USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 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 Single : A 5 SER OG : rot -119:sc= -0.0286 USER MOD Single : A 6 THR OG1 : rot -174:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -138:sc= 1.27 (180deg=0.152) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.567 USER MOD Single : A 65 MET CE :methyl 152:sc= -0.058 (180deg=-0.677) USER MOD Single : A 66 GLN : amide:sc= -1 K(o=-1,f=-9.1!) USER MOD Single : A 70 SER OG : rot -154:sc= 1.23 USER MOD Single : A 71 THR OG1 : rot -40:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.031) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 76:sc= 0.592 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.281 -10.702 6.244 1.00 72.35 N ATOM 42 CA LEU A 4 -11.051 -9.950 5.030 1.00 42.35 C ATOM 43 C LEU A 4 -9.865 -10.455 4.195 1.00 15.44 C ATOM 44 O LEU A 4 -9.115 -11.330 4.628 1.00 13.13 O ATOM 45 CB LEU A 4 -11.289 -8.446 5.264 1.00 74.23 C ATOM 46 CG LEU A 4 -10.870 -7.938 6.633 1.00 42.15 C ATOM 47 CD1 LEU A 4 -9.425 -8.354 6.790 1.00 63.44 C ATOM 48 CD2 LEU A 4 -11.132 -6.448 6.764 1.00 72.15 C ATOM 0 HA LEU A 4 -11.816 -10.163 4.283 1.00 42.35 H new ATOM 0 HB2 LEU A 4 -10.747 -7.884 4.503 1.00 74.23 H new ATOM 0 HB3 LEU A 4 -12.349 -8.234 5.123 1.00 74.23 H new ATOM 0 HG LEU A 4 -11.453 -8.365 7.449 1.00 42.15 H new ATOM 0 HD11 LEU A 4 -9.053 -8.020 7.759 1.00 63.44 H new ATOM 0 HD12 LEU A 4 -9.350 -9.440 6.727 1.00 63.44 H new ATOM 0 HD13 LEU A 4 -8.828 -7.903 5.997 1.00 63.44 H new ATOM 0 HD21 LEU A 4 -10.823 -6.110 7.753 1.00 72.15 H new ATOM 0 HD22 LEU A 4 -10.565 -5.911 6.004 1.00 72.15 H new ATOM 0 HD23 LEU A 4 -12.196 -6.252 6.629 1.00 72.15 H new ATOM 59 N SER A 5 -9.723 -9.934 2.981 1.00 52.11 N ATOM 60 CA SER A 5 -8.749 -10.351 1.977 1.00 44.22 C ATOM 61 C SER A 5 -8.360 -9.142 1.127 1.00 13.34 C ATOM 62 O SER A 5 -8.899 -8.062 1.375 1.00 32.10 O ATOM 63 CB SER A 5 -9.379 -11.466 1.145 1.00 44.42 C ATOM 64 OG SER A 5 -9.770 -12.534 1.987 1.00 15.33 O ATOM 0 H SER A 5 -10.314 -9.170 2.653 1.00 52.11 H new ATOM 0 HA SER A 5 -7.837 -10.734 2.434 1.00 44.22 H new ATOM 0 HB2 SER A 5 -10.244 -11.083 0.604 1.00 44.42 H new ATOM 0 HB3 SER A 5 -8.668 -11.821 0.399 1.00 44.42 H new ATOM 0 HG SER A 5 -9.287 -13.347 1.730 1.00 15.33 H new ATOM 69 N THR A 6 -7.460 -9.288 0.146 1.00 53.32 N ATOM 70 CA THR A 6 -6.762 -8.156 -0.451 1.00 53.15 C ATOM 71 C THR A 6 -7.702 -7.038 -0.899 1.00 2.11 C ATOM 72 O THR A 6 -7.515 -5.884 -0.498 1.00 4.51 O ATOM 73 CB THR A 6 -5.832 -8.601 -1.591 1.00 33.10 C ATOM 74 OG1 THR A 6 -4.970 -9.633 -1.147 1.00 62.31 O ATOM 75 CG2 THR A 6 -5.020 -7.376 -2.027 1.00 14.43 C ATOM 0 H THR A 6 -7.200 -10.191 -0.250 1.00 53.32 H new ATOM 0 HA THR A 6 -6.143 -7.733 0.340 1.00 53.15 H new ATOM 0 HB THR A 6 -6.411 -8.992 -2.428 1.00 33.10 H new ATOM 0 HG1 THR A 6 -4.319 -9.841 -1.850 1.00 62.31 H new ATOM 0 HG21 THR A 6 -4.347 -7.655 -2.837 1.00 14.43 H new ATOM 0 HG22 THR A 6 -5.697 -6.594 -2.371 1.00 14.43 H new ATOM 0 HG23 THR A 6 -4.438 -7.006 -1.183 1.00 14.43 H new ATOM 83 N ASP A 7 -8.693 -7.378 -1.726 1.00 21.43 N ATOM 84 CA ASP A 7 -9.675 -6.424 -2.241 1.00 75.05 C ATOM 85 C ASP A 7 -10.436 -5.806 -1.078 1.00 43.33 C ATOM 86 O ASP A 7 -10.595 -4.594 -0.995 1.00 60.12 O ATOM 87 CB ASP A 7 -10.648 -7.151 -3.171 1.00 31.40 C ATOM 88 CG ASP A 7 -11.738 -6.267 -3.783 1.00 51.35 C ATOM 89 OD1 ASP A 7 -12.421 -5.494 -3.076 1.00 24.42 O ATOM 90 OD2 ASP A 7 -12.082 -6.471 -4.973 1.00 62.45 O ATOM 0 H ASP A 7 -8.837 -8.331 -2.059 1.00 21.43 H new ATOM 0 HA ASP A 7 -9.167 -5.636 -2.797 1.00 75.05 H new ATOM 0 HB2 ASP A 7 -10.080 -7.613 -3.978 1.00 31.40 H new ATOM 0 HB3 ASP A 7 -11.125 -7.958 -2.615 1.00 31.40 H new ATOM 94 N ILE A 8 -10.870 -6.650 -0.141 1.00 0.31 N ATOM 95 CA ILE A 8 -11.740 -6.279 0.963 1.00 14.43 C ATOM 96 C ILE A 8 -11.067 -5.197 1.819 1.00 2.30 C ATOM 97 O ILE A 8 -11.737 -4.293 2.329 1.00 31.00 O ATOM 98 CB ILE A 8 -12.091 -7.509 1.801 1.00 62.03 C ATOM 99 CG1 ILE A 8 -12.417 -8.769 0.980 1.00 71.33 C ATOM 100 CG2 ILE A 8 -13.228 -7.177 2.776 1.00 3.13 C ATOM 101 CD1 ILE A 8 -13.468 -8.644 -0.122 1.00 74.11 C ATOM 0 H ILE A 8 -10.616 -7.638 -0.134 1.00 0.31 H new ATOM 0 HA ILE A 8 -12.669 -5.871 0.565 1.00 14.43 H new ATOM 0 HB ILE A 8 -11.188 -7.761 2.358 1.00 62.03 H new ATOM 0 HG12 ILE A 8 -11.492 -9.121 0.523 1.00 71.33 H new ATOM 0 HG13 ILE A 8 -12.746 -9.545 1.672 1.00 71.33 H new ATOM 0 HG21 ILE A 8 -13.470 -8.060 3.367 1.00 3.13 H new ATOM 0 HG22 ILE A 8 -12.915 -6.371 3.439 1.00 3.13 H new ATOM 0 HG23 ILE A 8 -14.109 -6.864 2.215 1.00 3.13 H new ATOM 0 HD11 ILE A 8 -13.594 -9.608 -0.615 1.00 74.11 H new ATOM 0 HD12 ILE A 8 -14.417 -8.333 0.314 1.00 74.11 H new ATOM 0 HD13 ILE A 8 -13.143 -7.902 -0.852 1.00 74.11 H new ATOM 112 N TRP A 9 -9.746 -5.297 1.998 1.00 75.32 N ATOM 113 CA TRP A 9 -8.967 -4.300 2.706 1.00 21.34 C ATOM 114 C TRP A 9 -9.030 -2.977 1.942 1.00 73.23 C ATOM 115 O TRP A 9 -9.486 -1.990 2.526 1.00 55.33 O ATOM 116 CB TRP A 9 -7.513 -4.732 2.865 1.00 15.14 C ATOM 117 CG TRP A 9 -7.221 -6.109 3.353 1.00 14.52 C ATOM 118 CD1 TRP A 9 -7.958 -6.825 4.219 1.00 55.22 C ATOM 119 CD2 TRP A 9 -6.080 -6.942 3.016 1.00 44.54 C ATOM 120 NE1 TRP A 9 -7.353 -8.055 4.428 1.00 35.12 N ATOM 121 CE2 TRP A 9 -6.213 -8.199 3.669 1.00 12.41 C ATOM 122 CE3 TRP A 9 -4.945 -6.740 2.221 1.00 0.31 C ATOM 123 CZ2 TRP A 9 -5.293 -9.241 3.485 1.00 2.44 C ATOM 124 CZ3 TRP A 9 -4.003 -7.770 2.030 1.00 42.15 C ATOM 125 CH2 TRP A 9 -4.189 -9.023 2.643 1.00 20.40 C ATOM 0 H TRP A 9 -9.192 -6.080 1.650 1.00 75.32 H new ATOM 0 HA TRP A 9 -9.390 -4.181 3.703 1.00 21.34 H new ATOM 0 HB2 TRP A 9 -7.027 -4.615 1.897 1.00 15.14 H new ATOM 0 HB3 TRP A 9 -7.034 -4.031 3.549 1.00 15.14 H new ATOM 0 HD1 TRP A 9 -8.877 -6.494 4.680 1.00 55.22 H new ATOM 0 HE1 TRP A 9 -7.709 -8.767 5.066 1.00 35.12 H new ATOM 0 HE3 TRP A 9 -4.790 -5.782 1.748 1.00 0.31 H new ATOM 0 HZ2 TRP A 9 -5.430 -10.191 3.980 1.00 2.44 H new ATOM 0 HZ3 TRP A 9 -3.135 -7.597 1.411 1.00 42.15 H new ATOM 0 HH2 TRP A 9 -3.481 -9.819 2.466 1.00 20.40 H new ATOM 135 N VAL A 10 -8.619 -2.971 0.658 1.00 71.01 N ATOM 136 CA VAL A 10 -8.683 -1.806 -0.234 1.00 32.04 C ATOM 137 C VAL A 10 -10.071 -1.175 -0.144 1.00 35.34 C ATOM 138 O VAL A 10 -10.183 0.041 0.008 1.00 42.51 O ATOM 139 CB VAL A 10 -8.314 -2.161 -1.702 1.00 40.52 C ATOM 140 CG1 VAL A 10 -8.377 -0.941 -2.635 1.00 2.40 C ATOM 141 CG2 VAL A 10 -6.901 -2.723 -1.815 1.00 40.21 C ATOM 0 H VAL A 10 -8.225 -3.797 0.207 1.00 71.01 H new ATOM 0 HA VAL A 10 -7.937 -1.083 0.096 1.00 32.04 H new ATOM 0 HB VAL A 10 -9.052 -2.905 -2.002 1.00 40.52 H new ATOM 0 HG11 VAL A 10 -8.111 -1.243 -3.648 1.00 2.40 H new ATOM 0 HG12 VAL A 10 -9.388 -0.533 -2.632 1.00 2.40 H new ATOM 0 HG13 VAL A 10 -7.678 -0.181 -2.288 1.00 2.40 H new ATOM 0 HG21 VAL A 10 -6.685 -2.957 -2.857 1.00 40.21 H new ATOM 0 HG22 VAL A 10 -6.186 -1.984 -1.453 1.00 40.21 H new ATOM 0 HG23 VAL A 10 -6.821 -3.630 -1.215 1.00 40.21 H new ATOM 151 N ALA A 11 -11.123 -1.989 -0.188 1.00 51.21 N ATOM 152 CA ALA A 11 -12.484 -1.516 -0.306 1.00 75.14 C ATOM 153 C ALA A 11 -12.951 -0.686 0.892 1.00 71.44 C ATOM 154 O ALA A 11 -13.887 0.101 0.752 1.00 43.51 O ATOM 155 CB ALA A 11 -13.417 -2.706 -0.539 1.00 1.22 C ATOM 0 H ALA A 11 -11.045 -3.005 -0.142 1.00 51.21 H new ATOM 0 HA ALA A 11 -12.516 -0.841 -1.161 1.00 75.14 H new ATOM 0 HB1 ALA A 11 -14.444 -2.351 -0.628 1.00 1.22 H new ATOM 0 HB2 ALA A 11 -13.129 -3.220 -1.456 1.00 1.22 H new ATOM 0 HB3 ALA A 11 -13.343 -3.396 0.301 1.00 1.22 H new ATOM 161 N ALA A 12 -12.332 -0.842 2.066 1.00 71.15 N ATOM 162 CA ALA A 12 -12.610 0.007 3.216 1.00 24.13 C ATOM 163 C ALA A 12 -11.570 1.120 3.331 1.00 3.12 C ATOM 164 O ALA A 12 -11.965 2.253 3.556 1.00 54.55 O ATOM 165 CB ALA A 12 -12.703 -0.836 4.487 1.00 72.42 C ATOM 0 H ALA A 12 -11.628 -1.559 2.240 1.00 71.15 H new ATOM 0 HA ALA A 12 -13.577 0.491 3.076 1.00 24.13 H new ATOM 0 HB1 ALA A 12 -12.911 -0.188 5.339 1.00 72.42 H new ATOM 0 HB2 ALA A 12 -13.506 -1.566 4.382 1.00 72.42 H new ATOM 0 HB3 ALA A 12 -11.759 -1.356 4.649 1.00 72.42 H new ATOM 171 N LEU A 13 -10.280 0.833 3.155 1.00 43.32 N ATOM 172 CA LEU A 13 -9.147 1.747 3.052 1.00 71.23 C ATOM 173 C LEU A 13 -9.447 2.934 2.135 1.00 32.11 C ATOM 174 O LEU A 13 -9.327 4.075 2.576 1.00 20.43 O ATOM 175 CB LEU A 13 -7.912 0.925 2.638 1.00 71.02 C ATOM 176 CG LEU A 13 -6.781 1.735 1.983 1.00 14.31 C ATOM 177 CD1 LEU A 13 -6.189 2.758 2.951 1.00 63.05 C ATOM 178 CD2 LEU A 13 -5.692 0.760 1.546 1.00 75.32 C ATOM 0 H LEU A 13 -9.976 -0.137 3.074 1.00 43.32 H new ATOM 0 HA LEU A 13 -8.941 2.211 4.016 1.00 71.23 H new ATOM 0 HB2 LEU A 13 -7.515 0.424 3.521 1.00 71.02 H new ATOM 0 HB3 LEU A 13 -8.229 0.146 1.945 1.00 71.02 H new ATOM 0 HG LEU A 13 -7.184 2.282 1.131 1.00 14.31 H new ATOM 0 HD11 LEU A 13 -5.393 3.312 2.453 1.00 63.05 H new ATOM 0 HD12 LEU A 13 -6.968 3.451 3.270 1.00 63.05 H new ATOM 0 HD13 LEU A 13 -5.783 2.243 3.822 1.00 63.05 H new ATOM 0 HD21 LEU A 13 -4.877 1.311 1.077 1.00 75.32 H new ATOM 0 HD22 LEU A 13 -5.314 0.223 2.416 1.00 75.32 H new ATOM 0 HD23 LEU A 13 -6.106 0.048 0.832 1.00 75.32 H new ATOM 189 N ILE A 14 -9.890 2.696 0.905 1.00 54.11 N ATOM 190 CA ILE A 14 -10.285 3.755 -0.019 1.00 4.51 C ATOM 191 C ILE A 14 -11.377 4.615 0.609 1.00 61.34 C ATOM 192 O ILE A 14 -11.263 5.840 0.649 1.00 75.24 O ATOM 193 CB ILE A 14 -10.708 3.103 -1.356 1.00 35.42 C ATOM 194 CG1 ILE A 14 -9.480 2.561 -2.117 1.00 3.33 C ATOM 195 CG2 ILE A 14 -11.488 4.035 -2.307 1.00 32.14 C ATOM 196 CD1 ILE A 14 -8.436 3.622 -2.417 1.00 0.43 C ATOM 0 H ILE A 14 -9.986 1.757 0.518 1.00 54.11 H new ATOM 0 HA ILE A 14 -9.454 4.429 -0.227 1.00 4.51 H new ATOM 0 HB ILE A 14 -11.382 2.298 -1.063 1.00 35.42 H new ATOM 0 HG12 ILE A 14 -9.020 1.766 -1.530 1.00 3.33 H new ATOM 0 HG13 ILE A 14 -9.812 2.114 -3.054 1.00 3.33 H new ATOM 0 HG21 ILE A 14 -11.743 3.494 -3.218 1.00 32.14 H new ATOM 0 HG22 ILE A 14 -12.402 4.372 -1.817 1.00 32.14 H new ATOM 0 HG23 ILE A 14 -10.871 4.898 -2.558 1.00 32.14 H new ATOM 0 HD11 ILE A 14 -7.602 3.170 -2.953 1.00 0.43 H new ATOM 0 HD12 ILE A 14 -8.880 4.406 -3.031 1.00 0.43 H new ATOM 0 HD13 ILE A 14 -8.076 4.053 -1.483 1.00 0.43 H new ATOM 207 N ARG A 15 -12.426 3.970 1.124 1.00 3.31 N ATOM 208 CA ARG A 15 -13.610 4.688 1.568 1.00 3.51 C ATOM 209 C ARG A 15 -13.254 5.586 2.760 1.00 22.33 C ATOM 210 O ARG A 15 -13.609 6.760 2.777 1.00 31.11 O ATOM 211 CB ARG A 15 -14.814 3.739 1.687 1.00 13.22 C ATOM 212 CG ARG A 15 -15.123 3.185 3.055 1.00 61.04 C ATOM 213 CD ARG A 15 -16.235 2.134 2.938 1.00 42.43 C ATOM 214 NE ARG A 15 -16.462 1.467 4.224 1.00 42.33 N ATOM 215 CZ ARG A 15 -17.008 0.269 4.457 1.00 40.34 C ATOM 216 NH1 ARG A 15 -17.395 -0.536 3.475 1.00 44.43 N ATOM 217 NH2 ARG A 15 -17.134 -0.109 5.722 1.00 73.35 N ATOM 0 H ARG A 15 -12.475 2.958 1.241 1.00 3.31 H new ATOM 0 HA ARG A 15 -13.967 5.400 0.824 1.00 3.51 H new ATOM 0 HB2 ARG A 15 -15.697 4.268 1.329 1.00 13.22 H new ATOM 0 HB3 ARG A 15 -14.650 2.899 1.012 1.00 13.22 H new ATOM 0 HG2 ARG A 15 -14.229 2.738 3.489 1.00 61.04 H new ATOM 0 HG3 ARG A 15 -15.435 3.988 3.723 1.00 61.04 H new ATOM 0 HD2 ARG A 15 -17.157 2.610 2.603 1.00 42.43 H new ATOM 0 HD3 ARG A 15 -15.965 1.395 2.183 1.00 42.43 H new ATOM 0 HE ARG A 15 -16.164 1.986 5.050 1.00 42.33 H new ATOM 0 HH11 ARG A 15 -17.280 -0.247 2.504 1.00 44.43 H new ATOM 0 HH12 ARG A 15 -17.808 -1.443 3.692 1.00 44.43 H new ATOM 0 HH21 ARG A 15 -16.820 0.507 6.472 1.00 73.35 H new ATOM 0 HH22 ARG A 15 -17.545 -1.015 5.945 1.00 73.35 H new ATOM 228 N ARG A 16 -12.477 5.087 3.728 1.00 33.21 N ATOM 229 CA ARG A 16 -12.037 5.869 4.890 1.00 15.23 C ATOM 230 C ARG A 