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 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -159:sc= 0.772 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 2.39 (180deg=1.51) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 53 SER OG : rot 180:sc= -0.189 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -164:sc= -0.202 (180deg=-0.685) USER MOD Single : A 66 GLN : amide:sc= 1.03 K(o=1,f=-0.51) USER MOD Single : A 70 SER OG : rot -173:sc= 1.27 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.6) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.153 -12.512 5.888 1.00 65.31 N ATOM 42 CA LEU A 4 -11.010 -11.314 5.071 1.00 61.24 C ATOM 43 C LEU A 4 -10.218 -11.653 3.796 1.00 45.31 C ATOM 44 O LEU A 4 -9.631 -12.731 3.685 1.00 71.33 O ATOM 45 CB LEU A 4 -10.310 -10.228 5.908 1.00 61.33 C ATOM 46 CG LEU A 4 -11.120 -9.568 7.050 1.00 14.11 C ATOM 47 CD1 LEU A 4 -12.259 -8.720 6.489 1.00 70.32 C ATOM 48 CD2 LEU A 4 -11.668 -10.523 8.121 1.00 53.20 C ATOM 0 HA LEU A 4 -11.985 -10.937 4.762 1.00 61.24 H new ATOM 0 HB2 LEU A 4 -9.412 -10.667 6.343 1.00 61.33 H new ATOM 0 HB3 LEU A 4 -9.983 -9.440 5.230 1.00 61.33 H new ATOM 0 HG LEU A 4 -10.388 -8.946 7.565 1.00 14.11 H new ATOM 0 HD11 LEU A 4 -12.814 -8.267 7.310 1.00 70.32 H new ATOM 0 HD12 LEU A 4 -11.849 -7.936 5.852 1.00 70.32 H new ATOM 0 HD13 LEU A 4 -12.928 -9.351 5.904 1.00 70.32 H new ATOM 0 HD21 LEU A 4 -12.218 -9.953 8.870 1.00 53.20 H new ATOM 0 HD22 LEU A 4 -12.335 -11.248 7.655 1.00 53.20 H new ATOM 0 HD23 LEU A 4 -10.840 -11.047 8.599 1.00 53.20 H new ATOM 59 N SER A 5 -10.180 -10.733 2.836 1.00 73.51 N ATOM 60 CA SER A 5 -9.402 -10.867 1.606 1.00 51.40 C ATOM 61 C SER A 5 -8.542 -9.611 1.439 1.00 23.32 C ATOM 62 O SER A 5 -8.903 -8.580 2.017 1.00 33.42 O ATOM 63 CB SER A 5 -10.343 -11.005 0.397 1.00 5.02 C ATOM 64 OG SER A 5 -11.628 -11.545 0.650 1.00 31.33 O ATOM 0 H SER A 5 -10.699 -9.856 2.891 1.00 73.51 H new ATOM 0 HA SER A 5 -8.773 -11.755 1.664 1.00 51.40 H new ATOM 0 HB2 SER A 5 -10.470 -10.019 -0.050 1.00 5.02 H new ATOM 0 HB3 SER A 5 -9.851 -11.631 -0.347 1.00 5.02 H new ATOM 0 HG SER A 5 -12.137 -11.584 -0.187 1.00 31.33 H new ATOM 69 N THR A 6 -7.518 -9.647 0.570 1.00 63.34 N ATOM 70 CA THR A 6 -6.799 -8.461 0.101 1.00 3.21 C ATOM 71 C THR A 6 -7.814 -7.371 -0.253 1.00 74.20 C ATOM 72 O THR A 6 -7.783 -6.283 0.333 1.00 23.34 O ATOM 73 CB THR A 6 -5.871 -8.797 -1.084 1.00 62.24 C ATOM 74 OG1 THR A 6 -5.026 -9.880 -0.749 1.00 1.33 O ATOM 75 CG2 THR A 6 -4.967 -7.612 -1.435 1.00 44.42 C ATOM 0 H THR A 6 -7.165 -10.516 0.170 1.00 63.34 H new ATOM 0 HA THR A 6 -6.152 -8.091 0.896 1.00 3.21 H new ATOM 0 HB THR A 6 -6.511 -9.043 -1.931 1.00 62.24 H new ATOM 0 HG1 THR A 6 -4.240 -9.874 -1.334 1.00 1.33 H new ATOM 0 HG21 THR A 6 -4.325 -7.880 -2.274 1.00 44.42 H new ATOM 0 HG22 THR A 6 -5.581 -6.754 -1.708 1.00 44.42 H new ATOM 0 HG23 THR A 6 -4.350 -7.357 -0.573 1.00 44.42 H new ATOM 83 N ASP A 7 -8.748 -7.728 -1.141 1.00 11.32 N ATOM 84 CA ASP A 7 -9.824 -6.876 -1.635 1.00 5.02 C ATOM 85 C ASP A 7 -10.582 -6.186 -0.504 1.00 74.23 C ATOM 86 O ASP A 7 -10.818 -4.981 -0.577 1.00 63.50 O ATOM 87 CB ASP A 7 -10.775 -7.710 -2.497 1.00 44.33 C ATOM 88 CG ASP A 7 -12.145 -7.043 -2.603 1.00 43.00 C ATOM 89 OD1 ASP A 7 -12.260 -5.978 -3.245 1.00 14.14 O ATOM 90 OD2 ASP A 7 -13.095 -7.569 -1.979 1.00 53.21 O ATOM 0 H ASP A 7 -8.772 -8.662 -1.551 1.00 11.32 H new ATOM 0 HA ASP A 7 -9.380 -6.085 -2.239 1.00 5.02 H new ATOM 0 HB2 ASP A 7 -10.351 -7.838 -3.493 1.00 44.33 H new ATOM 0 HB3 ASP A 7 -10.884 -8.705 -2.066 1.00 44.33 H new ATOM 94 N ILE A 8 -10.960 -6.927 0.541 1.00 24.34 N ATOM 95 CA ILE A 8 -11.811 -6.408 1.602 1.00 72.44 C ATOM 96 C ILE A 8 -11.106 -5.260 2.313 1.00 25.21 C ATOM 97 O ILE A 8 -11.676 -4.177 2.464 1.00 62.41 O ATOM 98 CB ILE A 8 -12.218 -7.495 2.608 1.00 54.43 C ATOM 99 CG1 ILE A 8 -12.921 -8.679 1.942 1.00 62.42 C ATOM 100 CG2 ILE A 8 -13.136 -6.860 3.665 1.00 14.03 C ATOM 101 CD1 ILE A 8 -14.255 -8.380 1.264 1.00 30.42 C ATOM 0 H ILE A 8 -10.683 -7.900 0.670 1.00 24.34 H new ATOM 0 HA ILE A 8 -12.729 -6.044 1.141 1.00 72.44 H new ATOM 0 HB ILE A 8 -11.313 -7.891 3.068 1.00 54.43 H new ATOM 0 HG12 ILE A 8 -12.247 -9.103 1.198 1.00 62.42 H new ATOM 0 HG13 ILE A 8 -13.086 -9.448 2.697 1.00 62.42 H new ATOM 0 HG21 ILE A 8 -13.436 -7.618 4.389 1.00 14.03 H new ATOM 0 HG22 ILE A 8 -12.602 -6.060 4.177 1.00 14.03 H new ATOM 0 HG23 ILE A 8 -14.022 -6.452 3.179 1.00 14.03 H new ATOM 0 HD11 ILE A 8 -14.655 -9.296 0.829 1.00 30.42 H new ATOM 0 HD12 ILE A 8 -14.958 -7.990 2.000 1.00 30.42 H new ATOM 0 HD13 ILE A 8 -14.106 -7.640 0.478 1.00 30.42 H new ATOM 112 N TRP A 9 -9.884 -5.508 2.786 1.00 41.43 N ATOM 113 CA TRP A 9 -9.183 -4.520 3.581 1.00 14.34 C ATOM 114 C TRP A 9 -8.961 -3.254 2.741 1.00 51.21 C ATOM 115 O TRP A 9 -9.210 -2.147 3.227 1.00 74.21 O ATOM 116 CB TRP A 9 -7.872 -5.104 4.100 1.00 24.21 C ATOM 117 CG TRP A 9 -7.920 -6.397 4.867 1.00 13.43 C ATOM 118 CD1 TRP A 9 -8.547 -6.616 6.047 1.00 72.41 C ATOM 119 CD2 TRP A 9 -7.190 -7.626 4.580 1.00 61.51 C ATOM 120 NE1 TRP A 9 -8.190 -7.865 6.527 1.00 14.24 N ATOM 121 CE2 TRP A 9 -7.367 -8.539 5.654 1.00 63.31 C ATOM 122 CE3 TRP A 9 -6.351 -8.035 3.530 1.00 51.04 C ATOM 123 CZ2 TRP A 9 -6.748 -9.798 5.680 1.00 30.12 C ATOM 124 CZ3 TRP A 9 -5.745 -9.309 3.522 1.00 50.34 C ATOM 125 CH2 TRP A 9 -5.940 -10.188 4.601 1.00 21.32 C ATOM 0 H TRP A 9 -9.371 -6.376 2.631 1.00 41.43 H new ATOM 0 HA TRP A 9 -9.781 -4.244 4.450 1.00 14.34 H new ATOM 0 HB2 TRP A 9 -7.212 -5.249 3.245 1.00 24.21 H new ATOM 0 HB3 TRP A 9 -7.405 -4.355 4.740 1.00 24.21 H new ATOM 0 HD1 TRP A 9 -9.219 -5.926 6.536 1.00 72.41 H new ATOM 0 HE1 TRP A 9 -8.501 -8.241 7.423 1.00 14.24 H new ATOM 0 HE3 TRP A 9 -6.165 -7.358 2.709 1.00 51.04 H new ATOM 0 HZ2 TRP A 9 -6.892 -10.460 6.521 1.00 30.12 H new ATOM 0 HZ3 TRP A 9 -5.131 -9.609 2.686 1.00 50.34 H new ATOM 0 HH2 TRP A 9 -5.470 -11.160 4.600 1.00 21.32 H new ATOM 135 N VAL A 10 -8.573 -3.399 1.467 1.00 5.34 N ATOM 136 CA VAL A 10 -8.390 -2.269 0.560 1.00 41.33 C ATOM 137 C VAL A 10 -9.715 -1.534 0.326 1.00 32.41 C ATOM 138 O VAL A 10 -9.735 -0.300 0.341 1.00 3.15 O ATOM 139 CB VAL A 10 -7.712 -2.751 -0.737 1.00 32.31 C ATOM 140 CG1 VAL A 10 -7.646 -1.665 -1.821 1.00 21.55 C ATOM 141 CG2 VAL A 10 -6.274 -3.223 -0.446 1.00 74.14 C ATOM 0 H VAL A 10 -8.378 -4.305 1.041 1.00 5.34 H new ATOM 0 HA VAL A 10 -7.724 -1.534 1.012 1.00 41.33 H new ATOM 0 HB VAL A 10 -8.327 -3.570 -1.110 1.00 32.31 H new ATOM 0 HG11 VAL A 10 -7.158 -2.066 -2.709 1.00 21.55 H new ATOM 0 HG12 VAL A 10 -8.656 -1.344 -2.076 1.00 21.55 H new ATOM 0 HG13 VAL A 10 -7.077 -0.813 -1.448 1.00 21.55 H new ATOM 0 HG21 VAL A 10 -5.808 -3.561 -1.372 1.00 74.14 H new ATOM 0 HG22 VAL A 10 -5.697 -2.397 -0.029 1.00 74.14 H new ATOM 0 HG23 VAL A 10 -6.299 -4.045 0.269 1.00 74.14 H new ATOM 151 N ALA A 11 -10.825 -2.256 0.160 1.00 24.31 N ATOM 152 CA ALA A 11 -12.140 -1.667 -0.052 1.00 33.14 C ATOM 153 C ALA A 11 -12.575 -0.793 1.126 1.00 54.03 C ATOM 154 O ALA A 11 -13.369 0.129 0.932 1.00 53.24 O ATOM 155 CB ALA A 11 -13.174 -2.781 -0.287 1.00 45.01 C ATOM 0 H ALA A 11 -10.832 -3.276 0.170 1.00 24.31 H new ATOM 0 HA ALA A 11 -12.078 -1.025 -0.931 1.00 33.14 H new ATOM 0 HB1 ALA A 11 -14.157 -2.337 -0.445 1.00 45.01 H new ATOM 0 HB2 ALA A 11 -12.891 -3.360 -1.166 1.00 45.01 H new ATOM 0 HB3 ALA A 11 -13.207 -3.436 0.584 1.00 45.01 H new ATOM 161 N ALA A 12 -12.065 -1.055 2.331 1.00 4.41 N ATOM 162 CA ALA A 12 -12.339 -0.247 3.503 1.00 24.52 C ATOM 163 C ALA A 12 -11.368 0.923 3.531 1.00 54.44 C ATOM 164 O ALA A 12 -11.784 2.051 3.770 1.00 14.14 O ATOM 165 CB ALA A 12 -12.185 -1.125 4.747 1.00 72.40 C ATOM 0 H ALA A 12 -11.445 -1.844 2.514 1.00 4.41 H new ATOM 0 HA ALA A 12 -13.354 0.149 3.478 1.00 24.52 H new ATOM 0 HB1 ALA A 12 -12.388 -0.532 5.639 1.00 72.40 H new ATOM 0 HB2 ALA A 12 -12.889 -1.955 4.696 1.00 72.40 H new ATOM 0 HB3 ALA A 12 -11.168 -1.514 4.794 1.00 72.40 H new ATOM 171 N LEU A 13 -10.076 0.659 3.321 1.00 70.51 N ATOM 172 CA LEU A 13 -9.007 1.647 3.396 1.00 50.41 C ATOM 173 C LEU A 13 -9.312 2.813 2.450 1.00 2.34 C ATOM 174 O LEU A 13 -9.234 3.950 2.891 1.00 53.44 O ATOM 175 CB LEU A 13 -7.620 0.992 3.178 1.00 33.44 C ATOM 176 CG LEU A 13 -6.900 1.243 1.830 1.00 72.13 C ATOM 177 CD1 LEU A 13 -6.188 2.601 1.860 1.00 52.23 C ATOM 178 CD2 LEU A 13 -5.846 0.184 1.487 1.00 11.12 C ATOM 0 H LEU A 13 -9.740 -0.275 3.088 1.00 70.51 H new ATOM 0 HA LEU A 13 -8.961 2.068 4.400 1.00 50.41 H new ATOM 0 HB2 LEU A 13 -6.961 1.332 3.977 1.00 33.44 H new ATOM 0 HB3 LEU A 13 -7.737 -0.085 3.298 1.00 33.44 H new ATOM 0 HG LEU A 13 -7.682 1.206 1.072 1.00 72.13 H new ATOM 0 HD11 LEU A 13 -5.684 2.769 0.908 1.00 52.23 H new ATOM 0 HD12 LEU A 13 -6.919 3.392 2.028 1.00 52.23 H new ATOM 0 HD13 LEU A 13 -5.453 2.609 2.665 1.00 52.23 H new ATOM 0 HD21 LEU A 13 -5.385 0.427 0.530 1.00 11.12 H new ATOM 0 HD22 LEU A 13 -5.082 0.166 2.264 1.00 11.12 H new ATOM 0 HD23 LEU A 13 -6.321 -0.795 1.423 1.00 11.12 H new ATOM 189 N ILE A 14 -9.679 2.546 1.189 1.00 61.23 N ATOM 190 CA ILE A 14 -9.908 3.574 0.172 1.00 70.13 C ATOM 191 C ILE A 14 -11.014 4.501 0.649 1.00 63.13 C ATOM 192 O ILE A 14 -10.802 5.702 0.793 1.00 10.23 O ATOM 193 CB ILE A 14 -10.204 2.911 -1.197 1.00 73.12 C ATOM 194 CG1 ILE A 14 -8.916 2.339 -1.824 1.00 10.01 