H new ATOM 0 HZ2 LYS A 38 8.847 42.453 -17.609 1.00 61.42 H new ATOM 0 HZ3 LYS A 38 9.872 41.407 -16.750 1.00 61.42 H new ATOM 587 N MET A 39 12.323 39.814 -23.136 1.00 23.41 N ATOM 588 CA MET A 39 12.207 38.975 -24.324 1.00 4.54 C ATOM 589 C MET A 39 12.973 37.669 -24.144 1.00 23.43 C ATOM 590 O MET A 39 12.487 36.596 -24.505 1.00 15.55 O ATOM 591 CB MET A 39 12.730 39.721 -25.553 1.00 53.12 C ATOM 592 CG MET A 39 11.692 40.621 -26.205 1.00 32.43 C ATOM 593 SD MET A 39 12.269 41.337 -27.755 1.00 40.23 S ATOM 594 CE MET A 39 10.862 41.023 -28.818 1.00 14.41 C ATOM 0 H MET A 39 12.698 40.746 -23.312 1.00 23.41 H new ATOM 0 HA MET A 39 11.153 38.740 -24.471 1.00 4.54 H new ATOM 0 HB2 MET A 39 13.591 40.324 -25.263 1.00 53.12 H new ATOM 0 HB3 MET A 39 13.082 38.995 -26.286 1.00 53.12 H new ATOM 0 HG2 MET A 39 10.784 40.047 -26.390 1.00 32.43 H new ATOM 0 HG3 MET A 39 11.427 41.423 -25.515 1.00 32.43 H new ATOM 0 HE1 MET A 39 11.094 40.201 -29.495 1.00 14.41 H new ATOM 0 HE2 MET A 39 9.998 40.759 -28.209 1.00 14.41 H new ATOM 0 HE3 MET A 39 10.637 41.918 -29.398 1.00 14.41 H new ATOM 604 N THR A 40 14.175 37.764 -23.584 1.00 2.44 N ATOM 605 CA THR A 40 15.009 36.590 -23.357 1.00 52.54 C ATOM 606 C THR A 40 14.358 35.638 -22.360 1.00 44.34 C ATOM 607 O THR A 40 14.182 34.452 -22.643 1.00 40.41 O ATOM 608 CB THR A 40 16.405 36.984 -22.839 1.00 14.25 C ATOM 609 OG1 THR A 40 17.236 37.392 -23.931 1.00 23.44 O ATOM 610 CG2 THR A 40 17.056 35.822 -22.104 1.00 44.31 C ATOM 0 H THR A 40 14.593 38.643 -23.279 1.00 2.44 H new ATOM 0 HA THR A 40 15.116 36.087 -24.318 1.00 52.54 H new ATOM 0 HB THR A 40 16.290 37.815 -22.143 1.00 14.25 H new ATOM 0 HG1 THR A 40 18.121 37.642 -23.593 1.00 23.44 H new ATOM 0 HG21 THR A 40 18.041 36.123 -21.747 1.00 44.31 H new ATOM 0 HG22 THR A 40 16.435 35.534 -21.256 1.00 44.31 H new ATOM 0 HG23 THR A 40 17.159 34.975 -22.782 1.00 44.31 H new ATOM 618 N LEU A 41 14.003 36.164 -21.193 1.00 71.32 N ATOM 619 CA LEU A 41 13.370 35.360 -20.153 1.00 63.32 C ATOM 620 C LEU A 41 12.088 34.714 -20.669 1.00 21.25 C ATOM 621 O LEU A 41 11.824 33.540 -20.407 1.00 23.41 O ATOM 622 CB LEU A 41 13.063 36.224 -18.929 1.00 41.01 C ATOM 623 CG LEU A 41 13.160 35.525 -17.573 1.00 3.15 C ATOM 624 CD1 LEU A 41 12.374 34.223 -17.585 1.00 51.51 C ATOM 625 CD2 LEU A 41 14.615 35.268 -17.208 1.00 62.11 C ATOM 0 H LEU A 41 14.143 37.143 -20.943 1.00 71.32 H new ATOM 0 HA LEU A 41 14.063 34.569 -19.867 1.00 63.32 H new ATOM 0 HB2 LEU A 41 13.747 37.073 -18.928 1.00 41.01 H new ATOM 0 HB3 LEU A 41 12.056 36.626 -19.037 1.00 41.01 H new ATOM 0 HG LEU A 41 12.726 36.180 -16.817 1.00 3.15 H new ATOM 0 HD11 LEU A 41 12.455 33.740 -16.611 1.00 51.51 H new ATOM 0 HD12 LEU A 41 11.326 34.433 -17.800 1.00 51.51 H new ATOM 0 HD13 LEU A 41 12.777 33.562 -18.352 1.00 51.51 H new ATOM 0 HD21 LEU A 41 14.665 34.770 -16.240 1.00 62.11 H new ATOM 0 HD22 LEU A 41 15.074 34.634 -17.966 1.00 62.11 H new ATOM 0 HD23 LEU A 41 15.150 36.216 -17.156 1.00 62.11 H new ATOM 637 N CYS A 42 11.296 35.487 -21.403 1.00 44.12 N ATOM 638 CA CYS A 42 10.042 34.990 -21.957 1.00 70.21 C ATOM 639 C CYS A 42 10.266 33.698 -22.736 1.00 32.31 C ATOM 640 O CYS A 42 9.522 32.729 -22.578 1.00 12.43 O ATOM 641 CB CYS A 42 9.408 36.044 -22.866 1.00 3.11 C ATOM 642 SG CYS A 42 7.916 35.483 -23.719 1.00 64.43 S ATOM 0 H CYS A 42 11.500 36.461 -21.628 1.00 44.12 H new ATOM 0 HA CYS A 42 9.365 34.781 -21.128 1.00 70.21 H new ATOM 0 HB2 CYS A 42 9.164 36.923 -22.270 1.00 3.11 H new ATOM 0 HB3 CYS A 42 10.142 36.357 -23.609 1.00 3.11 H new ATOM 0 HG CYS A 42 7.453 36.445 -24.461 1.00 64.43 H new ATOM 648 N ILE A 43 11.294 33.691 -23.578 1.00 31.04 N ATOM 649 CA ILE A 43 11.615 32.518 -24.381 1.00 53.14 C ATOM 650 C ILE A 43 12.160 31.389 -23.513 1.00 54.13 C ATOM 651 O ILE A 43 11.837 30.220 -23.723 1.00 61.22 O ATOM 652 CB ILE A 43 12.645 32.851 -25.477 1.00 13.11 C ATOM 653 CG1 ILE A 43 11.994 33.683 -26.584 1.00 34.21 C ATOM 654 CG2 ILE A 43 13.242 31.574 -26.048 1.00 71.33 C ATOM 655 CD1 ILE A 43 12.892 34.770 -27.131 1.00 10.03 C ATOM 0 H ILE A 43 11.919 34.484 -23.722 1.00 31.04 H new ATOM 0 HA ILE A 43 10.687 32.195 -24.852 1.00 53.14 H new ATOM 0 HB ILE A 43 13.449 33.438 -25.033 1.00 13.11 H new ATOM 0 HG12 ILE A 43 11.700 33.022 -27.399 1.00 34.21 H new ATOM 0 HG13 ILE A 43 11.082 34.137 -26.197 1.00 34.21 H new ATOM 0 HG21 ILE A 43 13.968 31.826 -26.821 1.00 71.33 H new ATOM 0 HG22 ILE A 43 13.737 31.017 -25.253 1.00 71.33 H new ATOM 0 HG23 ILE A 43 12.449 30.963 -26.480 1.00 71.33 H new ATOM 0 HD11 ILE A 43 12.365 35.319 -27.911 1.00 10.03 H new ATOM 0 HD12 ILE A 43 13.166 35.454 -26.328 1.00 10.03 H new ATOM 0 HD13 ILE A 43 13.793 34.321 -27.548 1.00 10.03 H new ATOM 667 N SER A 44 12.986 31.747 -22.536 1.00 43.51 N ATOM 668 CA SER A 44 13.578 30.764 -21.636 1.00 40.33 C ATOM 669 C SER A 44 12.496 29.988 -20.892 1.00 73.14 C ATOM 670 O SER A 44 12.505 28.757 -20.867 1.00 12.13 O ATOM 671 CB SER A 44 14.507 31.453 -20.635 1.00 25.52 C ATOM 672 OG SER A 44 15.866 31.284 -21.001 1.00 40.51 O ATOM 0 H SER A 44 13.261 32.711 -22.347 1.00 43.51 H new ATOM 0 HA SER A 44 14.158 30.062 -22.235 1.00 40.33 H new ATOM 0 HB2 SER A 44 14.270 32.516 -20.586 1.00 25.52 H new ATOM 0 HB3 SER A 44 14.342 31.043 -19.639 1.00 25.52 H new ATOM 0 HG SER A 44 16.440 31.735 -20.347 1.00 40.51 H new ATOM 678 N VAL A 45 11.563 30.717 -20.287 1.00 61.15 N ATOM 679 CA VAL A 45 10.472 30.098 -19.543 1.00 44.45 C ATOM 680 C VAL A 45 9.728 29.082 -20.402 1.00 43.14 C ATOM 681 O VAL A 45 9.442 27.969 -19.959 1.00 64.12 O ATOM 682 CB VAL A 45 9.473 31.153 -19.033 1.00 35.21 C ATOM 683 CG1 VAL A 45 8.135 30.506 -18.706 1.00 50.42 C ATOM 684 CG2 VAL A 45 10.035 31.876 -17.819 1.00 22.04 C ATOM 0 H VAL A 45 11.541 31.737 -20.298 1.00 61.15 H new ATOM 0 HA VAL A 45 10.919 29.589 -18.689 1.00 44.45 H new ATOM 0 HB VAL A 45 9.312 31.888 -19.822 1.00 35.21 H new ATOM 0 HG11 VAL A 45 7.441 31.266 -18.347 1.00 50.42 H new ATOM 0 HG12 VAL A 45 7.728 30.038 -19.603 1.00 50.42 H new ATOM 0 HG13 VAL A 45 8.276 29.750 -17.934 1.00 50.42 H new ATOM 0 HG21 VAL A 45 9.316 32.618 -17.472 1.00 22.04 H new ATOM 0 HG22 VAL A 45 10.226 31.156 -17.023 1.00 22.04 H new ATOM 0 HG23 VAL A 45 10.966 32.373 -18.090 1.00 22.04 H new ATOM 694 N LEU A 46 9.417 29.472 -21.634 1.00 21.43 N ATOM 695 CA LEU A 46 8.706 28.594 -22.557 1.00 12.21 C ATOM 696 C LEU A 46 9.611 27.466 -23.042 1.00 54.24 C ATOM 697 O LEU A 46 9.135 26.402 -23.442 1.00 11.45 O ATOM 698 CB LEU A 46 8.183 29.394 -23.751 1.00 42.24 C ATOM 699 CG LEU A 46 7.328 28.620 -24.755 1.00 51.11 C ATOM 700 CD1 LEU A 46 6.080 28.072 -24.082 1.00 35.35 C ATOM 701 CD2 LEU A 46 6.954 29.508 -25.933 1.00 61.55 C ATOM 0 H LEU A 46 9.646 30.390 -22.016 1.00 21.43 H new ATOM 0 HA LEU A 46 7.863 28.154 -22.025 1.00 12.21 H new ATOM 0 HB2 LEU A 46 7.596 30.231 -23.373 1.00 42.24 H new ATOM 0 HB3 LEU A 46 9.036 29.817 -24.281 1.00 42.24 H new ATOM 0 HG LEU A 46 7.913 27.780 -25.130 1.00 51.11 H new ATOM 0 HD11 LEU A 46 5.484 27.524 -24.812 1.00 35.35 H new ATOM 0 HD12 LEU A 46 6.368 27.402 -23.272 1.00 35.35 H new ATOM 0 HD13 LEU A 46 5.492 28.897 -23.679 1.00 35.35 H new ATOM 0 HD21 LEU A 46 6.346 28.941 -26.637 1.00 61.55 H new ATOM 0 HD22 LEU A 46 6.388 30.368 -25.575 1.00 61.55 H new ATOM 0 HD23 LEU A 46 7.860 29.852 -26.431 1.00 61.55 H new ATOM 713 N LEU A 47 10.917 27.705 -23.004 1.00 31.42 N ATOM 714 CA LEU A 47 11.890 26.708 -23.438 1.00 34.22 C ATOM 715 C LEU A 47 11.765 25.431 -22.613 1.00 64.41 C ATOM 716 O LEU A 47 11.694 24.331 -23.161 1.00 25.12 O ATOM 717 CB LEU A 47 13.309 27.267 -23.322 