16 -11.018 6.943 4.541 1.00 74.03 C ATOM 231 O ARG A 16 -11.058 7.999 5.172 1.00 61.04 O ATOM 232 CB ARG A 16 -11.486 4.972 6.005 1.00 51.33 C ATOM 233 CG ARG A 16 -10.346 4.018 5.590 1.00 44.44 C ATOM 234 CD ARG A 16 -10.225 2.752 6.438 1.00 61.33 C ATOM 235 NE ARG A 16 -11.516 2.068 6.568 1.00 24.11 N ATOM 236 CZ ARG A 16 -11.948 1.446 7.664 1.00 62.15 C ATOM 237 NH1 ARG A 16 -11.116 1.172 8.666 1.00 60.42 N ATOM 238 NH2 ARG A 16 -13.219 1.072 7.736 1.00 24.14 N ATOM 0 H ARG A 16 -12.134 4.126 3.728 1.00 33.21 H new ATOM 0 HA ARG A 16 -12.933 6.374 5.251 1.00 15.23 H new ATOM 0 HB2 ARG A 16 -11.127 5.608 6.815 1.00 51.33 H new ATOM 0 HB3 ARG A 16 -12.306 4.377 6.407 1.00 51.33 H new ATOM 0 HG2 ARG A 16 -10.495 3.728 4.550 1.00 44.44 H new ATOM 0 HG3 ARG A 16 -9.402 4.561 5.637 1.00 44.44 H new ATOM 0 HD2 ARG A 16 -9.498 2.077 5.985 1.00 61.33 H new ATOM 0 HD3 ARG A 16 -9.847 3.010 7.427 1.00 61.33 H new ATOM 0 HE ARG A 16 -12.132 2.069 5.755 1.00 24.11 H new ATOM 0 HH11 ARG A 16 -10.134 1.439 8.601 1.00 60.42 H new ATOM 0 HH12 ARG A 16 -11.461 0.695 9.499 1.00 60.42 H new ATOM 0 HH21 ARG A 16 -13.851 1.262 6.958 1.00 24.14 H new ATOM 0 HH22 ARG A 16 -13.564 0.595 8.569 1.00 24.14 H new ATOM 249 N ALA A 17 -10.102 6.673 3.612 1.00 64.25 N ATOM 250 CA ALA A 17 -9.085 7.628 3.194 1.00 44.13 C ATOM 251 C ALA A 17 -9.760 8.888 2.669 1.00 60.12 C ATOM 252 O ALA A 17 -9.551 9.983 3.196 1.00 60.32 O ATOM 253 CB ALA A 17 -8.152 7.008 2.149 1.00 11.32 C ATOM 0 H ALA A 17 -10.047 5.778 3.127 1.00 64.25 H new ATOM 0 HA ALA A 17 -8.468 7.898 4.051 1.00 44.13 H new ATOM 0 HB1 ALA A 17 -7.401 7.740 1.852 1.00 11.32 H new ATOM 0 HB2 ALA A 17 -7.659 6.134 2.574 1.00 11.32 H new ATOM 0 HB3 ALA A 17 -8.732 6.708 1.276 1.00 11.32 H new ATOM 259 N GLU A 18 -10.611 8.725 1.661 1.00 64.11 N ATOM 260 CA GLU A 18 -11.290 9.844 1.031 1.00 60.43 C ATOM 261 C GLU A 18 -12.254 10.525 2.013 1.00 23.30 C ATOM 262 O GLU A 18 -12.263 11.754 2.079 1.00 13.13 O ATOM 263 CB GLU A 18 -11.957 9.364 -0.259 1.00 55.52 C ATOM 264 CG GLU A 18 -10.919 9.095 -1.370 1.00 21.44 C ATOM 265 CD GLU A 18 -11.202 9.939 -2.619 1.00 71.01 C ATOM 266 OE1 GLU A 18 -11.147 11.187 -2.539 1.00 13.42 O ATOM 267 OE2 GLU A 18 -11.453 9.340 -3.688 1.00 55.13 O ATOM 0 H GLU A 18 -10.846 7.816 1.262 1.00 64.11 H new ATOM 0 HA GLU A 18 -10.572 10.616 0.754 1.00 60.43 H new ATOM 0 HB2 GLU A 18 -12.522 8.453 -0.060 1.00 55.52 H new ATOM 0 HB3 GLU A 18 -12.671 10.114 -0.601 1.00 55.52 H new ATOM 0 HG2 GLU A 18 -9.919 9.318 -0.997 1.00 21.44 H new ATOM 0 HG3 GLU A 18 -10.932 8.037 -1.633 1.00 21.44 H new ATOM 272 N LEU A 19 -12.962 9.783 2.880 1.00 52.43 N ATOM 273 CA LEU A 19 -13.746 10.344 3.983 1.00 40.15 C ATOM 274 C LEU A 19 -12.888 11.108 4.995 1.00 33.32 C ATOM 275 O LEU A 19 -13.415 11.863 5.812 1.00 52.35 O ATOM 276 CB LEU A 19 -14.446 9.202 4.730 1.00 12.41 C ATOM 277 CG LEU A 19 -15.715 8.664 4.056 1.00 74.33 C ATOM 278 CD1 LEU A 19 -16.148 7.374 4.757 1.00 43.52 C ATOM 279 CD2 LEU A 19 -16.858 9.684 4.108 1.00 71.25 C ATOM 0 H LEU A 19 -13.004 8.765 2.831 1.00 52.43 H new ATOM 0 HA LEU A 19 -14.457 11.043 3.543 1.00 40.15 H new ATOM 0 HB2 LEU A 19 -13.740 8.380 4.849 1.00 12.41 H new ATOM 0 HB3 LEU A 19 -14.704 9.548 5.731 1.00 12.41 H new ATOM 0 HG LEU A 19 -15.488 8.469 3.008 1.00 74.33 H new ATOM 0 HD11 LEU A 19 -17.050 6.987 4.282 1.00 43.52 H new ATOM 0 HD12 LEU A 19 -15.352 6.634 4.681 1.00 43.52 H new ATOM 0 HD13 LEU A 19 -16.352 7.581 5.808 1.00 43.52 H new ATOM 0 HD21 LEU A 19 -17.740 9.268 3.621 1.00 71.25 H new ATOM 0 HD22 LEU A 19 -17.092 9.915 5.147 1.00 71.25 H new ATOM 0 HD23 LEU A 19 -16.556 10.596 3.593 1.00 71.25 H new ATOM 290 N GLY A 20 -11.572 10.911 5.001 1.00 41.45 N ATOM 291 CA GLY A 20 -10.658 11.721 5.784 1.00 72.13 C ATOM 292 C GLY A 20 -10.536 13.122 5.188 1.00 51.12 C ATOM 293 O GLY A 20 -10.417 14.099 5.932 1.00 3.42 O ATOM 0 H GLY A 20 -11.113 10.180 4.458 1.00 41.45 H new ATOM 0 HA2 GLY A 20 -11.012 11.787 6.813 1.00 72.13 H new ATOM 0 HA3 GLY A 20 -9.677 11.246 5.814 1.00 72.13 H new ATOM 297 N GLY A 21 -10.587 13.238 3.863 1.00 2.33 N ATOM 298 CA GLY A 21 -10.232 14.423 3.090 1.00 2.33 C ATOM 299 C GLY A 21 -8.984 14.189 2.231 1.00 3.21 C ATOM 300 O GLY A 21 -8.564 15.095 1.509 1.00 13.33 O ATOM 0 H GLY A 21 -10.893 12.467 3.270 1.00 2.33 H new ATOM 0 HA2 GLY A 21 -11.068 14.702 2.448 1.00 2.33 H new ATOM 0 HA3 GLY A 21 -10.056 15.259 3.767 1.00 2.33 H new ATOM 304 N ALA A 22 -8.393 12.989 2.303 1.00 15.51 N ATOM 305 CA ALA A 22 -7.332 12.552 1.409 1.00 34.33 C ATOM 306 C ALA A 22 -7.909 12.298 0.009 1.00 1.21 C ATOM 307 O ALA A 22 -9.124 12.419 -0.199 1.00 72.35 O ATOM 308 CB ALA A 22 -6.676 11.294 1.992 1.00 31.33 C ATOM 0 H ALA A 22 -8.649 12.288 2.999 1.00 15.51 H new ATOM 0 HA ALA A 22 -6.568 13.324 1.316 1.00 34.33 H new ATOM 0 HB1 ALA A 22 -5.879 10.959 1.329 1.00 31.33 H new ATOM 0 HB2 ALA A 22 -6.260 11.522 2.973 1.00 31.33 H new ATOM 0 HB3 ALA A 22 -7.423 10.506 2.089 1.00 31.33 H new ATOM 314 N PHE A 23 -7.060 11.928 -0.947 1.00 42.24 N ATOM 315 CA PHE A 23 -7.483 11.261 -2.175 1.00 4.12 C ATOM 316 C PHE A 23 -6.921 9.849 -2.091 1.00 64.23 C ATOM 317 O PHE A 23 -5.885 9.641 -1.450 1.00 13.33 O ATOM 318 CB PHE A 23 -6.943 11.997 -3.411 1.00 51.51 C ATOM 319 CG PHE A 23 -7.818 11.981 -4.647 1.00 22.23 C ATOM 320 CD1 PHE A 23 -8.993 12.755 -4.687 1.00 33.10 C ATOM 321 CD2 PHE A 23 -7.401 11.292 -5.801 1.00 35.30 C ATOM 322 CE1 PHE A 23 -9.723 12.870 -5.882 1.00 44.12 C ATOM 323 CE2 PHE A 23 -8.134 11.407 -6.996 1.00 60.45 C ATOM 324 CZ PHE A 23 -9.289 12.205 -7.041 1.00 35.42 C ATOM 0 H PHE A 23 -6.054 12.084 -0.891 1.00 42.24 H new ATOM 0 HA PHE A 23 -8.568 11.252 -2.274 1.00 4.12 H new ATOM 0 HB2 PHE A 23 -6.761 13.036 -3.136 1.00 51.51 H new ATOM 0 HB3 PHE A 23 -5.978 11.562 -3.671 1.00 51.51 H new ATOM 0 HD1 PHE A 23 -9.334 13.262 -3.797 1.00 33.10 H new ATOM 0 HD2 PHE A 23 -6.516 10.674 -5.769 1.00 35.30 H new ATOM 0 HE1 PHE A 23 -10.620 13.471 -5.910 1.00 44.12 H new ATOM 0 HE2 PHE A 23 -7.808 10.881 -7.881 1.00 60.45 H new ATOM 0 HZ PHE A 23 -9.842 12.307 -7.963 1.00 35.42 H new ATOM 333 N ALA A 24 -7.587 8.879 -2.709 1.00 62.33 N ATOM 334 CA ALA A 24 -7.114 7.509 -2.745 1.00 1.32 C ATOM 335 C ALA A 24 -7.760 6.805 -3.934 1.00 62.42 C ATOM 336 O ALA A 24 -8.916 7.087 -4.250 1.00 43.21 O ATOM 337 CB ALA A 24 -7.484 6.816 -1.429 1.00 33.33 C ATOM 0 H ALA A 24 -8.470 9.026 -3.198 1.00 62.33 H new ATOM 0 HA ALA A 24 -6.030 7.475 -2.859 1.00 1.32 H new ATOM 0 HB1 ALA A 24 -7.131 5.785 -1.449 1.00 33.33 H new ATOM 0 HB2 ALA A 24 -7.018 7.343 -0.597 1.00 33.33 H new ATOM 0 HB3 ALA A 24 -8.567 6.827 -1.304 1.00 33.33 H new ATOM 343 N THR A 25 -7.063 5.842 -4.537 1.00 43.55 N ATOM 344 CA THR A 25 -7.656 4.910 -5.483 1.00 13.30 C ATOM 345 C THR A 25 -6.789 3.665 -5.634 1.00 14.44 C ATOM 346 O THR A 25 -5.631 3.620 -5.198 1.00 55.44 O ATOM 347 CB THR A 25 -7.999 5.576 -6.832 1.00 40.22 C ATOM 348 OG1 THR A 25 -8.978 4.772 -7.468 1.00 35.30 O ATOM 349 CG2 THR A 25 -6.780 5.734 -7.736 1.00 11.21 C ATOM 0 H THR A 25 -6.067 5.690 -4.379 1.00 43.55 H new ATOM 0 HA THR A 25 -8.613 4.585 -5.073 1.00 13.30 H new ATOM 0 HB THR A 25 -8.371 6.583 -6.644 1.00 40.22 H new ATOM 0 HG1 THR A 25 -9.219 5.171 -8.330 1.00 35.30 H new ATOM 0 HG21 THR A 25 -7.079 6.208 -8.671 1.00 11.21 H new ATOM 0 HG22 THR A 25 -6.035 6.354 -7.237 1.00 11.21 H new ATOM 0 HG23 THR A 25 -6.354 4.753 -7.947 1.00 11.21 H new ATOM 357 N VAL A 26 -7.358 2.656 -6.281 1.00 22.00 N ATOM 358 CA VAL A 26 -6.668 1.479 -6.774 1.00 51.31 C ATOM 359 C VAL A 26 -6.209 1.711 -8.228 1.00 11.31 C ATOM 360 O VAL A 26 -6.996 2.143 -9.072 1.00 23.00 O ATOM 361 CB VAL A 26 -7.597 0.264 -6.576 1.00 53.42 C ATOM 362 CG1 VAL A 26 -8.993 0.409 -7.199 1.00 75.41 C ATOM 363 CG2 VAL A 26 -6.950 -1.018 -7.088 1.00 24.14 C ATOM 0 H VAL A 26 -8.358 2.639 -6.484 1.00 22.00 H new ATOM 0 HA VAL A 26 -5.753 1.275 -6.218 1.00 51.31 H new ATOM 0 HB VAL A 26 -7.743 0.213 -5.497 1.00 53.42 H new ATOM 0 HG11 VAL A 26 -9.572 -0.494 -7.008 1.00 75.41 H new ATOM 0 HG12 VAL A 26 -9.501 1.266 -6.758 1.00 75.41 H new ATOM 0 HG13 VAL A 26 -8.898 0.558 -8.275 1.00 75.41 H new ATOM 0 HG21 VAL A 26 -7.630 -1.856 -6.934 1.00 24.14 H new ATOM 0 HG22 VAL A 26 -6.734 -0.917 -8.152 1.00 24.14 H new ATOM 0 HG23 VAL A 26 -6.022 -1.199 -6.545 1.00 24.14 H new ATOM 373 N ALA A 27 -4.945 1.401 -8.536 1.00 42.52 N ATOM 374 CA ALA A 27 -4.369 1.436 -9.882 1.00 72.42 C ATOM 375 C ALA A 27 -4.200 0.032 -10.478 1.00 62.22 C ATOM 376 O ALA A 27 -4.134 -0.137 -11.700 1.00 4.41 O ATOM 377 CB ALA A 27 -2.998 2.121 -9.838 1.00 34.41 C ATOM 0 H ALA A 27 -4.272 1.108 -7.828 1.00 42.52 H new ATOM 0 HA ALA A 27 -5.060 1.993 -10.515 1.00 72.42 H new ATOM 0 HB1 ALA A 27 -2.571 2.146 -10.841 1.00 34.41 H new ATOM 0 HB2 ALA A 27 -3.112 3.139 -9.467 1.00 34.41 H new ATOM 0 HB3 ALA A 27 -2.335 1.565 -9.175 1.00 34.41 H new ATOM 383 N ARG A 28 -4.132 -1.002 -9.636 1.00 73.24 N ATOM 384 CA ARG A 28 -3.913 -2.394 -10.054 1.00 20.12 C ATOM 385 C ARG A 28 -4.827 -3.290 -9.236 1.00 75.13 C ATOM 386 O ARG A 28 -4.976 -3.029 -8.043 1.00 61.23 O ATOM 387 CB ARG A 28 -2.442 -2.797 -9.881 1.00 75.44 C ATOM 388 CG ARG A 28 -1.870 -3.561 -11.075 1.00 30.14 C ATOM 389 CD ARG A 28 -1.357 -2.548 -12.111 1.00 11.30 C ATOM 390 NE ARG A 28 -1.568 -3.049 -13.475 1.00 31.34 N ATOM 391 CZ ARG A 28 -2.492 -2.653 -14.353 1.00 73.41 C ATOM 392 NH1 ARG A 28 -3.316 -1.642 -14.074 1.00 22.21 N ATOM 393 NH2 ARG A 28 -2.585 -3.282 -15.517 1.00 4.13 N ATOM 0 H ARG A 28 -4.229 -0.896 -8.626 1.00 73.24 H new ATOM 0 HA ARG A 28 -4.148 -2.501 -11.113 1.00 20.12 H new ATOM 0 HB2 ARG A 28 -1.846 -1.900 -9.716 1.00 75.44 H new ATOM 0 HB3 ARG A 28 -2.346 -3.413 -8.987 1.00 75.44 H new ATOM 0 HG2 ARG A 28 -1.059 -4.214 -10.752 1.00 30.14 H new ATOM 0 HG3 ARG A 28 -2.636 -4.198 -11.517 1.00 30.14 H new ATOM 0 HD2 ARG A 28 -1.874 -1.597 -11.984 1.00 11.30 H new ATOM 0 HD3 ARG A 28 -0.296 -2.359 -11.948 1.00 11.30 H new ATOM 0 HE ARG A 28 -0.935 -3.785 -13.788 1.00 31.34 H new ATOM 0 HH11 ARG A 28 -3.246 -1.159 -13.178 1.00 22.21 H new ATOM 0 HH12 ARG A 28 -4.017 -1.352 -14.756 1.00 22.21 H new ATOM 0 HH21 ARG A 28 -1.956 -4.056 -15.730 1.00 4.13 H new ATOM 0 HH22 ARG A 28 -3.286 -2.992 -16.199 1.00 4.13 H new ATOM 404 N LYS A 29 -5.400 -4.322 -9.849 1.00 73.21 N ATOM 405 CA LYS A 29 -6.383 -5.216 -9.250 1.00 15.22 C ATOM 406 C LYS A 29 -5.904 -6.641 -9.467 1.00 74.32 C ATOM 407 O LYS A 29 -6.141 -7.227 -10.530 1.00 63.02 O ATOM 408 CB LYS A 29 -7.769 -4.941 -9.854 1.00 42.13 C ATOM 409 CG LYS A 29 -8.806 -5.984 -9.405 1.00 54.51 C ATOM 410 CD LYS A 29 -10.230 -5.613 -9.812 1.00 52.23 C ATOM 411 CE LYS A 29 -10.761 -4.458 -8.960 1.00 11.41 C ATOM 412 NZ LYS A 29 -12.165 -4.148 -9.285 1.00 55.54 N ATOM 0 H LYS A 29 -5.183 -4.567 -10.815 1.00 73.21 H new ATOM 0 HA LYS A 29 -6.483 -5.051 -8.177 1.00 15.22 H new ATOM 0 HB2 LYS A 29 -8.103 -3.946 -9.559 1.00 42.13 H new ATOM 0 HB3 LYS A 29 -7.698 -4.944 -10.942 1.00 42.13 H new ATOM 0 HG2 LYS A 29 -8.550 -6.953 -9.835 1.00 54.51 H new ATOM 0 HG3 LYS A 29 -8.759 -6.094 -8.322 1.00 54.51 H new ATOM 0 HD2 LYS A 29 -10.249 -5.332 -10.865 1.00 52.23 H new ATOM 0 HD3 LYS A 29 -10.881 -6.480 -9.702 1.00 52.23 H new ATOM 0 HE2 LYS A 29 -10.679 -4.716 -7.904 1.00 11.41 H new ATOM 0 HE3 LYS A 29 -10.145 -3.573 -9.121 1.00 11.41 H new ATOM 0 HZ1 LYS A 29 -12.493 -3.361 -8.690 1.00 55.54 H new ATOM 0 HZ2 LYS A 29 -12.238 -3.878 -10.287 1.00 55.54 H new ATOM 0 HZ3 LYS A 29 -12.755 -4.986 -9.108 1.00 55.54 H new ATOM 422 N GLY A 30 -5.197 -7.167 -8.482 1.00 51.13 N ATOM 423 CA GLY A 30 -4.746 -8.538 -8.470 1.00 31.00 C ATOM 424 C GLY A 30 -5.853 -9.481 -8.031 1.00 20.24 C