C ATOM 195 CG2 ILE A 14 -10.887 3.853 -2.206 1.00 32.45 C ATOM 196 CD1 ILE A 14 -7.806 3.366 -2.052 1.00 32.54 C ATOM 0 H ILE A 14 -9.826 1.597 0.845 1.00 61.23 H new ATOM 0 HA ILE A 14 -9.016 4.183 0.026 1.00 70.13 H new ATOM 0 HB ILE A 14 -10.906 2.105 -0.982 1.00 73.12 H new ATOM 0 HG12 ILE A 14 -8.534 1.548 -1.178 1.00 10.01 H new ATOM 0 HG13 ILE A 14 -9.167 1.877 -2.779 1.00 10.01 H new ATOM 0 HG21 ILE A 14 -11.063 3.320 -3.140 1.00 32.45 H new ATOM 0 HG22 ILE A 14 -11.839 4.194 -1.799 1.00 32.45 H new ATOM 0 HG23 ILE A 14 -10.244 4.713 -2.394 1.00 32.45 H new ATOM 0 HD11 ILE A 14 -6.940 2.874 -2.495 1.00 32.54 H new ATOM 0 HD12 ILE A 14 -8.164 4.146 -2.724 1.00 32.54 H new ATOM 0 HD13 ILE A 14 -7.521 3.812 -1.099 1.00 32.54 H new ATOM 207 N ARG A 15 -12.162 3.914 0.987 1.00 63.14 N ATOM 208 CA ARG A 15 -13.276 4.567 1.605 1.00 30.43 C ATOM 209 C ARG A 15 -12.810 5.451 2.760 1.00 50.14 C ATOM 210 O ARG A 15 -13.142 6.626 2.782 1.00 31.43 O ATOM 211 CB ARG A 15 -14.252 3.437 1.960 1.00 12.12 C ATOM 212 CG ARG A 15 -15.360 3.946 2.854 1.00 52.30 C ATOM 213 CD ARG A 15 -16.506 2.941 2.933 1.00 53.41 C ATOM 214 NE ARG A 15 -17.768 3.572 3.353 1.00 53.30 N ATOM 215 CZ ARG A 15 -18.963 3.056 3.065 1.00 5.23 C ATOM 216 NH1 ARG A 15 -19.052 1.804 2.635 1.00 43.33 N ATOM 217 NH2 ARG A 15 -20.073 3.766 3.226 1.00 72.41 N ATOM 0 H ARG A 15 -12.331 2.922 0.822 1.00 63.14 H new ATOM 0 HA ARG A 15 -13.794 5.278 0.961 1.00 30.43 H new ATOM 0 HB2 ARG A 15 -14.678 3.018 1.048 1.00 12.12 H new ATOM 0 HB3 ARG A 15 -13.716 2.631 2.461 1.00 12.12 H new ATOM 0 HG2 ARG A 15 -14.968 4.135 3.853 1.00 52.30 H new ATOM 0 HG3 ARG A 15 -15.732 4.897 2.473 1.00 52.30 H new ATOM 0 HD2 ARG A 15 -16.643 2.471 1.959 1.00 53.41 H new ATOM 0 HD3 ARG A 15 -16.246 2.149 3.636 1.00 53.41 H new ATOM 0 HE ARG A 15 -17.726 4.440 3.887 1.00 53.30 H new ATOM 0 HH11 ARG A 15 -18.208 1.241 2.526 1.00 43.33 H new ATOM 0 HH12 ARG A 15 -19.964 1.405 2.413 1.00 43.33 H new ATOM 0 HH21 ARG A 15 -20.020 4.723 3.575 1.00 72.41 H new ATOM 0 HH22 ARG A 15 -20.979 3.355 3.000 1.00 72.41 H new ATOM 228 N ARG A 16 -12.054 4.916 3.720 1.00 61.20 N ATOM 229 CA ARG A 16 -11.612 5.665 4.899 1.00 51.30 C ATOM 230 C ARG A 16 -10.651 6.803 4.543 1.00 71.30 C ATOM 231 O ARG A 16 -10.642 7.797 5.264 1.00 73.13 O ATOM 232 CB ARG A 16 -10.898 4.713 5.873 1.00 61.03 C ATOM 233 CG ARG A 16 -11.809 3.648 6.502 1.00 14.25 C ATOM 234 CD ARG A 16 -10.989 2.407 6.863 1.00 61.24 C ATOM 235 NE ARG A 16 -11.742 1.486 7.728 1.00 14.23 N ATOM 236 CZ ARG A 16 -11.337 0.270 8.098 1.00 13.04 C ATOM 237 NH1 ARG A 16 -10.285 -0.291 7.510 1.00 63.20 N ATOM 238 NH2 ARG A 16 -11.976 -0.393 9.049 1.00 74.14 N ATOM 0 H ARG A 16 -11.730 3.949 3.702 1.00 61.20 H new ATOM 0 HA ARG A 16 -12.502 6.101 5.354 1.00 51.30 H new ATOM 0 HB2 ARG A 16 -10.087 4.213 5.344 1.00 61.03 H new ATOM 0 HB3 ARG A 16 -10.444 5.302 6.670 1.00 61.03 H new ATOM 0 HG2 ARG A 16 -12.289 4.049 7.394 1.00 14.25 H new ATOM 0 HG3 ARG A 16 -12.603 3.380 5.806 1.00 14.25 H new ATOM 0 HD2 ARG A 16 -10.694 1.889 5.951 1.00 61.24 H new ATOM 0 HD3 ARG A 16 -10.072 2.712 7.368 1.00 61.24 H new ATOM 0 HE ARG A 16 -12.648 1.803 8.073 1.00 14.23 H new ATOM 0 HH11 ARG A 16 -9.786 0.208 6.774 1.00 63.20 H new ATOM 0 HH12 ARG A 16 -9.977 -1.221 7.795 1.00 63.20 H new ATOM 0 HH21 ARG A 16 -12.786 0.025 9.506 1.00 74.14 H new ATOM 0 HH22 ARG A 16 -11.658 -1.322 9.325 1.00 74.14 H new ATOM 249 N ALA A 17 -9.819 6.646 3.510 1.00 63.12 N ATOM 250 CA ALA A 17 -8.838 7.634 3.084 1.00 32.22 C ATOM 251 C ALA A 17 -9.553 8.856 2.529 1.00 22.01 C ATOM 252 O ALA A 17 -9.373 9.964 3.027 1.00 52.31 O ATOM 253 CB ALA A 17 -7.902 7.026 2.033 1.00 3.23 C ATOM 0 H ALA A 17 -9.813 5.804 2.935 1.00 63.12 H new ATOM 0 HA ALA A 17 -8.236 7.941 3.939 1.00 32.22 H new ATOM 0 HB1 ALA A 17 -7.172 7.773 1.721 1.00 3.23 H new ATOM 0 HB2 ALA A 17 -7.383 6.168 2.461 1.00 3.23 H new ATOM 0 HB3 ALA A 17 -8.484 6.705 1.170 1.00 3.23 H new ATOM 259 N GLU A 18 -10.384 8.630 1.515 1.00 50.13 N ATOM 260 CA GLU A 18 -11.106 9.675 0.809 1.00 64.44 C ATOM 261 C GLU A 18 -12.074 10.382 1.772 1.00 12.42 C ATOM 262 O GLU A 18 -12.117 11.611 1.849 1.00 33.12 O ATOM 263 CB GLU A 18 -11.818 9.037 -0.389 1.00 34.33 C ATOM 264 CG GLU A 18 -10.856 8.464 -1.450 1.00 74.23 C ATOM 265 CD GLU A 18 -11.621 7.991 -2.686 1.00 12.42 C ATOM 266 OE1 GLU A 18 -12.191 6.877 -2.674 1.00 3.43 O ATOM 267 OE2 GLU A 18 -11.687 8.750 -3.682 1.00 65.10 O ATOM 0 H GLU A 18 -10.576 7.694 1.157 1.00 50.13 H new ATOM 0 HA GLU A 18 -10.428 10.442 0.434 1.00 64.44 H new ATOM 0 HB2 GLU A 18 -12.467 8.238 -0.031 1.00 34.33 H new ATOM 0 HB3 GLU A 18 -12.460 9.783 -0.858 1.00 34.33 H new ATOM 0 HG2 GLU A 18 -10.130 9.225 -1.737 1.00 74.23 H new ATOM 0 HG3 GLU A 18 -10.294 7.632 -1.025 1.00 74.23 H new ATOM 272 N LEU A 19 -12.797 9.610 2.592 1.00 1.35 N ATOM 273 CA LEU A 19 -13.649 10.103 3.669 1.00 74.41 C ATOM 274 C LEU A 19 -12.867 10.905 4.710 1.00 11.22 C ATOM 275 O LEU A 19 -13.427 11.794 5.345 1.00 63.10 O ATOM 276 CB LEU A 19 -14.250 8.858 4.320 1.00 22.54 C ATOM 277 CG LEU A 19 -15.209 9.054 5.493 1.00 4.04 C ATOM 278 CD1 LEU A 19 -16.552 9.594 5.003 1.00 32.21 C ATOM 279 CD2 LEU A 19 -15.406 7.667 6.111 1.00 3.43 C ATOM 0 H LEU A 19 -12.802 8.593 2.518 1.00 1.35 H new ATOM 0 HA LEU A 19 -14.405 10.780 3.272 1.00 74.41 H new ATOM 0 HB2 LEU A 19 -14.778 8.299 3.547 1.00 22.54 H new ATOM 0 HB3 LEU A 19 -13.427 8.230 4.662 1.00 22.54 H new ATOM 0 HG LEU A 19 -14.810 9.769 6.212 1.00 4.04 H new ATOM 0 HD11 LEU A 19 -17.222 9.727 5.852 1.00 32.21 H new ATOM 0 HD12 LEU A 19 -16.400 10.553 4.507 1.00 32.21 H new ATOM 0 HD13 LEU A 19 -16.993 8.888 4.300 1.00 32.21 H new ATOM 0 HD21 LEU A 19 -16.086 7.740 6.960 1.00 3.43 H new ATOM 0 HD22 LEU A 19 -15.828 6.993 5.365 1.00 3.43 H new ATOM 0 HD23 LEU A 19 -14.445 7.279 6.448 1.00 3.43 H new ATOM 290 N GLY A 20 -11.590 10.578 4.895 1.00 63.40 N ATOM 291 CA GLY A 20 -10.716 11.160 5.891 1.00 11.11 C ATOM 292 C GLY A 20 -9.950 12.373 5.384 1.00 30.13 C ATOM 293 O GLY A 20 -9.160 12.919 6.162 1.00 43.44 O ATOM 0 H GLY A 20 -11.124 9.870 4.327 1.00 63.40 H new ATOM 0 HA2 GLY A 20 -11.308 11.450 6.759 1.00 11.11 H new ATOM 0 HA3 GLY A 20 -10.006 10.405 6.227 1.00 11.11 H new ATOM 297 N GLY A 21 -10.166 12.794 4.134 1.00 34.23 N ATOM 298 CA GLY A 21 -9.603 14.022 3.596 1.00 51.12 C ATOM 299 C GLY A 21 -8.253 13.834 2.909 1.00 23.15 C ATOM 300 O GLY A 21 -7.542 14.827 2.754 1.00 74.41 O ATOM 0 H GLY A 21 -10.743 12.282 3.466 1.00 34.23 H new ATOM 0 HA2 GLY A 21 -10.306 14.450 2.882 1.00 51.12 H new ATOM 0 HA3 GLY A 21 -9.491 14.744 4.405 1.00 51.12 H new ATOM 304 N ALA A 22 -7.889 12.612 2.504 1.00 51.54 N ATOM 305 CA ALA A 22 -6.749 12.352 1.625 1.00 62.41 C ATOM 306 C ALA A 22 -7.273 12.006 0.232 1.00 71.10 C ATOM 307 O ALA A 22 -8.480 11.811 0.058 1.00 65.34 O ATOM 308 CB ALA A 22 -5.910 11.208 2.200 1.00 62.41 C ATOM 0 H ALA A 22 -8.386 11.766 2.783 1.00 51.54 H new ATOM 0 HA ALA A 22 -6.113 13.234 1.553 1.00 62.41 H new ATOM 0 HB1 ALA A 22 -5.061 11.015 1.545 1.00 62.41 H new ATOM 0 HB2 ALA A 22 -5.549 11.484 3.191 1.00 62.41 H new ATOM 0 HB3 ALA A 22 -6.523 10.309 2.275 1.00 62.41 H new ATOM 314 N PHE A 23 -6.401 11.928 -0.773 1.00 11.24 N ATOM 315 CA PHE A 23 -6.750 11.296 -2.039 1.00 25.41 C ATOM 316 C PHE A 23 -6.354 9.830 -1.922 1.00 11.33 C ATOM 317 O PHE A 23 -5.306 9.519 -1.352 1.00 44.53 O ATOM 318 CB PHE A 23 -5.982 11.950 -3.193 1.00 51.43 C ATOM 319 CG PHE A 23 -6.584 11.765 -4.572 1.00 62.22 C ATOM 320 CD1 PHE A 23 -7.873 12.260 -4.849 1.00 52.32 C ATOM 321 CD2 PHE A 23 -5.814 11.212 -5.614 1.00 63.54 C ATOM 322 CE1 PHE A 23 -8.387 12.211 -6.155 1.00 5.05 C ATOM 323 CE2 PHE A 23 -6.319 11.183 -6.926 1.00 2.23 C ATOM 324 CZ PHE A 23 -7.605 11.689 -7.199 1.00 53.03 C ATOM 0 H PHE A 23 -5.450 12.295 -0.732 1.00 11.24 H new ATOM 0 HA PHE A 23 -7.815 11.405 -2.244 1.00 25.41 H new ATOM 0 HB2 PHE A 23 -5.902 13.018 -2.992 1.00 51.43 H new ATOM 0 HB3 PHE A 23 -4.968 11.550 -3.203 1.00 51.43 H new ATOM 0 HD1 PHE A 23 -8.470 12.680 -4.053 1.00 52.32 H new ATOM 0 HD2 PHE A 23 -4.834 10.810 -5.405 1.00 63.54 H new ATOM 0 HE1 PHE A 23 -9.384 12.575 -6.357 1.00 5.05 H new ATOM 0 HE2 PHE A 23 -5.720 10.772 -7.725 1.00 2.23 H new ATOM 0 HZ PHE A 23 -7.989 11.676 -8.208 1.00 53.03 H new ATOM 333 N ALA A 24 -7.145 8.927 -2.495 1.00 44.30 N ATOM 334 CA ALA A 24 -6.711 7.561 -2.714 1.00 11.35 C ATOM 335 C ALA A 24 -7.485 6.964 -3.883 1.00 65.34 C ATOM 336 O ALA A 24 -8.546 7.471 -4.255 1.00 25.54 O ATOM 337 CB ALA A 24 -6.921 6.729 -1.443 1.00 5.35 C ATOM 0 H ALA A 24 -8.093 9.123 -2.815 1.00 44.30 H new ATOM 0 HA ALA A 24 -5.648 7.552 -2.954 1.00 11.35 H new ATOM 0 HB1 ALA A 24 -6.591 5.705 -1.620 1.00 5.35 H new ATOM 0 HB2 ALA A 24 -6.343 7.160 -0.626 1.00 5.35 H new ATOM 0 HB3 ALA A 24 -7.978 6.729 -1.179 1.00 5.35 H new ATOM 343 N THR A 25 -6.984 5.849 -4.406 1.00 73.14 N ATOM 344 CA THR A 25 -7.710 4.917 -5.263 1.00 25.42 C ATOM 345 C THR A 25 -6.870 3.642 -5.412 1.00 70.24 C ATOM 346 O THR A 25 -5.801 3.521 -4.808 1.00 73.20 O ATOM 347 CB THR A 25 -8.164 5.550 -6.596 1.00 61.34 C ATOM 348 OG1 THR A 25 -9.078 4.669 -7.233 1.00 12.42 O ATOM 349 CG2 THR A 25 -6.990 5.893 -7.500 1.00 25.34 C ATOM 0 H THR A 25 -6.021 5.558 -4.237 1.00 73.14 H new ATOM 0 HA THR A 25 -8.655 4.643 -4.793 1.00 25.42 H new ATOM 0 