1.00 53.11 C ATOM 718 CG LEU A 47 14.203 27.088 -24.550 1.00 12.15 C ATOM 719 CD1 LEU A 47 14.021 28.248 -25.516 1.00 2.20 C ATOM 720 CD2 LEU A 47 15.661 26.962 -24.133 1.00 60.32 C ATOM 0 H LEU A 47 11.327 28.580 -22.677 1.00 31.42 H new ATOM 0 HA LEU A 47 11.686 26.467 -24.481 1.00 34.22 H new ATOM 0 HB2 LEU A 47 13.242 28.332 -23.099 1.00 53.11 H new ATOM 0 HB3 LEU A 47 13.796 26.793 -22.470 1.00 53.11 H new ATOM 0 HG LEU A 47 13.910 26.170 -25.059 1.00 12.15 H new ATOM 0 HD11 LEU A 47 14.665 28.103 -26.384 1.00 2.20 H new ATOM 0 HD12 LEU A 47 12.981 28.292 -25.839 1.00 2.20 H new ATOM 0 HD13 LEU A 47 14.286 29.181 -25.019 1.00 2.20 H new ATOM 0 HD21 LEU A 47 16.283 26.835 -25.019 1.00 60.32 H new ATOM 0 HD22 LEU A 47 15.966 27.863 -23.601 1.00 60.32 H new ATOM 0 HD23 LEU A 47 15.779 26.097 -23.480 1.00 60.32 H new ATOM 732 N ALA A 48 11.738 25.585 -21.293 1.00 74.14 N ATOM 733 CA ALA A 48 11.617 24.445 -20.393 1.00 64.34 C ATOM 734 C ALA A 48 10.240 23.799 -20.506 1.00 4.21 C ATOM 735 O ALA A 48 10.125 22.598 -20.754 1.00 53.34 O ATOM 736 CB ALA A 48 11.885 24.874 -18.959 1.00 3.34 C ATOM 0 H ALA A 48 11.798 26.488 -20.823 1.00 74.14 H new ATOM 0 HA ALA A 48 12.361 23.704 -20.684 1.00 64.34 H new ATOM 0 HB1 ALA A 48 11.791 24.012 -18.298 1.00 3.34 H new ATOM 0 HB2 ALA A 48 12.893 25.281 -18.883 1.00 3.34 H new ATOM 0 HB3 ALA A 48 11.163 25.636 -18.666 1.00 3.34 H new ATOM 742 N LEU A 49 9.199 24.603 -20.321 1.00 72.31 N ATOM 743 CA LEU A 49 7.828 24.109 -20.401 1.00 42.44 C ATOM 744 C LEU A 49 7.588 23.380 -21.719 1.00 44.04 C ATOM 745 O LEU A 49 6.814 22.424 -21.781 1.00 51.54 O ATOM 746 CB LEU A 49 6.839 25.268 -20.259 1.00 22.40 C ATOM 747 CG LEU A 49 6.193 25.433 -18.883 1.00 4.41 C ATOM 748 CD1 LEU A 49 5.216 24.300 -18.612 1.00 52.31 C ATOM 749 CD2 LEU A 49 7.258 25.492 -17.798 1.00 3.35 C ATOM 0 H LEU A 49 9.277 25.599 -20.115 1.00 72.31 H new ATOM 0 HA LEU A 49 7.673 23.404 -19.584 1.00 42.44 H new ATOM 0 HB2 LEU A 49 7.357 26.194 -20.509 1.00 22.40 H new ATOM 0 HB3 LEU A 49 6.047 25.137 -20.997 1.00 22.40 H new ATOM 0 HG LEU A 49 5.640 26.372 -18.873 1.00 4.41 H new ATOM 0 HD11 LEU A 49 4.766 24.435 -17.628 1.00 52.31 H new ATOM 0 HD12 LEU A 49 4.434 24.304 -19.372 1.00 52.31 H new ATOM 0 HD13 LEU A 49 5.746 23.348 -18.641 1.00 52.31 H new ATOM 0 HD21 LEU A 49 6.780 25.610 -16.825 1.00 3.35 H new ATOM 0 HD22 LEU A 49 7.839 24.570 -17.808 1.00 3.35 H new ATOM 0 HD23 LEU A 49 7.919 26.339 -17.982 1.00 3.35 H new ATOM 761 N THR A 50 8.260 23.836 -22.773 1.00 34.43 N ATOM 762 CA THR A 50 8.121 23.226 -24.089 1.00 53.44 C ATOM 763 C THR A 50 8.780 21.853 -24.132 1.00 72.40 C ATOM 764 O THR A 50 8.279 20.932 -24.778 1.00 51.33 O ATOM 765 CB THR A 50 8.738 24.114 -25.187 1.00 30.32 C ATOM 766 OG1 THR A 50 7.832 25.167 -25.532 1.00 51.42 O ATOM 767 CG2 THR A 50 9.065 23.293 -26.425 1.00 44.44 C ATOM 0 H THR A 50 8.905 24.625 -22.740 1.00 34.43 H new ATOM 0 HA THR A 50 7.053 23.118 -24.276 1.00 53.44 H new ATOM 0 HB THR A 50 9.662 24.543 -24.800 1.00 30.32 H new ATOM 0 HG1 THR A 50 8.232 25.728 -26.229 1.00 51.42 H new ATOM 0 HG21 THR A 50 9.499 23.940 -27.187 1.00 44.44 H new ATOM 0 HG22 THR A 50 9.778 22.510 -26.165 1.00 44.44 H new ATOM 0 HG23 THR A 50 8.153 22.839 -26.812 1.00 44.44 H new ATOM 775 N VAL A 51 9.906 21.720 -23.439 1.00 22.03 N ATOM 776 CA VAL A 51 10.633 20.457 -23.396 1.00 24.00 C ATOM 777 C VAL A 51 9.742 19.326 -22.896 1.00 54.01 C ATOM 778 O VAL A 51 9.570 18.311 -23.572 1.00 3.14 O ATOM 779 CB VAL A 51 11.876 20.555 -22.491 1.00 34.13 C ATOM 780 CG1 VAL A 51 12.528 19.190 -22.329 1.00 53.20 C ATOM 781 CG2 VAL A 51 12.865 21.565 -23.052 1.00 62.31 C ATOM 0 H VAL A 51 10.335 22.472 -22.899 1.00 22.03 H new ATOM 0 HA VAL A 51 10.951 20.241 -24.416 1.00 24.00 H new ATOM 0 HB VAL A 51 11.561 20.899 -21.506 1.00 34.13 H new ATOM 0 HG11 VAL A 51 13.404 19.279 -21.687 1.00 53.20 H new ATOM 0 HG12 VAL A 51 11.817 18.498 -21.878 1.00 53.20 H new ATOM 0 HG13 VAL A 51 12.831 18.813 -23.306 1.00 53.20 H new ATOM 0 HG21 VAL A 51 13.737 21.621 -22.400 1.00 62.31 H new ATOM 0 HG22 VAL A 51 13.177 21.254 -24.049 1.00 62.31 H new ATOM 0 HG23 VAL A 51 12.391 22.545 -23.110 1.00 62.31 H new ATOM 791 N PHE A 52 9.175 19.508 -21.708 1.00 32.00 N ATOM 792 CA PHE A 52 8.300 18.502 -21.116 1.00 40.52 C ATOM 793 C PHE A 52 6.997 18.385 -21.902 1.00 64.51 C ATOM 794 O PHE A 52 6.554 17.283 -22.230 1.00 2.01 O ATOM 795 CB PHE A 52 7.999 18.853 -19.657 1.00 71.45 C ATOM 796 CG PHE A 52 8.932 18.199 -18.679 1.00 63.11 C ATOM 797 CD1 PHE A 52 8.980 16.819 -18.563 1.00 44.11 C ATOM 798 CD2 PHE A 52 9.761 18.964 -17.875 1.00 4.41 C ATOM 799 CE1 PHE A 52 9.839 16.214 -17.664 1.00 14.30 C ATOM 800 CE2 PHE A 52 10.622 18.365 -16.974 1.00 52.25 C ATOM 801 CZ PHE A 52 10.660 16.989 -16.868 1.00 35.41 C ATOM 0 H PHE A 52 9.306 20.342 -21.136 1.00 32.00 H new ATOM 0 HA PHE A 52 8.814 17.541 -21.153 1.00 40.52 H new ATOM 0 HB2 PHE A 52 8.055 19.934 -19.533 1.00 71.45 H new ATOM 0 HB3 PHE A 52 6.976 18.558 -19.424 1.00 71.45 H new ATOM 0 HD1 PHE A 52 8.339 16.209 -19.182 1.00 44.11 H new ATOM 0 HD2 PHE A 52 9.735 20.041 -17.953 1.00 4.41 H new ATOM 0 HE1 PHE A 52 9.868 15.137 -17.584 1.00 14.30 H new ATOM 0 HE2 PHE A 52 11.264 18.973 -16.354 1.00 52.25 H new ATOM 0 HZ PHE A 52 11.331 16.519 -16.164 1.00 35.41 H new ATOM 811 N LEU A 53 6.388 19.527 -22.201 1.00 22.35 N ATOM 812 CA LEU A 53 5.135 19.553 -22.948 1.00 5.24 C ATOM 813 C LEU A 53 5.253 18.747 -24.237 1.00 21.32 C ATOM 814 O LEU A 53 4.451 17.849 -24.495 1.00 72.54 O ATOM 815 CB LEU A 53 4.741 20.996 -23.269 1.00 61.22 C ATOM 816 CG LEU A 53 3.679 21.175 -24.355 1.00 1.24 C ATOM 817 CD1 LEU A 53 2.580 22.112 -23.877 1.00 23.33 C ATOM 818 CD2 LEU A 53 4.310 21.700 -25.636 1.00 73.02 C ATOM 0 H LEU A 53 6.741 20.447 -21.938 1.00 22.35 H new ATOM 0 HA LEU A 53 4.361 19.100 -22.328 1.00 5.24 H new ATOM 0 HB2 LEU A 53 4.379 21.465 -22.354 1.00 61.22 H new ATOM 0 HB3 LEU A 53 5.637 21.538 -23.572 1.00 61.22 H new ATOM 0 HG LEU A 53 3.233 20.203 -24.565 1.00 1.24 H new ATOM 0 HD11 LEU A 53 1.833 22.228 -24.663 1.00 23.33 H new ATOM 0 HD12 LEU A 53 2.109 21.696 -22.987 1.00 23.33 H new ATOM 0 HD13 LEU A 53 3.010 23.085 -23.639 1.00 23.33 H new ATOM 0 HD21 LEU A 53 3.540 21.821 -26.398 1.00 73.02 H new ATOM 0 HD22 LEU A 53 4.782 22.663 -25.441 1.00 73.02 H new ATOM 0 HD23 LEU A 53 5.061 20.992 -25.988 1.00 73.02 H new ATOM 830 N LEU A 54 6.259 19.071 -25.042 1.00 11.13 N ATOM 831 CA LEU A 54 6.484 18.375 -26.304 1.00 53.30 C ATOM 832 C LEU A 54 6.623 16.873 -26.080 1.00 73.14 C ATOM 833 O LEU A 54 6.196 16.069 -26.910 1.00 72.31 O ATOM 834 CB LEU A 54 7.738 18.918 -26.992 1.00 55.10 C ATOM 835 CG LEU A 54 8.225 18.137 -28.213 1.00 33.11 C ATOM 836 CD1 LEU A 54 7.279 18.338 -29.387 1.00 65.31 C ATOM 837 CD2 LEU A 54 9.639 18.558 -28.586 1.00 33.11 C ATOM 0 H LEU A 54 6.932 19.811 -24.843 1.00 11.13 H new ATOM 0 HA LEU A 54 5.620 18.549 -26.946 1.00 53.30 H new ATOM 0 HB2 LEU A 54 7.544 19.946 -27.297 1.00 55.10 H new ATOM 0 HB3 LEU A 54 8.545 18.949 -26.260 1.00 55.10 H new ATOM 0 HG LEU A 54 8.238 17.077 -27.961 1.00 33.11 H new ATOM 0 HD11 LEU A 54 7.642 17.775 -30.247 1.00 65.31 H new ATOM 0 HD12 LEU A 54 6.283 17.986 -29.116 1.00 65.31 H new ATOM 0 HD13 LEU A 54 7.233 19.397 -29.640 1.00 65.31 H new ATOM 0 HD21 LEU A 54 9.969 17.992 -29.457 1.00 33.11 H new ATOM 0 HD22 LEU A 54 9.652 19.623 -28.819 1.00 33.11 H new ATOM 0 HD23 LEU A 54 10.310 18.361 -27.750 1.00 33.11 H new ATOM 849 N LEU A 55 7.220 16.501 -24.954 1.00 22.51 N ATOM 850 CA LEU A 55 7.414 15.094 -24.619 1.00 75.11 C ATOM 851 C LEU A 