ATOM 425 O GLY A 30 -7.041 -9.149 -8.109 1.00 54.25 O ATOM 0 H GLY A 30 -4.918 -6.639 -7.655 1.00 51.13 H new ATOM 0 HA2 GLY A 30 -4.401 -8.818 -9.465 1.00 31.00 H new ATOM 0 HA3 GLY A 30 -3.894 -8.637 -7.798 1.00 31.00 H new ATOM 429 N ASP A 31 -5.467 -10.659 -7.546 1.00 23.21 N ATOM 430 CA ASP A 31 -6.410 -11.600 -6.955 1.00 42.42 C ATOM 431 C ASP A 31 -7.039 -10.928 -5.735 1.00 0.30 C ATOM 432 O ASP A 31 -6.309 -10.438 -4.867 1.00 1.51 O ATOM 433 CB ASP A 31 -5.734 -12.915 -6.526 1.00 21.41 C ATOM 434 CG ASP A 31 -6.553 -14.159 -6.841 1.00 53.23 C ATOM 435 OD1 ASP A 31 -7.754 -14.037 -7.168 1.00 63.34 O ATOM 436 OD2 ASP A 31 -6.027 -15.267 -6.611 1.00 61.05 O ATOM 0 H ASP A 31 -4.500 -10.984 -7.552 1.00 23.21 H new ATOM 0 HA ASP A 31 -7.161 -11.857 -7.702 1.00 42.42 H new ATOM 0 HB2 ASP A 31 -4.766 -12.994 -7.022 1.00 21.41 H new ATOM 0 HB3 ASP A 31 -5.541 -12.880 -5.454 1.00 21.41 H new ATOM 440 N ALA A 32 -8.367 -10.889 -5.631 1.00 31.42 N ATOM 441 CA ALA A 32 -9.050 -10.313 -4.474 1.00 62.11 C ATOM 442 C ALA A 32 -8.765 -11.082 -3.178 1.00 74.34 C ATOM 443 O ALA A 32 -8.971 -10.543 -2.087 1.00 21.34 O ATOM 444 CB ALA A 32 -10.559 -10.272 -4.740 1.00 62.31 C ATOM 0 H ALA A 32 -8.998 -11.255 -6.344 1.00 31.42 H new ATOM 0 HA ALA A 32 -8.665 -9.303 -4.334 1.00 62.11 H new ATOM 0 HB1 ALA A 32 -11.069 -9.843 -3.878 1.00 62.31 H new ATOM 0 HB2 ALA A 32 -10.757 -9.660 -5.620 1.00 62.31 H new ATOM 0 HB3 ALA A 32 -10.926 -11.284 -4.912 1.00 62.31 H new ATOM 450 N ARG A 33 -8.309 -12.333 -3.286 1.00 60.41 N ATOM 451 CA ARG A 33 -8.158 -13.283 -2.189 1.00 32.40 C ATOM 452 C ARG A 33 -6.720 -13.712 -1.933 1.00 14.12 C ATOM 453 O ARG A 33 -6.457 -14.304 -0.881 1.00 41.11 O ATOM 454 CB ARG A 33 -9.008 -14.520 -2.494 1.00 11.53 C ATOM 455 CG ARG A 33 -10.509 -14.179 -2.501 1.00 61.24 C ATOM 456 CD ARG A 33 -11.353 -15.344 -1.987 1.00 15.50 C ATOM 457 NE ARG A 33 -11.061 -15.610 -0.575 1.00 64.32 N ATOM 458 CZ ARG A 33 -11.459 -14.885 0.471 1.00 2.11 C ATOM 459 NH1 ARG A 33 -12.277 -13.849 0.306 1.00 43.24 N ATOM 460 NH2 ARG A 33 -11.044 -15.202 1.689 1.00 44.22 N ATOM 0 H ARG A 33 -8.023 -12.725 -4.183 1.00 60.41 H new ATOM 0 HA ARG A 33 -8.489 -12.776 -1.283 1.00 32.40 H new ATOM 0 HB2 ARG A 33 -8.722 -14.931 -3.462 1.00 11.53 H new ATOM 0 HB3 ARG A 33 -8.812 -15.292 -1.750 1.00 11.53 H new ATOM 0 HG2 ARG A 33 -10.686 -13.300 -1.881 1.00 61.24 H new ATOM 0 HG3 ARG A 33 -10.820 -13.923 -3.514 1.00 61.24 H new ATOM 0 HD2 ARG A 33 -12.412 -15.114 -2.108 1.00 15.50 H new ATOM 0 HD3 ARG A 33 -11.151 -16.236 -2.580 1.00 15.50 H new ATOM 0 HE ARG A 33 -10.495 -16.434 -0.372 1.00 64.32 H new ATOM 0 HH11 ARG A 33 -12.606 -13.603 -0.628 1.00 43.24 H new ATOM 0 HH12 ARG A 33 -12.575 -13.301 1.113 1.00 43.24 H new ATOM 0 HH21 ARG A 33 -10.422 -15.999 1.825 1.00 44.22 H new ATOM 0 HH22 ARG A 33 -11.347 -14.649 2.491 1.00 44.22 H new ATOM 471 N ALA A 34 -5.817 -13.473 -2.879 1.00 15.22 N ATOM 472 CA ALA A 34 -4.455 -13.987 -2.845 1.00 20.44 C ATOM 473 C ALA A 34 -3.449 -13.092 -3.572 1.00 51.33 C ATOM 474 O ALA A 34 -2.274 -13.451 -3.646 1.00 63.05 O ATOM 475 CB ALA A 34 -4.449 -15.421 -3.398 1.00 72.03 C ATOM 0 H ALA A 34 -6.016 -12.907 -3.704 1.00 15.22 H new ATOM 0 HA ALA A 34 -4.123 -13.993 -1.807 1.00 20.44 H new ATOM 0 HB1 ALA A 34 -3.433 -15.815 -3.377 1.00 72.03 H new ATOM 0 HB2 ALA A 34 -5.095 -16.050 -2.785 1.00 72.03 H new ATOM 0 HB3 ALA A 34 -4.815 -15.417 -4.425 1.00 72.03 H new ATOM 481 N GLY A 35 -3.878 -11.940 -4.090 1.00 43.51 N ATOM 482 CA GLY A 35 -3.012 -11.030 -4.804 1.00 33.02 C ATOM 483 C GLY A 35 -2.252 -10.210 -3.781 1.00 21.14 C ATOM 484 O GLY A 35 -2.841 -9.768 -2.790 1.00 44.42 O ATOM 0 H GLY A 35 -4.844 -11.620 -4.020 1.00 43.51 H new ATOM 0 HA2 GLY A 35 -2.320 -11.582 -5.440 1.00 33.02 H new ATOM 0 HA3 GLY A 35 -3.596 -10.380 -5.456 1.00 33.02 H new ATOM 488 N ALA A 36 -0.965 -9.993 -4.037 1.00 4.53 N ATOM 489 CA ALA A 36 -0.153 -9.093 -3.240 1.00 43.55 C ATOM 490 C ALA A 36 -0.549 -7.655 -3.547 1.00 4.33 C ATOM 491 O ALA A 36 -1.313 -7.408 -4.472 1.00 75.02 O ATOM 492 CB ALA A 36 1.320 -9.326 -3.547 1.00 22.10 C ATOM 0 H ALA A 36 -0.460 -10.438 -4.804 1.00 4.53 H new ATOM 0 HA ALA A 36 -0.317 -9.283 -2.179 1.00 43.55 H new ATOM 0 HB1 ALA A 36 1.928 -8.649 -2.947 1.00 22.10 H new ATOM 0 HB2 ALA A 36 1.583 -10.357 -3.309 1.00 22.10 H new ATOM 0 HB3 ALA A 36 1.505 -9.139 -4.605 1.00 22.10 H new ATOM 498 N VAL A 37 -0.039 -6.685 -2.799 1.00 13.52 N ATOM 499 CA VAL A 37 -0.432 -5.294 -2.857 1.00 43.14 C ATOM 500 C VAL A 37 0.763 -4.439 -2.479 1.00 63.11 C ATOM 501 O VAL A 37 1.517 -4.775 -1.561 1.00 62.02 O ATOM 502 CB VAL A 37 -1.616 -5.030 -1.897 1.00 72.24 C ATOM 503 CG1 VAL A 37 -1.850 -6.148 -0.895 1.00 62.41 C ATOM 504 CG2 VAL A 37 -1.851 -3.538 -1.614 1.00 31.30 C ATOM 0 H VAL A 37 0.690 -6.860 -2.108 1.00 13.52 H new ATOM 0 HA VAL A 37 -0.758 -5.042 -3.866 1.00 43.14 H new ATOM 0 HB VAL A 37 -2.588 -5.167 -2.370 1.00 72.24 H new ATOM 0 HG11 VAL A 37 -2.695 -5.893 -0.256 1.00 62.41 H new ATOM 0 HG12 VAL A 37 -2.064 -7.075 -1.427 1.00 62.41 H new ATOM 0 HG13 VAL A 37 -0.958 -6.280 -0.282 1.00 62.41 H new ATOM 0 HG21 VAL A 37 -2.696 -3.425 -0.934 1.00 31.30 H new ATOM 0 HG22 VAL A 37 -0.959 -3.109 -1.158 1.00 31.30 H new ATOM 0 HG23 VAL A 37 -2.066 -3.020 -2.549 1.00 31.30 H new ATOM 514 N LEU A 38 0.861 -3.297 -3.153 1.00 35.10 N ATOM 515 CA LEU A 38 1.658 -2.143 -2.831 1.00 54.13 C ATOM 516 C LEU A 38 0.696 -1.063 -2.367 1.00 23.14 C ATOM 517 O LEU A 38 -0.171 -0.644 -3.135 1.00 4.54 O ATOM 518 CB LEU A 38 2.397 -1.690 -4.094 1.00 14.12 C ATOM 519 CG LEU A 38 3.662 -2.496 -4.425 1.00 75.21 C ATOM 520 CD1 LEU A 38 3.693 -3.936 -3.937 1.00 74.41 C ATOM 521 CD2 LEU A 38 3.934 -2.398 -5.918 1.00 73.14 C ATOM 0 H LEU A 38 0.333 -3.155 -4.014 1.00 35.10 H new ATOM 0 HA LEU A 38 2.394 -2.357 -2.056 1.00 54.13 H new ATOM 0 HB2 LEU A 38 1.712 -1.751 -4.940 1.00 14.12 H new ATOM 0 HB3 LEU A 38 2.671 -0.641 -3.981 1.00 14.12 H new ATOM 0 HG LEU A 38 4.466 -2.035 -3.851 1.00 75.21 H new ATOM 0 HD11 LEU A 38 4.635 -4.400 -4.231 1.00 74.41 H new ATOM 0 HD12 LEU A 38 3.603 -3.954 -2.851 1.00 74.41 H new ATOM 0 HD13 LEU A 38 2.863 -4.488 -4.379 1.00 74.41 H new ATOM 0 HD21 LEU A 38 4.831 -2.967 -6.163 1.00 73.14 H new ATOM 0 HD22 LEU A 38 3.085 -2.803 -6.470 1.00 73.14 H new ATOM 0 HD23 LEU A 38 4.081 -1.354 -6.193 1.00 73.14 H new ATOM 532 N VAL A 39 0.843 -0.616 -1.126 1.00 15.43 N ATOM 533 CA VAL A 39 0.221 0.617 -0.664 1.00 71.01 C ATOM 534 C VAL A 39 1.328 1.654 -0.739 1.00 42.23 C ATOM 535 O VAL A 39 2.401 1.432 -0.181 1.00 71.03 O ATOM 536 CB VAL A 39 -0.348 0.470 0.761 1.00 71.24 C ATOM 537 CG1 VAL A 39 -0.984 1.784 1.234 1.00 52.43 C ATOM 538 CG2 VAL A 39 -1.417 -0.626 0.824 1.00 53.41 C ATOM 0 H VAL A 39 1.394 -1.096 -0.415 1.00 15.43 H new ATOM 0 HA VAL A 39 -0.638 0.900 -1.273 1.00 71.01 H new ATOM 0 HB VAL A 39 0.488 0.204 1.408 1.00 71.24 H new ATOM 0 HG11 VAL A 39 -1.378 1.655 2.242 1.00 52.43 H new ATOM 0 HG12 VAL A 39 -0.231 2.572 1.237 1.00 52.43 H new ATOM 0 HG13 VAL A 39 -1.795 2.059 0.560 1.00 52.43 H new ATOM 0 HG21 VAL A 39 -1.798 -0.704 1.842 1.00 53.41 H new ATOM 0 HG22 VAL A 39 -2.235 -0.376 0.149 1.00 53.41 H new ATOM 0 HG23 VAL A 39 -0.979 -1.579 0.526 1.00 53.41 H new ATOM 548 N LYS A 40 1.121 2.774 -1.417 1.00 22.33 N ATOM 549 CA LYS A 40 2.088 3.864 -1.430 1.00 52.21 C ATOM 550 C LYS A 40 1.385 5.085 -0.838 1.00 73.24 C ATOM 551 O LYS A 40 0.168 5.234 -0.964 1.00 0.52 O ATOM 552 CB LYS A 40 2.622 4.040 -2.862 1.00 75.13 C ATOM 553 CG LYS A 40 3.390 5.356 -3.087 1.00 24.02 C ATOM 554 CD LYS A 40 4.224 5.387 -4.373 1.00 64.32 C ATOM 555 CE LYS A 40 4.711 6.827 -4.583 1.00 60.22 C ATOM 556 NZ LYS A 40 5.571 6.975 -5.775 1.00 23.22 N ATOM 0 H LYS A 40 0.283 2.953 -1.971 1.00 22.33 H new ATOM 0 HA LYS A 40 2.972 3.676 -0.821 1.00 52.21 H new ATOM 0 HB2 LYS A 40 3.279 3.203 -3.099 1.00 75.13 H new ATOM 0 HB3 LYS A 40 1.785 3.996 -3.559 1.00 75.13 H new ATOM 0 HG2 LYS A 40 2.677 6.180 -3.110 1.00 24.02 H new ATOM 0 HG3 LYS A 40 4.049 5.529 -2.236 1.00 24.02 H new ATOM 0 HD2 LYS A 40 5.071 4.705 -4.295 1.00 64.32 H new ATOM 0 HD3 LYS A 40 3.627 5.058 -5.223 1.00 64.32 H new ATOM 0 HE2 LYS A 40 3.848 7.486 -4.679 1.00 60.22 H new ATOM 0 HE3 LYS A 40 5.263 7.151 -3.701 1.00 60.22 H new ATOM 0 HZ1 LYS A 40 6.374 7.595 -5.549 1.00 23.22 H new ATOM 0 HZ2 LYS A 40 5.926 6.041 -6.065 1.00 23.22 H new ATOM 0 HZ3 LYS A 40 5.019 7.393 -6.551 1.00 23.22 H new ATOM 566 N ALA A 41 2.144 5.926 -0.141 1.00 32.31 N ATOM 567 CA ALA A 41 1.672 7.122 0.534 1.00 61.31 C ATOM 568 C ALA A 41 2.588 8.271 0.132 1.00 21.31 C ATOM 569 O ALA A 41 3.791 8.062 -0.047 1.00 42.11 O ATOM 570 CB ALA A 41 1.694 6.890 2.049 1.00 71.43 C ATOM 0 H ALA A 41 3.148 5.782 -0.029 1.00 32.31 H new ATOM 0 HA ALA A 41 0.647 7.362 0.251 1.00 61.31 H new ATOM 0 HB1 ALA A 41 1.340 7.786 2.559 1.00 71.43 H new ATOM 0 HB2 ALA A 41 1.045 6.050 2.298 1.00 71.43 H new ATOM 0 HB3 ALA A 41 2.712 6.669 2.368 1.00 71.43 H new ATOM 576 N VAL A 42 2.046 9.479 -0.003 1.00 31.31 N ATOM 577 CA VAL A 42 2.758 10.605 -0.593 1.00 11.10 C ATOM 578 C VAL A 42 2.508 11.850 0.266 1.00 13.42 C ATOM 579 O VAL A 42 1.459 12.488 0.156 1.00 0.10 O ATOM 580 CB VAL A 42 2.373 10.746 -2.080 1.00 15.34 C ATOM 581 CG1 VAL A 42 3.320 11.758 -2.721 1.00 43.24 C ATOM 582 CG2 VAL A 42 2.474 9.432 -2.876 1.00 41.21 C ATOM 0 H VAL A 42 1.097 9.703 0.296 1.00 31.31 H new ATOM 0 HA VAL A 42 3.837 10.449 -0.594 1.00 11.10 H new ATOM 0 HB VAL A 42 1.330 11.061 -2.110 1.00 15.34 H new ATOM 0 HG11 VAL A 42 3.068 11.876 -3.775 1.00 43.24 H new ATOM 0 HG12 VAL A 42 3.222 12.719 -2.215 1.00 43.24 H new ATOM 0 HG13 VAL A 42 4.347 11.403 -2.631 1.00 43.24 H new ATOM 0 HG21 VAL A 42 2.188 9.611 -3.912 1.00 41.21 H new ATOM 0 HG22 VAL A 42 3.499 9.064 -2.841 1.00 41.21 H new ATOM 0 HG23 VAL A 42 1.807 8.689 -2.439 1.00 41.21 H new ATOM 592 N ASP A 43 3.466 12.137 1.153 1.00 4.14 N ATOM 593 CA ASP A 43 3.463 13.124 2.233 1.00 53.24 C ATOM 594 C ASP A 43 3.615 14.539 1.678 1.00 23.14 C ATOM 595 O ASP A 43 4.725 15.009 1.415 1.00 64.32 O ATOM 596 CB ASP A 43 4.636 12.787 3.174 1.00 60.33 C ATOM 597 CG ASP A 43 4.646 13.463 4.552 1.00 35.33 C ATOM 598 OD1 ASP A 43 4.405 14.685 4.658 1.00 41.14 O ATOM 599 OD2 ASP A 43 4.951 12.749 5.537 1.00 62.25 O ATOM 0 H ASP A 43 4.352 11.631 1.128 1.00 4.14 H new ATOM 0 HA ASP A 43 2.516 13.088 2.772 1.00 53.24 H new ATOM 0 HB2 ASP A 43 4.647 11.708 3.327 1.00 60.33 H new ATOM 0 HB3 ASP A 43 5.564 13.046 2.664 1.00 60.33 H new ATOM 603 N ARG A 44 2.508 15.230 1.406 1.00 20.30 N ATOM 604 CA ARG A 44 2.551 16.552 0.767 1.00 0.12 C ATOM 605 C ARG A 44 3.265 17.585 1.637 1.00 54.22 C ATOM 606 O ARG A 44 3.808 18.552 1.102 1.00 11.33 O ATOM 607 CB ARG A 44 1.128 17.026 0.419 1.00 53.14 C ATOM 608 CG ARG A 44 0.422 16.077 -0.555 1.00 32.20 C ATOM 609 CD ARG A 44 0.856 16.326 -2.002 1.00 4.14 C ATOM 610 NE ARG A 44 -0.068 17.250 -2.675 1.00 60.33 N ATOM 611 CZ ARG A 44 -1.232 16.897 -3.233 1.00 21.22 C ATOM 612 NH1 ARG A 44 -1.630 15.625 -3.212 1.00 0.04 N ATOM 613 NH2 ARG A 44 -1.999 17.823 -3.798 1.00 20.33 N ATOM 0 H ARG A 44 1.567 14.898 1.617 1.00 20.30 H new ATOM 0 HA ARG A 44 3.126 16.453 -0.154 1.00 0.12 H new ATOM 0 HB2 ARG A 44 0.541 17.108 1.334 1.00 53.14 H new ATOM 0 HB3 ARG A 44 1.176 18.023 -0.019 1.00 53.14 H new ATOM 0 HG2 ARG A 44 0.642 15.045 -0.281 1.00 32.20 H new ATOM 0 HG3 ARG A 44 -0.657 16.206 -0.471 1.00 32.20 H new ATOM 0 HD2 ARG A 44 1.865 16.739 -2.017 1.00 4.14 H new ATOM 0 HD3 ARG A 44 0.890 15.381 -2.544 1.00 4.14 H new ATOM 0 HE ARG A 44 0.198 18.234 -2.720 1.00 60.33 H new ATOM 0 HH11 ARG A 44 -1.046 14.915 -2.769 1.00 0.04 H new ATOM 0 HH12 ARG