HB THR A 25 -8.661 6.497 -6.385 1.00 61.34 H new ATOM 0 HG1 THR A 25 -9.374 5.062 -8.080 1.00 12.42 H new ATOM 0 HG21 THR A 25 -7.360 6.335 -8.425 1.00 25.34 H new ATOM 0 HG22 THR A 25 -6.337 6.604 -6.994 1.00 25.34 H new ATOM 0 HG23 THR A 25 -6.431 4.986 -7.730 1.00 25.34 H new ATOM 357 N VAL A 26 -7.353 2.676 -6.189 1.00 23.44 N ATOM 358 CA VAL A 26 -6.805 1.344 -6.338 1.00 1.05 C ATOM 359 C VAL A 26 -6.572 1.059 -7.832 1.00 51.20 C ATOM 360 O VAL A 26 -7.399 0.445 -8.510 1.00 32.42 O ATOM 361 CB VAL A 26 -7.712 0.384 -5.541 1.00 41.32 C ATOM 362 CG1 VAL A 26 -9.202 0.369 -5.923 1.00 44.30 C ATOM 363 CG2 VAL A 26 -7.189 -1.052 -5.518 1.00 1.02 C ATOM 0 H VAL A 26 -8.185 2.817 -6.762 1.00 23.44 H new ATOM 0 HA VAL A 26 -5.812 1.207 -5.910 1.00 1.05 H new ATOM 0 HB VAL A 26 -7.661 0.819 -4.543 1.00 41.32 H new ATOM 0 HG11 VAL A 26 -9.732 -0.345 -5.292 1.00 44.30 H new ATOM 0 HG12 VAL A 26 -9.624 1.364 -5.780 1.00 44.30 H new ATOM 0 HG13 VAL A 26 -9.307 0.077 -6.968 1.00 44.30 H new ATOM 0 HG21 VAL A 26 -7.870 -1.678 -4.942 1.00 1.02 H new ATOM 0 HG22 VAL A 26 -7.122 -1.431 -6.538 1.00 1.02 H new ATOM 0 HG23 VAL A 26 -6.201 -1.072 -5.058 1.00 1.02 H new ATOM 373 N ALA A 27 -5.435 1.537 -8.356 1.00 41.44 N ATOM 374 CA ALA A 27 -5.114 1.590 -9.782 1.00 54.24 C ATOM 375 C ALA A 27 -4.991 0.208 -10.410 1.00 54.45 C ATOM 376 O ALA A 27 -5.002 0.069 -11.638 1.00 32.22 O ATOM 377 CB ALA A 27 -3.765 2.298 -9.973 1.00 14.20 C ATOM 0 H ALA A 27 -4.687 1.911 -7.772 1.00 41.44 H new ATOM 0 HA ALA A 27 -5.932 2.123 -10.266 1.00 54.24 H new ATOM 0 HB1 ALA A 27 -3.523 2.339 -11.035 1.00 14.20 H new ATOM 0 HB2 ALA A 27 -3.826 3.311 -9.575 1.00 14.20 H new ATOM 0 HB3 ALA A 27 -2.987 1.747 -9.445 1.00 14.20 H new ATOM 383 N ARG A 28 -4.800 -0.825 -9.587 1.00 33.51 N ATOM 384 CA ARG A 28 -4.425 -2.145 -10.049 1.00 25.24 C ATOM 385 C ARG A 28 -5.060 -3.175 -9.143 1.00 34.14 C ATOM 386 O ARG A 28 -5.065 -2.998 -7.924 1.00 51.31 O ATOM 387 CB ARG A 28 -2.907 -2.249 -10.060 1.00 13.12 C ATOM 388 CG ARG A 28 -2.358 -3.135 -11.175 1.00 42.25 C ATOM 389 CD ARG A 28 -1.060 -2.526 -11.700 1.00 75.44 C ATOM 390 NE ARG A 28 -0.559 -3.168 -12.917 1.00 21.10 N ATOM 391 CZ ARG A 28 -0.104 -4.411 -13.083 1.00 13.32 C ATOM 392 NH1 ARG A 28 -0.151 -5.294 -12.092 1.00 23.51 N ATOM 393 NH2 ARG A 28 0.392 -4.748 -14.263 1.00 4.12 N ATOM 0 H ARG A 28 -4.904 -0.759 -8.574 1.00 33.51 H new ATOM 0 HA ARG A 28 -4.780 -2.325 -11.064 1.00 25.24 H new ATOM 0 HB2 ARG A 28 -2.484 -1.249 -10.162 1.00 13.12 H new ATOM 0 HB3 ARG A 28 -2.572 -2.640 -9.099 1.00 13.12 H new ATOM 0 HG2 ARG A 28 -2.177 -4.143 -10.801 1.00 42.25 H new ATOM 0 HG3 ARG A 28 -3.087 -3.221 -11.981 1.00 42.25 H new ATOM 0 HD2 ARG A 28 -1.220 -1.466 -11.898 1.00 75.44 H new ATOM 0 HD3 ARG A 28 -0.297 -2.593 -10.924 1.00 75.44 H new ATOM 0 HE ARG A 28 -0.558 -2.584 -13.753 1.00 21.10 H new ATOM 0 HH11 ARG A 28 -0.539 -5.026 -11.188 1.00 23.51 H new ATOM 0 HH12 ARG A 28 0.201 -6.241 -12.235 1.00 23.51 H new ATOM 0 HH21 ARG A 28 0.420 -4.064 -15.019 1.00 4.12 H new ATOM 0 HH22 ARG A 28 0.747 -5.692 -14.416 1.00 4.12 H new ATOM 404 N LYS A 29 -5.561 -4.242 -9.747 1.00 3.31 N ATOM 405 CA LYS A 29 -6.425 -5.223 -9.104 1.00 51.32 C ATOM 406 C LYS A 29 -5.824 -6.592 -9.344 1.00 30.35 C ATOM 407 O LYS A 29 -5.951 -7.141 -10.436 1.00 11.20 O ATOM 408 CB LYS A 29 -7.861 -5.074 -9.635 1.00 51.24 C ATOM 409 CG LYS A 29 -8.794 -6.195 -9.146 1.00 30.44 C ATOM 410 CD LYS A 29 -10.274 -5.813 -9.279 1.00 23.15 C ATOM 411 CE LYS A 29 -10.692 -4.882 -8.132 1.00 72.44 C ATOM 412 NZ LYS A 29 -11.412 -3.672 -8.578 1.00 43.01 N ATOM 0 H LYS A 29 -5.373 -4.456 -10.726 1.00 3.31 H new ATOM 0 HA LYS A 29 -6.489 -5.070 -8.027 1.00 51.32 H new ATOM 0 HB2 LYS A 29 -8.262 -4.110 -9.321 1.00 51.24 H new ATOM 0 HB3 LYS A 29 -7.843 -5.072 -10.725 1.00 51.24 H new ATOM 0 HG2 LYS A 29 -8.601 -7.102 -9.719 1.00 30.44 H new ATOM 0 HG3 LYS A 29 -8.571 -6.423 -8.104 1.00 30.44 H new ATOM 0 HD2 LYS A 29 -10.444 -5.320 -10.236 1.00 23.15 H new ATOM 0 HD3 LYS A 29 -10.890 -6.712 -9.269 1.00 23.15 H new ATOM 0 HE2 LYS A 29 -11.326 -5.436 -7.440 1.00 72.44 H new ATOM 0 HE3 LYS A 29 -9.803 -4.581 -7.579 1.00 72.44 H new ATOM 0 HZ1 LYS A 29 -11.662 -3.092 -7.751 1.00 43.01 H new ATOM 0 HZ2 LYS A 29 -10.803 -3.121 -9.216 1.00 43.01 H new ATOM 0 HZ3 LYS A 29 -12.279 -3.950 -9.081 1.00 43.01 H new ATOM 422 N GLY A 30 -5.109 -7.109 -8.352 1.00 61.13 N ATOM 423 CA GLY A 30 -4.658 -8.487 -8.343 1.00 62.32 C ATOM 424 C GLY A 30 -5.781 -9.401 -7.857 1.00 44.42 C ATOM 425 O GLY A 30 -6.949 -9.012 -7.773 1.00 52.02 O ATOM 0 H GLY A 30 -4.826 -6.577 -7.529 1.00 61.13 H new ATOM 0 HA2 GLY A 30 -4.345 -8.782 -9.344 1.00 62.32 H new ATOM 0 HA3 GLY A 30 -3.788 -8.589 -7.694 1.00 62.32 H new ATOM 429 N ASP A 31 -5.405 -10.626 -7.504 1.00 22.31 N ATOM 430 CA ASP A 31 -6.267 -11.655 -6.937 1.00 11.31 C ATOM 431 C ASP A 31 -6.872 -11.160 -5.622 1.00 32.13 C ATOM 432 O ASP A 31 -6.144 -10.647 -4.770 1.00 10.23 O ATOM 433 CB ASP A 31 -5.419 -12.910 -6.716 1.00 33.23 C ATOM 434 CG ASP A 31 -6.242 -14.052 -6.141 1.00 4.24 C ATOM 435 OD1 ASP A 31 -6.633 -13.988 -4.955 1.00 5.15 O ATOM 436 OD2 ASP A 31 -6.501 -14.997 -6.925 1.00 43.31 O ATOM 0 H ASP A 31 -4.442 -10.943 -7.612 1.00 22.31 H new ATOM 0 HA ASP A 31 -7.091 -11.885 -7.612 1.00 11.31 H new ATOM 0 HB2 ASP A 31 -4.976 -13.221 -7.662 1.00 33.23 H new ATOM 0 HB3 ASP A 31 -4.596 -12.678 -6.040 1.00 33.23 H new ATOM 440 N ALA A 32 -8.193 -11.259 -5.453 1.00 30.14 N ATOM 441 CA ALA A 32 -8.865 -10.694 -4.287 1.00 5.43 C ATOM 442 C ALA A 32 -8.447 -11.345 -2.973 1.00 23.11 C ATOM 443 O ALA A 32 -8.454 -10.657 -1.954 1.00 70.11 O ATOM 444 CB ALA A 32 -10.387 -10.784 -4.442 1.00 14.31 C ATOM 0 H ALA A 32 -8.816 -11.726 -6.111 1.00 30.14 H new ATOM 0 HA ALA A 32 -8.556 -9.650 -4.241 1.00 5.43 H new ATOM 0 HB1 ALA A 32 -10.868 -10.357 -3.562 1.00 14.31 H new ATOM 0 HB2 ALA A 32 -10.696 -10.230 -5.329 1.00 14.31 H new ATOM 0 HB3 ALA A 32 -10.681 -11.828 -4.546 1.00 14.31 H new ATOM 450 N ARG A 33 -8.136 -12.644 -2.962 1.00 23.34 N ATOM 451 CA ARG A 33 -7.834 -13.386 -1.742 1.00 63.22 C ATOM 452 C ARG A 33 -6.365 -13.215 -1.383 1.00 11.13 C ATOM 453 O ARG A 33 -6.050 -12.826 -0.257 1.00 25.23 O ATOM 454 CB ARG A 33 -8.177 -14.877 -1.913 1.00 70.40 C ATOM 455 CG ARG A 33 -9.675 -15.196 -1.792 1.00 1.05 C ATOM 456 CD ARG A 33 -10.525 -14.900 -3.031 1.00 71.31 C ATOM 457 NE ARG A 33 -11.899 -15.379 -2.810 1.00 72.24 N ATOM 458 CZ ARG A 33 -12.865 -15.544 -3.717 1.00 3.04 C ATOM 459 NH1 ARG A 33 -12.648 -15.361 -5.013 1.00 44.01 N ATOM 460 NH2 ARG A 33 -14.077 -15.884 -3.291 1.00 63.33 N ATOM 0 H ARG A 33 -8.087 -13.212 -3.808 1.00 23.34 H new ATOM 0 HA ARG A 33 -8.445 -12.989 -0.931 1.00 63.22 H new ATOM 0 HB2 ARG A 33 -7.824 -15.210 -2.889 1.00 70.40 H new ATOM 0 HB3 ARG A 33 -7.633 -15.452 -1.164 1.00 70.40 H new ATOM 0 HG2 ARG A 33 -9.783 -16.252 -1.545 1.00 1.05 H new ATOM 0 HG3 ARG A 33 -10.081 -14.630 -0.953 1.00 1.05 H new ATOM 0 HD2 ARG A 33 -10.530 -13.829 -3.234 1.00 71.31 H new ATOM 0 HD3 ARG A 33 -10.095 -15.388 -3.905 1.00 71.31 H new ATOM 0 HE ARG A 33 -12.143 -15.613 -1.848 1.00 72.24 H new ATOM 0 HH11 ARG A 33 -11.722 -15.086 -5.341 1.00 44.01 H new ATOM 0 HH12 ARG A 33 -13.407 -15.495 -5.681 1.00 44.01 H new ATOM 0 HH21 ARG A 33 -14.250 -16.012 -2.294 1.00 63.33 H new ATOM 0 HH22 ARG A 33 -14.834 -16.017 -3.961 1.00 63.33 H new ATOM 471 N ALA A 34 -5.480 -13.547 -2.321 1.00 73.34 N ATOM 472 CA ALA A 34 -4.064 -13.779 -2.056 1.00 11.43 C ATOM 473 C ALA A 34 -3.163 -12.834 -2.849 1.00 65.45 C ATOM 474 O ALA A 34 -1.941 -12.894 -2.690 1.00 5.00 O ATOM 475 CB ALA A 34 -3.732 -15.242 -2.366 1.00 30.43 C ATOM 0 H ALA A 34 -5.732 -13.664 -3.302 1.00 73.34 H new ATOM 0 HA ALA A 34 -3.873 -13.572 -1.003 1.00 11.43 H new ATOM 0 HB1 ALA A 34 -2.675 -15.425 -2.171 1.00 30.43 H new ATOM 0 HB2 ALA A 34 -4.336 -15.894 -1.734 1.00 30.43 H new ATOM 0 HB3 ALA A 34 -3.949 -15.450 -3.414 1.00 30.43 H new ATOM 481 N GLY A 35 -3.732 -11.966 -3.689 1.00 71.43 N ATOM 482 CA GLY A 35 -2.970 -11.010 -4.467 1.00 42.13 C ATOM 483 C GLY A 35 -2.217 -10.111 -3.503 1.00 43.02 C ATOM 484 O GLY A 35 -2.820 -9.560 -2.577 1.00 42.41 O ATOM 0 H GLY A 35 -4.739 -11.913 -3.843 1.00 71.43 H new ATOM 0 HA2 GLY A 35 -2.274 -11.526 -5.129 1.00 42.13 H new ATOM 0 HA3 GLY A 35 -3.633 -10.419 -5.099 1.00 42.13 H new ATOM 488 N ALA A 36 -0.912 -9.995 -3.719 1.00 62.45 N ATOM 489 CA ALA A 36 -0.044 -9.061 -3.029 1.00 70.52 C ATOM 490 C ALA A 36 -0.422 -7.635 -3.433 1.00 10.32 C ATOM 491 O ALA A 36 -1.181 -7.446 -4.379 1.00 12.12 O ATOM 492 CB ALA A 36 1.398 -9.372 -3.422 1.00 72.25 C ATOM 0 H ALA A 36 -0.417 -10.569 -4.402 1.00 62.45 H new ATOM 0 HA ALA A 36 -0.151 -9.152 -1.948 1.00 70.52 H new ATOM 0 HB1 ALA A 36 2.071 -8.681 -2.914 1.00 72.25 H new ATOM 0 HB2 ALA A 36 1.642 -10.394 -3.132 1.00 72.25 H new ATOM 0 HB3 ALA A 36 1.513 -9.263 -4.501 1.00 72.25 H new ATOM 498 N VAL A 37 0.089 -6.612 -2.752 1.00 23.43 N ATOM 499 CA VAL A 37 -0.343 -5.234 -2.871 1.00 3.24 C ATOM 500 C VAL A 37 0.841 -4.326 -2.580 1.00 53.31 C ATOM 501 O VAL A 37 1.554 -4.543 -1.599 1.00 74.55 O ATOM 502 CB VAL A 37 -1.503 -4.975 -1.875 1.00 42.03 C ATOM 503 CG1 VAL A 37 -1.767 -6.106 -0.883 1.00 45.43 C ATOM 504 CG2 VAL A 37 -1.730 -3.492 -1.553 1.00 52.03 C ATOM 0 H VAL A 37 0.845 -6.732 -2.077 1.00 