55 6.099 14.326 -24.716 1.00 24.51 C ATOM 852 O LEU A 55 5.996 13.343 -25.451 1.00 44.01 O ATOM 853 CB LEU A 55 7.993 14.960 -23.210 1.00 23.30 C ATOM 854 CG LEU A 55 8.975 13.807 -22.995 1.00 34.21 C ATOM 855 CD1 LEU A 55 10.231 14.299 -22.294 1.00 43.23 C ATOM 856 CD2 LEU A 55 8.319 12.690 -22.196 1.00 12.34 C ATOM 0 H LEU A 55 7.578 17.154 -24.257 1.00 22.51 H new ATOM 0 HA LEU A 55 8.117 14.668 -25.335 1.00 75.11 H new ATOM 0 HB2 LEU A 55 8.497 15.892 -22.956 1.00 23.30 H new ATOM 0 HB3 LEU A 55 7.167 14.843 -22.509 1.00 23.30 H new ATOM 0 HG LEU A 55 9.260 13.411 -23.970 1.00 34.21 H new ATOM 0 HD11 LEU A 55 10.918 13.465 -22.150 1.00 43.23 H new ATOM 0 HD12 LEU A 55 10.712 15.064 -22.904 1.00 43.23 H new ATOM 0 HD13 LEU A 55 9.965 14.722 -21.325 1.00 43.23 H new ATOM 0 HD21 LEU A 55 9.032 11.878 -22.053 1.00 12.34 H new ATOM 0 HD22 LEU A 55 8.005 13.073 -21.225 1.00 12.34 H new ATOM 0 HD23 LEU A 55 7.449 12.318 -22.737 1.00 12.34 H new ATOM 868 N ILE A 56 5.098 14.781 -23.971 1.00 74.23 N ATOM 869 CA ILE A 56 3.789 14.138 -23.976 1.00 44.22 C ATOM 870 C ILE A 56 2.981 14.546 -25.203 1.00 41.03 C ATOM 871 O ILE A 56 2.064 13.838 -25.618 1.00 55.23 O ATOM 872 CB ILE A 56 2.987 14.485 -22.708 1.00 51.23 C ATOM 873 CG1 ILE A 56 3.867 14.339 -21.465 1.00 61.03 C ATOM 874 CG2 ILE A 56 1.757 13.597 -22.600 1.00 73.34 C ATOM 875 CD1 ILE A 56 4.449 15.648 -20.980 1.00 21.04 C ATOM 0 H ILE A 56 5.168 15.592 -23.356 1.00 74.23 H new ATOM 0 HA ILE A 56 3.965 13.063 -24.001 1.00 44.22 H new ATOM 0 HB ILE A 56 2.658 15.522 -22.777 1.00 51.23 H new ATOM 0 HG12 ILE A 56 3.278 13.893 -20.663 1.00 61.03 H new ATOM 0 HG13 ILE A 56 4.681 13.648 -21.685 1.00 61.03 H new ATOM 0 HG21 ILE A 56 1.201 13.854 -21.699 1.00 73.34 H new ATOM 0 HG22 ILE A 56 1.122 13.747 -23.473 1.00 73.34 H new ATOM 0 HG23 ILE A 56 2.065 12.553 -22.550 1.00 73.34 H new ATOM 0 HD11 ILE A 56 5.061 15.469 -20.096 1.00 21.04 H new ATOM 0 HD12 ILE A 56 5.065 16.086 -21.766 1.00 21.04 H new ATOM 0 HD13 ILE A 56 3.641 16.334 -20.728 1.00 21.04 H new ATOM 1056 N SER A 69 -1.968 11.552 -15.800 1.00 51.55 N ATOM 1057 CA SER A 69 -2.422 12.873 -15.379 1.00 22.53 C ATOM 1058 C SER A 69 -1.787 13.964 -16.235 1.00 1.34 C ATOM 1059 O SER A 69 -1.821 15.144 -15.883 1.00 22.42 O ATOM 1060 CB SER A 69 -2.085 13.104 -13.904 1.00 63.14 C ATOM 1061 OG SER A 69 -2.848 12.253 -13.067 1.00 54.11 O ATOM 0 HA SER A 69 -3.503 12.918 -15.509 1.00 22.53 H new ATOM 0 HB2 SER A 69 -1.023 12.925 -13.738 1.00 63.14 H new ATOM 0 HB3 SER A 69 -2.278 14.144 -13.642 1.00 63.14 H new ATOM 0 HG SER A 69 -3.019 11.406 -13.530 1.00 54.11 H new ATOM 1067 N VAL A 70 -1.207 13.562 -17.361 1.00 55.24 N ATOM 1068 CA VAL A 70 -0.565 14.505 -18.269 1.00 71.14 C ATOM 1069 C VAL A 70 -1.552 15.560 -18.754 1.00 54.44 C ATOM 1070 O VAL A 70 -1.168 16.683 -19.078 1.00 43.31 O ATOM 1071 CB VAL A 70 0.041 13.785 -19.489 1.00 54.32 C ATOM 1072 CG1 VAL A 70 0.962 12.661 -19.043 1.00 21.45 C ATOM 1073 CG2 VAL A 70 -1.060 13.256 -20.396 1.00 32.44 C ATOM 0 H VAL A 70 -1.168 12.590 -17.666 1.00 55.24 H new ATOM 0 HA VAL A 70 0.234 14.990 -17.708 1.00 71.14 H new ATOM 0 HB VAL A 70 0.633 14.503 -20.056 1.00 54.32 H new ATOM 0 HG11 VAL A 70 1.380 12.164 -19.918 1.00 21.45 H new ATOM 0 HG12 VAL A 70 1.770 13.071 -18.438 1.00 21.45 H new ATOM 0 HG13 VAL A 70 0.397 11.940 -18.452 1.00 21.45 H new ATOM 0 HG21 VAL A 70 -0.614 12.750 -21.253 1.00 32.44 H new ATOM 0 HG22 VAL A 70 -1.681 12.552 -19.842 1.00 32.44 H new ATOM 0 HG23 VAL A 70 -1.675 14.086 -20.744 1.00 32.44 H new ATOM 1083 N GLY A 71 -2.829 15.192 -18.802 1.00 31.32 N ATOM 1084 CA GLY A 71 -3.853 16.118 -19.248 1.00 42.40 C ATOM 1085 C GLY A 71 -4.227 17.127 -18.180 1.00 50.12 C ATOM 1086 O GLY A 71 -4.549 18.274 -18.487 1.00 53.24 O ATOM 0 H GLY A 71 -3.172 14.268 -18.540 1.00 31.32 H new ATOM 0 HA2 GLY A 71 -3.500 16.645 -20.134 1.00 42.40 H new ATOM 0 HA3 GLY A 71 -4.741 15.559 -19.542 1.00 42.40 H new ATOM 1090 N GLU A 72 -4.186 16.698 -16.923 1.00 2.24 N ATOM 1091 CA GLU A 72 -4.526 17.573 -15.806 1.00 60.35 C ATOM 1092 C GLU A 72 -3.465 18.653 -15.619 1.00 0.31 C ATOM 1093 O GLU A 72 -3.773 19.845 -15.607 1.00 1.41 O ATOM 1094 CB GLU A 72 -4.674 16.759 -14.519 1.00 51.20 C ATOM 1095 CG GLU A 72 -5.963 15.957 -14.451 1.00 23.21 C ATOM 1096 CD GLU A 72 -6.385 15.651 -13.027 1.00 12.50 C ATOM 1097 OE1 GLU A 72 -5.501 15.345 -12.199 1.00 54.24 O ATOM 1098 OE2 GLU A 72 -7.599 15.718 -12.740 1.00 44.42 O ATOM 0 H GLU A 72 -3.921 15.751 -16.652 1.00 2.24 H new ATOM 0 HA GLU A 72 -5.476 18.057 -16.032 1.00 60.35 H new ATOM 0 HB2 GLU A 72 -3.827 16.078 -14.430 1.00 51.20 H new ATOM 0 HB3 GLU A 72 -4.631 17.435 -13.665 1.00 51.20 H new ATOM 0 HG2 GLU A 72 -6.758 16.511 -14.951 1.00 23.21 H new ATOM 0 HG3 GLU A 72 -5.834 15.022 -14.997 1.00 23.21 H new ATOM 1105 N TYR A 73 -2.215 18.228 -15.472 1.00 73.34 N ATOM 1106 CA TYR A 73 -1.108 19.158 -15.282 1.00 75.32 C ATOM 1107 C TYR A 73 -0.948 20.069 -16.495 1.00 52.12 C ATOM 1108 O TYR A 73 -0.500 21.210 -16.375 1.00 12.24 O ATOM 1109 CB TYR A 73 0.191 18.392 -15.031 1.00 24.43 C ATOM 1110 CG TYR A 73 0.076 17.343 -13.948 1.00 22.32 C ATOM 1111 CD1 TYR A 73 -0.621 17.602 -12.774 1.00 73.41 C ATOM 1112 CD2 TYR A 73 0.665 16.093 -14.097 1.00 43.45 C ATOM 1113 CE1 TYR A 73 -0.729 16.647 -11.782 1.00 23.34 C ATOM 1114 CE2 TYR A 73 0.562 15.132 -13.111 1.00 12.00 C ATOM 1115 CZ TYR A 73 -0.136 15.413 -11.955 1.00 1.41 C ATOM 1116 OH TYR A 73 -0.240 14.459 -10.969 1.00 71.12 O ATOM 0 H TYR A 73 -1.943 17.245 -15.481 1.00 73.34 H new ATOM 0 HA TYR A 73 -1.331 19.776 -14.413 1.00 75.32 H new ATOM 0 HB2 TYR A 73 0.505 17.912 -15.958 1.00 24.43 H new ATOM 0 HB3 TYR A 73 0.973 19.100 -14.758 1.00 24.43 H new ATOM 0 HD1 TYR A 73 -1.086 18.567 -12.635 1.00 73.41 H new ATOM 0 HD2 TYR A 73 1.213 15.869 -15.000 1.00 43.45 H new ATOM 0 HE1 TYR A 73 -1.275 16.865 -10.876 1.00 23.34 H new ATOM 0 HE2 TYR A 73 1.025 14.166 -13.244 1.00 12.00 H new ATOM 0 HH TYR A 73 0.232 13.647 -11.248 1.00 71.12 H new ATOM 1126 N LEU A 74 -1.318 19.558 -17.664 1.00 60.51 N ATOM 1127 CA LEU A 74 -1.217 20.324 -18.901 1.00 41.21 C ATOM 1128 C LEU A 74 -2.286 21.410 -18.958 1.00 14.24 C ATOM 1129 O LEU A 74 -2.042 22.510 -19.452 1.00 11.42 O ATOM 1130 CB LEU A 74 -1.350 19.398 -20.111 1.00 33.42 C ATOM 1131 CG LEU A 74 -1.353 20.078 -21.480 1.00 62.23 C ATOM 1132 CD1 LEU A 74 -0.202 21.066 -21.588 1.00 22.05 C ATOM 1133 CD2 LEU A 74 -1.273 19.041 -22.591 1.00 60.30 C ATOM 0 H LEU A 74 -1.691 18.616 -17.781 1.00 60.51 H new ATOM 0 HA LEU A 74 -0.238 20.802 -18.923 1.00 41.21 H new ATOM 0 HB2 LEU A 74 -0.530 18.681 -20.086 1.00 33.42 H new ATOM 0 HB3 LEU A 74 -2.274 18.829 -20.008 1.00 33.42 H new ATOM 0 HG LEU A 74 -2.288 20.627 -21.589 1.00 62.23 H new ATOM 0 HD11 LEU A 74 -0.220 21.540 -22.569 1.00 22.05 H new ATOM 0 HD12 LEU A 74 -0.303 21.828 -20.815 1.00 22.05 H new ATOM 0 HD13 LEU A 74 0.743 20.539 -21.457 1.00 22.05 H new ATOM 0 HD21 LEU A 74 -1.276 19.543 -23.558 1.00 60.30 H new ATOM 0 HD22 LEU A 74 -0.354 18.464 -22.485 1.00 60.30 H new ATOM 0 HD23 LEU A 74 -2.131 18.372 -22.527 1.00 60.30 H new ATOM 1145 N MET A 75 -3.471 21.094 -18.446 1.00 75.41 N ATOM 1146 CA MET A 75 -4.577 22.044 -18.435 1.00 54.15 C ATOM 1147 C MET A 75 -4.183 23.329 -17.713 1.00 74.43 C ATOM 1148 O MET A 75 -4.235 24.416 -18.288 1.00 11.33 O ATOM 1149 CB MET A 75 -5.805 21.424 -17.765 1.00 24.13 C ATOM 1150 CG MET A 75 -7.089 22.197 -18.014 1.00 13.32 C ATOM 1151 SD MET A 75 -8.207 21.343 -19.142 1.00 21.25 S ATOM 1152 CE MET A 75 -8.817 22.715 -20.118 1.00 21.11 C ATOM 0 H MET A 75 -3.690 20.187 -18.033 1.00 75.41 H new ATOM 0 HA MET A 75 -4.822 22.289 -19.468 1.00 54.15 H new ATOM 0 HB2 MET A 75 -5.929 20.403 -18.127 1.00 24.13 H new ATOM 0 HB3 MET A 75 -5.630 21.363 -16.691 1.00 24.13 H new ATOM 0 HG2 MET A 75 -7.597 22.366 -17.064 1.00 13.32 H new ATOM 0 HG3 MET A 75 -6.845 23.177 -18.424 1.00 13.32 H new ATOM 0 HE1 MET A 75 -9.522 22.346 -20.863 1.00 21.11 H new ATOM 0 HE2 MET A 75 -9.318 23.431 -19.466 1.00 21.11 H new ATOM 0 HE3 MET A 75 -7.982 23.204 -20.620 1.00 21.11 H new ATOM 1162 N PHE A 76 -3.790 23.196 -16.451 1.00 32.51 N ATOM 1163 CA PHE A 76 -3.389 24.346 -15.650 1.00 4.11 C ATOM 1164 C PHE A 76 -2.127 24.990 -16.218 1.00 13.44 C ATOM 1165 O PHE A 76 -1.953 26.208 -16.149 1.00 64.43 O ATOM 1166 CB PHE A 76 -3.151 23.926 -14.198 1.00 60.41 C ATOM 1167 CG PHE A 76 -4.387 23.422 -13.510 1.00 33.31 C ATOM 1168 CD1 PHE A 76 -5.544 24.185 -13.487 1.00 65.24 C ATOM 1169 CD2 PHE A 76 -4.393 22.185 -12.885 1.00 1.11 C ATOM 1170 CE1 PHE A 76 -6.683 23.724 -12.855 1.00 71.13 C ATOM 1171 CE2 PHE A 76 -5.529 21.719 -12.252 1.00 35.23 C ATOM 1172 CZ PHE A 76 -6.676 22.490 -12.236 1.00 25.42 C ATOM 0 H PHE A 76 -3.741 22.303 -15.961 1.00 32.51 H new ATOM 0 HA PHE A 76 -4.196 25.078 -15.681 1.00 4.11 H new ATOM 0 HB2 PHE A 76 -2.388 23.148 -14.174 1.00 60.41 H new ATOM 0 HB3 PHE A 76 -2.757 24.777 -13.642 1.00 60.41 H new ATOM 0 HD1 PHE A 76 -5.555 25.151 -13.969 1.00 65.24 H new ATOM 0 HD2 PHE A 76 -3.499 21.579 -12.893 1.00 1.11 H new ATOM 0 HE1 PHE A 76 -7.578 24.328 -12.845 1.00 71.13 H new ATOM 0 HE2 PHE A 76 -5.521 20.753 -11.770 1.00 35.23 H new ATOM 0 HZ PHE A 76 -7.565 22.128 -11.740 1.00 25.42 H new ATOM 1182 N THR A 77 -1.249 24.165 -16.778 1.00 70.33 N ATOM 1183 CA THR A 77 -0.003 24.652 -17.356 1.00 70.02 C ATOM 1184 C THR A 77 -0.266 25.731 -18.400 1.00 52.22 C ATOM 1185 O THR A 77 0.225 26.854 -18.283 1.00 72.54 O ATOM 1186 CB THR A 77 0.799 23.509 -18.007 1.00 2.22 C ATOM 1187 OG1 THR A 77 1.520 22.784 -17.004 1.00 44.42 O ATOM 1188 CG2 THR A 77 1.770 24.052 -19.044 1.00 42.04 C ATOM 0 H THR A 77 -1.378 23.155 -16.844 1.00 70.33 H new ATOM 0 HA THR A 77 0.580 25.076 -16.538 1.00 70.02 H new ATOM 0 HB THR A 77 0.097 22.840 -18.505 1.00 2.22 H new ATOM 0 HG1 THR A 77 0.891 22.268 -16.458 1.00 44.42 H new ATOM 0 HG21 THR A 77 2.325 23.227 -19.490 1.00 42.04 H new ATOM 0 HG22 THR A 77 1.216 24.578 -19.821 1.00 42.04 H new ATOM 0 HG23 THR A 77 2.466 24.741 -18.565 1.00 42.04 H new ATOM 1196 N MET A 78 -1.044 25.384 -19.420 1.00 53.11 N ATOM 1197 CA MET A 78 -1.374 26.325 -20.484 1.00 41.32 C ATOM 1198 C MET A 78 -1.988 27.599 -19.912 1.00 40.12 C ATOM 1199 O MET A 78 -1.713 28.701 -20.388 1.00 60.33 O ATOM 1200 CB MET A 78 -2.340 25.683 -21.481 1.00 61.24 C ATOM 1201 CG MET A 78 -1.646 24.866 -22.560 1.00 11.24 C ATOM 1202 SD MET A 78 -1.374 25.805 -24.075 1.00 4.24 S ATOM 1203 CE MET A 78 0.377 26.162 -23.941 1.00 55.34 C ATOM 0 H MET A 78 -1.458 24.458 -19.532 1.00 53.11 H new ATOM 0 HA MET A 78 -0.451 26.588 -21.001 1.00 41.32 H new ATOM 0 HB2 MET A 78 -3.034 25.040 -20.940 1.00 61.24 H new ATOM 0 HB3 MET A 78 -2.934 26.465 -21.954 1.00 61.24 H new ATOM 0 HG2 MET A 78 -0.688 24.510 -22.181 1.00 11.24 H new ATOM 0 HG3 MET A 78 -2.247 23.985 -22.786 1.00 11.24 H new ATOM 0 HE1 MET A 78 0.724 26.630 -24.862 1.00 55.34 H new ATOM 0 HE2 MET A 78 0.547 26.838 -23.103 1.00 55.34 H new ATOM 0 HE3 MET A 78 0.926 25.235 -23.776 1.00 55.34 H new ATOM 1213 N VAL A 79 -2.821 27.441 -18.889 1.00 12.44 N ATOM 1214 CA VAL A 79 -3.474 28.579 -18.251 1.00 44.05 C ATOM 1215 C VAL A 79 -2.448 29.541 -17.662 1.00 14.10 C ATOM 1216 O VAL A 79 -2.575 30.759 -17.795 1.00 40.14 O ATOM 1217 CB VAL A 79 -4.434 28.123 -17.137 1.00 11.41 C ATOM 1218 CG1 VAL A 79 -4.659 29.245 -16.134 1.00 72.13 C ATOM 1219 CG2 VAL A 79 -5.754 27.655 -17.730 1.00 70.33 C ATOM 0 H VAL A 79 -3.060 26.536 -18.484 1.00 12.44 H new ATOM 0 HA VAL A 79 -4.046 29.091 -19.025 1.00 44.05 H new ATOM 0 HB VAL A 79 -3.980 27.283 -16.611 1.00 11.41 H new ATOM 0 HG11 VAL A 79 -5.340 28.905 -15.354 1.00 72.13 H new ATOM 0 HG12 VAL A 79 -3.707 29.529 -15.686 1.00 72.13 H new ATOM 0 HG13 VAL A 79 -5.092 30.106 -16.643 1.00 72.13 H new ATOM 0 HG21 VAL A 79 -6.420 27.336 -16.928 1.00 70.33 H new ATOM 0 HG22 VAL A 79 -6.216 28.474 -18.282 1.00 70.33 H new ATOM 0 HG23 VAL A 79 -5.573 26.819 -18.406 1.00 70.33 H new ATOM 1229 N LEU A 80 -1.432 28.987 -17.010 1.00 12.21 N ATOM 1230 CA LEU A 80 -0.383 29.796 -16.399 1.00 41.13 C ATOM 1231 C LEU A 80 0.525 30.404 -17.464 1.00 15.53 C ATOM 1232 O LEU A 80 1.018 31.522 -17.309 1.00 73.23 O ATOM 1233 CB LEU A 80 0.444 28.948 -15.432 1.00 23.13 C ATOM 1234 CG LEU A 80 1.194 29.713 -14.340 1.00 53.15 C ATOM 1235 CD1 LEU A 80 0.285 29.970 -13.148 1.00 60.33 C ATOM 1236 CD2 LEU A 80 2.437 28.948 -13.911 1.00 1.22 C ATOM 0 H LEU A 80 -1.312 27.981 -16.891 1.00 12.21 H new ATOM 0 HA LEU A 80 -0.858 30.607 -15.847 1.00 41.13 H new ATOM 0 HB2 LEU A 80 -0.220 28.228 -14.953 1.00 23.13 H new ATOM 0 HB3 LEU A 80 1.170 28.376 -16.011 1.00 23.13 H new ATOM 0 HG LEU A 80 1.506 30.675 -14.746 1.00 53.15 H new ATOM 0 HD11 LEU A 80 0.836 30.515 -12.381 1.00 60.33 H new ATOM 0 HD12 LEU A 80 -0.574 30.560 -13.466 1.00 60.33 H new ATOM 0 HD13 LEU A 80 -0.059 29.019 -12.741 1.00 60.33 H new ATOM 0 HD21 LEU A 80 2.958 29.507 -13.134 1.00 1.22 H new ATOM 0 HD22 LEU A 80 2.147 27.971 -13.523 1.00 1.22 H new ATOM 0 HD23 LEU A 80 3.097 28.817 -14.768 1.00 1.22 H new ATOM 1248 N VAL A 81 0.739 29.662 -18.546 1.00 2.45 N ATOM 1249 CA VAL A 81 1.584 30.130 -19.638 1.00 25.23 C ATOM 1250 C VAL A 81 0.943 31.307 -20.364 1.00 22.20 C ATOM 1251 O VAL A 81 1.584 32.333 -20.595 1.00 31.13 O ATOM 1252 CB VAL A 81 1.864 29.005 -20.652 1.00 55.03 C ATOM 1253 CG1 VAL A 81 2.378 29.583 -21.962 1.00 70.40 C ATOM 1254 CG2 VAL A 81 2.853 28.003 -20.077 1.00 73.41 C ATOM 0 H VAL A 81 0.339 28.735 -18.690 1.00 2.45 H new ATOM 0 HA VAL A 81 2.526 30.451 -19.194 1.00 25.23 H new ATOM 0 HB VAL A 81 0.930 28.482 -20.855 1.00 55.03 H new ATOM 0 HG11 VAL A 81 2.570 28.774 -22.666 1.00 70.40 H new ATOM 0 HG12 VAL A 81 1.631 30.258 -22.380 1.00 70.40 H new ATOM 0 HG13 VAL A 81 3.302 30.132 -21.780 1.00 70.40 H new ATOM 0 HG21 VAL A 81 3.039 27.215 -20.807 1.00 73.41 H new ATOM 0 HG22 VAL A 81 3.789 28.509 -19.843 1.00 73.41 H new ATOM 0 HG23 VAL A 81 2.440 27.565 -19.168 1.00 73.41 H new ATOM 1264 N THR A 82 -0.328 31.153 -20.723 1.00 23.43 N ATOM 1265 CA THR A 82 -1.057 32.202 -21.424 1.00 23.13 C ATOM 1266 C THR A 82 -0.977 33.525 -20.670 1.00 64.42 C ATOM 1267 O THR A 82 -0.757 34.579 -21.267 1.00 64.54 O ATOM 1268 CB THR A 82 -2.537 31.824 -21.618 1.00 72.31 C ATOM 1269 OG1 THR A 82 -2.639 30.634 -22.409 1.00 53.40 O ATOM 1270 CG2 THR A 82 -3.301 32.954 -22.292 1.00 5.01 C ATOM 0 H THR A 82 -0.874 30.311 -20.539 1.00 23.43 H new ATOM 0 HA THR A 82 -0.587 32.314 -22.401 1.00 23.13 H new ATOM 0 HB THR A 82 -2.975 31.646 -20.636 1.00 72.31 H new ATOM 0 HG1 THR A 82 -2.358 29.862 -21.876 1.00 53.40 H new ATOM 0 HG21 THR A 82 -4.344 32.663 -22.418 1.00 5.01 H new ATOM 0 HG22 THR A 82 -3.246 33.850 -21.673 1.00 5.01 H new ATOM 0 HG23 THR A 82 -2.861 33.159 -23.268 1.00 5.01 H new ATOM 1278 N PHE A 83 -1.156 33.463 -19.355 1.00 22.31 N ATOM 1279 CA PHE A 83 -1.104 34.657 -18.519 1.00 71.42 C ATOM 1280 C PHE A 83 0.236 35.369 -18.672 1.00 4.54 C ATOM 1281 O PHE A 83 0.289 36.590 -18.819 1.00 2.54 O ATOM 1282 CB PHE A 83 -1.335 34.289 -17.052 1.00 62.51 C ATOM 1283 CG PHE A 83 -2.747 34.515 -16.592 1.00 63.12 C ATOM 1284 CD1 PHE A 83 -3.804 33.873 -17.217 1.00 0.12 C ATOM 1285 CD2 PHE A 83 -3.016 