A 44 -2.518 15.361 -3.639 1.00 0.04 H new ATOM 0 HH21 ARG A 44 -1.700 18.798 -3.805 1.00 20.33 H new ATOM 0 HH22 ARG A 44 -2.887 17.559 -4.225 1.00 20.33 H new ATOM 624 N ARG A 45 3.274 17.405 2.958 1.00 40.04 N ATOM 625 CA ARG A 45 3.928 18.303 3.896 1.00 61.32 C ATOM 626 C ARG A 45 5.437 18.169 3.759 1.00 41.34 C ATOM 627 O ARG A 45 6.095 19.168 3.466 1.00 14.41 O ATOM 628 CB ARG A 45 3.447 17.992 5.317 1.00 64.52 C ATOM 629 CG ARG A 45 2.086 18.631 5.606 1.00 75.34 C ATOM 630 CD ARG A 45 1.607 18.243 7.011 1.00 62.10 C ATOM 631 NE ARG A 45 2.390 18.961 8.027 1.00 2.23 N ATOM 632 CZ ARG A 45 2.911 18.469 9.154 1.00 24.31 C ATOM 633 NH1 ARG A 45 2.580 17.288 9.657 1.00 53.10 N ATOM 634 NH2 ARG A 45 3.790 19.199 9.819 1.00 21.31 N ATOM 0 H ARG A 45 2.816 16.613 3.410 1.00 40.04 H new ATOM 0 HA ARG A 45 3.668 19.339 3.677 1.00 61.32 H new ATOM 0 HB2 ARG A 45 3.378 16.912 5.450 1.00 64.52 H new ATOM 0 HB3 ARG A 45 4.180 18.355 6.037 1.00 64.52 H new ATOM 0 HG2 ARG A 45 2.161 19.715 5.526 1.00 75.34 H new ATOM 0 HG3 ARG A 45 1.358 18.306 4.863 1.00 75.34 H new ATOM 0 HD2 ARG A 45 0.549 18.480 7.121 1.00 62.10 H new ATOM 0 HD3 ARG A 45 1.709 17.167 7.155 1.00 62.10 H new ATOM 0 HE ARG A 45 2.555 19.952 7.850 1.00 2.23 H new ATOM 0 HH11 ARG A 45 1.894 16.704 9.179 1.00 53.10 H new ATOM 0 HH12 ARG A 45 3.011 16.963 10.522 1.00 53.10 H new ATOM 0 HH21 ARG A 45 4.058 20.119 9.469 1.00 21.31 H new ATOM 0 HH22 ARG A 45 4.200 18.842 10.682 1.00 21.31 H new ATOM 645 N GLU A 46 6.004 16.980 3.946 1.00 55.00 N ATOM 646 CA GLU A 46 7.459 16.812 3.870 1.00 40.24 C ATOM 647 C GLU A 46 7.955 16.729 2.415 1.00 63.40 C ATOM 648 O GLU A 46 9.161 16.781 2.155 1.00 61.23 O ATOM 649 CB GLU A 46 7.900 15.612 4.723 1.00 63.11 C ATOM 650 CG GLU A 46 7.562 15.854 6.207 1.00 40.21 C ATOM 651 CD GLU A 46 8.395 15.030 7.193 1.00 71.30 C ATOM 652 OE1 GLU A 46 9.628 14.910 7.010 1.00 74.53 O ATOM 653 OE2 GLU A 46 7.883 14.626 8.269 1.00 35.52 O ATOM 0 H GLU A 46 5.487 16.124 4.149 1.00 55.00 H new ATOM 0 HA GLU A 46 7.932 17.701 4.288 1.00 40.24 H new ATOM 0 HB2 GLU A 46 7.403 14.707 4.373 1.00 63.11 H new ATOM 0 HB3 GLU A 46 8.972 15.451 4.609 1.00 63.11 H new ATOM 0 HG2 GLU A 46 7.701 16.912 6.430 1.00 40.21 H new ATOM 0 HG3 GLU A 46 6.507 15.630 6.367 1.00 40.21 H new ATOM 658 N GLY A 47 7.040 16.630 1.445 1.00 74.11 N ATOM 659 CA GLY A 47 7.371 16.447 0.041 1.00 60.41 C ATOM 660 C GLY A 47 7.952 15.056 -0.207 1.00 23.45 C ATOM 661 O GLY A 47 8.630 14.851 -1.211 1.00 71.53 O ATOM 0 H GLY A 47 6.037 16.676 1.623 1.00 74.11 H new ATOM 0 HA2 GLY A 47 6.478 16.586 -0.568 1.00 60.41 H new ATOM 0 HA3 GLY A 47 8.089 17.206 -0.269 1.00 60.41 H new ATOM 665 N THR A 48 7.751 14.105 0.704 1.00 60.34 N ATOM 666 CA THR A 48 8.320 12.770 0.616 1.00 2.03 C ATOM 667 C THR A 48 7.273 11.827 0.005 1.00 32.11 C ATOM 668 O THR A 48 6.105 12.199 -0.166 1.00 3.14 O ATOM 669 CB THR A 48 8.799 12.340 2.018 1.00 53.14 C ATOM 670 OG1 THR A 48 7.805 12.579 2.981 1.00 33.31 O ATOM 671 CG2 THR A 48 10.005 13.152 2.493 1.00 71.43 C ATOM 0 H THR A 48 7.178 14.247 1.536 1.00 60.34 H new ATOM 0 HA THR A 48 9.192 12.741 -0.037 1.00 2.03 H new ATOM 0 HB THR A 48 9.047 11.283 1.924 1.00 53.14 H new ATOM 0 HG1 THR A 48 8.129 12.298 3.862 1.00 33.31 H new ATOM 0 HG21 THR A 48 10.305 12.812 3.484 1.00 71.43 H new ATOM 0 HG22 THR A 48 10.833 13.015 1.797 1.00 71.43 H new ATOM 0 HG23 THR A 48 9.738 14.208 2.537 1.00 71.43 H new ATOM 679 N ALA A 49 7.669 10.589 -0.282 1.00 44.02 N ATOM 680 CA ALA A 49 6.768 9.471 -0.502 1.00 62.35 C ATOM 681 C ALA A 49 7.286 8.293 0.321 1.00 71.32 C ATOM 682 O ALA A 49 8.432 8.312 0.775 1.00 24.53 O ATOM 683 CB ALA A 49 6.682 9.138 -1.996 1.00 63.55 C ATOM 0 H ALA A 49 8.653 10.334 -0.369 1.00 44.02 H new ATOM 0 HA ALA A 49 5.755 9.716 -0.183 1.00 62.35 H new ATOM 0 HB1 ALA A 49 6.003 8.298 -2.143 1.00 63.55 H new ATOM 0 HB2 ALA A 49 6.310 10.005 -2.541 1.00 63.55 H new ATOM 0 HB3 ALA A 49 7.672 8.873 -2.367 1.00 63.55 H new ATOM 689 N ARG A 50 6.445 7.281 0.525 1.00 54.42 N ATOM 690 CA ARG A 50 6.765 6.016 1.191 1.00 20.44 C ATOM 691 C ARG A 50 6.014 4.917 0.473 1.00 23.30 C ATOM 692 O ARG A 50 4.905 5.151 -0.005 1.00 2.11 O ATOM 693 CB ARG A 50 6.341 6.042 2.670 1.00 34.21 C ATOM 694 CG ARG A 50 7.348 6.807 3.527 1.00 35.33 C ATOM 695 CD ARG A 50 8.493 5.879 3.900 1.00 44.05 C ATOM 696 NE ARG A 50 9.714 6.579 4.300 1.00 0.12 N ATOM 697 CZ ARG A 50 10.792 5.945 4.767 1.00 0.10 C ATOM 698 NH1 ARG A 50 10.732 4.636 5.014 1.00 71.35 N ATOM 699 NH2 ARG A 50 11.910 6.617 4.987 1.00 74.13 N ATOM 0 H ARG A 50 5.474 7.321 0.216 1.00 54.42 H new ATOM 0 HA ARG A 50 7.842 5.849 1.156 1.00 20.44 H new ATOM 0 HB2 ARG A 50 5.359 6.506 2.760 1.00 34.21 H new ATOM 0 HB3 ARG A 50 6.247 5.021 3.041 1.00 34.21 H new ATOM 0 HG2 ARG A 50 7.727 7.670 2.980 1.00 35.33 H new ATOM 0 HG3 ARG A 50 6.864 7.187 4.427 1.00 35.33 H new ATOM 0 HD2 ARG A 50 8.172 5.232 4.716 1.00 44.05 H new ATOM 0 HD3 ARG A 50 8.717 5.234 3.051 1.00 44.05 H new ATOM 0 HE ARG A 50 9.743 7.595 4.219 1.00 0.12 H new ATOM 0 HH11 ARG A 50 9.866 4.124 4.846 1.00 71.35 H new ATOM 0 HH12 ARG A 50 11.552 4.146 5.371 1.00 71.35 H new ATOM 0 HH21 ARG A 50 11.948 7.619 4.800 1.00 74.13 H new ATOM 0 HH22 ARG A 50 12.734 6.133 5.344 1.00 74.13 H new ATOM 710 N LEU A 51 6.592 3.722 0.415 1.00 63.42 N ATOM 711 CA LEU A 51 6.072 2.644 -0.424 1.00 40.54 C ATOM 712 C LEU A 51 6.122 1.355 0.367 1.00 74.33 C ATOM 713 O LEU A 51 7.192 0.940 0.815 1.00 33.33 O ATOM 714 CB LEU A 51 6.855 2.548 -1.738 1.00 34.11 C ATOM 715 CG LEU A 51 6.028 2.022 -2.921 1.00 11.30 C ATOM 716 CD1 LEU A 51 6.903 2.027 -4.155 1.00 43.33 C ATOM 717 CD2 LEU A 51 5.419 0.631 -2.800 1.00 44.52 C ATOM 0 H LEU A 51 7.428 3.473 0.943 1.00 63.42 H new ATOM 0 HA LEU A 51 5.037 2.848 -0.699 1.00 40.54 H new ATOM 0 HB2 LEU A 51 7.244 3.534 -1.990 1.00 34.11 H new ATOM 0 HB3 LEU A 51 7.715 1.895 -1.590 1.00 34.11 H new ATOM 0 HG LEU A 51 5.174 2.698 -2.961 1.00 11.30 H new ATOM 0 HD11 LEU A 51 6.333 1.656 -5.007 1.00 43.33 H new ATOM 0 HD12 LEU A 51 7.239 3.044 -4.358 1.00 43.33 H new ATOM 0 HD13 LEU A 51 7.768 1.385 -3.990 1.00 43.33 H new ATOM 0 HD21 LEU A 51 4.865 0.396 -3.709 1.00 44.52 H new ATOM 0 HD22 LEU A 51 6.213 -0.103 -2.659 1.00 44.52 H new ATOM 0 HD23 LEU A 51 4.743 0.603 -1.945 1.00 44.52 H new ATOM 728 N PHE A 52 4.959 0.749 0.562 1.00 61.25 N ATOM 729 CA PHE A 52 4.774 -0.395 1.426 1.00 33.21 C ATOM 730 C PHE A 52 4.294 -1.558 0.574 1.00 73.04 C ATOM 731 O PHE A 52 3.668 -1.362 -0.466 1.00 61.23 O ATOM 732 CB PHE A 52 3.755 -0.066 2.526 1.00 14.23 C ATOM 733 CG PHE A 52 4.102 1.164 3.344 1.00 61.23 C ATOM 734 CD1 PHE A 52 3.678 2.444 2.937 1.00 21.21 C ATOM 735 CD2 PHE A 52 4.866 1.027 4.516 1.00 35.33 C ATOM 736 CE1 PHE A 52 4.033 3.577 3.689 1.00 44.14 C ATOM 737 CE2 PHE A 52 5.218 2.159 5.272 1.00 22.31 C ATOM 738 CZ PHE A 52 4.802 3.437 4.858 1.00 20.40 C ATOM 0 H PHE A 52 4.098 1.053 0.108 1.00 61.25 H new ATOM 0 HA PHE A 52 5.713 -0.660 1.913 1.00 33.21 H new ATOM 0 HB2 PHE A 52 2.777 0.079 2.068 1.00 14.23 H new ATOM 0 HB3 PHE A 52 3.670 -0.922 3.195 1.00 14.23 H new ATOM 0 HD1 PHE A 52 3.079 2.555 2.045 1.00 21.21 H new ATOM 0 HD2 PHE A 52 5.184 0.046 4.838 1.00 35.33 H new ATOM 0 HE1 PHE A 52 3.714 4.558 3.368 1.00 44.14 H new ATOM 0 HE2 PHE A 52 5.807 2.047 6.170 1.00 22.31 H new ATOM 0 HZ PHE A 52 5.072 4.308 5.436 1.00 20.40 H new ATOM 747 N SER A 53 4.526 -2.782 1.028 1.00 53.31 N ATOM 748 CA SER A 53 4.032 -3.989 0.397 1.00 21.42 C ATOM 749 C SER A 53 3.620 -4.958 1.501 1.00 1.31 C ATOM 750 O SER A 53 4.170 -4.909 2.607 1.00 31.23 O ATOM 751 CB SER A 53 5.152 -4.514 -0.504 1.00 35.21 C ATOM 752 OG SER A 53 4.845 -5.698 -1.213 1.00 13.51 O ATOM 0 H SER A 53 5.077 -2.963 1.867 1.00 53.31 H new ATOM 0 HA SER A 53 3.153 -3.830 -0.228 1.00 21.42 H new ATOM 0 HB2 SER A 53 5.415 -3.737 -1.222 1.00 35.21 H new ATOM 0 HB3 SER A 53 6.036 -4.694 0.108 1.00 35.21 H new ATOM 0 HG SER A 53 5.614 -5.959 -1.762 1.00 13.51 H new ATOM 757 N GLU A 54 2.633 -5.812 1.223 1.00 22.42 N ATOM 758 CA GLU A 54 2.238 -6.834 2.177 1.00 52.44 C ATOM 759 C GLU A 54 3.382 -7.829 2.372 1.00 61.05 C ATOM 760 O GLU A 54 4.241 -7.997 1.503 1.00 71.22 O ATOM 761 CB GLU A 54 0.939 -7.541 1.774 1.00 53.52 C ATOM 762 CG GLU A 54 1.034 -8.342 0.466 1.00 14.43 C ATOM 763 CD GLU A 54 -0.036 -9.433 0.376 1.00 40.35 C ATOM 764 OE1 GLU A 54 -1.150 -9.237 0.911 1.00 1.50 O ATOM 765 OE2 GLU A 54 0.272 -10.515 -0.175 1.00 35.42 O ATOM 0 H GLU A 54 2.101 -5.812 0.353 1.00 22.42 H new ATOM 0 HA GLU A 54 2.030 -6.343 3.128 1.00 52.44 H new ATOM 0 HB2 GLU A 54 0.641 -8.214 2.578 1.00 53.52 H new ATOM 0 HB3 GLU A 54 0.150 -6.796 1.674 1.00 53.52 H new ATOM 0 HG2 GLU A 54 0.931 -7.664 -0.381 1.00 14.43 H new ATOM 0 HG3 GLU A 54 2.022 -8.797 0.392 1.00 14.43 H new ATOM 770 N ALA A 55 3.375 -8.521 3.502 1.00 3.22 N ATOM 771 CA ALA A 55 4.266 -9.623 3.809 1.00 34.02 C ATOM 772 C ALA A 55 3.540 -10.581 4.734 1.00 21.04 C ATOM 773 O ALA A 55 2.415 -10.299 5.159 1.00 54.55 O ATOM 774 CB ALA A 55 5.541 -9.073 4.448 1.00 32.20 C ATOM 0 H ALA A 55 2.721 -8.319 4.258 1.00 3.22 H new ATOM 0 HA ALA A 55 4.552 -10.163 2.906 1.00 34.02 H new ATOM 0 HB1 ALA A 55 6.216 -9.897 4.681 1.00 32.20 H new ATOM 0 HB2 ALA A 55 6.030 -8.389 3.754 1.00 32.20 H new ATOM 0 HB3 ALA A 55 5.288 -8.540 5.365 1.00 32.20 H new ATOM 780 N THR A 56 4.179 -11.698 5.055 1.00 32.41 N ATOM 781 CA THR A 56 3.696 -12.642 6.043 1.00 75.33 C ATOM 782 C THR A 56 4.886 -13.165 6.838 1.00 4.52 C ATOM 783 O THR A 56 5.960 -13.420 6.286 1.00 54.42 O ATOM 784 CB THR A 56 2.874 -13.776 5.395 1.00 73.44 C ATOM 785 OG1 THR A 56 2.930 -13.778 3.977 1.00 32.11 O ATOM 786 CG2 THR A 56 1.405 -13.638 5.780 1.00 54.12 C ATOM 0 H THR A 56 5.062 -11.974 4.626 1.00 32.41 H new ATOM 0 HA THR A 56 3.011 -12.139 6.726 1.00 75.33 H new ATOM 0 HB THR A 56 3.314 -14.703 5.763 1.00 73.44 H new ATOM 0 HG1 THR A 56 2.392 -14.519 3.629 1.00 32.11 H new ATOM 0 HG21 THR A 56 0.831 -14.442 5.319 1.00 54.12 H new ATOM 0 HG22 THR A 56 1.306 -13.697 6.864 1.00 54.12 H new ATOM 0 HG23 THR A 56 1.027 -12.677 5.433 1.00 54.12 H new ATOM 794 N ARG A 57 4.715 -13.251 8.155 1.00 31.41 N ATOM 795 CA ARG A 57 5.669 -13.871 9.061 1.00 61.32 C ATOM 796 C ARG A 57 5.527 -15.377 8.972 1.00 54.43 C ATOM 797 O ARG A 57 4.585 -15.873 8.356 1.00 61.44 O ATOM 798 CB ARG A 57 5.425 -13.386 10.493 1.00 73.41 C ATOM 799 CG ARG A 57 5.682 -11.888 10.586 1.00 11.10 C ATOM 800 CD ARG A 57 5.751 -11.399 12.027 1.00 11.44 C ATOM 801 NE ARG A 57 6.693 -10.278 12.132 1.00 72.13 N ATOM 802 CZ ARG A 57 6.771 -9.353 13.087 1.00 54.54 C ATOM 803 NH1 ARG A 57 5.865 -9.268 14.054 1.00 42.35 N ATOM 804 NH2 ARG A 57 7.797 -8.516 13.052 1.00 15.42 N ATOM 0 H ARG A 57 3.890 -12.883 8.629 1.00 31.41 H new ATOM 0 HA ARG A 57 6.684 -13.591 8.778 1.00 61.32 H new ATOM 0 HB2 ARG A 57 4.400 -13.607 10.791 1.00 73.41 H new ATOM 0 HB3 ARG A 57 6.079 -13.919 11.183 1.00 73.41 H new ATOM 0 HG2 ARG A 57 6.617 -11.650 10.079 1.00 11.10 H new ATOM 0 HG3 ARG A 57 4.891 -11.353 10.061 1.00 11.10 H new ATOM 0 HD2 ARG A 57 4.762 -11.086 12.361 1.00 11.44 H new ATOM 0 HD3 ARG A 57 6.066 -12.212 12.681 1.00 11.44 H new ATOM 0 HE ARG A 57 7.375 -10.197 11.377 1.00 72.13 H new ATOM 0 HH11 ARG A 57 5.083 -9.922 14.079 1.00 42.35 H new ATOM 0 HH12 ARG A 57 5.951 -8.549 14.772 1.00 42.35 H new ATOM 0 HH21 ARG A 57 8.493 -8.593 12.311 1.00 15.42 H new ATOM 0 HH22 ARG A 57 7.891 -7.794 13.766 1.00 15.42 H new ATOM 815 N GLY A 58 6.410 -16.096 9.655 1.00 35.32 N ATOM 816 CA GLY A 58 6.509 -17.541 9.587 1.00 73.31 C ATOM 817 C GLY A 58 5.233 -18.270 9.992 1.00 53.53 C ATOM 818 O GLY A 58 5.107 -19.443 9.644 1.00 14.42 O ATOM 0 H GLY