23.43 H new ATOM 0 HA VAL A 37 -0.705 -5.029 -3.878 1.00 3.24 H new ATOM 0 HB VAL A 37 -2.468 -5.108 -2.365 1.00 42.03 H new ATOM 0 HG11 VAL A 37 -2.595 -5.831 -0.230 1.00 45.43 H new ATOM 0 HG12 VAL A 37 -2.021 -7.016 -1.427 1.00 45.43 H new ATOM 0 HG13 VAL A 37 -0.874 -6.280 -0.283 1.00 45.43 H new ATOM 0 HG21 VAL A 37 -2.558 -3.395 -0.850 1.00 52.03 H new ATOM 0 HG22 VAL A 37 -0.826 -3.073 -1.110 1.00 52.03 H new ATOM 0 HG23 VAL A 37 -1.968 -2.953 -2.470 1.00 52.03 H new ATOM 514 N LEU A 38 0.998 -3.278 -3.391 1.00 13.20 N ATOM 515 CA LEU A 38 1.745 -2.084 -3.042 1.00 70.35 C ATOM 516 C LEU A 38 0.762 -1.078 -2.479 1.00 62.43 C ATOM 517 O LEU A 38 -0.291 -0.845 -3.075 1.00 5.32 O ATOM 518 CB LEU A 38 2.386 -1.476 -4.301 1.00 71.11 C ATOM 519 CG LEU A 38 3.572 -2.244 -4.915 1.00 24.12 C ATOM 520 CD1 LEU A 38 4.053 -3.466 -4.141 1.00 23.42 C ATOM 521 CD2 LEU A 38 3.361 -2.607 -6.378 1.00 75.34 C ATOM 0 H LEU A 38 0.597 -3.242 -4.328 1.00 13.20 H new ATOM 0 HA LEU A 38 2.526 -2.331 -2.323 1.00 70.35 H new ATOM 0 HB2 LEU A 38 1.613 -1.379 -5.063 1.00 71.11 H new ATOM 0 HB3 LEU A 38 2.723 -0.468 -4.058 1.00 71.11 H new ATOM 0 HG LEU A 38 4.375 -1.511 -4.841 1.00 24.12 H new ATOM 0 HD11 LEU A 38 4.890 -3.924 -4.668 1.00 23.42 H new ATOM 0 HD12 LEU A 38 4.374 -3.162 -3.145 1.00 23.42 H new ATOM 0 HD13 LEU A 38 3.239 -4.186 -4.056 1.00 23.42 H new ATOM 0 HD21 LEU A 38 4.233 -3.146 -6.749 1.00 75.34 H new ATOM 0 HD22 LEU A 38 2.477 -3.238 -6.473 1.00 75.34 H new ATOM 0 HD23 LEU A 38 3.221 -1.697 -6.962 1.00 75.34 H new ATOM 532 N VAL A 39 1.142 -0.428 -1.384 1.00 1.24 N ATOM 533 CA VAL A 39 0.503 0.808 -0.948 1.00 13.02 C ATOM 534 C VAL A 39 1.576 1.888 -0.957 1.00 11.43 C ATOM 535 O VAL A 39 2.362 2.003 -0.010 1.00 52.33 O ATOM 536 CB VAL A 39 -0.223 0.651 0.400 1.00 12.20 C ATOM 537 CG1 VAL A 39 -0.940 1.961 0.781 1.00 25.32 C ATOM 538 CG2 VAL A 39 -1.241 -0.500 0.368 1.00 41.43 C ATOM 0 H VAL A 39 1.899 -0.742 -0.776 1.00 1.24 H new ATOM 0 HA VAL A 39 -0.298 1.095 -1.629 1.00 13.02 H new ATOM 0 HB VAL A 39 0.533 0.417 1.149 1.00 12.20 H new ATOM 0 HG11 VAL A 39 -1.448 1.833 1.737 1.00 25.32 H new ATOM 0 HG12 VAL A 39 -0.209 2.765 0.864 1.00 25.32 H new ATOM 0 HG13 VAL A 39 -1.671 2.213 0.012 1.00 25.32 H new ATOM 0 HG21 VAL A 39 -1.732 -0.578 1.338 1.00 41.43 H new ATOM 0 HG22 VAL A 39 -1.987 -0.304 -0.402 1.00 41.43 H new ATOM 0 HG23 VAL A 39 -0.726 -1.435 0.145 1.00 41.43 H new ATOM 548 N LYS A 40 1.672 2.641 -2.054 1.00 45.42 N ATOM 549 CA LYS A 40 2.623 3.735 -2.149 1.00 45.55 C ATOM 550 C LYS A 40 1.933 4.993 -1.633 1.00 61.32 C ATOM 551 O LYS A 40 0.918 5.420 -2.189 1.00 44.33 O ATOM 552 CB LYS A 40 3.098 3.892 -3.597 1.00 50.45 C ATOM 553 CG LYS A 40 4.174 4.982 -3.730 1.00 13.34 C ATOM 554 CD LYS A 40 3.939 5.962 -4.878 1.00 10.11 C ATOM 555 CE LYS A 40 3.083 7.151 -4.418 1.00 61.42 C ATOM 556 NZ LYS A 40 1.631 6.906 -4.492 1.00 54.22 N ATOM 0 H LYS A 40 1.099 2.508 -2.887 1.00 45.42 H new ATOM 0 HA LYS A 40 3.510 3.541 -1.546 1.00 45.55 H new ATOM 0 HB2 LYS A 40 3.497 2.942 -3.954 1.00 50.45 H new ATOM 0 HB3 LYS A 40 2.249 4.140 -4.233 1.00 50.45 H new ATOM 0 HG2 LYS A 40 4.225 5.541 -2.796 1.00 13.34 H new ATOM 0 HG3 LYS A 40 5.144 4.504 -3.869 1.00 13.34 H new ATOM 0 HD2 LYS A 40 4.896 6.322 -5.255 1.00 10.11 H new ATOM 0 HD3 LYS A 40 3.444 5.450 -5.703 1.00 10.11 H new ATOM 0 HE2 LYS A 40 3.348 7.400 -3.390 1.00 61.42 H new ATOM 0 HE3 LYS A 40 3.327 8.020 -5.030 1.00 61.42 H new ATOM 0 HZ1 LYS A 40 1.136 7.803 -4.671 1.00 54.22 H new ATOM 0 HZ2 LYS A 40 1.430 6.240 -5.265 1.00 54.22 H new ATOM 0 HZ3 LYS A 40 1.301 6.502 -3.592 1.00 54.22 H new ATOM 566 N ALA A 41 2.499 5.596 -0.597 1.00 45.52 N ATOM 567 CA ALA A 41 2.022 6.807 0.042 1.00 53.41 C ATOM 568 C ALA A 41 3.019 7.911 -0.280 1.00 14.41 C ATOM 569 O ALA A 41 4.223 7.748 -0.068 1.00 54.24 O ATOM 570 CB ALA A 41 1.916 6.579 1.557 1.00 31.13 C ATOM 0 H ALA A 41 3.346 5.233 -0.160 1.00 45.52 H new ATOM 0 HA ALA A 41 1.032 7.086 -0.319 1.00 53.41 H new ATOM 0 HB1 ALA A 41 1.557 7.489 2.038 1.00 31.13 H new ATOM 0 HB2 ALA A 41 1.218 5.765 1.755 1.00 31.13 H new ATOM 0 HB3 ALA A 41 2.897 6.320 1.956 1.00 31.13 H new ATOM 576 N VAL A 42 2.530 9.036 -0.793 1.00 44.33 N ATOM 577 CA VAL A 42 3.315 10.262 -0.762 1.00 51.14 C ATOM 578 C VAL A 42 3.323 10.757 0.694 1.00 63.12 C ATOM 579 O VAL A 42 2.475 10.366 1.505 1.00 45.41 O ATOM 580 CB VAL A 42 2.709 11.304 -1.730 1.00 61.13 C ATOM 581 CG1 VAL A 42 1.585 12.130 -1.105 1.00 54.22 C ATOM 582 CG2 VAL A 42 3.805 12.199 -2.328 1.00 62.05 C ATOM 0 H VAL A 42 1.611 9.123 -1.227 1.00 44.33 H new ATOM 0 HA VAL A 42 4.339 10.092 -1.093 1.00 51.14 H new ATOM 0 HB VAL A 42 2.245 10.741 -2.540 1.00 61.13 H new ATOM 0 HG11 VAL A 42 1.205 12.841 -1.838 1.00 54.22 H new ATOM 0 HG12 VAL A 42 0.779 11.468 -0.790 1.00 54.22 H new ATOM 0 HG13 VAL A 42 1.969 12.671 -0.240 1.00 54.22 H new ATOM 0 HG21 VAL A 42 3.354 12.924 -3.006 1.00 62.05 H new ATOM 0 HG22 VAL A 42 4.323 12.725 -1.526 1.00 62.05 H new ATOM 0 HG23 VAL A 42 4.518 11.584 -2.877 1.00 62.05 H new ATOM 592 N ASP A 43 4.217 11.686 1.000 1.00 13.44 N ATOM 593 CA ASP A 43 3.987 12.726 1.995 1.00 14.31 C ATOM 594 C ASP A 43 3.837 14.030 1.198 1.00 14.33 C ATOM 595 O ASP A 43 4.525 14.188 0.189 1.00 43.44 O ATOM 596 CB ASP A 43 5.226 12.741 2.901 1.00 13.54 C ATOM 597 CG ASP A 43 5.117 13.609 4.148 1.00 53.44 C ATOM 598 OD1 ASP A 43 5.269 14.846 4.023 1.00 24.24 O ATOM 599 OD2 ASP A 43 4.964 13.034 5.250 1.00 72.14 O ATOM 0 H ASP A 43 5.135 11.740 0.559 1.00 13.44 H new ATOM 0 HA ASP A 43 3.104 12.578 2.617 1.00 14.31 H new ATOM 0 HB2 ASP A 43 5.441 11.718 3.210 1.00 13.54 H new ATOM 0 HB3 ASP A 43 6.079 13.083 2.315 1.00 13.54 H new ATOM 603 N ARG A 44 3.061 15.031 1.621 1.00 45.25 N ATOM 604 CA ARG A 44 3.087 16.390 1.030 1.00 41.45 C ATOM 605 C ARG A 44 3.173 17.457 2.125 1.00 41.45 C ATOM 606 O ARG A 44 2.558 18.521 2.024 1.00 64.12 O ATOM 607 CB ARG A 44 1.951 16.624 0.004 1.00 32.43 C ATOM 608 CG ARG A 44 2.132 15.882 -1.336 1.00 13.52 C ATOM 609 CD ARG A 44 3.341 16.306 -2.190 1.00 12.22 C ATOM 610 NE ARG A 44 3.160 17.618 -2.836 1.00 50.42 N ATOM 611 CZ ARG A 44 3.331 17.925 -4.130 1.00 25.41 C ATOM 612 NH1 ARG A 44 3.816 17.050 -5.008 1.00 3.54 N ATOM 613 NH2 ARG A 44 3.004 19.144 -4.533 1.00 25.44 N ATOM 0 H ARG A 44 2.392 14.931 2.384 1.00 45.25 H new ATOM 0 HA ARG A 44 3.998 16.480 0.438 1.00 41.45 H new ATOM 0 HB2 ARG A 44 1.006 16.314 0.451 1.00 32.43 H new ATOM 0 HB3 ARG A 44 1.874 17.693 -0.195 1.00 32.43 H new ATOM 0 HG2 ARG A 44 2.217 14.815 -1.128 1.00 13.52 H new ATOM 0 HG3 ARG A 44 1.228 16.021 -1.929 1.00 13.52 H new ATOM 0 HD2 ARG A 44 4.230 16.337 -1.560 1.00 12.22 H new ATOM 0 HD3 ARG A 44 3.519 15.552 -2.956 1.00 12.22 H new ATOM 0 HE ARG A 44 2.870 18.383 -2.227 1.00 50.42 H new ATOM 0 HH11 ARG A 44 4.071 16.110 -4.704 1.00 3.54 H new ATOM 0 HH12 ARG A 44 3.932 17.319 -5.985 1.00 3.54 H new ATOM 0 HH21 ARG A 44 2.633 19.820 -3.865 1.00 25.44 H new ATOM 0 HH22 ARG A 44 3.123 19.407 -5.511 1.00 25.44 H new ATOM 624 N ARG A 45 3.918 17.176 3.192 1.00 63.13 N ATOM 625 CA ARG A 45 4.345 18.121 4.212 1.00 23.33 C ATOM 626 C ARG A 45 5.828 18.408 4.018 1.00 12.44 C ATOM 627 O ARG A 45 6.183 19.574 3.864 1.00 25.11 O ATOM 628 CB ARG A 45 4.027 17.538 5.606 1.00 14.12 C ATOM 629 CG ARG A 45 3.020 18.400 6.380 1.00 10.24 C ATOM 630 CD ARG A 45 2.146 17.542 7.300 1.00 3.51 C ATOM 631 NE ARG A 45 2.812 17.019 8.502 1.00 62.14 N ATOM 632 CZ ARG A 45 2.776 17.565 9.722 1.00 54.53 C ATOM 633 NH1 ARG A 45 2.601 18.876 9.888 1.00 25.33 N ATOM 634 NH2 ARG A 45 2.881 16.767 10.774 1.00 61.11 N ATOM 0 H ARG A 45 4.256 16.231 3.375 1.00 63.13 H new ATOM 0 HA ARG A 45 3.810 19.067 4.128 1.00 23.33 H new ATOM 0 HB2 ARG A 45 3.629 16.530 5.494 1.00 14.12 H new ATOM 0 HB3 ARG A 45 4.949 17.454 6.182 1.00 14.12 H new ATOM 0 HG2 ARG A 45 3.554 19.144 6.971 1.00 10.24 H new ATOM 0 HG3 ARG A 45 2.388 18.944 5.678 1.00 10.24 H new ATOM 0 HD2 ARG A 45 1.286 18.135 7.612 1.00 3.51 H new ATOM 0 HD3 ARG A 45 1.761 16.700 6.724 1.00 3.51 H new ATOM 0 HE ARG A 45 3.352 16.160 8.395 1.00 62.14 H new ATOM 0 HH11 ARG A 45 2.491 19.483 9.075 1.00 25.33 H new ATOM 0 HH12 ARG A 45 2.577 19.272 10.828 1.00 25.33 H new ATOM 0 HH21 ARG A 45 2.986 15.761 10.643 1.00 61.11 H new ATOM 0 HH22 ARG A 45 2.856 17.158 11.716 1.00 61.11 H new ATOM 645 N GLU A 46 6.688 17.393 4.019 1.00 44.12 N ATOM 646 CA GLU A 46 8.142 17.549 4.094 1.00 54.31 C ATOM 647 C GLU A 46 8.878 17.599 2.744 1.00 44.34 C ATOM 648 O GLU A 46 10.035 18.020 2.710 1.00 34.12 O ATOM 649 CB GLU A 46 8.716 16.395 4.926 1.00 11.12 C ATOM 650 CG GLU A 46 8.321 16.491 6.404 1.00 22.44 C ATOM 651 CD GLU A 46 9.260 15.712 7.342 1.00 64.21 C ATOM 652 OE1 GLU A 46 10.275 15.099 6.924 1.00 73.43 O ATOM 653 OE2 GLU A 46 9.008 15.749 8.568 1.00 32.01 O ATOM 0 H GLU A 46 6.390 16.419 3.967 1.00 44.12 H new ATOM 0 HA GLU A 46 8.308 18.525 4.550 1.00 54.31 H new ATOM 0 HB2 GLU A 46 8.365 15.447 4.519 1.00 11.12 H new ATOM 0 HB3 GLU A 46 9.803 16.395 4.842 1.00 11.12 H new ATOM 0 HG2 GLU A 46 8.311 17.539 6.702 1.00 22.44 H new ATOM 0 HG3 GLU A 46 7.305 16.115 6.526 1.00 22.44 H new ATOM 658 N GLY A 47 8.257 17.175 1.647 1.00 30.33 N ATOM 659 CA GLY A 47 8.846 16.871 0.349 1.00 51.15 C ATOM 660 C GLY A 47 9.010 15.364 0.078 1.00 41.42 C ATOM 661 O GLY A 47 9.552 15.018 -0.973 1.00 31.40 O ATOM 0 H GLY A 47 7.248 17.023 1.644 1.00 30.33 H new ATOM 0 HA2 GLY A 47 8.223 17.305 -0.433 1.00 51.15 H new ATOM 0 HA3 GLY A 47 9.822 17.351 0.282 1.00 51.15 H new ATOM 665 N THR A 48 8.596 14.473 0.984 1.00 54.25 N ATOM 666 CA THR A 48 8.972 13.063 1.025 1.00 30.33 C ATOM 667 C THR A 48 8.018 12.165 0.238 1.00 11.24 C ATOM 668 O THR A 48 6.925 12.563 -0.175 1.00 52.23 O ATOM 669 CB THR A 48 9.079 12.580 2.492 1.00 33.11 C ATOM 670 OG1 THR A 48 8.280 13.352 3.359 1.00 53.33 O ATOM 671 CG2 THR A 48 10.513 12.673 2.996 1.00 13.54 C ATOM 0 H THR A 48 7.962 14.730 1.741 1.00 54.25 H new ATOM 0 HA THR A 48 9.945 12.984 0.541 1.00 30.33 H new ATOM 0 HB THR A 48 8.736 11.545 2.494 1.00 33.11 H new ATOM 0 HG1 THR A 48 8.372 13.016 4.275 1.00 53.33 H new ATOM 0 HG21 THR A 48 10.559 12.328 4.029 1.00 13.54 H new ATOM 0 HG22 THR A 48 11.158 12.050 2.376 1.00 13.54 H new ATOM 0 HG23 THR A 48 10.850 13.708 2.944 1.00 13.54 H new ATOM 679 N ALA A 49 8.439 10.913 0.065 1.00 63.15 N ATOM 680 CA ALA A 49 7.738 9.858 -0.635 1.00 71.22 C ATOM 681 C ALA A 49 8.112 8.537 0.033 1.00 70.24 C ATOM 682 O ALA A 49 9.235 8.414 0.537 1.00 11.14 O ATOM 683 CB ALA A 49 8.233 9.883 -2.075 1.00 4.13 C ATOM 0 H ALA A 49 9.335 10.597 0.436 1.00 63.15 H new ATOM 0 HA ALA A 49 6.655 9.981 -0.610 1.00 71.22 H new ATOM 0 HB1 ALA A 49 7.731 9.102 -2.646 1.00 4.13 H new ATOM 0 HB2 ALA A 49 8.014 10.854 -2.518 1.00 4.13 H new ATOM 0 HB3 ALA A 49 9.309 9.711 -2.093 1.00 4.13 H new ATOM 689 N ARG A 50 7.205 7.557 0.050 1.00 25.24 N ATOM 690 CA ARG A 50 7.441 6.248 0.666 1.00 33.40 C ATOM 691 C ARG A 50 6.807 5.141 -0.174 1.00 43.55 C ATOM 692 O ARG A 50 6.036 5.425 -1.090 1.00 14.34 O ATOM 693 CB ARG A 50 6.869 6.249 2.096 1.00 3.13 C ATOM 694 CG ARG A 50 7.547 7.309 2.980 1.00 51.12 C ATOM 695 CD ARG A 50 7.274 7.071 4.464 1.00 64.13 C ATOM 696 NE ARG A 50 8.088 7.966 5.304 1.00 62.21 N ATOM 697 CZ ARG A 50 9.365 7.763 5.668 1.00 43.13 C ATOM 698 NH1 ARG A 50 10.033 6.690 5.255 1.00 31.01 N ATOM 699 NH2 ARG A 50 9.981 8.630 6.460 1.00 44.13 N ATOM 0 H ARG A 50 6.279 7.650 -0.367 1.00 25.24 H new ATOM 0 HA ARG A 50 8.513 6.057 0.713 1.00 33.40 H new ATOM 0 HB2 ARG A 50 5.796 6.439 2.059 1.00 3.13 H new ATOM 0 HB3 ARG A 50 7.003 5.264 2.542 1.00 3.13 H new ATOM 0 HG2 ARG A 50 8.622 7.297 2.802 1.00 51.12 H new ATOM 0 HG3 ARG A 50 7.189 8.299 2.699 1.00 51.12 H new ATOM 0 HD2 ARG A 50 6.217 7.233 4.673 1.00 64.13 H new ATOM 0 HD3 ARG A 50 7.493 6.033 4.715 1.00 64.13 H new ATOM 0 HE ARG A 50 7.641 8.819 5.640 1.00 62.21 H new ATOM 0 HH11 ARG A 50 9.576 6.006 4.652 1.00 31.01 H new ATOM 0 HH12 ARG A 50 11.002 6.551 5.541 1.00 31.01 H new ATOM 0 HH21 ARG A 50 9.485 9.456 6.796 1.00 44.13 H new ATOM 0 HH22 ARG A 50 10.951 8.471 6.733 1.00 44.13 H new ATOM 710 N LEU A 51 7.108 3.879 0.141 1.00 62.45 N ATOM 711 CA LEU A 51 6.351 2.725 -0.329 1.00 13.34 C ATOM 712 C LEU A 51 6.131 1.767 0.826 1.00 70.44 C ATOM 713 O LEU A 51 6.976 1.655 1.721 1.00 44.21 O ATOM 714 CB LEU A 51 7.059 1.993 -1.485 1.00 54.14 C ATOM 715 CG LEU A 51 6.225 1.992 -2.782 1.00 14.41 C ATOM 716 CD1 LEU A 51 7.054 2.366 -4.000 1.00 13.44 C ATOM 717 CD2 LEU A 51 5.646 0.613 -3.080 1.00 34.23 C ATOM 0 H LEU A 51 7.896 3.631 0.739 1.00 62.45 H new ATOM 0 HA LEU A 51 5.396 3.086 -0.711 1.00 13.34 H new ATOM 0 HB2 LEU A 51 8.021 2.468 -1.676 1.00 54.14 H new ATOM 0 HB3 LEU A 51 7.264 0.965 -1.188 1.00 54.14 H new ATOM 0 HG LEU A 51 5.437 2.725 -2.609 1.00 14.41 H new ATOM 0 HD11 LEU A 51 6.423 2.351 -4.888 1.00 13.44 H new ATOM 0 HD12 LEU A 51 7.468 3.365 -3.866 1.00 13.44 H new ATOM 0 HD13 LEU A 51 7.867 1.650 -4.121 1.00 13.44 H new ATOM 0 HD21 LEU A 51 5.065 0.654 -4.001 1.00 34.23 H new ATOM 0 HD22 LEU A 51 6.458 -0.106 -3.194 1.00 34.23 H new ATOM 0 HD23 LEU A 51 5.001 0.304 -2.258 1.00 34.23 H new ATOM 728 N PHE A 52 5.039 1.014 0.749 1.00 50.35 N ATOM 729 CA PHE A 52 4.798 -0.164 1.565 1.00 53.45 C ATOM 730 C PHE A 52 4.428 -1.299 0.622 1.00 10.54 C ATOM 731 O PHE A 52 3.787 -1.068 -0.407 1.00 21.20 O ATOM 732 CB PHE A 52 3.654 0.086 2.559 1.00 30.30 C ATOM 733 CG PHE A 52 3.815 1.307 3.446 1.00 25.02 C ATOM 734 CD1 PHE A 52 4.886 1.376 4.350 1.00 21.32 C ATOM 735 CD2 PHE A 52 2.905 2.376 3.370 1.00 3.24 C ATOM 736 CE1 PHE A 52 5.031 2.486 5.201 1.00 1.53 C ATOM 737 CE2 PHE A 52 3.100 3.524 4.159 1.00 64.02 C ATOM 738 CZ PHE A 52 4.149 3.572 5.090 1.00 33.34 C ATOM 0 H PHE A 52 4.279 1.214 0.099 1.00 50.35 H new ATOM 0 HA PHE A 52 5.688 -0.410 2.144 1.00 53.45 H new ATOM 0 HB2 PHE A 52 2.724 0.185 1.999 1.00 30.30 H new ATOM 0 HB3 PHE A 52 3.550 -0.793 3.195 1.00 30.30 H new ATOM 0 HD1 PHE A 52 5.604 0.571 4.392 1.00 21.32 H new ATOM 0 HD2 PHE A 52 2.056 2.316 2.705 1.00 3.24 H new ATOM 0 HE1 PHE A 52 5.820 2.503 5.939 1.00 1.53 H new ATOM 0 HE2 PHE A 52 2.440 4.372 4.048 1.00 64.02 H new ATOM 0 HZ PHE A 52 4.277 4.441 5.718 1.00 33.34 H new ATOM 747 N SER A 53 4.752 -2.527 1.001 1.00 23.40 N ATOM 748 CA SER A 53 4.249 -3.735 0.367 1.00 13.22 C ATOM 749 C SER A 53 3.811 -4.667 1.489 1.00 52.54 C ATOM 750 O SER A 53 4.248 -4.495 2.635 1.00 71.13 O ATOM 751 CB SER A 53 5.355 -4.346 -0.498 1.00 12.41 C ATOM 752 OG SER A 53 4.838 -5.006 -1.629 1.00 21.24 O ATOM 0 H SER A 53 5.387 -2.714 1.777 1.00 23.40 H new ATOM 0 HA SER A 53 3.403 -3.540 -0.292 1.00 13.22 H new ATOM 0 HB2 SER A 53 6.040 -3.561 -0.818 1.00 12.41 H new ATOM 0 HB3 SER A 53 5.934 -5.050 0.099 1.00 12.41 H new ATOM 0 HG SER A 53 5.575 -5.380 -2.155 1.00 21.24 H new ATOM 757 N GLU A 54 2.930 -5.622 1.189 1.00 72.53 N ATOM 758 CA GLU A 54 2.534 -6.579 2.204 1.00 65.53 C ATOM 759 C GLU A 54 3.713 -7.488 2.551 1.00 13.31 C ATOM 760 O GLU A 54 4.649 -7.671 1.762 1.00 52.03 O ATOM 761 CB GLU A 54 1.283 -7.368 1.818 1.00 43.14 C ATOM 762 CG GLU A 54 1.430 -8.273 0.595 1.00 62.43 C ATOM 763 CD GLU A 54 0.357 -9.364 0.603 1.00 42.42 C ATOM 764 OE1 GLU A 54 -0.831 -9.025 0.769 1.00 1.40 O ATOM 765 OE2 GLU A 54 0.689 -10.566 0.506 1.00 50.02 O ATOM 0 H GLU A 54 2.492 -5.747 0.277 1.00 72.53 H new ATOM 0 HA GLU A 54 2.255 -6.023 3.099 1.00 65.53 H new ATOM 0 HB2 GLU A 54 0.984 -7.981 2.668 1.00 43.14 H new ATOM 0 HB3 GLU A 54 0.473 -6.663 1.632 1.00 43.14 H new ATOM 0 HG2 GLU A 54 1.347 -7.680 -0.316 1.00 62.43 H new ATOM 0 HG3 GLU A 54 2.420 -8.729 0.589 1.00 62.43 H new ATOM 770 N ALA A 55 3.644 -8.077 3.736 1.00 64.41 N ATOM 771 CA ALA A 55 4.637 -8.958 4.315 1.00 73.42 C ATOM 772 C ALA A 55 3.890 -9.916 5.219 1.00 64.53 C ATOM 773 O ALA A 55 2.874 -9.524 5.787 1.00 71.11 O ATOM 774 CB ALA A 55 5.602 -8.113 5.134 1.00 22.41 C ATOM 0 H ALA A 55 2.843 -7.942 4.353 1.00 64.41 H new ATOM 0 HA ALA A 55 5.198 -9.505 3.557 1.00 73.42 H new ATOM 0 HB1 ALA A 55 6.360 -8.756 5.581 1.00 22.41 H new ATOM 0 HB2 ALA A 55 6.083 -7.380 4.487 1.00 22.41 H new ATOM 0 HB3 ALA A 55 5.054 -7.596 5.922 1.00 22.41 H new ATOM 780 N THR A 56 4.384 -11.134 5.388 1.00 5.43 N ATOM 781 CA THR A 56 3.676 -12.172 6.112 1.00 2.32 C ATOM 782 C THR A 56 4.678 -12.956 6.932 1.00 12.13 C ATOM 783 O THR A 56 5.685 -13.456 6.417 1.00 1.12 O ATOM 784 CB THR A 56 2.900 -13.104 5.172 1.00 70.41 C ATOM 785 OG1 THR A 56 2.967 -12.727 3.799 1.00 42.31 O ATOM 786 CG2 THR A 56 1.422 -13.119 5.557 1.00 11.04 C ATOM 0 H THR A 56 5.290 -11.428 5.024 1.00 5.43 H new ATOM 0 HA THR A 56 2.939 -11.704 6.764 1.00 2.32 H new ATOM 0 HB THR A 56 3.370 -14.081 5.284 1.00 70.41 H new ATOM 0 HG1 THR A 56 2.453 -13.364 3.259 1.00 42.31 H new ATOM 0 HG21 THR A 56 0.878 -13.783 4.885 1.00 11.04 H new ATOM 0 HG22 THR A 56 1.317 -13.474 6.582 1.00 11.04 H new ATOM 0 HG23 THR A 56 1.015 -12.111 5.479 1.00 11.04 H new ATOM 794 N ARG A 57 4.434 -13.013 8.235 1.00 61.25 N ATOM 795 CA ARG A 57 5.442 -13.504 9.153 1.00 71.42 C ATOM 796 C ARG A 57 5.375 -15.017 9.295 1.00 10.12 C ATOM 797 O ARG A 57 4.524 -15.638 8.664 1.00 54.42 O ATOM 798 CB ARG A 57 5.330 -12.681 10.422 1.00 52.32 C ATOM 799 CG ARG A 57 4.346 -13.228 11.451 1.00 52.25 C ATOM 800 CD ARG A 57 4.168 -12.205 12.574 1.00 30.13 C ATOM 801 NE ARG A 57 5.409 -11.961 13.309 1.00 44.44 N ATOM 802 CZ ARG A 57 5.507 -11.240 14.424 1.00 44.54 C ATOM 803 NH1 ARG A 57 4.428 -10.729 15.007 1.00 50.25 N ATOM 804 NH2 ARG A 57 6.717 -11.041 14.926 1.00 74.33 N ATOM 0 H ARG A 57 3.557 -12.728 8.672 1.00 61.25 H new ATOM 0 HA ARG A 57 6.457 -13.363 8.783 1.00 71.42 H new ATOM 0 HB2 ARG A 57 6.316 -12.612 10.882 1.00 52.32 H new ATOM 0 HB3 ARG A 57 5.031 -11.667 10.156 1.00 52.32 H new ATOM 0 HG2 ARG A 57 3.386 -13.437 10.978 1.00 52.25 H new ATOM 0 HG3 ARG A 57 4.713 -14.171 11.857 1.00 52.25 H new ATOM 0 HD2 ARG A 57 3.808 -11.266 12.153 1.00 30.13 H new ATOM 0 HD3 ARG A 57 3.403 -12.558 13.265 1.00 30.13 H new ATOM 0 HE ARG A 57 6.265 -12.375 12.939 1.00 44.44 H new ATOM 0 HH11 ARG A 57 3.506 -10.887 14.601 1.00 50.25 H new ATOM 0 HH12 ARG A 57 4.522 -10.179 15.861 1.00 50.25 H new ATOM 0 HH21 ARG A 57 7.534 -11.435 14.459 1.00 74.33 H new ATOM 0 HH22 ARG A 57 6.832 -10.494 15.779 1.00 74.33 H new ATOM 815 N GLY A 58 6.213 -15.608 10.146 1.00 33.40 N ATOM 816 CA GLY A 58 6.349 -17.054 10.306 1.00 10.13 C ATOM 817 C GLY A 58 5.085 -17.779 10.766 1.00 1.41 C ATOM 818 O GLY A 58 5.102 -19.006 10.857 1.00 62.34 O ATOM 0 H GLY A 58 6.833 -15.079 10.760 1.00 33.40 H new ATOM 0 HA2 GLY A 58 6.667 -17.480 9.355 1.00 10.13 H new ATOM 0 HA3 GLY A 58 7.144 -17.251 11.026 1.00 