35.369 -15.535 1.00 35.20 C ATOM 1286 CE1 PHE A 83 -5.104 34.080 -16.796 1.00 50.40 C ATOM 1287 CE2 PHE A 83 -4.315 35.580 -15.109 1.00 64.45 C ATOM 1288 CZ PHE A 83 -5.360 34.934 -15.740 1.00 64.43 C ATOM 0 H PHE A 83 -1.338 32.599 -18.845 1.00 22.31 H new ATOM 0 HA PHE A 83 -1.894 35.333 -18.845 1.00 71.42 H new ATOM 0 HB2 PHE A 83 -1.077 33.241 -16.904 1.00 62.51 H new ATOM 0 HB3 PHE A 83 -0.660 34.875 -16.428 1.00 62.51 H new ATOM 0 HD1 PHE A 83 -3.610 33.204 -18.042 1.00 0.12 H new ATOM 0 HD2 PHE A 83 -2.202 35.876 -15.038 1.00 35.20 H new ATOM 0 HE1 PHE A 83 -5.919 33.575 -17.292 1.00 50.40 H new ATOM 0 HE2 PHE A 83 -4.512 36.249 -14.284 1.00 64.45 H new ATOM 0 HZ PHE A 83 -6.375 35.096 -15.409 1.00 64.43 H new ATOM 1298 N SER A 84 1.318 34.598 -18.635 1.00 31.43 N ATOM 1299 CA SER A 84 2.659 35.155 -18.764 1.00 63.41 C ATOM 1300 C SER A 84 2.795 35.949 -20.059 1.00 41.05 C ATOM 1301 O SER A 84 3.304 37.070 -20.062 1.00 44.12 O ATOM 1302 CB SER A 84 3.704 34.038 -18.726 1.00 21.43 C ATOM 1303 OG SER A 84 3.677 33.357 -17.483 1.00 65.11 O ATOM 0 H SER A 84 1.292 33.585 -18.517 1.00 31.43 H new ATOM 0 HA SER A 84 2.828 35.830 -17.925 1.00 63.41 H new ATOM 0 HB2 SER A 84 3.516 33.332 -19.535 1.00 21.43 H new ATOM 0 HB3 SER A 84 4.696 34.458 -18.893 1.00 21.43 H new ATOM 0 HG SER A 84 2.870 32.803 -17.431 1.00 65.11 H new ATOM 1309 N ILE A 85 2.336 35.360 -21.158 1.00 71.33 N ATOM 1310 CA ILE A 85 2.405 36.012 -22.460 1.00 13.00 C ATOM 1311 C ILE A 85 1.685 37.356 -22.440 1.00 12.21 C ATOM 1312 O ILE A 85 2.201 38.356 -22.939 1.00 54.40 O ATOM 1313 CB ILE A 85 1.792 35.131 -23.564 1.00 70.34 C ATOM 1314 CG1 ILE A 85 2.449 33.749 -23.567 1.00 74.33 C ATOM 1315 CG2 ILE A 85 1.946 35.799 -24.922 1.00 44.32 C ATOM 1316 CD1 ILE A 85 3.958 33.797 -23.647 1.00 3.20 C ATOM 0 H ILE A 85 1.912 34.432 -21.173 1.00 71.33 H new ATOM 0 HA ILE A 85 3.461 36.171 -22.678 1.00 13.00 H new ATOM 0 HB ILE A 85 0.728 35.007 -23.361 1.00 70.34 H new ATOM 0 HG12 ILE A 85 2.158 33.216 -22.662 1.00 74.33 H new ATOM 0 HG13 ILE A 85 2.067 33.176 -24.412 1.00 74.33 H new ATOM 0 HG21 ILE A 85 1.508 35.164 -25.692 1.00 44.32 H new ATOM 0 HG22 ILE A 85 1.437 36.763 -24.913 1.00 44.32 H new ATOM 0 HG23 ILE A 85 3.004 35.950 -25.135 1.00 44.32 H new ATOM 0 HD11 ILE A 85 4.355 32.782 -23.645 1.00 3.20 H new ATOM 0 HD12 ILE A 85 4.258 34.302 -24.565 1.00 3.20 H new ATOM 0 HD13 ILE A 85 4.351 34.342 -22.789 1.00 3.20 H new ATOM 1328 N VAL A 86 0.490 37.373 -21.858 1.00 31.21 N ATOM 1329 CA VAL A 86 -0.301 38.595 -21.770 1.00 24.25 C ATOM 1330 C VAL A 86 0.430 39.665 -20.967 1.00 1.14 C ATOM 1331 O VAL A 86 0.211 40.861 -21.161 1.00 10.34 O ATOM 1332 CB VAL A 86 -1.673 38.330 -21.122 1.00 3.11 C ATOM 1333 CG1 VAL A 86 -2.449 39.629 -20.964 1.00 65.13 C ATOM 1334 CG2 VAL A 86 -2.464 37.323 -21.943 1.00 43.34 C ATOM 0 H VAL A 86 0.048 36.554 -21.440 1.00 31.21 H new ATOM 0 HA VAL A 86 -0.452 38.949 -22.790 1.00 24.25 H new ATOM 0 HB VAL A 86 -1.512 37.909 -20.130 1.00 3.11 H new ATOM 0 HG11 VAL A 86 -3.416 39.422 -20.505 1.00 65.13 H new ATOM 0 HG12 VAL A 86 -1.886 40.315 -20.331 1.00 65.13 H new ATOM 0 HG13 VAL A 86 -2.602 40.083 -21.943 1.00 65.13 H new ATOM 0 HG21 VAL A 86 -3.431 37.148 -21.471 1.00 43.34 H new ATOM 0 HG22 VAL A 86 -2.617 37.714 -22.949 1.00 43.34 H new ATOM 0 HG23 VAL A 86 -1.912 36.385 -21.999 1.00 43.34 H new ATOM 1344 N THR A 87 1.301 39.228 -20.063 1.00 24.53 N ATOM 1345 CA THR A 87 2.065 40.147 -19.229 1.00 51.41 C ATOM 1346 C THR A 87 3.251 40.726 -19.992 1.00 61.42 C ATOM 1347 O THR A 87 3.423 41.942 -20.061 1.00 43.44 O ATOM 1348 CB THR A 87 2.578 39.455 -17.953 1.00 25.42 C ATOM 1349 OG1 THR A 87 1.644 38.456 -17.528 1.00 24.12 O ATOM 1350 CG2 THR A 87 2.791 40.466 -16.836 1.00 73.32 C ATOM 0 H THR A 87 1.495 38.242 -19.890 1.00 24.53 H new ATOM 0 HA THR A 87 1.389 40.954 -18.948 1.00 51.41 H new ATOM 0 HB THR A 87 3.534 38.984 -18.182 1.00 25.42 H new ATOM 0 HG1 THR A 87 1.688 37.688 -18.135 1.00 24.12 H new ATOM 0 HG21 THR A 87 3.153 39.953 -15.945 1.00 73.32 H new ATOM 0 HG22 THR A 87 3.525 41.208 -17.152 1.00 73.32 H new ATOM 0 HG23 THR A 87 1.847 40.963 -16.610 1.00 73.32 H new ATOM 1358 N SER A 88 4.066 39.846 -20.564 1.00 65.55 N ATOM 1359 CA SER A 88 5.239 40.269 -21.321 1.00 0.22 C ATOM 1360 C SER A 88 4.833 41.108 -22.528 1.00 55.34 C ATOM 1361 O SER A 88 5.498 42.085 -22.873 1.00 0.25 O ATOM 1362 CB SER A 88 6.044 39.051 -21.779 1.00 53.52 C ATOM 1363 OG SER A 88 5.294 38.255 -22.680 1.00 64.32 O ATOM 0 H SER A 88 3.936 38.835 -20.518 1.00 65.55 H new ATOM 0 HA SER A 88 5.861 40.881 -20.668 1.00 0.22 H new ATOM 0 HB2 SER A 88 6.966 39.380 -22.259 1.00 53.52 H new ATOM 0 HB3 SER A 88 6.331 38.454 -20.913 1.00 53.52 H new ATOM 0 HG SER A 88 5.830 37.484 -22.960 1.00 64.32 H new ATOM 1369 N VAL A 89 3.734 40.720 -23.169 1.00 23.44 N ATOM 1370 CA VAL A 89 3.237 41.435 -24.337 1.00 51.43 C ATOM 1371 C VAL A 89 2.821 42.857 -23.975 1.00 73.32 C ATOM 1372 O VAL A 89 3.132 43.808 -24.693 1.00 64.42 O ATOM 1373 CB VAL A 89 2.038 40.707 -24.973 1.00 52.31 C ATOM 1374 CG1 VAL A 89 1.291 41.634 -25.920 1.00 14.44 C ATOM 1375 CG2 VAL A 89 2.500 39.452 -25.698 1.00 3.24 C ATOM 0 H VAL A 89 3.171 39.914 -22.898 1.00 23.44 H new ATOM 0 HA VAL A 89 4.054 41.471 -25.057 1.00 51.43 H new ATOM 0 HB VAL A 89 1.354 40.409 -24.179 1.00 52.31 H new ATOM 0 HG11 VAL A 89 0.447 41.102 -26.360 1.00 14.44 H new ATOM 0 HG12 VAL A 89 0.926 42.500 -25.368 1.00 14.44 H new ATOM 0 HG13 VAL A 89 1.964 41.965 -26.711 1.00 14.44 H new ATOM 0 HG21 VAL A 89 1.640 38.950 -26.141 1.00 3.24 H new ATOM 0 HG22 VAL A 89 3.206 39.724 -26.483 1.00 3.24 H new ATOM 0 HG23 VAL A 89 2.986 38.781 -24.990 1.00 3.24 H new ATOM 1385 N CYS A 90 2.116 42.994 -22.858 1.00 14.11 N ATOM 1386 CA CYS A 90 1.656 44.300 -22.400 1.00 13.32 C ATOM 1387 C CYS A 90 2.832 45.248 -22.189 1.00 23.31 C ATOM 1388 O CYS A 90 2.739 46.442 -22.471 1.00 44.35 O ATOM 1389 CB CYS A 90 0.861 44.158 -21.101 1.00 21.41 C ATOM 1390 SG CYS A 90 -0.396 45.435 -20.860 1.00 44.02 S ATOM 0 H CYS A 90 1.850 42.217 -22.253 1.00 14.11 H new ATOM 0 HA CYS A 90 1.008 44.719 -23.170 1.00 13.32 H new ATOM 0 HB2 CYS A 90 0.378 43.181 -21.089 1.00 21.41 H new ATOM 0 HB3 CYS A 90 1.553 44.182 -20.260 1.00 21.41 H new ATOM 0 HG CYS A 90 -1.015 45.228 -19.736 1.00 44.02 H new ATOM 1396 N VAL A 91 3.939 44.707 -21.689 1.00 32.21 N ATOM 1397 CA VAL A 91 5.134 45.504 -21.439 1.00 71.42 C ATOM 1398 C VAL A 91 5.664 46.119 -22.730 1.00 14.15 C ATOM 1399 O VAL A 91 5.912 47.323 -22.800 1.00 2.54 O ATOM 1400 CB VAL A 91 6.247 44.658 -20.792 1.00 10.41 C ATOM 1401 CG1 VAL A 91 7.527 45.470 -20.663 1.00 21.33 C ATOM 1402 CG2 VAL A 91 5.798 44.136 -19.436 1.00 21.24 C ATOM 0 H VAL A 91 4.033 43.720 -21.449 1.00 32.21 H new ATOM 0 HA VAL A 91 4.846 46.300 -20.752 1.00 71.42 H new ATOM 0 HB VAL A 91 6.451 43.802 -21.436 1.00 10.41 H new ATOM 0 HG11 VAL A 91 8.302 44.857 -20.204 1.00 21.33 H new ATOM 0 HG12 VAL A 91 7.856 45.791 -21.652 1.00 21.33 H new ATOM 0 HG13 VAL A 91 7.341 46.346 -20.041 1.00 21.33 H new ATOM 0 HG21 VAL A 91 6.596 43.540 -18.993 1.00 21.24 H new ATOM 0 HG22 VAL A 91 5.566 44.976 -18.781 1.00 21.24 H new ATOM 0 HG23 VAL A 91 4.910 43.517 -19.560 1.00 21.24 H new ATOM 1412 N LEU A 92 5.834 45.285 -23.750 1.00 12.44 N ATOM 1413 CA LEU A 92 6.334 45.747 -25.040 1.00 53.20 C ATOM 1414 C LEU A 92 5.404 46.797 -25.640 1.00 1.42 C ATOM 1415 O LEU A 92 5.787 47.954 -25.812 1.00 63.43 O ATOM 1416 CB LEU A 92 6.480 44.569 -26.004 1.00 74.51 C ATOM 1417 CG LEU A 92 7.893 44.295 -26.521 1.00 14.12 C ATOM 1418 CD1 LEU A 92 8.019 42.855 -26.994 1.00 14.31 C ATOM 1419 CD2 LEU A 92 8.246 45.260 -27.643 1.00 40.11 C ATOM 0 H LEU A 92 5.633 44.286 -23.709 1.00 12.44 H new ATOM 0 HA LEU A 92 7.312 46.202 -24.881 1.00 53.20 H new ATOM 0 HB2 LEU A 92 6.117 43.670 -25.505 1.00 74.51 H new ATOM 0 HB3 LEU A 92 5.829 44.744 -26.861 1.00 74.51 H new ATOM 0 HG LEU A 92 8.595 44.449 -25.702 1.00 14.12 H new ATOM 0 HD11 LEU A 92 9.031 42.679 -27.358 1.00 14.31 H new ATOM 0 HD12 LEU A 92 7.809 42.180 -26.164 1.00 14.31 H new ATOM 0 HD13 LEU A 92 7.307 42.673 -27.799 1.00 14.31 H new ATOM 0 HD21 LEU A 92 9.255 45.051 -27.999 1.00 40.11 H new ATOM 0 HD22 LEU A 92 7.539 45.138 -28.464 1.00 40.11 H new ATOM 0 HD23 LEU A 92 8.197 46.284 -27.271 1.00 40.11 H new ATOM 1632 N GLY A 108 2.878 50.266 -9.196 1.00 42.22 N ATOM 1633 CA GLY A 108 2.305 49.322 -8.256 1.00 35.25 C ATOM 1634 C GLY A 108 1.515 48.225 -8.943 1.00 45.31 C ATOM 1635 O GLY A 108 1.460 47.095 -8.459 1.00 33.44 O ATOM 0 HA2 GLY A 108 3.103 48.874 -7.664 1.00 35.25 H new ATOM 0 HA3 GLY A 108 1.654 49.854 -7.563 1.00 35.25 H new ATOM 1639 N ILE A 109 0.903 48.560 -10.074 1.00 31.51 N ATOM 1640 CA ILE A 109 0.113 47.594 -10.828 1.00 52.52 C ATOM 1641 C ILE A 109 0.903 46.315 -11.081 1.00 32.23 C ATOM 1642 O ILE A 109 0.345 45.217 -11.072 1.00 44.11 O ATOM 1643 CB ILE A 109 -0.347 48.176 -12.178 1.00 64.44 C ATOM 1644 CG1 ILE A 109 -0.911 47.068 -13.070 1.00 20.52 C ATOM 1645 CG2 ILE A 109 0.808 48.883 -12.871 1.00 4.31 C ATOM 1646 CD1 ILE A 109 0.094 46.515 -14.057 1.00 12.34 C ATOM 0 H ILE A 109 0.939 49.492 -10.488 1.00 31.51 H new ATOM 0 HA ILE A 109 -0.764 47.362 -10.223 1.00 52.52 H new ATOM 0 HB ILE A 109 -1.136 48.905 -11.993 1.00 64.44 H new ATOM 0 HG12 ILE A 109 -1.274 46.256 -12.440 1.00 20.52 H new ATOM 0 HG13 ILE A 109 -1.770 47.456 -13.618 1.00 20.52 H new ATOM 0 HG21 ILE A 109 0.467 49.289 -13.824 1.00 4.31 H new ATOM 0 HG22 ILE A 109 1.170 49.694 -12.239 1.00 4.31 H new ATOM 0 HG23 ILE A 109 1.616 48.173 -13.047 1.00 4.31 H new ATOM 0 HD11 ILE A 109 -0.375 45.734 -14.655 1.00 12.34 H new ATOM 0 HD12 ILE A 109 0.439 47.315 -14.711 1.00 12.34 H new ATOM 0 HD13 ILE A 109 0.943 46.097 -13.516 1.00 12.34 H new ATOM 1658 N ASP A 110 2.204 46.464 -11.303 1.00 71.44 N ATOM 1659 CA ASP A 110 3.072 45.320 -11.555 1.00 63.55 C ATOM 1660 C ASP A 110 3.107 44.388 -10.348 1.00 65.42 C ATOM 1661 O ASP A 110 2.999 43.169 -10.489 1.00 11.43 O ATOM 1662 CB ASP A 110 4.488 45.791 -11.893 1.00 34.01 C ATOM 1663 CG ASP A 110 4.587 46.370 -13.290 1.00 41.34 C ATOM 1664 OD1 ASP A 110 3.530 46.642 -13.897 1.00 73.01 O ATOM 1665 OD2 ASP A 110 5.722 46.553 -13.777 1.00 64.20 O ATOM 0 H ASP A 110 2.681 47.366 -11.314 1.00 71.44 H new ATOM 0 HA ASP A 110 2.668 44.770 -12.405 1.00 63.55 H new ATOM 0 HB2 ASP A 110 4.800 46.543 -11.168 1.00 34.01 H new ATOM 0 HB3 ASP A 110 5.178 44.953 -11.800 1.00 34.01 H new ATOM 1670 N ARG A 111 3.261 44.969 -9.163 1.00 30.32 N ATOM 1671 CA ARG A 111 3.313 44.190 -7.931 1.00 40.23 C ATOM 1672 C ARG A 111 2.069 43.318 -7.786 1.00 42.33 C ATOM 1673 O ARG A 111 2.156 42.156 -7.388 1.00 15.04 O ATOM 1674 CB ARG A 111 3.443 45.118 -6.722 1.00 33.44 C ATOM 1675 CG ARG A 111 4.822 45.098 -6.084 1.00 45.35 C ATOM 1676 CD ARG A 111 5.798 45.987 -6.840 1.00 73.05 C ATOM 1677 NE ARG A 111 5.926 47.306 -6.226 1.00 22.52 N ATOM 1678 CZ ARG A 111 6.531 47.518 -5.062 1.00 53.23 C ATOM 1679 NH1 ARG A 111 7.060 46.504 -4.391 1.00 53.42 N ATOM 1680 NH2 ARG A 111 6.607 48.747 -4.568 1.00 4.20 N ATOM 0 H ARG A 111 3.352 45.976 -9.030 1.00 30.32 H new ATOM 0 HA ARG A 111 4.187 43.540 -7.977 1.00 40.23 H new ATOM 0 HB2 ARG A 111 3.209 46.137 -7.030 1.00 33.44 H new ATOM 0 HB3 ARG A 111 2.702 44.833 -5.975 1.00 33.44 H new ATOM 0 HG2 ARG A 111 4.750 45.432 -5.049 1.00 45.35 H new ATOM 0 HG3 ARG A 111 5.200 44.076 -6.063 1.00 45.35 H new ATOM 0 HD2 ARG A 111 6.776 45.506 -6.873 1.00 73.05 H new ATOM 0 HD3 ARG A 111 5.463 46.098 -7.871 1.00 73.05 H new ATOM 0 HE ARG A 111 5.530 48.107 -6.717 1.00 22.52 H new ATOM 0 HH11 ARG A 111 7.003 45.558 -4.768 1.00 53.42 H new ATOM 0 HH12 ARG A 111 7.524 46.670 -3.498 1.00 53.42 H new ATOM 0 HH21 ARG A 111 6.201 49.529 -5.082 1.00 4.20 H new ATOM 0 HH22 ARG A 111 7.071 48.910 -3.675 1.00 4.20 H new ATOM 1694 N LEU A 112 0.914 43.887 -8.112 1.00 35.22 N ATOM 1695 CA LEU A 112 -0.349 43.162 -8.018 1.00 20.13 C ATOM 1696 C LEU A 112 -0.348 41.945 -8.937 1.00 60.03 C ATOM 1697 O LEU A 112 -0.665 40.833 -8.514 1.00 11.34 O ATOM 1698 CB LEU A 112 -1.517 44.084 -8.374 1.00 23.40 C ATOM 1699 CG LEU A 112 -2.646 44.163 -7.347 1.00 15.33 C ATOM 1700 CD1 LEU A 112 -2.339 45.218 -6.296 1.00 2.44 C ATOM 1701 CD2 LEU A 112 -3.971 44.462 -8.033 1.00 54.11 C ATOM 0 H LEU A 112 0.825 44.848 -8.444 1.00 35.22 H new ATOM 0 HA LEU A 112 -0.466 42.818 -6.990 1.00 20.13 H new ATOM 0 HB2 LEU A 112 -1.125 45.089 -8.532 1.00 23.40 H new ATOM 0 HB3 LEU A 112 -1.939 43.753 -9.323 1.00 23.40 H new ATOM 0 HG LEU A 112 -2.727 43.196 -6.850 1.00 15.33 H new ATOM 0 HD11 LEU A 112 -3.154 45.260 -5.573 1.00 2.44 H new ATOM 0 HD12 LEU A 112 -1.412 44.962 -5.783 1.00 2.44 H new ATOM 0 HD13 LEU A 112 -2.230 46.190 -6.777 1.00 2.44 H new ATOM 0 HD21 LEU A 112 -4.763 44.515 -7.286 1.00 54.11 H new ATOM 0 HD22 LEU A 112 -3.902 45.415 -8.557 1.00 54.11 H new ATOM 0 HD23 LEU A 112 -4.198 43.671 -8.747 1.00 54.11 H new ATOM 1713 N PHE A 113 0.013 42.163 -10.198 1.00 34.53 N ATOM 1714 CA PHE A 113 0.056 41.083 -11.177 1.00 45.35 C ATOM 1715 C PHE A 113 0.986 39.966 -10.714 1.00 65.33 C ATOM 1716 O PHE A 113 0.765 38.792 -11.016 1.00 55.45 O ATOM 1717 CB PHE A 113 0.519 41.617 -12.535 1.00 75.10 C ATOM 1718 CG PHE A 113 -0.378 41.219 -13.672 1.00 72.13 C ATOM 1719 CD1 PHE A 113 -0.681 39.886 -13.899 1.00 54.23 C ATOM 1720 CD2 PHE A 113 -0.918 42.178 -14.515 1.00 24.33 C ATOM 1721 CE1 PHE A 113 -1.507 39.517 -14.945 1.00 23.53 C ATOM 1722 CE2 PHE A 113 -1.744 41.814 -15.561 1.00 43.14 C ATOM 1723 CZ PHE A 113 -2.038 40.482 -15.777 1.00 64.14 C ATOM 0 H PHE A 113 0.280 43.077 -10.565 1.00 34.53 H new ATOM 0 HA PHE A 113 -0.950 40.676 -11.277 1.00 45.35 H new ATOM 0 HB2 PHE A 113 0.574 42.705 -12.489 1.00 75.10 H new ATOM 0 HB3 PHE A 113 1.528 41.255 -12.734 1.00 75.10 H new ATOM 0 HD1 PHE A 113 -0.267 39.127 -13.252 1.00 54.23 H new ATOM 0 HD2 PHE A 113 -0.690 43.221 -14.352 1.00 24.33 H new ATOM 0 HE1 PHE A 113 -1.736 38.475 -15.111 1.00 23.53 H new ATOM 0 HE2 PHE A 113 -2.160 42.571 -16.210 1.00 43.14 H new ATOM 0 HZ PHE A 113 -2.682 40.196 -16.595 1.00 64.14 H new ATOM 1733 N LEU A 114 2.029 40.338 -9.980 1.00 13.23 N ATOM 1734 CA LEU A 114 2.994 39.368 -9.474 1.00 42.32 C ATOM 1735 C LEU A 114 2.419 38.592 -8.294 1.00 3.24 C ATOM 1736 O LEU A 114 2.504 37.365 -8.245 1.00 11.13 O ATOM 1737 CB LEU A 114 4.285 40.075 -9.055 1.00 74.31 C ATOM 1738 CG LEU A 114 5.551 39.659 -9.804 1.00 22.30 C ATOM 1739 CD1 LEU A 114 5.704 40.465 -11.084 1.00 53.31 C ATOM 1740 CD2 LEU A 114 6.775 39.827 -8.916 1.00 45.41 C ATOM 0 H LEU A 114 2.228 41.305 -9.722 1.00 13.23 H new ATOM 0 HA LEU A 114 3.217 38.662 -10.274 1.00 42.32 H new ATOM 0 HB2 LEU A 114 4.146 41.148 -9.185 1.00 74.31 H new ATOM 0 HB3 LEU A 114 4.442 39.900 -7.991 1.00 74.31 H new ATOM 0 HG LEU A 114 5.462 38.606 -10.071 1.00 22.30 H new ATOM 0 HD11 LEU A 114 6.611 40.155 -11.603 1.00 53.31 H new ATOM 0 HD12 LEU A 114 4.841 40.294 -11.727 1.00 53.31 H new ATOM 0 HD13 LEU A 114 5.770 41.525 -10.841 1.00 53.31 H new ATOM 0 HD21 LEU A 114 7.667 39.526 -9.465 1.00 45.41 H new ATOM 0 HD22 LEU A 114 6.867 40.871 -8.618 1.00 45.41 H new ATOM 0 HD23 LEU A 114 6.669 39.204 -8.028 1.00 45.41 H new ATOM 1752 