A 58 7.092 -15.675 10.286 1.00 35.32 H new ATOM 0 HA2 GLY A 58 6.772 -17.829 8.569 1.00 73.31 H new ATOM 0 HA3 GLY A 58 7.323 -17.870 10.232 1.00 73.31 H new ATOM 822 N ASP A 59 4.304 -17.638 10.724 1.00 13.11 N ATOM 823 CA ASP A 59 3.020 -18.271 11.062 1.00 1.44 C ATOM 824 C ASP A 59 1.915 -17.971 10.035 1.00 55.44 C ATOM 825 O ASP A 59 0.757 -18.359 10.204 1.00 15.41 O ATOM 826 CB ASP A 59 2.586 -17.905 12.484 1.00 24.10 C ATOM 827 CG ASP A 59 1.584 -18.926 13.018 1.00 52.14 C ATOM 828 OD1 ASP A 59 1.881 -20.140 12.925 1.00 22.13 O ATOM 829 OD2 ASP A 59 0.491 -18.549 13.494 1.00 1.20 O ATOM 0 H ASP A 59 4.416 -16.693 11.092 1.00 13.11 H new ATOM 0 HA ASP A 59 3.181 -19.348 11.023 1.00 1.44 H new ATOM 0 HB2 ASP A 59 3.457 -17.866 13.138 1.00 24.10 H new ATOM 0 HB3 ASP A 59 2.139 -16.911 12.489 1.00 24.10 H new ATOM 833 N GLY A 60 2.254 -17.254 8.964 1.00 51.51 N ATOM 834 CA GLY A 60 1.296 -16.680 8.037 1.00 41.53 C ATOM 835 C GLY A 60 0.654 -15.413 8.599 1.00 74.14 C ATOM 836 O GLY A 60 -0.408 -15.030 8.117 1.00 20.21 O ATOM 0 H GLY A 60 3.224 -17.055 8.717 1.00 51.51 H new ATOM 0 HA2 GLY A 60 1.795 -16.448 7.096 1.00 41.53 H new ATOM 0 HA3 GLY A 60 0.520 -17.413 7.815 1.00 41.53 H new ATOM 840 N GLU A 61 1.288 -14.760 9.585 1.00 54.42 N ATOM 841 CA GLU A 61 0.810 -13.527 10.200 1.00 2.42 C ATOM 842 C GLU A 61 1.171 -12.349 9.283 1.00 75.31 C ATOM 843 O GLU A 61 2.357 -12.074 9.082 1.00 63.42 O ATOM 844 CB GLU A 61 1.458 -13.385 11.595 1.00 1.51 C ATOM 845 CG GLU A 61 0.531 -12.686 12.591 1.00 35.33 C ATOM 846 CD GLU A 61 -0.412 -13.678 13.279 1.00 35.32 C ATOM 847 OE1 GLU A 61 -0.026 -14.249 14.325 1.00 15.12 O ATOM 848 OE2 GLU A 61 -1.553 -13.889 12.812 1.00 71.35 O ATOM 0 H GLU A 61 2.168 -15.089 9.982 1.00 54.42 H new ATOM 0 HA GLU A 61 -0.272 -13.542 10.327 1.00 2.42 H new ATOM 0 HB2 GLU A 61 1.719 -14.373 11.975 1.00 1.51 H new ATOM 0 HB3 GLU A 61 2.387 -12.821 11.507 1.00 1.51 H new ATOM 0 HG2 GLU A 61 1.128 -12.170 13.343 1.00 35.33 H new ATOM 0 HG3 GLU A 61 -0.055 -11.927 12.072 1.00 35.33 H new ATOM 853 N ARG A 62 0.195 -11.704 8.644 1.00 43.52 N ATOM 854 CA ARG A 62 0.424 -10.657 7.650 1.00 61.32 C ATOM 855 C ARG A 62 0.977 -9.383 8.302 1.00 62.02 C ATOM 856 O ARG A 62 0.761 -9.145 9.491 1.00 23.41 O ATOM 857 CB ARG A 62 -0.911 -10.432 6.924 1.00 40.24 C ATOM 858 CG ARG A 62 -0.901 -9.476 5.723 1.00 22.02 C ATOM 859 CD ARG A 62 -1.229 -10.125 4.374 1.00 2.52 C ATOM 860 NE ARG A 62 -0.133 -10.974 3.885 1.00 13.41 N ATOM 861 CZ ARG A 62 -0.196 -11.755 2.799 1.00 40.54 C ATOM 862 NH1 ARG A 62 -1.254 -11.711 2.001 1.00 24.32 N ATOM 863 NH2 ARG A 62 0.805 -12.568 2.491 1.00 73.14 N ATOM 0 H ARG A 62 -0.793 -11.898 8.806 1.00 43.52 H new ATOM 0 HA ARG A 62 1.184 -10.955 6.928 1.00 61.32 H new ATOM 0 HB2 ARG A 62 -1.278 -11.400 6.583 1.00 40.24 H new ATOM 0 HB3 ARG A 62 -1.632 -10.056 7.650 1.00 40.24 H new ATOM 0 HG2 ARG A 62 -1.619 -8.677 5.908 1.00 22.02 H new ATOM 0 HG3 ARG A 62 0.083 -9.012 5.656 1.00 22.02 H new ATOM 0 HD2 ARG A 62 -2.134 -10.724 4.472 1.00 2.52 H new ATOM 0 HD3 ARG A 62 -1.439 -9.347 3.640 1.00 2.52 H new ATOM 0 HE ARG A 62 0.740 -10.968 4.412 1.00 13.41 H new ATOM 0 HH11 ARG A 62 -2.027 -11.079 2.213 1.00 24.32 H new ATOM 0 HH12 ARG A 62 -1.295 -12.309 1.175 1.00 24.32 H new ATOM 0 HH21 ARG A 62 1.634 -12.603 3.084 1.00 73.14 H new ATOM 0 HH22 ARG A 62 0.746 -13.158 1.661 1.00 73.14 H new ATOM 874 N PHE A 63 1.679 -8.537 7.544 1.00 24.03 N ATOM 875 CA PHE A 63 2.040 -7.176 7.931 1.00 2.20 C ATOM 876 C PHE A 63 2.162 -6.314 6.670 1.00 64.43 C ATOM 877 O PHE A 63 1.956 -6.809 5.556 1.00 24.31 O ATOM 878 CB PHE A 63 3.317 -7.154 8.798 1.00 60.44 C ATOM 879 CG PHE A 63 4.584 -7.821 8.267 1.00 42.11 C ATOM 880 CD1 PHE A 63 4.677 -9.227 8.253 1.00 2.44 C ATOM 881 CD2 PHE A 63 5.728 -7.058 7.932 1.00 63.04 C ATOM 882 CE1 PHE A 63 5.886 -9.851 7.897 1.00 63.31 C ATOM 883 CE2 PHE A 63 6.949 -7.691 7.638 1.00 1.13 C ATOM 884 CZ PHE A 63 7.025 -9.089 7.607 1.00 75.34 C ATOM 0 H PHE A 63 2.021 -8.790 6.617 1.00 24.03 H new ATOM 0 HA PHE A 63 1.255 -6.753 8.558 1.00 2.20 H new ATOM 0 HB2 PHE A 63 3.556 -6.111 9.005 1.00 60.44 H new ATOM 0 HB3 PHE A 63 3.075 -7.621 9.753 1.00 60.44 H new ATOM 0 HD1 PHE A 63 3.818 -9.827 8.516 1.00 2.44 H new ATOM 0 HD2 PHE A 63 5.663 -5.980 7.902 1.00 63.04 H new ATOM 0 HE1 PHE A 63 5.937 -10.929 7.847 1.00 63.31 H new ATOM 0 HE2 PHE A 63 7.829 -7.098 7.436 1.00 1.13 H new ATOM 0 HZ PHE A 63 7.957 -9.577 7.361 1.00 75.34 H new ATOM 893 N TRP A 64 2.498 -5.033 6.840 1.00 13.33 N ATOM 894 CA TRP A 64 2.928 -4.137 5.774 1.00 62.11 C ATOM 895 C TRP A 64 4.371 -3.730 6.055 1.00 74.05 C ATOM 896 O TRP A 64 4.655 -3.064 7.058 1.00 44.42 O ATOM 897 CB TRP A 64 2.000 -2.923 5.675 1.00 64.11 C ATOM 898 CG TRP A 64 0.600 -3.236 5.244 1.00 40.31 C ATOM 899 CD1 TRP A 64 -0.454 -3.409 6.066 1.00 71.04 C ATOM 900 CD2 TRP A 64 0.079 -3.437 3.900 1.00 62.01 C ATOM 901 NE1 TRP A 64 -1.598 -3.636 5.331 1.00 14.10 N ATOM 902 CE2 TRP A 64 -1.319 -3.709 3.982 1.00 3.20 C ATOM 903 CE3 TRP A 64 0.663 -3.459 2.621 1.00 21.02 C ATOM 904 CZ2 TRP A 64 -2.090 -4.027 2.853 1.00 35.42 C ATOM 905 CZ3 TRP A 64 -0.096 -3.786 1.484 1.00 71.34 C ATOM 906 CH2 TRP A 64 -1.472 -4.069 1.590 1.00 40.35 C ATOM 0 H TRP A 64 2.476 -4.580 7.754 1.00 13.33 H new ATOM 0 HA TRP A 64 2.877 -4.641 4.809 1.00 62.11 H new ATOM 0 HB2 TRP A 64 1.964 -2.430 6.647 1.00 64.11 H new ATOM 0 HB3 TRP A 64 2.431 -2.210 4.972 1.00 64.11 H new ATOM 0 HD1 TRP A 64 -0.409 -3.375 7.145 1.00 71.04 H new ATOM 0 HE1 TRP A 64 -2.530 -3.737 5.733 1.00 14.10 H new ATOM 0 HE3 TRP A 64 1.711 -3.221 2.511 1.00 21.02 H new ATOM 0 HZ2 TRP A 64 -3.145 -4.237 2.953 1.00 35.42 H new ATOM 0 HZ3 TRP A 64 0.382 -3.821 0.516 1.00 71.34 H new ATOM 0 HH2 TRP A 64 -2.047 -4.316 0.710 1.00 40.35 H new ATOM 916 N MET A 65 5.284 -4.188 5.206 1.00 74.03 N ATOM 917 CA MET A 65 6.701 -3.815 5.207 1.00 44.14 C ATOM 918 C MET A 65 7.048 -2.794 4.115 1.00 73.42 C ATOM 919 O MET A 65 6.186 -2.435 3.314 1.00 12.21 O ATOM 920 CB MET A 65 7.552 -5.069 5.057 1.00 35.14 C ATOM 921 CG MET A 65 7.532 -5.711 3.663 1.00 33.10 C ATOM 922 SD MET A 65 9.180 -6.070 2.992 1.00 0.12 S ATOM 923 CE MET A 65 9.825 -7.067 4.360 1.00 71.44 C ATOM 0 H MET A 65 5.053 -4.854 4.469 1.00 74.03 H new ATOM 0 HA MET A 65 6.915 -3.330 6.159 1.00 44.14 H new ATOM 0 HB2 MET A 65 8.583 -4.821 5.310 1.00 35.14 H new ATOM 0 HB3 MET A 65 7.214 -5.807 5.784 1.00 35.14 H new ATOM 0 HG2 MET A 65 6.960 -6.638 3.709 1.00 33.10 H new ATOM 0 HG3 MET A 65 7.008 -5.047 2.976 1.00 33.10 H new ATOM 0 HE1 MET A 65 10.566 -7.770 3.980 1.00 71.44 H new ATOM 0 HE2 MET A 65 10.290 -6.414 5.098 1.00 71.44 H new ATOM 0 HE3 MET A 65 9.008 -7.617 4.826 1.00 71.44 H new ATOM 931 N GLN A 66 8.322 -2.390 4.025 1.00 0.40 N ATOM 932 CA GLN A 66 8.874 -1.472 3.034 1.00 40.55 C ATOM 933 C GLN A 66 10.056 -2.103 2.270 1.00 51.55 C ATOM 934 O GLN A 66 11.216 -1.896 2.642 1.00 60.15 O ATOM 935 CB GLN A 66 9.288 -0.145 3.677 1.00 33.14 C ATOM 936 CG GLN A 66 8.108 0.654 4.218 1.00 3.14 C ATOM 937 CD GLN A 66 8.495 2.070 4.620 1.00 42.22 C ATOM 938 OE1 GLN A 66 8.582 2.960 3.780 1.00 61.11 O ATOM 939 NE2 GLN A 66 8.746 2.324 5.889 1.00 72.34 N ATOM 0 H GLN A 66 9.031 -2.717 4.682 1.00 0.40 H new ATOM 0 HA GLN A 66 8.085 -1.266 2.311 1.00 40.55 H new ATOM 0 HB2 GLN A 66 9.986 -0.345 4.490 1.00 33.14 H new ATOM 0 HB3 GLN A 66 9.820 0.458 2.941 1.00 33.14 H new ATOM 0 HG2 GLN A 66 7.325 0.696 3.461 1.00 3.14 H new ATOM 0 HG3 GLN A 66 7.689 0.137 5.081 1.00 3.14 H new ATOM 0 HE21 GLN A 66 8.672 1.580 6.582 1.00 72.34 H new ATOM 0 HE22 GLN A 66 9.014 3.265 6.177 1.00 72.34 H new ATOM 946 N PRO A 67 9.806 -2.863 1.189 1.00 20.34 N ATOM 947 CA PRO A 67 10.855 -3.508 0.389 1.00 11.23 C ATOM 948 C PRO A 67 11.752 -2.544 -0.417 1.00 24.33 C ATOM 949 O PRO A 67 12.709 -2.992 -1.061 1.00 33.22 O ATOM 950 CB PRO A 67 10.110 -4.480 -0.529 1.00 64.33 C ATOM 951 CG PRO A 67 8.718 -3.869 -0.666 1.00 63.22 C ATOM 952 CD PRO A 67 8.487 -3.253 0.706 1.00 73.14 C ATOM 0 HA PRO A 67 11.567 -4.000 1.052 1.00 11.23 H new ATOM 0 HB2 PRO A 67 10.603 -4.571 -1.497 1.00 64.33 H new ATOM 0 HB3 PRO A 67 10.066 -5.480 -0.099 1.00 64.33 H new ATOM 0 HG2 PRO A 67 8.680 -3.121 -1.458 1.00 63.22 H new ATOM 0 HG3 PRO A 67 7.967 -4.622 -0.904 1.00 63.22 H new ATOM 0 HD2 PRO A 67 7.823 -2.391 0.642 1.00 73.14 H new ATOM 0 HD3 PRO A 67 8.018 -3.967 1.382 1.00 73.14 H new ATOM 957 N VAL A 68 11.483 -1.235 -0.417 1.00 53.32 N ATOM 958 CA VAL A 68 12.378 -0.247 -1.010 1.00 11.31 C ATOM 959 C VAL A 68 13.383 0.159 0.064 1.00 22.13 C ATOM 960 O VAL A 68 13.042 0.825 1.038 1.00 72.34 O ATOM 961 CB VAL A 68 11.616 0.959 -1.586 1.00 55.52 C ATOM 962 CG1 VAL A 68 12.589 1.853 -2.378 1.00 22.02 C ATOM 963 CG2 VAL A 68 10.499 0.482 -2.523 1.00 14.43 C ATOM 0 H VAL A 68 10.640 -0.835 -0.006 1.00 53.32 H new ATOM 0 HA VAL A 68 12.900 -0.679 -1.864 1.00 11.31 H new ATOM 0 HB VAL A 68 11.179 1.524 -0.763 1.00 55.52 H new ATOM 0 HG11 VAL A 68 12.048 2.707 -2.786 1.00 22.02 H new ATOM 0 HG12 VAL A 68 13.379 2.206 -1.716 1.00 22.02 H new ATOM 0 HG13 VAL A 68 13.029 1.279 -3.194 1.00 22.02 H new ATOM 0 HG21 VAL A 68 9.967 1.345 -2.924 1.00 14.43 H new ATOM 0 HG22 VAL A 68 10.932 -0.091 -3.343 1.00 14.43 H new ATOM 0 HG23 VAL A 68 9.803 -0.147 -1.969 1.00 14.43 H new ATOM 973 N ARG A 69 14.642 -0.236 -0.113 1.00 42.42 N ATOM 974 CA ARG A 69 15.735 0.037 0.818 1.00 43.33 C ATOM 975 C ARG A 69 16.301 1.452 0.580 1.00 63.15 C ATOM 976 O ARG A 69 17.513 1.675 0.583 1.00 62.43 O ATOM 977 CB ARG A 69 16.727 -1.126 0.651 1.00 63.41 C ATOM 978 CG ARG A 69 17.582 -1.457 1.884 1.00 63.41 C ATOM 979 CD ARG A 69 18.973 -0.829 1.849 1.00 75.44 C ATOM 980 NE ARG A 69 19.752 -1.270 0.681 1.00 72.04 N ATOM 981 CZ ARG A 69 20.757 -0.620 0.095 1.00 13.10 C ATOM 982 NH1 ARG A 69 21.173 0.558 0.543 1.00 34.14 N ATOM 983 NH2 ARG A 69 21.381 -1.164 -0.940 1.00 63.41 N ATOM 0 H ARG A 69 14.938 -0.769 -0.930 1.00 42.42 H new ATOM 0 HA ARG A 69 15.428 0.067 1.863 1.00 43.33 H new ATOM 0 HB2 ARG A 69 16.168 -2.018 0.370 1.00 63.41 H new ATOM 0 HB3 ARG A 69 17.394 -0.893 -0.179 1.00 63.41 H new ATOM 0 HG2 ARG A 69 17.061 -1.117 2.779 1.00 63.41 H new ATOM 0 HG3 ARG A 69 17.683 -2.539 1.966 1.00 63.41 H new ATOM 0 HD2 ARG A 69 18.879 0.257 1.832 1.00 75.44 H new ATOM 0 HD3 ARG A 69 19.510 -1.089 2.761 1.00 75.44 H new ATOM 0 HE ARG A 69 19.495 -2.170 0.276 1.00 72.04 H new ATOM 0 HH11 ARG A 69 20.721 0.984 1.352 1.00 34.14 H new ATOM 0 HH12 ARG A 69 21.944 1.037 0.078 1.00 34.14 H new ATOM 0 HH21 ARG A 69 21.092 -2.079 -1.287 1.00 63.41 H new ATOM 0 HH22 ARG A 69 22.150 -0.668 -1.390 1.00 63.41 H new ATOM 994 N SER A 70 15.425 2.412 0.297 1.00 35.14 N ATOM 995 CA SER A 70 15.724 3.798 -0.025 1.00 24.54 C ATOM 996 C SER A 70 14.451 4.614 0.178 1.00 13.43 C ATOM 997 O SER A 70 13.358 4.051 0.162 1.00 4.40 O ATOM 998 CB SER A 70 16.128 3.861 -1.497 1.00 15.34 C ATOM 999 OG SER A 70 16.645 5.136 -1.831 1.00 35.13 O ATOM 0 H SER A 70 14.422 2.227 0.287 1.00 35.14 H new ATOM 0 HA SER A 70 16.525 4.187 0.604 1.00 24.54 H new ATOM 0 HB2 SER A 70 16.876 3.096 -1.705 1.00 15.34 H new ATOM 0 HB3 SER A 70 15.264 3.640 -2.124 1.00 15.34 H new ATOM 0 HG SER A 70 16.511 5.303 -2.787 1.00 35.13 H new ATOM 1004 N THR A 71 14.563 5.939 0.290 1.00 23.14 N ATOM 1005 CA THR A 71 13.431 6.867 0.367 1.00 75.44 C ATOM 1006 C THR A 71 13.428 7.847 -0.821 1.00 74.54 C ATOM 1007 O THR A 71 12.628 8.781 -0.860 1.00 61.14 O ATOM 1008 CB THR A 71 13.328 7.444 1.783 1.00 3.13 C ATOM 1009 OG1 THR A 71 12.051 7.956 2.092 1.00 40.15 O ATOM 1010 CG2 THR A 71 14.387 8.494 1.979 1.00 20.41 C ATOM 0 H THR A 71 15.467 6.410 0.331 1.00 23.14 H new ATOM 0 HA THR A 71 