10.13 H new ATOM 822 N ASP A 59 3.996 -17.065 11.065 1.00 5.20 N ATOM 823 CA ASP A 59 2.700 -17.662 11.390 1.00 72.45 C ATOM 824 C ASP A 59 1.596 -17.254 10.415 1.00 4.04 C ATOM 825 O ASP A 59 0.430 -17.569 10.639 1.00 50.12 O ATOM 826 CB ASP A 59 2.308 -17.355 12.843 1.00 74.35 C ATOM 827 CG ASP A 59 2.079 -18.664 13.581 1.00 64.24 C ATOM 828 OD1 ASP A 59 1.083 -19.377 13.306 1.00 13.14 O ATOM 829 OD2 ASP A 59 2.952 -19.042 14.391 1.00 54.34 O ATOM 0 H ASP A 59 3.991 -16.045 11.088 1.00 5.20 H new ATOM 0 HA ASP A 59 2.813 -18.741 11.284 1.00 72.45 H new ATOM 0 HB2 ASP A 59 3.095 -16.780 13.332 1.00 74.35 H new ATOM 0 HB3 ASP A 59 1.405 -16.745 12.868 1.00 74.35 H new ATOM 833 N GLY A 60 1.934 -16.535 9.342 1.00 14.20 N ATOM 834 CA GLY A 60 0.972 -16.003 8.388 1.00 23.33 C ATOM 835 C GLY A 60 0.332 -14.695 8.852 1.00 33.55 C ATOM 836 O GLY A 60 -0.686 -14.299 8.290 1.00 12.02 O ATOM 0 H GLY A 60 2.901 -16.305 9.113 1.00 14.20 H new ATOM 0 HA2 GLY A 60 1.469 -15.839 7.432 1.00 23.33 H new ATOM 0 HA3 GLY A 60 0.190 -16.743 8.218 1.00 23.33 H new ATOM 840 N GLU A 61 0.894 -14.003 9.849 1.00 43.12 N ATOM 841 CA GLU A 61 0.358 -12.710 10.258 1.00 14.43 C ATOM 842 C GLU A 61 0.824 -11.713 9.208 1.00 22.13 C ATOM 843 O GLU A 61 2.036 -11.557 9.010 1.00 42.54 O ATOM 844 CB GLU A 61 0.876 -12.306 11.638 1.00 34.23 C ATOM 845 CG GLU A 61 0.144 -11.091 12.209 1.00 34.44 C ATOM 846 CD GLU A 61 0.676 -10.663 13.583 1.00 50.33 C ATOM 847 OE1 GLU A 61 1.903 -10.507 13.789 1.00 71.24 O ATOM 848 OE2 GLU A 61 -0.152 -10.472 14.502 1.00 33.35 O ATOM 0 H GLU A 61 1.708 -14.315 10.378 1.00 43.12 H new ATOM 0 HA GLU A 61 -0.729 -12.746 10.331 1.00 14.43 H new ATOM 0 HB2 GLU A 61 0.766 -13.146 12.323 1.00 34.23 H new ATOM 0 HB3 GLU A 61 1.941 -12.085 11.572 1.00 34.23 H new ATOM 0 HG2 GLU A 61 0.238 -10.257 11.513 1.00 34.44 H new ATOM 0 HG3 GLU A 61 -0.919 -11.319 12.292 1.00 34.44 H new ATOM 853 N ARG A 62 -0.115 -11.103 8.492 1.00 21.45 N ATOM 854 CA ARG A 62 0.214 -10.142 7.454 1.00 3.15 C ATOM 855 C ARG A 62 0.416 -8.769 8.084 1.00 43.41 C ATOM 856 O ARG A 62 -0.287 -8.409 9.032 1.00 71.01 O ATOM 857 CB ARG A 62 -0.881 -10.188 6.382 1.00 73.43 C ATOM 858 CG ARG A 62 -0.486 -9.589 5.019 1.00 45.20 C ATOM 859 CD ARG A 62 -1.115 -8.222 4.747 1.00 63.10 C ATOM 860 NE ARG A 62 -1.556 -8.111 3.349 1.00 32.15 N ATOM 861 CZ ARG A 62 -2.735 -7.657 2.929 1.00 2.32 C ATOM 862 NH1 ARG A 62 -3.518 -6.956 3.744 1.00 23.53 N ATOM 863 NH2 ARG A 62 -3.116 -7.934 1.691 1.00 44.22 N ATOM 0 H ARG A 62 -1.115 -11.261 8.616 1.00 21.45 H new ATOM 0 HA ARG A 62 1.153 -10.385 6.956 1.00 3.15 H new ATOM 0 HB2 ARG A 62 -1.179 -11.226 6.233 1.00 73.43 H new ATOM 0 HB3 ARG A 62 -1.756 -9.656 6.755 1.00 73.43 H new ATOM 0 HG2 ARG A 62 0.599 -9.496 4.973 1.00 45.20 H new ATOM 0 HG3 ARG A 62 -0.781 -10.279 4.229 1.00 45.20 H new ATOM 0 HD2 ARG A 62 -1.965 -8.070 5.413 1.00 63.10 H new ATOM 0 HD3 ARG A 62 -0.393 -7.436 4.967 1.00 63.10 H new ATOM 0 HE ARG A 62 -0.895 -8.411 2.632 1.00 32.15 H new ATOM 0 HH11 ARG A 62 -3.217 -6.762 4.699 1.00 23.53 H new ATOM 0 HH12 ARG A 62 -4.420 -6.612 3.414 1.00 23.53 H new ATOM 0 HH21 ARG A 62 -2.510 -8.484 1.082 1.00 44.22 H new ATOM 0 HH22 ARG A 62 -4.015 -7.597 1.347 1.00 44.22 H new ATOM 874 N PHE A 63 1.339 -7.986 7.544 1.00 10.32 N ATOM 875 CA PHE A 63 1.687 -6.634 7.953 1.00 31.21 C ATOM 876 C PHE A 63 2.079 -5.866 6.695 1.00 24.43 C ATOM 877 O PHE A 63 2.003 -6.404 5.583 1.00 3.31 O ATOM 878 CB PHE A 63 2.806 -6.634 9.018 1.00 45.52 C ATOM 879 CG PHE A 63 4.147 -7.267 8.664 1.00 71.34 C ATOM 880 CD1 PHE A 63 4.250 -8.674 8.615 1.00 12.40 C ATOM 881 CD2 PHE A 63 5.323 -6.487 8.518 1.00 5.52 C ATOM 882 CE1 PHE A 63 5.498 -9.294 8.449 1.00 23.41 C ATOM 883 CE2 PHE A 63 6.572 -7.118 8.404 1.00 32.34 C ATOM 884 CZ PHE A 63 6.661 -8.516 8.368 1.00 3.21 C ATOM 0 H PHE A 63 1.903 -8.301 6.754 1.00 10.32 H new ATOM 0 HA PHE A 63 0.837 -6.146 8.430 1.00 31.21 H new ATOM 0 HB2 PHE A 63 2.993 -5.598 9.302 1.00 45.52 H new ATOM 0 HB3 PHE A 63 2.422 -7.143 9.902 1.00 45.52 H new ATOM 0 HD1 PHE A 63 3.360 -9.279 8.706 1.00 12.40 H new ATOM 0 HD2 PHE A 63 5.258 -5.409 8.495 1.00 5.52 H new ATOM 0 HE1 PHE A 63 5.562 -10.370 8.384 1.00 23.41 H new ATOM 0 HE2 PHE A 63 7.470 -6.522 8.344 1.00 32.34 H new ATOM 0 HZ PHE A 63 7.625 -8.994 8.278 1.00 3.21 H new ATOM 893 N TRP A 64 2.499 -4.617 6.866 1.00 74.03 N ATOM 894 CA TRP A 64 3.055 -3.803 5.804 1.00 30.33 C ATOM 895 C TRP A 64 4.480 -3.439 6.204 1.00 12.24 C ATOM 896 O TRP A 64 4.704 -2.759 7.208 1.00 52.21 O ATOM 897 CB TRP A 64 2.171 -2.580 5.582 1.00 63.11 C ATOM 898 CG TRP A 64 0.758 -2.863 5.188 1.00 44.54 C ATOM 899 CD1 TRP A 64 -0.308 -2.858 6.018 1.00 3.13 C ATOM 900 CD2 TRP A 64 0.243 -3.206 3.872 1.00 21.22 C ATOM 901 NE1 TRP A 64 -1.447 -3.148 5.294 1.00 64.01 N ATOM 902 CE2 TRP A 64 -1.159 -3.434 3.973 1.00 73.11 C ATOM 903 CE3 TRP A 64 0.826 -3.348 2.601 1.00 1.13 C ATOM 904 CZ2 TRP A 64 -1.934 -3.836 2.870 1.00 24.25 C ATOM 905 CZ3 TRP A 64 0.065 -3.773 1.499 1.00 33.32 C ATOM 906 CH2 TRP A 64 -1.317 -4.018 1.619 1.00 72.43 C ATOM 0 H TRP A 64 2.459 -4.138 7.766 1.00 74.03 H new ATOM 0 HA TRP A 64 3.087 -4.338 4.855 1.00 30.33 H new ATOM 0 HB2 TRP A 64 2.162 -1.990 6.499 1.00 63.11 H new ATOM 0 HB3 TRP A 64 2.627 -1.961 4.809 1.00 63.11 H new ATOM 0 HD1 TRP A 64 -0.274 -2.659 7.079 1.00 3.13 H new ATOM 0 HE1 TRP A 64 -2.388 -3.151 5.687 1.00 64.01 H new ATOM 0 HE3 TRP A 64 1.875 -3.127 2.469 1.00 1.13 H new ATOM 0 HZ2 TRP A 64 -2.995 -4.004 2.983 1.00 24.25 H new ATOM 0 HZ3 TRP A 64 0.548 -3.914 0.543 1.00 33.32 H new ATOM 0 HH2 TRP A 64 -1.893 -4.340 0.764 1.00 72.43 H new ATOM 916 N MET A 65 5.447 -3.932 5.452 1.00 44.15 N ATOM 917 CA MET A 65 6.860 -3.662 5.637 1.00 51.12 C ATOM 918 C MET A 65 7.406 -2.708 4.579 1.00 11.10 C ATOM 919 O MET A 65 6.721 -2.356 3.608 1.00 11.54 O ATOM 920 CB MET A 65 7.629 -4.976 5.632 1.00 65.23 C ATOM 921 CG MET A 65 7.959 -5.549 4.246 1.00 41.14 C ATOM 922 SD MET A 65 8.767 -7.174 4.221 1.00 62.34 S ATOM 923 CE MET A 65 9.897 -6.974 5.614 1.00 63.41 C ATOM 0 H MET A 65 5.262 -4.555 4.666 1.00 44.15 H new ATOM 0 HA MET A 65 6.990 -3.167 6.599 1.00 51.12 H new ATOM 0 HB2 MET A 65 8.562 -4.832 6.177 1.00 65.23 H new ATOM 0 HB3 MET A 65 7.050 -5.717 6.183 1.00 65.23 H new ATOM 0 HG2 MET A 65 7.033 -5.618 3.675 1.00 41.14 H new ATOM 0 HG3 MET A 65 8.602 -4.839 3.726 1.00 41.14 H new ATOM 0 HE1 MET A 65 10.663 -7.748 5.575 1.00 63.41 H new ATOM 0 HE2 MET A 65 10.369 -5.993 5.561 1.00 63.41 H new ATOM 0 HE3 MET A 65 9.342 -7.060 6.548 1.00 63.41 H new ATOM 931 N GLN A 66 8.685 -2.365 4.742 1.00 2.34 N ATOM 932 CA GLN A 66 9.442 -1.551 3.820 1.00 10.32 C ATOM 933 C GLN A 66 10.490 -2.364 3.054 1.00 53.11 C ATOM 934 O GLN A 66 11.656 -2.375 3.452 1.00 11.40 O ATOM 935 CB GLN A 66 10.070 -0.361 4.566 1.00 25.44 C ATOM 936 CG GLN A 66 9.013 0.609 5.118 1.00 53.42 C ATOM 937 CD GLN A 66 9.178 2.039 4.619 1.00 72.44 C ATOM 938 OE1 GLN A 66 10.273 2.516 4.320 1.00 51.42 O ATOM 939 NE2 GLN A 66 8.086 2.751 4.415 1.00 4.44 N ATOM 0 H GLN A 66 9.231 -2.662 5.551 1.00 2.34 H new ATOM 0 HA GLN A 66 8.756 -1.163 3.067 1.00 10.32 H new ATOM 0 HB2 GLN A 66 10.682 -0.733 5.388 1.00 25.44 H new ATOM 0 HB3 GLN A 66 10.736 0.177 3.891 1.00 25.44 H new ATOM 0 HG2 GLN A 66 8.022 0.249 4.842 1.00 53.42 H new ATOM 0 HG3 GLN A 66 9.062 0.605 6.207 1.00 53.42 H new ATOM 0 HE21 GLN A 66 7.173 2.366 4.659 1.00 4.44 H new ATOM 0 HE22 GLN A 66 8.155 3.686 4.013 1.00 4.44 H new ATOM 946 N PRO A 67 10.125 -3.012 1.935 1.00 72.24 N ATOM 947 CA PRO A 67 11.096 -3.665 1.068 1.00 72.14 C ATOM 948 C PRO A 67 11.932 -2.661 0.267 1.00 1.10 C ATOM 949 O PRO A 67 13.008 -3.025 -0.203 1.00 4.51 O ATOM 950 CB PRO A 67 10.260 -4.534 0.121 1.00 73.12 C ATOM 951 CG PRO A 67 8.969 -3.730 -0.003 1.00 21.03 C ATOM 952 CD PRO A 67 8.782 -3.202 1.414 1.00 3.33 C ATOM 0 HA PRO A 67 11.812 -4.242 1.654 1.00 72.14 H new ATOM 0 HB2 PRO A 67 10.749 -4.670 -0.844 1.00 73.12 H new ATOM 0 HB3 PRO A 67 10.082 -5.528 0.531 1.00 73.12 H new ATOM 0 HG2 PRO A 67 9.060 -2.923 -0.730 1.00 21.03 H new ATOM 0 HG3 PRO A 67 8.131 -4.351 -0.320 1.00 21.03 H new ATOM 0 HD2 PRO A 67 8.224 -2.265 1.414 1.00 3.33 H new ATOM 0 HD3 PRO A 67 8.220 -3.908 2.025 1.00 3.33 H new ATOM 957 N VAL A 68 11.442 -1.436 0.029 1.00 2.22 N ATOM 958 CA VAL A 68 12.118 -0.492 -0.853 1.00 51.33 C ATOM 959 C VAL A 68 13.225 0.165 -0.040 1.00 23.11 C ATOM 960 O VAL A 68 12.960 0.900 0.914 1.00 14.52 O ATOM 961 CB VAL A 68 11.156 0.529 -1.497 1.00 11.13 C ATOM 962 CG1 VAL A 68 11.823 1.141 -2.741 1.00 43.24 C ATOM 963 CG2 VAL A 68 9.831 -0.127 -1.911 1.00 21.34 C ATOM 0 H VAL A 68 10.578 -1.081 0.439 1.00 2.22 H new ATOM 0 HA VAL A 68 12.544 -1.019 -1.707 1.00 51.33 H new ATOM 0 HB VAL A 68 10.939 1.301 -0.759 1.00 11.13 H new ATOM 0 HG11 VAL A 68 11.146 1.863 -3.199 1.00 43.24 H new ATOM 0 HG12 VAL A 68 12.746 1.643 -2.449 1.00 43.24 H new ATOM 0 HG13 VAL A 68 12.050 0.352 -3.458 1.00 43.24 H new ATOM 0 HG21 VAL A 68 9.179 0.622 -2.361 1.00 21.34 H new ATOM 0 HG22 VAL A 68 10.027 -0.918 -2.634 1.00 21.34 H new ATOM 0 HG23 VAL A 68 9.345 -0.551 -1.032 1.00 21.34 H new ATOM 973 N ARG A 69 14.477 -0.117 -0.397 1.00 51.45 N ATOM 974 CA ARG A 69 15.664 0.340 0.320 1.00 74.42 C ATOM 975 C ARG A 69 16.003 1.780 -0.087 1.00 32.33 C ATOM 976 O ARG A 69 17.158 2.092 -0.391 