N TRP A 115 1.833 39.315 -7.346 1.00 44.43 N ATOM 1753 CA TRP A 115 1.242 38.694 -6.167 1.00 0.04 C ATOM 1754 C TRP A 115 0.255 37.602 -6.564 1.00 21.24 C ATOM 1755 O TRP A 115 0.239 36.522 -5.971 1.00 13.50 O ATOM 1756 CB TRP A 115 0.539 39.747 -5.309 1.00 14.02 C ATOM 1757 CG TRP A 115 0.063 39.218 -3.990 1.00 23.34 C ATOM 1758 CD1 TRP A 115 -1.048 38.457 -3.764 1.00 73.02 C ATOM 1759 CD2 TRP A 115 0.685 39.411 -2.714 1.00 53.44 C ATOM 1760 NE1 TRP A 115 -1.155 38.166 -2.426 1.00 14.25 N ATOM 1761 CE2 TRP A 115 -0.104 38.739 -1.760 1.00 52.42 C ATOM 1762 CE3 TRP A 115 1.831 40.085 -2.286 1.00 4.21 C ATOM 1763 CZ2 TRP A 115 0.218 38.724 -0.406 1.00 3.32 C ATOM 1764 CZ3 TRP A 115 2.150 40.070 -0.941 1.00 71.43 C ATOM 1765 CH2 TRP A 115 1.346 39.392 -0.014 1.00 45.43 C ATOM 0 H TRP A 115 1.755 40.332 -7.371 1.00 44.43 H new ATOM 0 HA TRP A 115 2.044 38.239 -5.586 1.00 0.04 H new ATOM 0 HB2 TRP A 115 1.223 40.578 -5.134 1.00 14.02 H new ATOM 0 HB3 TRP A 115 -0.312 40.146 -5.861 1.00 14.02 H new ATOM 0 HD1 TRP A 115 -1.741 38.132 -4.526 1.00 73.02 H new ATOM 0 HE1 TRP A 115 -1.897 37.613 -1.998 1.00 14.25 H new ATOM 0 HE3 TRP A 115 2.457 40.609 -2.993 1.00 4.21 H new ATOM 0 HZ2 TRP A 115 -0.401 38.203 0.310 1.00 3.32 H new ATOM 0 HZ3 TRP A 115 3.033 40.589 -0.599 1.00 71.43 H new ATOM 0 HH2 TRP A 115 1.622 39.397 1.030 1.00 45.43 H new ATOM 1776 N ILE A 116 -0.565 37.888 -7.569 1.00 13.54 N ATOM 1777 CA ILE A 116 -1.554 36.929 -8.044 1.00 70.14 C ATOM 1778 C ILE A 116 -0.895 35.812 -8.846 1.00 65.11 C ATOM 1779 O ILE A 116 -1.433 34.710 -8.955 1.00 41.00 O ATOM 1780 CB ILE A 116 -2.624 37.610 -8.918 1.00 72.31 C ATOM 1781 CG1 ILE A 116 -1.987 38.192 -10.182 1.00 14.24 C ATOM 1782 CG2 ILE A 116 -3.339 38.697 -8.129 1.00 70.53 C ATOM 1783 CD1 ILE A 116 -2.979 38.872 -11.100 1.00 30.42 C ATOM 0 H ILE A 116 -0.564 38.776 -8.070 1.00 13.54 H new ATOM 0 HA ILE A 116 -2.033 36.506 -7.161 1.00 70.14 H new ATOM 0 HB ILE A 116 -3.359 36.862 -9.216 1.00 72.31 H new ATOM 0 HG12 ILE A 116 -1.219 38.910 -9.895 1.00 14.24 H new ATOM 0 HG13 ILE A 116 -1.487 37.392 -10.729 1.00 14.24 H new ATOM 0 HG21 ILE A 116 -4.092 39.169 -8.760 1.00 70.53 H new ATOM 0 HG22 ILE A 116 -3.821 38.256 -7.257 1.00 70.53 H new ATOM 0 HG23 ILE A 116 -2.617 39.446 -7.804 1.00 70.53 H new ATOM 0 HD11 ILE A 116 -2.458 39.261 -11.975 1.00 30.42 H new ATOM 0 HD12 ILE A 116 -3.734 38.152 -11.417 1.00 30.42 H new ATOM 0 HD13 ILE A 116 -3.461 39.694 -10.570 1.00 30.42 H new ATOM 1795 N PHE A 117 0.276 36.103 -9.405 1.00 15.34 N ATOM 1796 CA PHE A 117 1.010 35.123 -10.196 1.00 41.21 C ATOM 1797 C PHE A 117 1.626 34.052 -9.300 1.00 41.45 C ATOM 1798 O PHE A 117 1.507 32.857 -9.570 1.00 55.22 O ATOM 1799 CB PHE A 117 2.105 35.813 -11.013 1.00 30.04 C ATOM 1800 CG PHE A 117 2.908 34.867 -11.858 1.00 62.43 C ATOM 1801 CD1 PHE A 117 2.290 33.830 -12.539 1.00 43.34 C ATOM 1802 CD2 PHE A 117 4.281 35.013 -11.972 1.00 4.03 C ATOM 1803 CE1 PHE A 117 3.026 32.958 -13.319 1.00 24.22 C ATOM 1804 CE2 PHE A 117 5.023 34.144 -12.750 1.00 14.01 C ATOM 1805 CZ PHE A 117 4.395 33.114 -13.423 1.00 54.42 C ATOM 0 H PHE A 117 0.736 37.010 -9.324 1.00 15.34 H new ATOM 0 HA PHE A 117 0.307 34.642 -10.876 1.00 41.21 H new ATOM 0 HB2 PHE A 117 1.648 36.564 -11.657 1.00 30.04 H new ATOM 0 HB3 PHE A 117 2.776 36.340 -10.335 1.00 30.04 H new ATOM 0 HD1 PHE A 117 1.221 33.702 -12.459 1.00 43.34 H new ATOM 0 HD2 PHE A 117 4.778 35.815 -11.447 1.00 4.03 H new ATOM 0 HE1 PHE A 117 2.532 32.156 -13.847 1.00 24.22 H new ATOM 0 HE2 PHE A 117 6.092 34.270 -12.832 1.00 14.01 H new ATOM 0 HZ PHE A 117 4.973 32.432 -14.029 1.00 54.42 H new ATOM 1815 N VAL A 118 2.287 34.490 -8.233 1.00 54.32 N ATOM 1816 CA VAL A 118 2.922 33.571 -7.297 1.00 34.33 C ATOM 1817 C VAL A 118 1.881 32.774 -6.518 1.00 30.01 C ATOM 1818 O VAL A 118 2.150 31.665 -6.056 1.00 64.24 O ATOM 1819 CB VAL A 118 3.828 34.320 -6.302 1.00 64.23 C ATOM 1820 CG1 VAL A 118 4.665 33.337 -5.498 1.00 24.11 C ATOM 1821 CG2 VAL A 118 4.717 35.313 -7.036 1.00 15.30 C ATOM 0 H VAL A 118 2.396 35.476 -7.996 1.00 54.32 H new ATOM 0 HA VAL A 118 3.531 32.888 -7.889 1.00 34.33 H new ATOM 0 HB VAL A 118 3.196 34.875 -5.608 1.00 64.23 H new ATOM 0 HG11 VAL A 118 5.299 33.884 -4.800 1.00 24.11 H new ATOM 0 HG12 VAL A 118 4.007 32.668 -4.943 1.00 24.11 H new ATOM 0 HG13 VAL A 118 5.290 32.753 -6.174 1.00 24.11 H new ATOM 0 HG21 VAL A 118 5.351 35.834 -6.318 1.00 15.30 H new ATOM 0 HG22 VAL A 118 5.342 34.781 -7.753 1.00 15.30 H new ATOM 0 HG23 VAL A 118 4.096 36.037 -7.563 1.00 15.30 H new ATOM 1831 N PHE A 119 0.690 33.347 -6.375 1.00 63.45 N ATOM 1832 CA PHE A 119 -0.392 32.690 -5.652 1.00 11.13 C ATOM 1833 C PHE A 119 -0.830 31.415 -6.367 1.00 52.52 C ATOM 1834 O PHE A 119 -0.786 30.324 -5.799 1.00 15.54 O ATOM 1835 CB PHE A 119 -1.583 33.639 -5.502 1.00 1.14 C ATOM 1836 CG PHE A 119 -2.713 33.061 -4.698 1.00 63.13 C ATOM 1837 CD1 PHE A 119 -2.548 32.775 -3.353 1.00 20.33 C ATOM 1838 CD2 PHE A 119 -3.939 32.803 -5.289 1.00 13.10 C ATOM 1839 CE1 PHE A 119 -3.586 32.243 -2.610 1.00 63.14 C ATOM 1840 CE2 PHE A 119 -4.981 32.272 -4.552 1.00 24.13 C ATOM 1841 CZ PHE A 119 -4.803 31.990 -3.211 1.00 53.32 C ATOM 0 H PHE A 119 0.450 34.265 -6.750 1.00 63.45 H new ATOM 0 HA PHE A 119 -0.023 32.421 -4.662 1.00 11.13 H new ATOM 0 HB2 PHE A 119 -1.245 34.561 -5.029 1.00 1.14 H new ATOM 0 HB3 PHE A 119 -1.952 33.906 -6.492 1.00 1.14 H new ATOM 0 HD1 PHE A 119 -1.597 32.970 -2.879 1.00 20.33 H new ATOM 0 HD2 PHE A 119 -4.082 33.019 -6.337 1.00 13.10 H new ATOM 0 HE1 PHE A 119 -3.445 32.026 -1.562 1.00 63.14 H new ATOM 0 HE2 PHE A 119 -5.933 32.078 -5.024 1.00 24.13 H new ATOM 0 HZ PHE A 119 -5.615 31.572 -2.634 1.00 53.32 H new ATOM 1851 N VAL A 120 -1.253 31.562 -7.619 1.00 12.12 N ATOM 1852 CA VAL A 120 -1.699 30.424 -8.413 1.00 71.15 C ATOM 1853 C VAL A 120 -0.575 29.412 -8.604 1.00 4.24 C ATOM 1854 O VAL A 120 -0.823 28.227 -8.828 1.00 14.01 O ATOM 1855 CB VAL A 120 -2.212 30.871 -9.795 1.00 70.44 C ATOM 1856 CG1 VAL A 120 -1.130 31.630 -10.547 1.00 4.20 C ATOM 1857 CG2 VAL A 120 -2.689 29.671 -10.600 1.00 30.34 C ATOM 0 H VAL A 120 -1.296 32.458 -8.105 1.00 12.12 H new ATOM 0 HA VAL A 120 -2.516 29.956 -7.864 1.00 71.15 H new ATOM 0 HB VAL A 120 -3.058 31.542 -9.649 1.00 70.44 H new ATOM 0 HG11 VAL A 120 -1.511 31.937 -11.521 1.00 4.20 H new ATOM 0 HG12 VAL A 120 -0.840 32.512 -9.976 1.00 4.20 H new ATOM 0 HG13 VAL A 120 -0.262 30.985 -10.684 1.00 4.20 H new ATOM 0 HG21 VAL A 120 -3.048 30.005 -11.573 1.00 30.34 H new ATOM 0 HG22 VAL A 120 -1.863 28.974 -10.738 1.00 30.34 H new ATOM 0 HG23 VAL A 120 -3.499 29.173 -10.066 1.00 30.34 H new ATOM 1867 N CYS A 121 0.663 29.887 -8.512 1.00 55.22 N ATOM 1868 CA CYS A 121 1.827 29.024 -8.675 1.00 30.24 C ATOM 1869 C CYS A 121 2.078 28.206 -7.412 1.00 74.31 C ATOM 1870 O CYS A 121 2.102 26.975 -7.451 1.00 53.53 O ATOM 1871 CB CYS A 121 3.064 29.859 -9.010 1.00 32.51 C ATOM 1872 SG CYS A 121 4.628 29.082 -8.541 1.00 32.11 S ATOM 0 H CYS A 121 0.886 30.865 -8.325 1.00 55.22 H new ATOM 0 HA CYS A 121 1.627 28.337 -9.498 1.00 30.24 H new ATOM 0 HB2 CYS A 121 3.076 30.057 -10.082 1.00 32.51 H new ATOM 0 HB3 CYS A 121 2.985 30.823 -8.508 1.00 32.51 H new ATOM 0 HG CYS A 121 5.400 29.965 -7.980 1.00 32.11 H new ATOM 1878 N VAL A 122 2.265 28.897 -6.292 1.00 44.35 N ATOM 1879 CA VAL A 122 2.515 28.235 -5.018 1.00 2.23 C ATOM 1880 C VAL A 122 1.329 27.371 -4.606 1.00 31.14 C ATOM 1881 O VAL A 122 1.500 26.241 -4.146 1.00 52.43 O ATOM 1882 CB VAL A 122 2.804 29.257 -3.902 1.00 22.22 C ATOM 1883 CG1 VAL A 122 2.773 28.582 -2.539 1.00 14.31 C ATOM 1884 CG2 