12.479 6.353 0.232 1.00 75.44 H new ATOM 0 HB THR A 71 13.490 6.618 2.476 1.00 3.13 H new ATOM 0 HG1 THR A 71 11.690 8.428 1.313 1.00 40.15 H new ATOM 0 HG21 THR A 71 14.312 8.903 2.987 1.00 20.41 H new ATOM 0 HG22 THR A 71 15.372 8.048 1.841 1.00 20.41 H new ATOM 0 HG23 THR A 71 14.246 9.293 1.252 1.00 20.41 H new ATOM 1018 N PHE A 72 14.315 7.640 -1.805 1.00 72.52 N ATOM 1019 CA PHE A 72 14.283 8.402 -3.043 1.00 52.12 C ATOM 1020 C PHE A 72 12.995 8.093 -3.782 1.00 54.11 C ATOM 1021 O PHE A 72 12.690 6.929 -4.021 1.00 52.33 O ATOM 1022 CB PHE A 72 15.473 8.064 -3.948 1.00 31.53 C ATOM 1023 CG PHE A 72 16.693 8.928 -3.745 1.00 14.43 C ATOM 1024 CD1 PHE A 72 16.578 10.329 -3.837 1.00 24.22 C ATOM 1025 CD2 PHE A 72 17.953 8.340 -3.541 1.00 22.54 C ATOM 1026 CE1 PHE A 72 17.717 11.140 -3.739 1.00 65.23 C ATOM 1027 CE2 PHE A 72 19.094 9.152 -3.452 1.00 1.14 C ATOM 1028 CZ PHE A 72 18.980 10.549 -3.579 1.00 33.31 C ATOM 0 H PHE A 72 15.062 6.947 -1.759 1.00 72.52 H new ATOM 0 HA PHE A 72 14.340 9.461 -2.790 1.00 52.12 H new ATOM 0 HB2 PHE A 72 15.752 7.023 -3.783 1.00 31.53 H new ATOM 0 HB3 PHE A 72 15.155 8.148 -4.987 1.00 31.53 H new ATOM 0 HD1 PHE A 72 15.608 10.780 -3.984 1.00 24.22 H new ATOM 0 HD2 PHE A 72 18.043 7.267 -3.453 1.00 22.54 H new ATOM 0 HE1 PHE A 72 17.623 12.215 -3.786 1.00 65.23 H new ATOM 0 HE2 PHE A 72 20.062 8.704 -3.286 1.00 1.14 H new ATOM 0 HZ PHE A 72 19.865 11.167 -3.553 1.00 33.31 H new ATOM 1037 N GLU A 73 12.289 9.132 -4.213 1.00 41.11 N ATOM 1038 CA GLU A 73 11.102 9.001 -5.044 1.00 73.12 C ATOM 1039 C GLU A 73 11.322 8.089 -6.265 1.00 72.35 C ATOM 1040 O GLU A 73 10.546 7.150 -6.411 1.00 21.14 O ATOM 1041 CB GLU A 73 10.559 10.395 -5.389 1.00 74.24 C ATOM 1042 CG GLU A 73 9.068 10.503 -5.063 1.00 2.04 C ATOM 1043 CD GLU A 73 8.214 9.555 -5.899 1.00 52.01 C ATOM 1044 OE1 GLU A 73 8.017 9.855 -7.100 1.00 44.31 O ATOM 1045 OE2 GLU A 73 7.720 8.553 -5.335 1.00 32.31 O ATOM 0 H GLU A 73 12.529 10.098 -3.992 1.00 41.11 H new ATOM 0 HA GLU A 73 10.330 8.483 -4.474 1.00 73.12 H new ATOM 0 HB2 GLU A 73 11.112 11.152 -4.832 1.00 74.24 H new ATOM 0 HB3 GLU A 73 10.718 10.599 -6.448 1.00 74.24 H new ATOM 0 HG2 GLU A 73 8.915 10.287 -4.006 1.00 2.04 H new ATOM 0 HG3 GLU A 73 8.737 11.528 -5.231 1.00 2.04 H new ATOM 1050 N PRO A 74 12.384 8.229 -7.086 1.00 51.13 N ATOM 1051 CA PRO A 74 12.584 7.312 -8.207 1.00 12.23 C ATOM 1052 C PRO A 74 12.923 5.881 -7.771 1.00 32.23 C ATOM 1053 O PRO A 74 12.674 4.946 -8.531 1.00 3.32 O ATOM 1054 CB PRO A 74 13.698 7.922 -9.064 1.00 3.33 C ATOM 1055 CG PRO A 74 14.444 8.835 -8.096 1.00 73.53 C ATOM 1056 CD PRO A 74 13.348 9.321 -7.151 1.00 3.22 C ATOM 0 HA PRO A 74 11.656 7.206 -8.769 1.00 12.23 H new ATOM 0 HB2 PRO A 74 14.353 7.154 -9.474 1.00 3.33 H new ATOM 0 HB3 PRO A 74 13.293 8.480 -9.908 1.00 3.33 H new ATOM 0 HG2 PRO A 74 15.227 8.298 -7.561 1.00 73.53 H new ATOM 0 HG3 PRO A 74 14.924 9.665 -8.615 1.00 73.53 H new ATOM 0 HD2 PRO A 74 13.752 9.549 -6.164 1.00 3.22 H new ATOM 0 HD3 PRO A 74 12.884 10.234 -7.524 1.00 3.22 H new ATOM 1061 N ASP A 75 13.476 5.666 -6.571 1.00 4.21 N ATOM 1062 CA ASP A 75 13.679 4.310 -6.047 1.00 52.21 C ATOM 1063 C ASP A 75 12.338 3.716 -5.607 1.00 71.55 C ATOM 1064 O ASP A 75 12.166 2.496 -5.630 1.00 50.54 O ATOM 1065 CB ASP A 75 14.642 4.287 -4.844 1.00 62.21 C ATOM 1066 CG ASP A 75 16.123 4.397 -5.189 1.00 30.14 C ATOM 1067 OD1 ASP A 75 16.550 3.934 -6.267 1.00 42.24 O ATOM 1068 OD2 ASP A 75 16.903 4.830 -4.311 1.00 41.34 O ATOM 0 H ASP A 75 13.789 6.410 -5.947 1.00 4.21 H new ATOM 0 HA ASP A 75 14.119 3.721 -6.851 1.00 52.21 H new ATOM 0 HB2 ASP A 75 14.380 5.107 -4.175 1.00 62.21 H new ATOM 0 HB3 ASP A 75 14.483 3.361 -4.291 1.00 62.21 H new ATOM 1072 N LEU A 76 11.399 4.558 -5.171 1.00 14.32 N ATOM 1073 CA LEU A 76 10.070 4.166 -4.739 1.00 40.55 C ATOM 1074 C LEU A 76 9.243 3.855 -5.987 1.00 53.24 C ATOM 1075 O LEU A 76 8.859 2.705 -6.160 1.00 32.43 O ATOM 1076 CB LEU A 76 9.437 5.243 -3.826 1.00 41.34 C ATOM 1077 CG LEU A 76 10.174 5.434 -2.476 1.00 64.11 C ATOM 1078 CD1 LEU A 76 9.793 6.771 -1.835 1.00 40.21 C ATOM 1079 CD2 LEU A 76 9.868 4.337 -1.450 1.00 31.11 C ATOM 0 H LEU A 76 11.555 5.564 -5.110 1.00 14.32 H new ATOM 0 HA LEU A 76 10.110 3.268 -4.122 1.00 40.55 H new ATOM 0 HB2 LEU A 76 9.423 6.194 -4.359 1.00 41.34 H new ATOM 0 HB3 LEU A 76 8.400 4.973 -3.627 1.00 41.34 H new ATOM 0 HG LEU A 76 11.234 5.394 -2.725 1.00 64.11 H new ATOM 0 HD11 LEU A 76 10.322 6.884 -0.889 1.00 40.21 H new ATOM 0 HD12 LEU A 76 10.067 7.587 -2.504 1.00 40.21 H new ATOM 0 HD13 LEU A 76 8.718 6.795 -1.655 1.00 40.21 H new ATOM 0 HD21 LEU A 76 10.418 4.536 -0.530 1.00 31.11 H new ATOM 0 HD22 LEU A 76 8.799 4.325 -1.238 1.00 31.11 H new ATOM 0 HD23 LEU A 76 10.169 3.369 -1.851 1.00 31.11 H new ATOM 1090 N ASP A 77 8.978 4.825 -6.867 1.00 63.45 N ATOM 1091 CA ASP A 77 8.146 4.659 -8.073 1.00 61.43 C ATOM 1092 C ASP A 77 8.581 3.440 -8.900 1.00 74.01 C ATOM 1093 O ASP A 77 7.744 2.625 -9.292 1.00 25.33 O ATOM 1094 CB ASP A 77 8.195 5.941 -8.916 1.00 45.25 C ATOM 1095 CG ASP A 77 7.448 5.787 -10.242 1.00 63.55 C ATOM 1096 OD1 ASP A 77 6.195 5.832 -10.249 1.00 11.12 O ATOM 1097 OD2 ASP A 77 8.111 5.689 -11.300 1.00 11.04 O ATOM 0 H ASP A 77 9.343 5.772 -6.762 1.00 63.45 H new ATOM 0 HA ASP A 77 7.118 4.479 -7.758 1.00 61.43 H new ATOM 0 HB2 ASP A 77 7.760 6.764 -8.349 1.00 45.25 H new ATOM 0 HB3 ASP A 77 9.234 6.204 -9.114 1.00 45.25 H new ATOM 1101 N ALA A 78 9.893 3.248 -9.084 1.00 1.34 N ATOM 1102 CA ALA A 78 10.426 2.101 -9.812 1.00 45.43 C ATOM 1103 C ALA A 78 10.081 0.756 -9.162 1.00 54.14 C ATOM 1104 O ALA A 78 10.059 -0.257 -9.858 1.00 54.11 O ATOM 1105 CB ALA A 78 11.944 2.228 -9.926 1.00 42.51 C ATOM 0 H ALA A 78 10.609 3.884 -8.732 1.00 1.34 H new ATOM 0 HA ALA A 78 9.958 2.110 -10.796 1.00 45.43 H new ATOM 0 HB1 ALA A 78 12.341 1.371 -10.470 1.00 42.51 H new ATOM 0 HB2 ALA A 78 12.193 3.144 -10.461 1.00 42.51 H new ATOM 0 HB3 ALA A 78 12.382 2.260 -8.929 1.00 42.51 H new ATOM 1111 N TYR A 79 9.810 0.695 -7.853 1.00 63.02 N ATOM 1112 CA TYR A 79 9.330 -0.535 -7.227 1.00 25.34 C ATOM 1113 C TYR A 79 7.979 -0.912 -7.827 1.00 54.12 C ATOM 1114 O TYR A 79 7.782 -2.045 -8.264 1.00 65.14 O ATOM 1115 CB TYR A 79 9.167 -0.394 -5.709 1.00 2.44 C ATOM 1116 CG TYR A 79 9.028 -1.736 -5.027 1.00 2.33 C ATOM 1117 CD1 TYR A 79 10.172 -2.477 -4.676 1.00 1.20 C ATOM 1118 CD2 TYR A 79 7.748 -2.283 -4.830 1.00 12.20 C ATOM 1119 CE1 TYR A 79 10.043 -3.780 -4.170 1.00 12.12 C ATOM 1120 CE2 TYR A 79 7.618 -3.596 -4.347 1.00 44.12 C ATOM 1121 CZ TYR A 79 8.766 -4.362 -4.037 1.00 70.21 C ATOM 1122 OH TYR A 79 8.663 -5.662 -3.644 1.00 40.43 O ATOM 0 H TYR A 79 9.915 1.481 -7.212 1.00 63.02 H new ATOM 0 HA TYR A 79 10.076 -1.307 -7.416 1.00 25.34 H new ATOM 0 HB2 TYR A 79 10.029 0.133 -5.299 1.00 2.44 H new ATOM 0 HB3 TYR A 79 8.289 0.215 -5.494 1.00 2.44 H new ATOM 0 HD1 TYR A 79 11.153 -2.041 -4.796 1.00 1.20 H new ATOM 0 HD2 TYR A 79 6.868 -1.696 -5.049 1.00 12.20 H new ATOM 0 HE1 TYR A 79 10.923 -4.337 -3.882 1.00 12.12 H new ATOM 0 HE2 TYR A 79 6.635 -4.023 -4.212 1.00 44.12 H new ATOM 0 HH TYR A 79 7.718 -5.916 -3.598 1.00 40.43 H new ATOM 1131 N ALA A 80 7.040 0.040 -7.836 1.00 65.23 N ATOM 1132 CA ALA A 80 5.686 -0.195 -8.301 1.00 62.04 C ATOM 1133 C ALA A 80 5.635 -0.412 -9.811 1.00 42.55 C ATOM 1134 O ALA A 80 4.645 -0.956 -10.305 1.00 25.10 O ATOM 1135 CB ALA A 80 4.780 0.963 -7.872 1.00 64.11 C ATOM 0 H ALA A 80 7.207 0.995 -7.518 1.00 65.23 H new ATOM 0 HA ALA A 80 5.321 -1.113 -7.841 1.00 62.04 H new ATOM 0 HB1 ALA A 80 3.765 0.780 -8.224 1.00 64.11 H new ATOM 0 HB2 ALA A 80 4.778 1.040 -6.785 1.00 64.11 H new ATOM 0 HB3 ALA A 80 5.151 1.894 -8.301 1.00 64.11 H new ATOM 1141 N GLU A 81 6.669 -0.029 -10.557 1.00 41.11 N ATOM 1142 CA GLU A 81 6.815 -0.448 -11.938 1.00 45.12 C ATOM 1143 C GLU A 81 7.369 -1.865 -11.997 1.00 45.52 C ATOM 1144 O GLU A 81 6.812 -2.708 -12.704 1.00 44.44 O ATOM 1145 CB GLU A 81 7.705 0.517 -12.715 1.00 33.43 C ATOM 1146 CG GLU A 81 7.068 1.900 -12.877 1.00 12.33 C ATOM 1147 CD GLU A 81 7.710 2.673 -14.029 1.00 1.52 C ATOM 1148 OE1 GLU A 81 8.947 2.853 -14.015 1.00 42.15 O ATOM 1149 OE2 GLU A 81 6.994 2.966 -15.016 1.00 52.44 O ATOM 0 H GLU A 81 7.419 0.574 -10.220 1.00 41.11 H new ATOM 0 HA GLU A 81 5.831 -0.437 -12.407 1.00 45.12 H new ATOM 0 HB2 GLU A 81 8.661 0.619 -12.201 1.00 33.43 H new ATOM 0 HB3 GLU A 81 7.915 0.100 -13.700 1.00 33.43 H new ATOM 0 HG2 GLU A 81 5.999 1.792 -13.060 1.00 12.33 H new ATOM 0 HG3 GLU A 81 7.178 2.465 -11.951 1.00 12.33 H new ATOM 1154 N ARG A 82 8.461 -2.140 -11.276 1.00 32.32 N ATOM 1155 CA ARG A 82 9.143 -3.424 -11.330 1.00 21.00 C ATOM 1156 C ARG A 82 8.192 -4.534 -10.948 1.00 64.05 C ATOM 1157 O ARG A 82 8.075 -5.477 -11.715 1.00 72.31 O ATOM 1158 CB ARG A 82 10.393 -3.439 -10.430 1.00 74.12 C ATOM 1159 CG ARG A 82 11.067 -4.828 -10.373 1.00 22.11 C ATOM 1160 CD ARG A 82 12.005 -4.957 -9.170 1.00 63.01 C ATOM 1161 NE ARG A 82 12.060 -6.353 -8.688 1.00 13.12 N ATOM 1162 CZ ARG A 82 13.016 -6.915 -7.941 1.00 41.23 C ATOM 1163 NH1 ARG A 82 14.096 -6.246 -7.561 1.00 1.21 N ATOM 1164 NH2 ARG A 82 12.895 -8.175 -7.561 1.00 45.41 N ATOM 0 H ARG A 82 8.893 -1.471 -10.638 1.00 32.32 H new ATOM 0 HA ARG A 82 9.479 -3.586 -12.354 1.00 21.00 H new ATOM 0 HB2 ARG A 82 11.110 -2.706 -10.799 1.00 74.12 H new ATOM 0 HB3 ARG A 82 10.114 -3.133 -9.422 1.00 74.12 H new ATOM 0 HG2 ARG A 82 10.301 -5.602 -10.321 1.00 22.11 H new ATOM 0 HG3 ARG A 82 11.629 -4.997 -11.292 1.00 22.11 H new ATOM 0 HD2 ARG A 82 13.005 -4.625 -9.447 1.00 63.01 H new ATOM 0 HD3 ARG A 82 11.664 -4.304 -8.367 1.00 63.01 H new ATOM 0 HE ARG A 82 11.281 -6.955 -8.955 1.00 13.12 H new ATOM 0 HH11 ARG A 82 14.216 -5.272 -7.839 1.00 1.21 H new ATOM 0 HH12 ARG A 82 14.806 -6.705 -6.991 1.00 1.21 H new ATOM 0 HH21 ARG A 82 12.075 -8.715 -7.838 1.00 45.41 H new ATOM 0 HH22 ARG A 82 13.622 -8.608 -6.991 1.00 45.41 H new ATOM 1175 N ALA A 83 7.574 -4.470 -9.768 1.00 12.52 N ATOM 1176 CA ALA A 83 6.806 -5.578 -9.212 1.00 70.24 C ATOM 1177 C ALA A 83 5.737 -6.033 -10.212 1.00 30.42 C ATOM 1178 O ALA A 83 5.553 -7.228 -10.453 1.00 64.24 O ATOM 1179 CB ALA A 83 6.212 -5.150 -7.865 1.00 50.43 C ATOM 0 H ALA A 83 7.594 -3.643 -9.171 1.00 12.52 H new ATOM 0 HA ALA A 83 7.452 -6.437 -9.033 1.00 70.24 H new ATOM 0 HB1 ALA A 83 5.636 -5.974 -7.443 1.00 50.43 H new ATOM 0 HB2 ALA A 83 7.017 -4.882 -7.181 1.00 50.43 H new ATOM 0 HB3 ALA A 83 5.560 -4.289 -8.012 1.00 50.43 H new ATOM 1185 N ALA A 84 5.114 -5.071 -10.896 1.00 31.42 N ATOM 1186 CA ALA A 84 4.085 -5.317 -11.888 1.00 1.10 C ATOM 1187 C ALA A 84 4.585 -6.028 -13.161 1.00 41.22 C ATOM 1188 O ALA A 84 3.750 -6.360 -14.005 1.00 51.44 O ATOM 1189 CB ALA A 84 3.405 -3.989 -12.243 1.00 1.40 C ATOM 0 H ALA A 84 5.321 -4.081 -10.767 1.00 31.42 H new ATOM 0 HA ALA A 84 3.373 -6.009 -11.438 1.00 1.10 H new ATOM 0 HB1 ALA A 84 2.630 -4.165 -12.989 1.00 1.40 H new ATOM 0 HB2 ALA A 84 2.956 -3.559 -11.347 1.00 1.40 H new ATOM 0 HB3 ALA A 84 4.145 -3.297 -12.646 1.00 1.40 H new ATOM 1195 N ARG A 85 5.892 -6.290 -13.327 1.00 51.42 N ATOM 1196 CA ARG A 85 6.443 -7.046 -14.461 1.00 24.31 C ATOM 1197 C ARG A 85 6.704 -8.523 -14.127 1.00 70.24 C ATOM 1198 O ARG A 85 7.172 -9.279 -14.983 1.00 72.02 O ATOM 1199 CB ARG A 85 7.590 -6.276 -15.147 1.00 41.13 C ATOM 1200 CG ARG A 85 8.950 -6.710 -14.626 1.00 1.52 C ATOM 1201 CD ARG A 85 10.082 -5.702 -14.903 1.00 24.34 C ATOM 1202 NE ARG A 85 11.269 -6.364 -15.478 1.00 34.24 N ATOM 1203 CZ ARG A 85 12.526 -5.908 -15.518 1.00 21.20 C ATOM 1204 NH1 ARG A 85 12.874 -4.757 -14.963 1.00 41.22 N ATOM 1205 NH2 ARG A 85 13.486 -6.616 -16.103 1.00 64.31 N ATOM 0 H ARG A 85 6.604 -5.978 -12.667 1.00 51.42 H new ATOM 0 HA ARG A 85 5.678 -7.120 -15.234 1.00 24.31 H new ATOM 0 HB2 ARG A 85 7.544 -6.439 -16.224 1.00 41.13 H new ATOM 0 HB3 ARG A 85 7.461 -5.207 -14.980 1.00 41.13 H new ATOM 0 HG2 ARG A 85 8.880 -6.874 -13.551 1.00 1.52 H new ATOM 0 HG3 ARG A 85 9.212 -7.667 -15.078 1.00 1.52 H new ATOM 0 HD2 ARG A 85 9.726 -4.933 -15.588 1.00 24.34 H new ATOM 0 HD3 ARG A 85 10.358 -5.200 -13.976 1.00 24.34 H new ATOM 0 HE ARG A 85 11.112 -7.281 -15.896 1.00 34.24 H new ATOM 0 HH11 ARG A 85 12.174 -4.188 -14.486 1.00 41.22 H new ATOM 0 HH12 ARG A 85 13.842 -4.439 -15.012 1.00 41.22 H new ATOM 0 HH21 ARG A 85 13.268 -7.517 -16.528 1.00 64.31 H new ATOM 0 HH22 ARG A 85 14.441 -6.258 -16.127 1.00 64.31 H new ATOM 1216 N ILE A 86 6.439 -8.947 -12.891 1.00 50.55 N ATOM 1217 CA ILE A 86 6.486 -10.344 -12.456 1.00 65.01 C ATOM 1218 C ILE A 86 5.095 -10.736 -11.956 1.00 74.25 C ATOM 1219 O ILE A 86 4.677 -11.884 -12.114 1.00 52.53 O ATOM 1220 CB ILE A 86 7.550 -10.589 -11.348 1.00 74.04 C ATOM 1221 CG1 ILE A 86 8.880 -9.830 -11.548 1.00 1.14 C ATOM 1222 CG2 ILE A 86 7.877 -12.091 -11.263 1.00 11.30 C ATOM 1223 CD1 ILE A 86 8.879 -8.448 -10.891 1.00 13.42 C ATOM 0 H ILE A 86 6.177 -8.307 -12.141 1.00 50.55 H new ATOM 0 HA ILE A 86 6.781 -10.962 -13.304 1.00 65.01 H new ATOM 0 HB ILE A 86 7.097 -10.209 -10.433 1.00 74.04 H new ATOM 0 HG12 ILE A 86 9.697 -10.423 -11.136 1.00 1.14 H new ATOM 0 HG13 ILE A 86 9.073 -9.720 -12.615 1.00 1.14 H new ATOM 0 HG21 ILE A 86 8.623 -12.258 -10.486 1.00 11.30 H new ATOM 0 HG22 ILE A 86 6.971 -12.648 -11.022 1.00 11.30 H new ATOM 0 HG23 ILE A 86 8.269 -12.433 -12.221 1.00 11.30 H new ATOM 0 HD11 ILE A 86 9.839 -7.962 -11.065 1.00 13.42 H new ATOM 0 HD12 ILE A 86 8.082 -7.841 -11.321 1.00 13.42 H new ATOM 0 HD13 ILE A 86 8.715 -8.555 -9.819 1.00 13.42 H new ATOM 1234 N ASP A 87 4.381 -9.799 -11.333 1.00 71.12 N ATOM 1235 CA ASP A 87 3.164 -10.042 -10.581 1.00 62.25 C ATOM 1236 C ASP A 87 2.002 -9.377 -11.313 1.00 62.32 C ATOM 1237 O ASP A 87 1.678 -8.223 -11.020 1.00 64.31 O ATOM 1238 CB ASP A 87 3.326 -9.565 -9.131 1.00 14.23 C ATOM 1239 CG ASP A 87 4.355 -10.413 -8.394 1.00 73.44 C ATOM 1240 OD1 ASP A 87 4.051 -11.596 -8.113 1.00 53.34 O ATOM 1241 OD2 ASP A 87 5.475 -9.927 -8.124 1.00 22.21 O ATOM 0 H ASP A 87 4.650 -8.815 -11.342 1.00 71.12 H new ATOM 0 HA ASP A 87 2.951 -11.109 -10.519 1.00 62.25 H new ATOM 0 HB2 ASP A 87 3.634 -8.520 -9.120 1.00 14.23 H new ATOM 0 HB3 ASP A 87 2.367 -9.620 -8.616 1.00 14.23 H new ATOM 1245 N PRO A 88 1.373 -10.046 -12.297 1.00 13.51 N ATOM 1246 CA PRO A 88 0.171 -9.522 -12.950 1.00 23.40 C ATOM 1247 C PRO A 88 -1.002 -9.403 -11.968 1.00 10.43 C ATOM 1248 O PRO A 88 -1.967 -8.683 -12.234 1.00 71.15 O ATOM 1249 CB PRO A 88 -0.138 -10.501 -14.081 1.00 22.12 C ATOM 1250 CG PRO A 88 0.430 -11.820 -13.569 1.00 12.52 C ATOM 1251 CD PRO A 88 1.663 -11.387 -12.785 1.00 41.12 C ATOM 0 HA PRO A 88 0.331 -8.512 -13.328 1.00 23.40 H new ATOM 0 HB2 PRO A 88 -1.209 -10.571 -14.271 1.00 22.12 H new ATOM 0 HB3 PRO A 88 0.332 -10.197 -15.016 1.00 22.12 H new ATOM 0 HG2 PRO A 88 -0.284 -12.348 -12.937 1.00 12.52 H new ATOM 0 HG3 PRO A 88 0.689 -12.492 -14.387 1.00 12.52 H new ATOM 0 HD2 PRO A 88 1.860 -12.070 -11.958 1.00 41.12 H new ATOM 0 HD3 PRO A 88 2.550 -11.389 -13.419 1.00 41.12 H new ATOM 1256 N ASP A 89 -0.896 -10.077 -10.822 1.00 61.12 N ATOM 1257 CA ASP A 89 -1.915 -10.207 -9.795 1.00 33.03 C ATOM 1258 C ASP A 89 -1.548 -9.361 -8.575 1.00 61.41 C ATOM 1259 O ASP A 89 -1.905 -9.715 -7.449 1.00 22.34 O ATOM 1260 CB ASP A 89 -2.133 -11.692 -9.458 1.00 42.43 C ATOM 1261 CG ASP A 89 -3.137 -12.294 -10.426 1.00 32.40 C ATOM 1262 OD1 ASP A 89 -4.347 -12.164 -10.159 1.00 22.33 O ATOM 1263 OD2 ASP A 89 -2.710 -12.831 -11.475 1.00 11.22 O ATOM 0 H ASP A 89 -0.041 -10.576 -10.577 1.00 61.12 H new ATOM 0 HA ASP A 89 -2.866 -9.823 -10.164 1.00 33.03 H new ATOM 0 HB2 ASP A 89 -1.188 -12.231 -9.518 1.00 42.43 H new ATOM 0 HB3 ASP A 89 -2.494 -11.794 -8.435 1.00 42.43 H new ATOM 1267 N ILE A 90 -0.792 -8.272 -8.746 1.00 10.30 N ATOM 1268 CA ILE A 90 -0.527 -7.338 -7.658 1.00 71.45 C ATOM 1269 C ILE A 90 -1.603 -6.254 -7.622 1.00 0.51 C ATOM 1270 O ILE A 90 -2.202 -5.916 -8.648 1.00 41.44 O ATOM 1271 CB ILE A 90 0.903 -6.788 -7.797 1.00 73.23 C ATOM 1272 CG1 ILE A 90 1.471 -6.309 -6.447 1.00 63.31 C ATOM 1273 CG2 ILE A 90 1.071 -5.730 -8.905 1.00 50.15 C ATOM 1274 CD1 ILE A 90 2.991 -6.121 -6.498 1.00 0.53 C ATOM 0 H ILE A 90 -0.354 -8.019 -9.632 1.00 10.30 H new ATOM 0 HA ILE A 90 -0.579 -7.844 -6.694 1.00 71.45 H new ATOM 0 HB ILE A 90 1.503 -7.637 -8.125 1.00 73.23 H new ATOM 0 HG12 ILE A 90 0.998 -5.367 -6.169 1.00 63.31 H new ATOM 0 HG13 ILE A 90 1.221 -7.033 -5.671 1.00 63.31 H new ATOM 0 HG21 ILE A 90 2.108 -5.396 -8.935 1.00 50.15 H new ATOM 0 HG22 ILE A 90 0.802 -6.165 -9.868 1.00 50.15 H new ATOM 0 HG23 ILE A 90 0.422 -4.880 -8.697 1.00 50.15 H new ATOM 0 HD11 ILE A 90 3.349 -5.783 -5.525 1.00 0.53 H new ATOM 0 HD12 ILE A 90 3.467 -7.069 -6.750 1.00 0.53 H new ATOM 0 HD13 ILE A 90 3.240 -5.377 -7.255 1.00 0.53 H new ATOM 1285 N TRP A 91 -1.818 -5.672 -6.447 1.00 24.13 N ATOM 1286 CA TRP A 91 -2.652 -4.503 -6.256 1.00 55.15 C ATOM 1287 C TRP A 91 -1.741 -3.283 -6.079 1.00 52.31 C ATOM 1288 O TRP A 91 -0.632 -3.400 -5.563 1.00 21.02 O ATOM 1289 CB TRP A 91 -3.536 -4.775 -5.040 1.00 44.52 C ATOM 1290 CG TRP A 91 -4.660 -5.739 -5.240 1.00 44.25 C ATOM 1291 CD1 TRP A 91 -4.540 -7.085 -5.314 1.00 53.45 C ATOM 1292 CD2 TRP A 91 -6.082 -5.461 -5.345 1.00 15.53 C ATOM 1293 NE1 TRP A 91 -5.789 -7.653 -5.421 1.00 21.43 N ATOM 1294 CE2 TRP A 91 -6.776 -6.693 -5.519 1.00 75.02 C ATOM 1295 CE3 TRP A 91 -6.847 -4.279 -5.330 1.00 3.24 C ATOM 1296 CZ2 TRP A 91 -8.160 -6.734 -5.740 1.00 31.24 C ATOM 1297 CZ3 TRP A 91 -8.243 -4.311 -5.507 1.00 32.21 C ATOM 1298 CH2 TRP A 91 -8.894 -5.535 -5.733 1.00 64.35 C ATOM 0 H TRP A 91 -1.403 -6.014 -5.580 1.00 24.13 H new ATOM 0 HA TRP A 91 -3.299 -4.296 -7.109 1.00 55.15 H new ATOM 0 HB2 TRP A 91 -2.904 -5.149 -4.235 1.00 44.52 H new ATOM 0 HB3 TRP A 91 -3.955 -3.827 -4.703 1.00 44.52 H new ATOM 0 HD1 TRP A 91 -3.608 -7.630 -5.292 1.00 53.45 H new ATOM 0 HE1 TRP A 91 -5.964 -8.658 -5.427 1.00 21.43 H new ATOM 0 HE3 TRP A 91 -6.353 -3.330 -5.180 1.00 3.24 H new ATOM 0 HZ2 TRP A 91 -8.657 -7.677 -5.914 1.00 31.24 H new ATOM 0 HZ3 TRP A 91 -8.813 -3.395 -5.469 1.00 32.21 H new ATOM 0 HH2 TRP A 91 -9.961 -5.555 -5.902 1.00 64.35 H new ATOM 1308 N VAL A 92 -2.204 -2.098 -6.467 1.00 55.32 N ATOM 1309 CA VAL A 92 -1.466 -0.840 -6.334 1.00 75.12 C ATOM 1310 C VAL A 92 -2.479 0.156 -5.799 1.00 64.32 C ATOM 1311 O VAL A 92 -3.562 0.286 -6.374 1.00 75.02 O ATOM 1312 CB VAL A 92 -0.873 -0.409 -7.688 1.00 31.24 C ATOM 1313 CG1 VAL A 92 -0.239 0.985 -7.701 1.00 63.02 C ATOM 1314 CG2 VAL A 92 0.183 -1.405 -8.205 1.00 22.02 C ATOM 0 H VAL A 92 -3.123 -1.980 -6.893 1.00 55.32 H new ATOM 0 HA VAL A 92 -0.612 -0.924 -5.662 1.00 75.12 H new ATOM 0 HB VAL A 92 -1.745 -0.389 -8.342 1.00 31.24 H new ATOM 0 HG11 VAL A 92 0.150 1.198 -8.697 1.00 63.02 H new ATOM 0 HG12 VAL A 92 -0.991 1.729 -7.438 1.00 63.02 H new ATOM 0 HG13 VAL A 92 0.576 1.021 -6.978 1.00 63.02 H new ATOM 0 HG21 VAL A 92 0.572 -1.058 -9.162 1.00 22.02 H new ATOM 0 HG22 VAL A 92 0.999 -1.476 -7.486 1.00 22.02 H new ATOM 0 HG23 VAL A 92 -0.274 -2.386 -8.333 1.00 22.02 H new ATOM 1324 N VAL A 93 -2.171 0.774 -4.665 1.00 2.24 N ATOM 1325 CA VAL A 93 -3.127 1.455 -3.816 1.00 43.55 C ATOM 1326 C VAL A 93 -2.428 2.741 -3.358 1.00 63.42 C ATOM 1327 O VAL A 93 -1.611 2.722 -2.438 1.00 20.23 O ATOM 1328 CB VAL A 93 -3.549 0.481 -2.684 1.00 33.32 C ATOM 1329 CG1 VAL A 93 -4.680 1.048 -1.830 1.00 34.22 C ATOM 1330 CG2 VAL A 93 -4.047 -0.883 -3.204 1.00 60.13 C ATOM 0 H VAL A 93 -1.218 0.813 -4.304 1.00 2.24 H new ATOM 0 HA VAL A 93 -4.059 1.741 -4.304 1.00 43.55 H new ATOM 0 HB VAL A 93 -2.638 0.349 -2.101 1.00 33.32 H new ATOM 0 HG11 VAL A 93 -4.942 0.332 -1.051 1.00 34.22 H new ATOM 0 HG12 VAL A 93 -4.356 1.982 -1.370 1.00 34.22 H new ATOM 0 HG13 VAL A 93 -5.551 1.236 -2.458 1.00 34.22 H new ATOM 0 HG21 VAL A 93 -4.325 -1.514 -2.360 1.00 60.13 H new ATOM 0 HG22 VAL A 93 -4.915 -0.733 -3.847 1.00 60.13 H new ATOM 0 HG23 VAL A 93 -3.253 -1.367 -3.773 1.00 60.13 H new ATOM 1340 N GLU A 94 -2.665 3.844 -4.070 1.00 31.10 N ATOM 1341 CA GLU A 94 -1.964 5.120 -3.862 1.00 31.30 C ATOM 1342 C GLU A 94 -2.850 6.011 -2.981 1.00 61.34 C ATOM 1343 O GLU A 94 -4.050 6.109 -3.285 1.00 54.21 O ATOM 1344 CB GLU A 94 -1.739 5.803 -5.222 1.00 43.44 C ATOM 1345 CG GLU A 94 -0.967 4.986 -6.266 1.00 22.24 C ATOM 1346 CD GLU A 94 0.490 4.701 -5.922 1.00 15.41 C ATOM 1347 OE1 GLU A 94 1.156 5.596 -5.363 1.00 63.43 O ATOM 1348 OE2 GLU A 94 0.967 3.612 -6.309 1.00 53.15 O ATOM 0 H GLU A 94 -3.358 3.881 -4.818 1.00 31.10 H new ATOM 0 HA GLU A 94 -0.999 4.953 -3.382 1.00 31.30 H new ATOM 0 HB2 GLU A 94 -2.711 6.064 -5.640 1.00 43.44 H new ATOM 0 HB3 GLU A 94 -1.204 6.737 -5.053 1.00 43.44 H new ATOM 0 HG2 GLU A 94 -1.481 4.036 -6.413 1.00 22.24 H new ATOM 0 HG3 GLU A 94 -1.001 5.517 -7.217 1.00 22.24 H new ATOM 1353 N ILE A 95 -2.331 6.595 -1.891 1.00 1.40 N ATOM 1354 CA ILE A 95 -3.071 7.493 -1.002 1.00 3.41 C ATOM 1355 C ILE A 95 -2.306 8.807 -0.910 1.00 15.42 C ATOM 1356 O ILE A 95 -1.124 8.838 -0.557 1.00 73.13 O ATOM 1357 CB ILE A 95 -3.294 6.919 0.428 1.00 21.01 C ATOM 1358 CG1 ILE A 95 -4.079 5.593 0.471 1.00 12.13 C ATOM 1359 CG2 ILE A 95 -4.112 7.886 1.315 1.00 52.12 C ATOM 1360 CD1 ILE A 95 -3.250 4.389 0.061 1.00 12.31 C ATOM 0 H ILE A 95 -1.364 6.451 -1.600 1.00 1.40 H new ATOM 0 HA ILE A 95 -4.064 7.630 -1.429 1.00 3.41 H new ATOM 0 HB ILE A 95 -2.277 6.767 0.788 1.00 21.01 H new ATOM 0 HG12 ILE A 95 -4.459 5.437 1.481 1.00 12.13 H new ATOM 0 HG13 ILE A 95 -4.945 5.670 -0.187 1.00 12.13 H new ATOM 0 HG21 ILE A 95 -4.245 7.448 2.304 1.00 52.12 H new ATOM 0 HG22 ILE A 95 -3.581 8.833 1.406 1.00 52.12 H new ATOM 0 HG23 ILE A 95 -5.088 8.059 0.861 1.00 52.12 H new ATOM 0 HD11 ILE A 95 -3.864 3.490 0.114 1.00 12.31 H new ATOM 0 HD12 ILE A 95 -2.892 4.524 -0.959 1.00 12.31 H new ATOM 0 HD13 ILE A 95 -2.399 4.287 0.734 1.00 12.31 H new ATOM 1371 N GLU A 96 -3.015 9.904 -1.135 1.00 0.20 N ATOM 1372 CA GLU A 96 -2.468 11.237 -1.232 1.00 41.31 C ATOM 1373 C GLU A 96 -2.934 12.038 -0.036 1.00 64.35 C ATOM 1374 O GLU A 96 -4.137 12.259 0.146 1.00 4.30 O ATOM 1375 CB GLU A 96 -3.002 11.884 -2.497 1.00 22.42 C ATOM 1376 CG GLU A 96 -2.216 11.517 -3.747 1.00 73.13 C ATOM 1377 CD GLU A 96 -1.831 10.057 -3.916 1.00 34.23 C ATOM 1378 OE1 GLU A 96 -2.736 9.235 -4.192 1.00 22.20 O ATOM 1379 OE2 GLU A 96 -0.610 9.802 -3.937 1.00 34.40 O ATOM 0 H GLU A 96 -4.027 9.882 -1.259 1.00 0.20 H new ATOM 0 HA GLU A 96 -1.379 11.203 -1.257 1.00 41.31 H new ATOM 0 HB2 GLU A 96 -4.043 11.591 -2.633 1.00 22.42 H new ATOM 0 HB3 GLU A 96 -2.989 12.967 -2.375 1.00 22.42 H new ATOM 0 HG2 GLU A 96 -2.803 11.815 -4.616 1.00 73.13 H new ATOM 0 HG3 GLU A 96 -1.303 12.112 -3.760 1.00 73.13 H new ATOM 1384 N ASP A 97 -1.993 12.493 0.781 1.00 21.33 N ATOM 1385 CA ASP A 97 -2.316 13.221 2.000 1.00 42.23 C ATOM 1386 C ASP A 97 -1.211 14.187 2.409 1.00 52.22 C ATOM 1387 O ASP A 97 -0.040 13.990 2.095 1.00 52.01 O ATOM 1388 CB ASP A 97 -2.601 12.233 3.138 1.00 12.20 C ATOM 1389 CG ASP A 97 -3.217 12.950 4.337 1.00 15.14 C ATOM 1390 OD1 ASP A 97 -4.434 13.241 4.302 1.00 22.14 O ATOM 1391 OD2 ASP A 97 -2.493 13.236 5.316 1.00 24.11 O ATOM 0 H ASP A 97 -0.994 12.369 0.619 1.00 21.33 H new ATOM 0 HA ASP A 97 -3.206 13.817 1.798 1.00 42.23 H new ATOM 0 HB2 ASP A 97 -3.278 11.453 2.788 1.00 12.20 H new ATOM 0 HB3 ASP A 97 -1.676 11.741 3.439 1.00 12.20 H new ATOM 1395 N ARG