1.00 44.12 O ATOM 977 CB ARG A 69 16.782 -0.694 0.065 1.00 53.41 C ATOM 978 CG ARG A 69 17.783 -0.847 1.219 1.00 42.53 C ATOM 979 CD ARG A 69 18.908 0.190 1.241 1.00 72.35 C ATOM 980 NE ARG A 69 19.894 -0.180 2.264 1.00 32.23 N ATOM 981 CZ ARG A 69 21.201 0.078 2.261 1.00 74.01 C ATOM 982 NH1 ARG A 69 21.740 0.925 1.389 1.00 34.22 N ATOM 983 NH2 ARG A 69 21.958 -0.522 3.169 1.00 75.25 N ATOM 0 H ARG A 69 14.699 -0.685 -1.215 1.00 51.45 H new ATOM 0 HA ARG A 69 15.510 0.392 1.398 1.00 74.42 H new ATOM 0 HB2 ARG A 69 16.325 -1.663 -0.133 1.00 53.41 H new ATOM 0 HB3 ARG A 69 17.326 -0.408 -0.835 1.00 53.41 H new ATOM 0 HG2 ARG A 69 17.239 -0.791 2.162 1.00 42.53 H new ATOM 0 HG3 ARG A 69 18.227 -1.841 1.166 1.00 42.53 H new ATOM 0 HD2 ARG A 69 19.386 0.245 0.263 1.00 72.35 H new ATOM 0 HD3 ARG A 69 18.502 1.179 1.453 1.00 72.35 H new ATOM 0 HE ARG A 69 19.537 -0.694 3.070 1.00 32.23 H new ATOM 0 HH11 ARG A 69 21.150 1.394 0.702 1.00 34.22 H new ATOM 0 HH12 ARG A 69 22.744 1.106 1.407 1.00 34.22 H new ATOM 0 HH21 ARG A 69 21.536 -1.160 3.844 1.00 75.25 H new ATOM 0 HH22 ARG A 69 22.962 -0.345 3.193 1.00 75.25 H new ATOM 994 N SER A 70 14.992 2.645 -0.156 1.00 12.33 N ATOM 995 CA SER A 70 15.048 4.028 -0.567 1.00 34.11 C ATOM 996 C SER A 70 13.743 4.725 -0.179 1.00 13.32 C ATOM 997 O SER A 70 12.687 4.098 -0.047 1.00 41.33 O ATOM 998 CB SER A 70 15.171 4.060 -2.091 1.00 54.35 C ATOM 999 OG SER A 70 16.517 4.101 -2.506 1.00 31.31 O ATOM 0 H SER A 70 14.044 2.365 0.096 1.00 12.33 H new ATOM 0 HA SER A 70 15.891 4.528 -0.091 1.00 34.11 H new ATOM 0 HB2 SER A 70 14.687 3.179 -2.513 1.00 54.35 H new ATOM 0 HB3 SER A 70 14.644 4.931 -2.480 1.00 54.35 H new ATOM 0 HG SER A 70 16.556 4.235 -3.476 1.00 31.31 H new ATOM 1004 N THR A 71 13.808 6.050 -0.126 1.00 33.21 N ATOM 1005 CA THR A 71 12.698 7.001 -0.094 1.00 21.03 C ATOM 1006 C THR A 71 12.733 7.893 -1.352 1.00 21.42 C ATOM 1007 O THR A 71 11.967 8.851 -1.467 1.00 24.13 O ATOM 1008 CB THR A 71 12.790 7.826 1.205 1.00 1.11 C ATOM 1009 OG1 THR A 71 14.113 8.303 1.382 1.00 62.42 O ATOM 1010 CG2 THR A 71 12.412 6.993 2.432 1.00 11.34 C ATOM 0 H THR A 71 14.709 6.527 -0.102 1.00 33.21 H new ATOM 0 HA THR A 71 11.743 6.476 -0.100 1.00 21.03 H new ATOM 0 HB THR A 71 12.090 8.656 1.111 1.00 1.11 H new ATOM 0 HG1 THR A 71 14.164 8.828 2.208 1.00 62.42 H new ATOM 0 HG21 THR A 71 12.489 7.609 3.328 1.00 11.34 H new ATOM 0 HG22 THR A 71 11.389 6.633 2.326 1.00 11.34 H new ATOM 0 HG23 THR A 71 13.089 6.143 2.517 1.00 11.34 H new ATOM 1018 N PHE A 72 13.652 7.625 -2.286 1.00 60.41 N ATOM 1019 CA PHE A 72 13.819 8.349 -3.535 1.00 0.40 C ATOM 1020 C PHE A 72 12.600 8.147 -4.431 1.00 63.03 C ATOM 1021 O PHE A 72 12.330 7.029 -4.857 1.00 11.30 O ATOM 1022 CB PHE A 72 15.090 7.864 -4.262 1.00 21.24 C ATOM 1023 CG PHE A 72 16.241 8.850 -4.282 1.00 23.01 C ATOM 1024 CD1 PHE A 72 16.020 10.186 -4.666 1.00 34.03 C ATOM 1025 CD2 PHE A 72 17.545 8.427 -3.964 1.00 2.52 C ATOM 1026 CE1 PHE A 72 17.083 11.103 -4.697 1.00 24.00 C ATOM 1027 CE2 PHE A 72 18.612 9.339 -4.023 1.00 21.34 C ATOM 1028 CZ PHE A 72 18.384 10.677 -4.387 1.00 43.13 C ATOM 0 H PHE A 72 14.324 6.865 -2.181 1.00 60.41 H new ATOM 0 HA PHE A 72 13.920 9.411 -3.311 1.00 0.40 H new ATOM 0 HB2 PHE A 72 15.430 6.943 -3.789 1.00 21.24 H new ATOM 0 HB3 PHE A 72 14.828 7.616 -5.290 1.00 21.24 H new ATOM 0 HD1 PHE A 72 15.026 10.508 -4.939 1.00 34.03 H new ATOM 0 HD2 PHE A 72 17.725 7.402 -3.675 1.00 2.52 H new ATOM 0 HE1 PHE A 72 16.900 12.135 -4.959 1.00 24.00 H new ATOM 0 HE2 PHE A 72 19.613 9.010 -3.787 1.00 21.34 H new ATOM 0 HZ PHE A 72 19.207 11.375 -4.428 1.00 43.13 H new ATOM 1037 N GLU A 73 11.931 9.239 -4.784 1.00 14.40 N ATOM 1038 CA GLU A 73 10.899 9.334 -5.815 1.00 23.41 C ATOM 1039 C GLU A 73 11.133 8.410 -7.022 1.00 31.40 C ATOM 1040 O GLU A 73 10.218 7.654 -7.363 1.00 72.35 O ATOM 1041 CB GLU A 73 10.769 10.798 -6.272 1.00 64.05 C ATOM 1042 CG GLU A 73 9.407 11.379 -5.899 1.00 15.42 C ATOM 1043 CD GLU A 73 9.337 12.855 -6.279 1.00 15.24 C ATOM 1044 OE1 GLU A 73 9.539 13.184 -7.470 1.00 1.20 O ATOM 1045 OE2 GLU A 73 9.136 13.696 -5.372 1.00 31.00 O ATOM 0 H GLU A 73 12.104 10.137 -4.332 1.00 14.40 H new ATOM 0 HA GLU A 73 9.969 8.991 -5.362 1.00 23.41 H new ATOM 0 HB2 GLU A 73 11.558 11.395 -5.815 1.00 64.05 H new ATOM 0 HB3 GLU A 73 10.909 10.858 -7.351 1.00 64.05 H new ATOM 0 HG2 GLU A 73 8.617 10.828 -6.409 1.00 15.42 H new ATOM 0 HG3 GLU A 73 9.236 11.264 -4.829 1.00 15.42 H new ATOM 1050 N PRO A 74 12.303 8.435 -7.695 1.00 71.15 N ATOM 1051 CA PRO A 74 12.532 7.586 -8.856 1.00 13.20 C ATOM 1052 C PRO A 74 12.435 6.101 -8.512 1.00 64.14 C ATOM 1053 O PRO A 74 11.761 5.355 -9.220 1.00 32.42 O ATOM 1054 CB PRO A 74 13.914 7.968 -9.387 1.00 20.24 C ATOM 1055 CG PRO A 74 14.605 8.666 -8.226 1.00 11.34 C ATOM 1056 CD PRO A 74 13.436 9.340 -7.518 1.00 24.14 C ATOM 0 HA PRO A 74 11.765 7.743 -9.614 1.00 13.20 H new ATOM 0 HB2 PRO A 74 14.471 7.087 -9.706 1.00 20.24 H new ATOM 0 HB3 PRO A 74 13.836 8.626 -10.253 1.00 20.24 H new ATOM 0 HG2 PRO A 74 15.123 7.961 -7.576 1.00 11.34 H new ATOM 0 HG3 PRO A 74 15.346 9.389 -8.568 1.00 11.34 H new ATOM 0 HD2 PRO A 74 13.653 9.496 -6.461 1.00 24.14 H new ATOM 0 HD3 PRO A 74 13.228 10.320 -7.948 1.00 24.14 H new ATOM 1061 N ASP A 75 13.063 5.677 -7.410 1.00 0.31 N ATOM 1062 CA ASP A 75 13.120 4.286 -6.971 1.00 43.51 C ATOM 1063 C ASP A 75 11.714 3.791 -6.652 1.00 20.23 C ATOM 1064 O ASP A 75 11.444 2.595 -6.753 1.00 3.23 O ATOM 1065 CB ASP A 75 13.953 4.124 -5.683 1.00 60.15 C ATOM 1066 CG ASP A 75 15.460 4.326 -5.820 1.00 62.01 C ATOM 1067 OD1 ASP A 75 15.920 5.159 -6.627 1.00 34.11 O ATOM 1068 OD2 ASP A 75 16.204 3.712 -5.017 1.00 22.41 O ATOM 0 H ASP A 75 13.558 6.313 -6.784 1.00 0.31 H new ATOM 0 HA ASP A 75 13.578 3.717 -7.780 1.00 43.51 H new ATOM 0 HB2 ASP A 75 13.579 4.832 -4.943 1.00 60.15 H new ATOM 0 HB3 ASP A 75 13.777 3.124 -5.286 1.00 60.15 H new ATOM 1072 N LEU A 76 10.839 4.700 -6.217 1.00 12.33 N ATOM 1073 CA LEU A 76 9.523 4.390 -5.697 1.00 20.42 C ATOM 1074 C LEU A 76 8.557 4.078 -6.836 1.00 22.24 C ATOM 1075 O LEU A 76 7.992 2.987 -6.856 1.00 71.01 O ATOM 1076 CB LEU A 76 9.035 5.541 -4.802 1.00 43.11 C ATOM 1077 CG LEU A 76 9.803 5.617 -3.465 1.00 62.43 C ATOM 1078 CD1 LEU A 76 9.468 6.925 -2.761 1.00 44.22 C ATOM 1079 CD2 LEU A 76 9.459 4.493 -2.497 1.00 53.21 C ATOM 0 H LEU A 76 11.041 5.700 -6.221 1.00 12.33 H new ATOM 0 HA LEU A 76 9.573 3.494 -5.078 1.00 20.42 H new ATOM 0 HB2 LEU A 76 9.147 6.485 -5.336 1.00 43.11 H new ATOM 0 HB3 LEU A 76 7.972 5.414 -4.600 1.00 43.11 H new ATOM 0 HG LEU A 76 10.859 5.537 -3.725 1.00 62.43 H new ATOM 0 HD11 LEU A 76 10.010 6.979 -1.817 1.00 44.22 H new ATOM 0 HD12 LEU A 76 9.758 7.764 -3.394 1.00 44.22 H new ATOM 0 HD13 LEU A 76 8.396 6.970 -2.567 1.00 44.22 H new ATOM 0 HD21 LEU A 76 10.037 4.612 -1.581 1.00 53.21 H new ATOM 0 HD22 LEU A 76 8.395 4.528 -2.262 1.00 53.21 H new ATOM 0 HD23 LEU A 76 9.698 3.533 -2.954 1.00 53.21 H new ATOM 1090 N ASP A 77 8.384 4.988 -7.801 1.00 4.33 N ATOM 1091 CA ASP A 77 7.535 4.690 -8.967 1.00 55.51 C ATOM 1092 C ASP A 77 8.139 3.500 -9.721 1.00 61.25 C ATOM 1093 O ASP A 77 7.434 2.554 -10.073 1.00 24.32 O ATOM 1094 CB ASP A 77 7.361 5.926 -9.870 1.00 52.35 C ATOM 1095 CG ASP A 77 6.213 5.813 -10.896 1.00 51.24 C ATOM 1096 OD1 ASP A 77 5.886 4.709 -11.385 1.00 11.22 O ATOM 1097 OD2 ASP A 77 5.618 6.862 -11.232 1.00 75.54 O ATOM 0 H ASP A 77 8.808 5.916 -7.803 1.00 4.33 H new ATOM 0 HA ASP A 77 6.533 4.423 -8.632 1.00 55.51 H new ATOM 0 HB2 ASP A 77 7.184 6.798 -9.241 1.00 52.35 H new ATOM 0 HB3 ASP A 77 8.294 6.103 -10.405 1.00 52.35 H new ATOM 1101 N ALA A 78 9.477 3.469 -9.857 1.00 0.34 N ATOM 1102 CA ALA A 78 10.166 2.334 -10.458 1.00 64.11 C ATOM 1103 C ALA A 78 9.832 1.024 -9.745 1.00 62.31 C ATOM 1104 O ALA A 78 9.628 0.033 -10.439 1.00 41.34 O ATOM 1105 CB ALA A 78 11.681 2.546 -10.486 1.00 42.43 C ATOM 0 H ALA A 78 10.095 4.222 -9.556 1.00 0.34 H new ATOM 0 HA ALA A 78 9.809 2.262 -11.485 1.00 64.11 H new ATOM 0 HB1 ALA A 78 12.161 1.680 -10.941 1.00 42.43 H new ATOM 0 HB2 ALA A 78 11.913 3.437 -11.069 1.00 42.43 H new ATOM 0 HB3 ALA A 78 12.050 2.672 -9.468 1.00 42.43 H new ATOM 1111 N TYR A 79 9.756 0.995 -8.407 1.00 74.43 N ATOM 1112 CA TYR A 79 9.377 -0.198 -7.654 1.00 0.40 C ATOM 1113 C TYR A 79 7.992 -0.669 -8.080 1.00 12.01 C ATOM 1114 O TYR A 79 7.794 -1.857 -8.336 1.00 40.04 O ATOM 1115 CB TYR A 79 9.352 0.046 -6.135 1.00 4.34 C ATOM 1116 CG TYR A 79 9.138 -1.221 -5.341 1.00 63.14 C ATOM 1117 CD1 TYR A 79 7.828 -1.656 -5.077 1.00 11.21 C ATOM 1118 CD2 TYR A 79 10.234 -1.982 -4.890 1.00 42.24 C ATOM 1119 CE1 TYR A 79 7.610 -2.825 -4.344 1.00 44.35 C ATOM 1120 CE2 TYR A 79 10.022 -3.148 -4.134 1.00 42.54 C ATOM 1121 CZ TYR A 79 8.704 -3.561 -3.839 1.00 35.34 C ATOM 1122 OH TYR A 79 8.480 -4.640 -3.049 1.00 74.33 O ATOM 0 H TYR A 79 9.957 1.804 -7.819 1.00 74.43 H new ATOM 0 HA TYR A 79 10.132 -0.953 -7.872 1.00 0.40 H new ATOM 0 HB2 TYR A 79 10.292 0.506 -5.830 1.00 4.34 H new ATOM 0 HB3 TYR A 79 8.559 0.755 -5.899 1.00 4.34 H new ATOM 0 HD1 TYR A 79 6.987 -1.085 -5.442 1.00 11.21 H new ATOM 0 HD2 TYR A 79 11.240 -1.669 -5.126 1.00 42.24 H new ATOM 0 HE1 TYR A 79 6.602 -3.167 -4.163 1.00 44.35 H new ATOM 0 HE2 TYR A 79 10.863 -3.725 -3.780 1.00 42.54 H new ATOM 0 HH TYR A 79 9.337 -5.036 -2.786 1.00 74.33 H