VAL A 122 4.144 29.938 -4.138 1.00 13.23 C ATOM 0 H VAL A 122 2.248 29.916 -6.242 1.00 44.35 H new ATOM 0 HA VAL A 122 3.391 27.602 -5.157 1.00 2.23 H new ATOM 0 HB VAL A 122 2.026 30.020 -3.921 1.00 22.22 H new ATOM 0 HG11 VAL A 122 2.979 29.319 -1.763 1.00 14.31 H new ATOM 0 HG12 VAL A 122 1.789 28.145 -2.372 1.00 14.31 H new ATOM 0 HG13 VAL A 122 3.529 27.797 -2.504 1.00 14.31 H new ATOM 0 HG21 VAL A 122 4.332 30.657 -3.340 1.00 13.23 H new ATOM 0 HG22 VAL A 122 4.936 29.189 -4.146 1.00 13.23 H new ATOM 0 HG23 VAL A 122 4.125 30.457 -5.097 1.00 13.23 H new ATOM 1894 N PHE A 123 0.125 27.909 -4.773 1.00 64.13 N ATOM 1895 CA PHE A 123 -1.091 27.187 -4.418 1.00 61.02 C ATOM 1896 C PHE A 123 -1.289 25.976 -5.325 1.00 40.02 C ATOM 1897 O PHE A 123 -1.726 24.917 -4.878 1.00 71.40 O ATOM 1898 CB PHE A 123 -2.305 28.113 -4.513 1.00 11.32 C ATOM 1899 CG PHE A 123 -3.608 27.425 -4.223 1.00 11.04 C ATOM 1900 CD1 PHE A 123 -3.837 26.839 -2.988 1.00 14.20 C ATOM 1901 CD2 PHE A 123 -4.604 27.364 -5.184 1.00 0.30 C ATOM 1902 CE1 PHE A 123 -5.035 26.205 -2.719 1.00 33.42 C ATOM 1903 CE2 PHE A 123 -5.804 26.731 -4.920 1.00 52.43 C ATOM 1904 CZ PHE A 123 -6.020 26.152 -3.686 1.00 33.34 C ATOM 0 H PHE A 123 -0.034 28.842 -5.152 1.00 64.13 H new ATOM 0 HA PHE A 123 -0.989 26.837 -3.391 1.00 61.02 H new ATOM 0 HB2 PHE A 123 -2.177 28.940 -3.815 1.00 11.32 H new ATOM 0 HB3 PHE A 123 -2.346 28.544 -5.513 1.00 11.32 H new ATOM 0 HD1 PHE A 123 -3.071 26.878 -2.228 1.00 14.20 H new ATOM 0 HD2 PHE A 123 -4.441 27.816 -6.151 1.00 0.30 H new ATOM 0 HE1 PHE A 123 -5.201 25.751 -1.753 1.00 33.42 H new ATOM 0 HE2 PHE A 123 -6.572 26.690 -5.678 1.00 52.43 H new ATOM 0 HZ PHE A 123 -6.957 25.658 -3.477 1.00 33.34 H new ATOM 1914 N GLY A 124 -0.964 26.142 -6.604 1.00 12.21 N ATOM 1915 CA GLY A 124 -1.114 25.056 -7.555 1.00 21.15 C ATOM 1916 C GLY A 124 -0.088 23.960 -7.348 1.00 64.44 C ATOM 1917 O GLY A 124 -0.441 22.799 -7.139 1.00 22.42 O ATOM 0 H GLY A 124 -0.600 27.009 -6.998 1.00 12.21 H new ATOM 0 HA2 GLY A 124 -2.115 24.634 -7.466 1.00 21.15 H new ATOM 0 HA3 GLY A 124 -1.023 25.449 -8.568 1.00 21.15 H new ATOM 1921 N THR A 125 1.189 24.327 -7.409 1.00 72.33 N ATOM 1922 CA THR A 125 2.270 23.366 -7.231 1.00 32.33 C ATOM 1923 C THR A 125 2.150 22.645 -5.893 1.00 13.54 C ATOM 1924 O THR A 125 1.953 21.431 -5.846 1.00 73.15 O ATOM 1925 CB THR A 125 3.648 24.049 -7.311 1.00 51.11 C ATOM 1926 OG1 THR A 125 3.704 25.149 -6.396 1.00 34.11 O ATOM 1927 CG2 THR A 125 3.925 24.543 -8.723 1.00 4.11 C ATOM 0 H THR A 125 1.499 25.283 -7.580 1.00 72.33 H new ATOM 0 HA THR A 125 2.185 22.641 -8.040 1.00 32.33 H new ATOM 0 HB THR A 125 4.409 23.316 -7.043 1.00 51.11 H new ATOM 0 HG1 THR A 125 3.456 25.975 -6.862 1.00 34.11 H new ATOM 0 HG21 THR A 125 4.904 25.022 -8.755 1.00 4.11 H new ATOM 0 HG22 THR A 125 3.911 23.699 -9.413 1.00 4.11 H new ATOM 0 HG23 THR A 125 3.159 25.262 -9.014 1.00 4.11 H new ATOM 1935 N ILE A 126 2.269 23.401 -4.806 1.00 50.43 N ATOM 1936 CA ILE A 126 2.172 22.834 -3.467 1.00 53.22 C ATOM 1937 C ILE A 126 0.878 22.045 -3.297 1.00 11.20 C ATOM 1938 O ILE A 126 0.819 21.087 -2.527 1.00 43.23 O ATOM 1939 CB ILE A 126 2.238 23.929 -2.386 1.00 22.11 C ATOM 1940 CG1 ILE A 126 3.543 24.719 -2.509 1.00 13.12 C ATOM 1941 CG2 ILE A 126 2.114 23.313 -1.000 1.00 41.03 C ATOM 1942 CD1 ILE A 126 4.771 23.919 -2.137 1.00 22.31 C ATOM 0 H ILE A 126 2.433 24.408 -4.827 1.00 50.43 H new ATOM 0 HA ILE A 126 3.023 22.163 -3.346 1.00 53.22 H new ATOM 0 HB ILE A 126 1.404 24.615 -2.533 1.00 22.11 H new ATOM 0 HG12 ILE A 126 3.648 25.074 -3.534 1.00 13.12 H new ATOM 0 HG13 ILE A 126 3.486 25.600 -1.870 1.00 13.12 H new ATOM 0 HG21 ILE A 126 2.162 24.099 -0.247 1.00 41.03 H new ATOM 0 HG22 ILE A 126 1.161 22.790 -0.918 1.00 41.03 H new ATOM 0 HG23 ILE A 126 2.930 22.608 -0.841 1.00 41.03 H new ATOM 0 HD11 ILE A 126 5.658 24.542 -2.248 1.00 22.31 H new ATOM 0 HD12 ILE A 126 4.688 23.586 -1.103 1.00 22.31 H new ATOM 0 HD13 ILE A 126 4.852 23.052 -2.792 1.00 22.31 H new ATOM 1954 N GLY A 127 -0.158 22.454 -4.023 1.00 53.20 N ATOM 1955 CA GLY A 127 -1.437 21.774 -3.939 1.00 73.45 C ATOM 1956 C GLY A 127 -1.317 20.282 -4.182 1.00 14.11 C ATOM 1957 O GLY A 127 -1.738 19.476 -3.353 1.00 12.25 O ATOM 0 H GLY A 127 -0.134 23.244 -4.668 1.00 53.20 H new ATOM 0 HA2 GLY A 127 -1.872 21.945 -2.954 1.00 73.45 H new ATOM 0 HA3 GLY A 127 -2.122 22.204 -4.669 1.00 73.45 H new ATOM 1961 N MET A 128 -0.743 19.914 -5.322 1.00 72.14 N ATOM 1962 CA MET A 128 -0.570 18.509 -5.671 1.00 60.45 C ATOM 1963 C MET A 128 0.686 17.938 -5.021 1.00 62.32 C ATOM 1964 O MET A 128 0.805 16.727 -4.834 1.00 35.34 O ATOM 1965 CB MET A 128 -0.492 18.344 -7.190 1.00 42.25 C ATOM 1966 CG MET A 128 0.752 18.965 -7.806 1.00 13.33 C ATOM 1967 SD MET A 128 0.711 18.960 -9.608 1.00 44.34 S ATOM 1968 CE MET A 128 0.048 20.591 -9.937 1.00 12.33 C ATOM 0 H MET A 128 -0.390 20.569 -6.020 1.00 72.14 H new ATOM 0 HA MET A 128 -1.434 17.959 -5.297 1.00 60.45 H new ATOM 0 HB2 MET A 128 -0.517 17.282 -7.434 1.00 42.25 H new ATOM 0 HB3 MET A 128 -1.375 18.795 -7.642 1.00 42.25 H new ATOM 0 HG2 MET A 128 0.855 19.991 -7.452 1.00 13.33 H new ATOM 0 HG3 MET A 128 1.632 18.420 -7.465 1.00 13.33 H new ATOM 0 HE1 MET A 128 -0.037 20.739 -11.014 1.00 12.33 H new ATOM 0 HE2 MET A 128 -0.937 20.683 -9.479 1.00 12.33 H new ATOM 0 HE3 MET A 128 0.714 21.346 -9.519 1.00 12.33 H new ATOM 1978 N PHE A 129 1.622 18.817 -4.680 1.00 1.25 N ATOM 1979 CA PHE A 129 2.870 18.400 -4.051 1.00 43.04 C ATOM 1980 C PHE A 129 2.642 18.008 -2.595 1.00 14.25 C ATOM 1981 O PHE A 129 3.490 17.369 -1.971 1.00 1.21 O ATOM 1982 CB PHE A 129 3.907 19.523 -4.133 1.00 32.43 C ATOM 1983 CG PHE A 129 5.326 19.030 -4.131 1.00 33.32 C ATOM 1984 CD1 PHE A 129 5.935 18.638 -2.950 1.00 3.13 C ATOM 1985 CD2 PHE A 129 6.049 18.957 -5.310 1.00 5.30 C ATOM 1986 CE1 PHE A 129 7.241 18.185 -2.945 1.00 50.02 C ATOM 1987 CE2 PHE A 129 7.355 18.505 -5.312 1.00 25.43 C ATOM 1988 CZ PHE A 129 7.952 18.117 -4.128 1.00 35.13 C ATOM 0 H PHE A 129 1.540 19.823 -4.829 1.00 1.25 H new ATOM 0 HA PHE A 129 3.245 17.529 -4.588 1.00 43.04 H new ATOM 0 HB2 PHE A 129 3.733 20.102 -5.040 1.00 32.43 H new ATOM 0 HB3 PHE A 129 3.765 20.200 -3.291 1.00 32.43 H new ATOM 0 HD1 PHE A 129 5.383 18.687 -2.023 1.00 3.13 H new ATOM 0 HD2 PHE A 129 5.587 19.257 -6.239 1.00 5.30 H new ATOM 0 HE1 PHE A 129 7.705 17.884 -2.017 1.00 50.02 H new ATOM 0 HE2 PHE A 129 7.908 18.455 -6.238 1.00 25.43 H new ATOM 0 HZ PHE A 129 8.972 17.761 -4.127 1.00 35.13 H new ATOM 1998 N LEU A 130 1.490 18.396 -2.058 1.00 0.12 N ATOM 1999 CA LEU A 130 1.148 18.087 -0.674 1.00 22.52 C ATOM 2000 C LEU A 130 0.564 16.682 -0.558 1.00 41.21 C ATOM 2001 O LEU A 130 0.239 16.224 0.537 1.00 61.23 O ATOM 2002 CB LEU A 130 0.151 19.112 -0.132 1.00 51.24 C ATOM 2003 CG LEU A 130 -0.134 19.044 1.368 1.00 33.13 C ATOM 2004 CD1 LEU A 130 0.091 20.401 2.017 1.00 54.03 C ATOM 2005 CD2 LEU A 130 -1.555 18.559 1.620 1.00 43.42 C ATOM 0 H LEU A 130 0.777 18.925 -2.560 1.00 0.12 H new ATOM 0 HA LEU A 130 2.062 18.131 -0.082 1.00 22.52 H new ATOM 0 HB2 LEU A 130 0.523 20.109 -0.366 1.00 51.24 H new ATOM 0 HB3 LEU A 130 -0.791 18.990 -0.666 1.00 51.24 H new ATOM 0 HG LEU A 130 0.557 18.331 1.817 1.00 33.13 H new ATOM 0 HD11 LEU A 130 -0.117 20.333 3.085 1.00 54.03 H new ATOM 0 HD12 LEU A 130 1.126 20.709 1.868 1.00 54.03 H new ATOM 0 HD13 LEU A 130 -0.575 21.136 1.564 1.00 54.03 H new ATOM 0 HD21 LEU A 130 -1.740 18.517 2.693 1.00 43.42 H new ATOM 0 HD22 LEU A 130 -2.262 19.247 1.157 1.00 43.42 H new ATOM 0 HD23 LEU A 130 -1.682 17.565 1.191 1.00 43.42 H new