A 98 -1.578 15.212 3.179 1.00 53.44 N ATOM 1396 CA ARG A 98 -0.643 16.062 3.905 1.00 42.34 C ATOM 1397 C ARG A 98 0.437 15.265 4.621 1.00 13.13 C ATOM 1398 O ARG A 98 1.590 15.611 4.449 1.00 2.12 O ATOM 1399 CB ARG A 98 -1.374 17.105 4.749 1.00 14.00 C ATOM 1400 CG ARG A 98 -2.392 16.502 5.701 1.00 72.12 C ATOM 1401 CD ARG A 98 -2.955 17.542 6.679 1.00 62.43 C ATOM 1402 NE ARG A 98 -3.519 18.705 5.969 1.00 62.31 N ATOM 1403 CZ ARG A 98 -4.791 18.867 5.591 1.00 23.22 C ATOM 1404 NH1 ARG A 98 -5.755 18.072 6.037 1.00 52.04 N ATOM 1405 NH2 ARG A 98 -5.112 19.830 4.745 1.00 3.22 N ATOM 0 H ARG A 98 -2.553 15.477 3.316 1.00 53.44 H new ATOM 0 HA ARG A 98 -0.077 16.648 3.181 1.00 42.34 H new ATOM 0 HB2 ARG A 98 -0.643 17.675 5.323 1.00 14.00 H new ATOM 0 HB3 ARG A 98 -1.878 17.809 4.087 1.00 14.00 H new ATOM 0 HG2 ARG A 98 -3.209 16.065 5.128 1.00 72.12 H new ATOM 0 HG3 ARG A 98 -1.927 15.692 6.262 1.00 72.12 H new ATOM 0 HD2 ARG A 98 -3.727 17.082 7.296 1.00 62.43 H new ATOM 0 HD3 ARG A 98 -2.165 17.874 7.353 1.00 62.43 H new ATOM 0 HE ARG A 98 -2.874 19.462 5.744 1.00 62.31 H new ATOM 0 HH11 ARG A 98 -5.533 17.315 6.684 1.00 52.04 H new ATOM 0 HH12 ARG A 98 -6.718 18.217 5.733 1.00 52.04 H new ATOM 0 HH21 ARG A 98 -4.389 20.450 4.380 1.00 3.22 H new ATOM 0 HH22 ARG A 98 -6.083 19.953 4.457 1.00 3.22 H new ATOM 1416 N ASP A 99 0.120 14.218 5.372 1.00 31.51 N ATOM 1417 CA ASP A 99 0.991 13.712 6.437 1.00 22.21 C ATOM 1418 C ASP A 99 1.477 12.285 6.160 1.00 63.54 C ATOM 1419 O ASP A 99 1.567 11.453 7.067 1.00 31.11 O ATOM 1420 CB ASP A 99 0.264 13.863 7.784 1.00 33.33 C ATOM 1421 CG ASP A 99 1.196 14.382 8.875 1.00 64.12 C ATOM 1422 OD1 ASP A 99 2.391 14.017 8.937 1.00 13.34 O ATOM 1423 OD2 ASP A 99 0.743 15.283 9.615 1.00 15.43 O ATOM 0 H ASP A 99 -0.747 13.692 5.264 1.00 31.51 H new ATOM 0 HA ASP A 99 1.904 14.306 6.475 1.00 22.21 H new ATOM 0 HB2 ASP A 99 -0.577 14.547 7.669 1.00 33.33 H new ATOM 0 HB3 ASP A 99 -0.147 12.900 8.085 1.00 33.33 H new ATOM 1427 N GLY A 100 1.707 11.972 4.877 1.00 44.14 N ATOM 1428 CA GLY A 100 2.207 10.685 4.390 1.00 51.15 C ATOM 1429 C GLY A 100 1.404 9.497 4.902 1.00 34.13 C ATOM 1430 O GLY A 100 1.962 8.430 5.178 1.00 34.32 O ATOM 0 H GLY A 100 1.542 12.638 4.122 1.00 44.14 H new ATOM 0 HA2 GLY A 100 2.189 10.685 3.300 1.00 51.15 H new ATOM 0 HA3 GLY A 100 3.248 10.569 4.692 1.00 51.15 H new ATOM 1434 N ARG A 101 0.101 9.687 5.119 1.00 12.33 N ATOM 1435 CA ARG A 101 -0.694 8.692 5.813 1.00 15.54 C ATOM 1436 C ARG A 101 -1.234 7.666 4.832 1.00 4.10 C ATOM 1437 O ARG A 101 -1.520 7.986 3.679 1.00 14.12 O ATOM 1438 CB ARG A 101 -1.723 9.344 6.733 1.00 23.20 C ATOM 1439 CG ARG A 101 -2.990 9.723 5.993 1.00 34.42 C ATOM 1440 CD ARG A 101 -3.973 10.456 6.906 1.00 75.25 C ATOM 1441 NE ARG A 101 -3.415 11.731 7.355 1.00 54.01 N ATOM 1442 CZ ARG A 101 -3.874 12.536 8.306 1.00 54.35 C ATOM 1443 NH1 ARG A 101 -4.755 12.086 9.192 1.00 75.11 N ATOM 1444 NH2 ARG A 101 -3.471 13.802 8.296 1.00 44.14 N ATOM 0 H ARG A 101 -0.416 10.516 4.824 1.00 12.33 H new ATOM 0 HA ARG A 101 -0.065 8.120 6.495 1.00 15.54 H new ATOM 0 HB2 ARG A 101 -1.969 8.659 7.544 1.00 23.20 H new ATOM 0 HB3 ARG A 101 -1.289 10.234 7.188 1.00 23.20 H new ATOM 0 HG2 ARG A 101 -2.740 10.357 5.142 1.00 34.42 H new ATOM 0 HG3 ARG A 101 -3.462 8.825 5.594 1.00 34.42 H new ATOM 0 HD2 ARG A 101 -4.908 10.631 6.375 1.00 75.25 H new ATOM 0 HD3 ARG A 101 -4.208 9.833 7.769 1.00 75.25 H new ATOM 0 HE ARG A 101 -2.568 12.040 6.878 1.00 54.01 H new ATOM 0 HH11 ARG A 101 -5.080 11.120 9.143 1.00 75.11 H new ATOM 0 HH12 ARG A 101 -5.106 12.706 9.922 1.00 75.11 H new ATOM 0 HH21 ARG A 101 -2.829 14.127 7.573 1.00 44.14 H new ATOM 0 HH22 ARG A 101 -3.803 14.449 9.011 1.00 44.14 H new ATOM 1455 N HIS A 102 -1.425 6.444 5.316 1.00 72.24 N ATOM 1456 CA HIS A 102 -1.844 5.302 4.514 1.00 14.34 C ATOM 1457 C HIS A 102 -3.171 4.721 4.996 1.00 63.05 C ATOM 1458 O HIS A 102 -3.686 3.832 4.333 1.00 42.24 O ATOM 1459 CB HIS A 102 -0.722 4.247 4.448 1.00 24.34 C ATOM 1460 CG HIS A 102 0.216 4.226 5.628 1.00 61.23 C ATOM 1461 ND1 HIS A 102 -0.039 3.717 6.884 1.00 11.14 N ATOM 1462 CD2 HIS A 102 1.485 4.736 5.633 1.00 73.44 C ATOM 1463 CE1 HIS A 102 1.059 3.913 7.629 1.00 40.24 C ATOM 1464 NE2 HIS A 102 2.015 4.525 6.909 1.00 42.43 N ATOM 0 H HIS A 102 -1.289 6.215 6.301 1.00 72.24 H new ATOM 0 HA HIS A 102 -2.025 5.649 3.497 1.00 14.34 H new ATOM 0 HB2 HIS A 102 -1.178 3.262 4.350 1.00 24.34 H new ATOM 0 HB3 HIS A 102 -0.138 4.419 3.544 1.00 24.34 H new ATOM 0 HD2 HIS A 102 1.985 5.214 4.804 1.00 73.44 H new ATOM 0 HE1 HIS A 102 1.161 3.620 8.663 1.00 40.24 H new ATOM 0 HE2 HIS A 102 2.947 4.785 7.231 1.00 42.43 H new ATOM 1471 N PHE A 103 -3.760 5.210 6.100 1.00 35.40 N ATOM 1472 CA PHE A 103 -5.086 4.813 6.605 1.00 64.21 C ATOM 1473 C PHE A 103 -5.241 3.302 6.928 1.00 31.44 C ATOM 1474 O PHE A 103 -6.334 2.856 7.294 1.00 20.23 O ATOM 1475 CB PHE A 103 -6.173 5.330 5.634 1.00 11.21 C ATOM 1476 CG PHE A 103 -6.519 6.804 5.736 1.00 31.12 C ATOM 1477 CD1 PHE A 103 -5.814 7.743 4.966 1.00 52.34 C ATOM 1478 CD2 PHE A 103 -7.607 7.233 6.519 1.00 61.21 C ATOM 1479 CE1 PHE A 103 -6.210 9.088 4.949 1.00 53.51 C ATOM 1480 CE2 PHE A 103 -7.985 8.589 6.533 1.00 34.43 C ATOM 1481 CZ PHE A 103 -7.285 9.520 5.744 1.00 1.12 C ATOM 0 H PHE A 103 -3.312 5.915 6.685 1.00 35.40 H new ATOM 0 HA PHE A 103 -5.210 5.285 7.580 1.00 64.21 H new ATOM 0 HB2 PHE A 103 -5.847 5.125 4.614 1.00 11.21 H new ATOM 0 HB3 PHE A 103 -7.083 4.753 5.800 1.00 11.21 H new ATOM 0 HD1 PHE A 103 -4.961 7.427 4.383 1.00 52.34 H new ATOM 0 HD2 PHE A 103 -8.156 6.517 7.113 1.00 61.21 H new ATOM 0 HE1 PHE A 103 -5.687 9.795 4.322 1.00 53.51 H new ATOM 0 HE2 PHE A 103 -8.811 8.914 7.148 1.00 34.43 H new ATOM 0 HZ PHE A 103 -7.572 10.561 5.749 1.00 1.12 H new ATOM 1490 N LEU A 104 -4.174 2.501 6.823 1.00 12.54 N ATOM 1491 CA LEU A 104 -4.177 1.050 6.994 1.00 53.13 C ATOM 1492 C LEU A 104 -4.436 0.682 8.454 1.00 41.14 C ATOM 1493 O LEU A 104 -3.814 1.231 9.365 1.00 35.32 O ATOM 1494 CB LEU A 104 -2.825 0.448 6.574 1.00 0.51 C ATOM 1495 CG LEU A 104 -2.433 0.586 5.098 1.00 14.32 C ATOM 1496 CD1 LEU A 104 -0.949 0.240 4.930 1.00 42.13 C ATOM 1497 CD2 LEU A 104 -3.302 -0.299 4.203 1.00 53.43 C ATOM 0 H LEU A 104 -3.246 2.866 6.607 1.00 12.54 H new ATOM 0 HA LEU A 104 -4.970 0.648 6.364 1.00 53.13 H new ATOM 0 HB2 LEU A 104 -2.045 0.912 7.177 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -2.833 -0.613 6.825 1.00 0.51 H new ATOM 0 HG LEU A 104 -2.599 1.618 4.789 1.00 14.32 H new ATOM 0 HD11 LEU A 104 -0.669 0.338 3.881 1.00 42.13 H new ATOM 0 HD12 LEU A 104 -0.346 0.921 5.531 1.00 42.13 H new ATOM 0 HD13 LEU A 104 -0.775 -0.785 5.258 1.00 42.13 H new ATOM 0 HD21 LEU A 104 -2.997 -0.176 3.164 1.00 53.43 H new ATOM 0 HD22 LEU A 104 -3.182 -1.342 4.496 1.00 53.43 H new ATOM 0 HD23 LEU A 104 -4.347 -0.010 4.311 1.00 53.43 H new ATOM 1508 N THR A 105 -5.344 -0.262 8.690 1.00 13.14 N ATOM 1509 CA THR A 105 -5.719 -0.711 10.028 1.00 63.15 C ATOM 1510 C THR A 105 -4.619 -1.589 10.665 1.00 13.40 C ATOM 1511 O THR A 105 -4.468 -1.597 11.888 1.00 72.25 O ATOM 1512 CB THR A 105 -7.102 -1.398 9.928 1.00 55.15 C ATOM 1513 OG1 THR A 105 -7.609 -1.794 11.192 1.00 32.14 O ATOM 1514 CG2 THR A 105 -7.131 -2.606 8.987 1.00 4.43 C ATOM 0 H THR A 105 -5.848 -0.744 7.945 1.00 13.14 H new ATOM 0 HA THR A 105 -5.809 0.134 10.710 1.00 63.15 H new ATOM 0 HB THR A 105 -7.743 -0.625 9.505 1.00 55.15 H new ATOM 0 HG1 THR A 105 -8.483 -2.221 11.075 1.00 32.14 H new ATOM 0 HG21 THR A 105 -8.134 -3.031 8.972 1.00 4.43 H new ATOM 0 HG22 THR A 105 -6.856 -2.290 7.981 1.00 4.43 H new ATOM 0 HG23 THR A 105 -6.424 -3.357 9.338 1.00 4.43 H new ATOM 1522 N GLU A 106 -3.868 -2.325 9.849 1.00 12.31 N ATOM 1523 CA GLU A 106 -2.866 -3.336 10.188 1.00 64.32 C ATOM 1524 C GLU A 106 -1.585 -2.720 10.797 1.00 32.44 C ATOM 1525 O GLU A 106 -1.425 -1.494 10.764 1.00 24.02 O ATOM 1526 CB GLU A 106 -2.556 -4.107 8.895 1.00 62.31 C ATOM 1527 CG GLU A 106 -3.724 -4.964 8.394 1.00 14.30 C ATOM 1528 CD GLU A 106 -3.851 -6.341 9.049 1.00 74.42 C ATOM 1529 OE1 GLU A 106 -4.194 -6.440 10.252 1.00 23.13 O ATOM 1530 OE2 GLU A 106 -3.667 -7.343 8.320 1.00 55.54 O ATOM 0 H GLU A 106 -3.953 -2.219 8.838 1.00 12.31 H new ATOM 0 HA GLU A 106 -3.257 -4.002 10.957 1.00 64.32 H new ATOM 0 HB2 GLU A 106 -2.278 -3.397 8.117 1.00 62.31 H new ATOM 0 HB3 GLU A 106 -1.692 -4.749 9.064 1.00 62.31 H new ATOM 0 HG2 GLU A 106 -4.652 -4.415 8.556 1.00 14.30 H new ATOM 0 HG3 GLU A 106 -3.618 -5.100 7.318 1.00 14.30 H new ATOM 1535 N PRO A 107 -0.677 -3.519 11.390 1.00 51.41 N ATOM 1536 CA PRO A 107 0.690 -3.093 11.709 1.00 32.30 C ATOM 1537 C PRO A 107 1.472 -2.598 10.474 1.00 60.02 C ATOM 1538 O PRO A 107 1.112 -2.911 9.334 1.00 15.50 O ATOM 1539 CB PRO A 107 1.358 -4.330 12.325 1.00 64.25 C ATOM 1540 CG PRO A 107 0.542 -5.514 11.821 1.00 73.42 C ATOM 1541 CD PRO A 107 -0.855 -4.924 11.723 1.00 20.30 C ATOM 0 HA PRO A 107 0.679 -2.240 12.387 1.00 32.30 H new ATOM 0 HB2 PRO A 107 2.400 -4.410 12.017 1.00 64.25 H new ATOM 0 HB3 PRO A 107 1.351 -4.281 13.414 1.00 64.25 H new ATOM 0 HG2 PRO A 107 0.900 -5.874 10.857 1.00 73.42 H new ATOM 0 HG3 PRO A 107 0.580 -6.357 12.510 1.00 73.42 H new ATOM 0 HD2 PRO A 107 -1.441 -5.434 10.959 1.00 20.30 H new ATOM 0 HD3 PRO A 107 -1.392 -5.036 12.665 1.00 20.30 H new ATOM 1546 N VAL A 108 2.566 -1.864 10.709 1.00 11.13 N ATOM 1547 CA VAL A 108 3.478 -1.320 9.702 1.00 11.43 C ATOM 1548 C VAL A 108 4.893 -1.423 10.279 1.00 43.34 C ATOM 1549 O VAL A 108 5.166 -0.901 11.359 1.00 43.54 O ATOM 1550 CB VAL A 108 3.133 0.144 9.353 1.00 40.15 C ATOM 1551 CG1 VAL A 108 4.039 0.709 8.250 1.00 1.41 C ATOM 1552 CG2 VAL A 108 1.688 0.338 8.895 1.00 55.51 C ATOM 0 H VAL A 108 2.852 -1.622 11.658 1.00 11.13 H new ATOM 0 HA VAL A 108 3.392 -1.884 8.773 1.00 11.43 H new ATOM 0 HB VAL A 108 3.289 0.680 10.289 1.00 40.15 H new ATOM 0 HG11 VAL A 108 3.757 1.741 8.040 1.00 1.41 H new ATOM 0 HG12 VAL A 108 5.077 0.677 8.580 1.00 1.41 H new ATOM 0 HG13 VAL A 108 3.927 0.111 7.345 1.00 1.41 H new ATOM 0 HG21 VAL A 108 1.517 1.390 8.667 1.00 55.51 H new ATOM 0 HG22 VAL A 108 1.506 -0.261 8.003 1.00 55.51 H new ATOM 0 HG23 VAL A 108 1.010 0.024 9.688 1.00 55.51 H new ATOM 1562 N GLU A 109 5.779 -2.156 9.609 1.00 61.35 N ATOM 1563 CA GLU A 109 7.183 -2.313 9.940 1.00 23.34 C ATOM 1564 C GLU A 109 7.999 -1.073 9.554 1.00 41.34 C ATOM 1565 O GLU A 109 7.462 -0.039 9.138 1.00 61.12 O ATOM 1566 CB GLU A 109 7.674 -3.572 9.199 1.00 41.42 C ATOM 1567 CG GLU A 109 8.256 -4.623 10.143 1.00 55.55 C ATOM 1568 CD GLU A 109 9.721 -4.354 10.512 1.00 31.20 C ATOM 1569 OE1 GLU A 109 9.988 -3.400 11.280 1.00 61.45 O ATOM 1570 OE2 GLU A 109 10.603 -5.100 10.021 1.00 74.42 O ATOM 0 H GLU A 109 5.517 -2.683 8.776 1.00 61.35 H new ATOM 0 HA GLU A 109 7.314 -2.425 11.016 1.00 23.34 H new ATOM 0 HB2 GLU A 109 6.844 -4.008 8.644 1.00 41.42 H new ATOM 0 HB3 GLU A 109 8.431 -3.287 8.469 1.00 41.42 H new ATOM 0 HG2 GLU A 109 7.658 -4.656 11.054 1.00 55.55 H new ATOM 0 HG3 GLU A 109 8.179 -5.605 9.676 1.00 55.55 H new ATOM 1575 N SER A 110 9.309 -1.201 9.712 1.00 34.20 N ATOM 1576 CA SER A 110 10.314 -0.217 9.385 1.00 4.22 C ATOM 1577 C SER A 110 10.696 -0.360 7.922 1.00 4.52 C ATOM 1578 O SER A 110 10.377 0.548 7.132 1.00 14.14 O ATOM 1579 CB SER A 110 11.525 -0.446 10.304 1.00 32.12 C ATOM 1580 OG SER A 110 11.135 -0.729 11.646 1.00 34.44 O ATOM 0 H SER A 110 9.717 -2.053 10.097 1.00 34.20 H new ATOM 0 HA SER A 110 9.938 0.795 9.537 1.00 4.22 H new ATOM 0 HB2 SER A 110 12.121 -1.273 9.918 1.00 32.12 H new ATOM 0 HB3 SER A 110 12.162 0.439 10.291 1.00 32.12 H new ATOM 0 HG SER A 110 10.809 -1.651 11.704 1.00 34.44 H new