new ATOM 1131 N ALA A 80 7.025 0.253 -8.126 1.00 3.03 N ATOM 1132 CA ALA A 80 5.653 -0.087 -8.456 1.00 51.25 C ATOM 1133 C ALA A 80 5.582 -0.682 -9.862 1.00 74.53 C ATOM 1134 O ALA A 80 4.861 -1.659 -10.055 1.00 13.13 O ATOM 1135 CB ALA A 80 4.743 1.135 -8.306 1.00 42.14 C ATOM 0 H ALA A 80 7.177 1.244 -7.936 1.00 3.03 H new ATOM 0 HA ALA A 80 5.295 -0.843 -7.757 1.00 51.25 H new ATOM 0 HB1 ALA A 80 3.719 0.859 -8.558 1.00 42.14 H new ATOM 0 HB2 ALA A 80 4.780 1.492 -7.277 1.00 42.14 H new ATOM 0 HB3 ALA A 80 5.081 1.925 -8.976 1.00 42.14 H new ATOM 1141 N GLU A 81 6.345 -0.153 -10.824 1.00 1.10 N ATOM 1142 CA GLU A 81 6.456 -0.726 -12.160 1.00 0.32 C ATOM 1143 C GLU A 81 7.074 -2.123 -12.054 1.00 32.40 C ATOM 1144 O GLU A 81 6.605 -3.070 -12.694 1.00 52.05 O ATOM 1145 CB GLU A 81 7.356 0.145 -13.052 1.00 20.53 C ATOM 1146 CG GLU A 81 6.826 1.535 -13.417 1.00 42.05 C ATOM 1147 CD GLU A 81 7.840 2.238 -14.327 1.00 3.30 C ATOM 1148 OE1 GLU A 81 8.776 2.892 -13.806 1.00 40.15 O ATOM 1149 OE2 GLU A 81 7.811 2.025 -15.566 1.00 40.25 O ATOM 0 H GLU A 81 6.904 0.690 -10.692 1.00 1.10 H new ATOM 0 HA GLU A 81 5.461 -0.777 -12.602 1.00 0.32 H new ATOM 0 HB2 GLU A 81 8.316 0.268 -12.550 1.00 20.53 H new ATOM 0 HB3 GLU A 81 7.548 -0.400 -13.977 1.00 20.53 H new ATOM 0 HG2 GLU A 81 5.864 1.449 -13.922 1.00 42.05 H new ATOM 0 HG3 GLU A 81 6.661 2.123 -12.514 1.00 42.05 H new ATOM 1154 N ARG A 82 8.145 -2.233 -11.258 1.00 75.15 N ATOM 1155 CA ARG A 82 9.048 -3.371 -11.215 1.00 20.40 C ATOM 1156 C ARG A 82 8.320 -4.593 -10.705 1.00 22.33 C ATOM 1157 O ARG A 82 8.206 -5.584 -11.419 1.00 62.52 O ATOM 1158 CB ARG A 82 10.285 -3.057 -10.345 1.00 11.42 C ATOM 1159 CG ARG A 82 11.472 -4.020 -10.505 1.00 20.20 C ATOM 1160 CD ARG A 82 12.772 -3.279 -10.866 1.00 14.33 C ATOM 1161 NE ARG A 82 12.796 -2.830 -12.273 1.00 15.32 N ATOM 1162 CZ ARG A 82 13.844 -2.833 -13.108 1.00 42.02 C ATOM 1163 NH1 ARG A 82 15.056 -3.197 -12.700 1.00 72.22 N ATOM 1164 NH2 ARG A 82 13.677 -2.483 -14.376 1.00 12.24 N ATOM 0 H ARG A 82 8.410 -1.497 -10.603 1.00 75.15 H new ATOM 0 HA ARG A 82 9.399 -3.577 -12.226 1.00 20.40 H new ATOM 0 HB2 ARG A 82 10.625 -2.048 -10.579 1.00 11.42 H new ATOM 0 HB3 ARG A 82 9.980 -3.056 -9.299 1.00 11.42 H new ATOM 0 HG2 ARG A 82 11.616 -4.574 -9.578 1.00 20.20 H new ATOM 0 HG3 ARG A 82 11.244 -4.751 -11.281 1.00 20.20 H new ATOM 0 HD2 ARG A 82 12.888 -2.416 -10.211 1.00 14.33 H new ATOM 0 HD3 ARG A 82 13.623 -3.935 -10.683 1.00 14.33 H new ATOM 0 HE ARG A 82 11.916 -2.478 -12.651 1.00 15.32 H new ATOM 0 HH11 ARG A 82 15.204 -3.482 -11.732 1.00 72.22 H new ATOM 0 HH12 ARG A 82 15.838 -3.191 -13.355 1.00 72.22 H new ATOM 0 HH21 ARG A 82 12.753 -2.213 -14.713 1.00 12.24 H new ATOM 0 HH22 ARG A 82 14.473 -2.484 -15.014 1.00 12.24 H new ATOM 1175 N ALA A 83 7.809 -4.505 -9.480 1.00 23.43 N ATOM 1176 CA ALA A 83 7.093 -5.586 -8.818 1.00 60.33 C ATOM 1177 C ALA A 83 5.932 -6.057 -9.704 1.00 34.22 C ATOM 1178 O ALA A 83 5.741 -7.255 -9.920 1.00 53.14 O ATOM 1179 CB ALA A 83 6.618 -5.096 -7.444 1.00 44.35 C ATOM 0 H ALA A 83 7.884 -3.662 -8.910 1.00 23.43 H new ATOM 0 HA ALA A 83 7.746 -6.445 -8.663 1.00 60.33 H new ATOM 0 HB1 ALA A 83 6.080 -5.898 -6.938 1.00 44.35 H new ATOM 0 HB2 ALA A 83 7.480 -4.803 -6.844 1.00 44.35 H new ATOM 0 HB3 ALA A 83 5.956 -4.239 -7.572 1.00 44.35 H new ATOM 1185 N ALA A 84 5.208 -5.107 -10.304 1.00 2.02 N ATOM 1186 CA ALA A 84 4.068 -5.345 -11.183 1.00 75.41 C ATOM 1187 C ALA A 84 4.446 -5.814 -12.596 1.00 75.33 C ATOM 1188 O ALA A 84 3.649 -5.668 -13.525 1.00 62.43 O ATOM 1189 CB ALA A 84 3.205 -4.084 -11.201 1.00 40.11 C ATOM 0 H ALA A 84 5.411 -4.115 -10.184 1.00 2.02 H new ATOM 0 HA ALA A 84 3.500 -6.183 -10.779 1.00 75.41 H new ATOM 0 HB1 ALA A 84 2.346 -4.240 -11.853 1.00 40.11 H new ATOM 0 HB2 ALA A 84 2.859 -3.866 -10.191 1.00 40.11 H new ATOM 0 HB3 ALA A 84 3.794 -3.245 -11.572 1.00 40.11 H new ATOM 1195 N ARG A 85 5.644 -6.365 -12.786 1.00 63.31 N ATOM 1196 CA ARG A 85 6.014 -7.124 -13.980 1.00 44.43 C ATOM 1197 C ARG A 85 6.335 -8.575 -13.658 1.00 31.53 C ATOM 1198 O ARG A 85 6.370 -9.383 -14.585 1.00 73.35 O ATOM 1199 CB ARG A 85 7.226 -6.465 -14.640 1.00 44.05 C ATOM 1200 CG ARG A 85 6.831 -5.325 -15.575 1.00 4.02 C ATOM 1201 CD ARG A 85 8.115 -4.577 -15.919 1.00 31.40 C ATOM 1202 NE ARG A 85 7.933 -3.605 -17.005 1.00 53.25 N ATOM 1203 CZ ARG A 85 7.875 -3.890 -18.310 1.00 14.00 C ATOM 1204 NH1 ARG A 85 7.929 -5.153 -18.734 1.00 15.34 N ATOM 1205 NH2 ARG A 85 7.761 -2.910 -19.200 1.00 73.13 N ATOM 0 H ARG A 85 6.398 -6.295 -12.103 1.00 63.31 H new ATOM 0 HA ARG A 85 5.161 -7.119 -14.658 1.00 44.43 H new ATOM 0 HB2 ARG A 85 7.894 -6.083 -13.868 1.00 44.05 H new ATOM 0 HB3 ARG A 85 7.783 -7.215 -15.201 1.00 44.05 H new ATOM 0 HG2 ARG A 85 6.354 -5.711 -16.476 1.00 4.02 H new ATOM 0 HG3 ARG A 85 6.113 -4.661 -15.094 1.00 4.02 H new ATOM 0 HD2 ARG A 85 8.478 -4.059 -15.031 1.00 31.40 H new ATOM 0 HD3 ARG A 85 8.883 -5.295 -16.205 1.00 31.40 H new ATOM 0 HE ARG A 85 7.843 -2.624 -16.740 1.00 53.25 H new ATOM 0 HH11 ARG A 85 8.015 -5.914 -18.060 1.00 15.34 H new ATOM 0 HH12 ARG A 85 7.884 -5.358 -19.732 1.00 15.34 H new ATOM 0 HH21 ARG A 85 7.718 -1.940 -18.888 1.00 73.13 H new ATOM 0 HH22 ARG A 85 7.717 -3.128 -20.196 1.00 73.13 H new ATOM 1216 N ILE A 86 6.615 -8.919 -12.400 1.00 12.43 N ATOM 1217 CA ILE A 86 6.983 -10.285 -12.032 1.00 13.14 C ATOM 1218 C ILE A 86 5.896 -10.921 -11.164 1.00 24.44 C ATOM 1219 O ILE A 86 5.662 -12.123 -11.303 1.00 73.55 O ATOM 1220 CB ILE A 86 8.396 -10.370 -11.400 1.00 11.23 C ATOM 1221 CG1 ILE A 86 9.529 -9.711 -12.227 1.00 21.31 C ATOM 1222 CG2 ILE A 86 8.762 -11.855 -11.223 1.00 52.03 C ATOM 1223 CD1 ILE A 86 9.684 -8.208 -12.011 1.00 22.20 C ATOM 0 H ILE A 86 6.593 -8.266 -11.616 1.00 12.43 H new ATOM 0 HA ILE A 86 7.048 -10.872 -12.948 1.00 13.14 H new ATOM 0 HB ILE A 86 8.331 -9.820 -10.461 1.00 11.23 H new ATOM 0 HG12 ILE A 86 10.472 -10.199 -11.980 1.00 21.31 H new ATOM 0 HG13 ILE A 86 9.342 -9.895 -13.285 1.00 21.31 H new ATOM 0 HG21 ILE A 86 9.754 -11.935 -10.779 1.00 52.03 H new ATOM 0 HG22 ILE A 86 8.033 -12.334 -10.570 1.00 52.03 H new ATOM 0 HG23 ILE A 86 8.759 -12.349 -12.195 1.00 52.03 H new ATOM 0 HD11 ILE A 86 10.500 -7.834 -12.630 1.00 22.20 H new ATOM 0 HD12 ILE A 86 8.758 -7.703 -12.287 1.00 22.20 H new ATOM 0 HD13 ILE A 86 9.905 -8.012 -10.962 1.00 22.20 H new ATOM 1234 N ASP A 87 5.219 -10.175 -10.286 1.00 21.30 N ATOM 1235 CA ASP A 87 4.124 -10.768 -9.516 1.00 61.44 C ATOM 1236 C ASP A 87 3.008 -11.168 -10.477 1.00 13.04 C ATOM 1237 O ASP A 87 2.717 -10.417 -11.414 1.00 72.33 O ATOM 1238 CB ASP A 87 3.578 -9.786 -8.473 1.00 74.34 C ATOM 1239 CG ASP A 87 4.261 -9.959 -7.123 1.00 20.54 C ATOM 1240 OD1 ASP A 87 5.514 -9.972 -7.084 1.00 33.21 O ATOM 1241 OD2 ASP A 87 3.543 -10.137 -6.111 1.00 21.32 O ATOM 0 H ASP A 87 5.402 -9.190 -10.095 1.00 21.30 H new ATOM 0 HA ASP A 87 4.503 -11.642 -8.986 1.00 61.44 H new ATOM 0 HB2 ASP A 87 3.722 -8.764 -8.825 1.00 74.34 H new ATOM 0 HB3 ASP A 87 2.504 -9.936 -8.359 1.00 74.34 H new ATOM 1245 N PRO A 88 2.314 -12.288 -10.222 1.00 53.13 N ATOM 1246 CA PRO A 88 1.317 -12.808 -11.144 1.00 42.23 C ATOM 1247 C PRO A 88 0.089 -11.902 -11.173 1.00 2.03 C ATOM 1248 O PRO A 88 -0.455 -11.642 -12.245 1.00 43.11 O ATOM 1249 CB PRO A 88 0.991 -14.219 -10.644 1.00 64.33 C ATOM 1250 CG PRO A 88 1.347 -14.174 -9.158 1.00 64.12 C ATOM 1251 CD PRO A 88 2.512 -13.199 -9.106 1.00 71.42 C ATOM 0 HA PRO A 88 1.679 -12.841 -12.172 1.00 42.23 H new ATOM 0 HB2 PRO A 88 -0.060 -14.464 -10.796 1.00 64.33 H new ATOM 0 HB3 PRO A 88 1.573 -14.974 -11.172 1.00 64.33 H new ATOM 0 HG2 PRO A 88 0.508 -13.830 -8.554 1.00 64.12 H new ATOM 0 HG3 PRO A 88 1.629 -15.158 -8.782 1.00 64.12 H new ATOM 0 HD2 PRO A 88 2.529 -12.660 -8.159 1.00 71.42 H new ATOM 0 HD3 PRO A 88 3.464 -13.722 -9.192 1.00 71.42 H new ATOM 1256 N ASP A 89 -0.317 -11.379 -10.015 1.00 23.32 N ATOM 1257 CA ASP A 89 -1.482 -10.536 -9.849 1.00 71.32 C ATOM 1258 C ASP A 89 -1.261 -9.762 -8.556 1.00 64.42 C ATOM 1259 O ASP A 89 -1.511 -10.270 -7.462 1.00 0.21 O ATOM 1260 CB ASP A 89 -2.773 -11.379 -9.813 1.00 55.31 C ATOM 1261 CG ASP A 89 -3.585 -11.248 -11.103 1.00 60.52 C ATOM 1262 OD1 ASP A 89 -3.698 -10.118 -11.629 1.00 73.55 O ATOM 1263 OD2 ASP A 89 -4.130 -12.251 -11.607 1.00 14.20 O ATOM 0 H ASP A 89 0.181 -11.542 -9.140 1.00 23.32 H new ATOM 0 HA ASP A 89 -1.607 -9.850 -10.687 1.00 71.32 H new ATOM 0 HB2 ASP A 89 -2.517 -12.426 -9.652 1.00 55.31 H new ATOM 0 HB3 ASP A 89 -3.385 -11.067 -8.967 1.00 55.31 H new ATOM 1267 N ILE A 90 -0.707 -8.561 -8.679 1.00 31.50 N ATOM 1268 CA ILE A 90 -0.453 -7.623 -7.589 1.00 73.25 C ATOM 1269 C ILE A 90 -1.425 -6.439 -7.680 1.00 74.54 C ATOM 1270 O ILE A 90 -1.825 -6.028 -8.778 1.00 15.21 O ATOM 1271 CB ILE A 90 1.040 -7.219 -7.603 1.00 71.23 C ATOM 1272 CG1 ILE A 90 1.463 -6.427 -6.351 1.00 2.12 C ATOM 1273 CG2 ILE A 90 1.449 -6.485 -8.892 1.00 31.22 C ATOM 1274 CD1 ILE A 90 2.978 -6.242 -6.219 1.00 40.13 C ATOM 0 H ILE A 90 -0.408 -8.197 -9.584 1.00 31.50 H new ATOM 0 HA ILE A 90 -0.641 -8.087 -6.621 1.00 73.25 H new ATOM 0 HB ILE A 90 1.588 -8.161 -7.582 1.00 71.23 H new ATOM 0 HG12 ILE A 90 0.987 -5.447 -6.375 1.00 2.12 H new ATOM 0 HG13 ILE A 90 1.090 -6.940 -5.465 1.00 2.12 H new ATOM 0 HG21 ILE A 90 2.507 -6.227 -8.844 1.00 31.22 H new ATOM 0 HG22 ILE A 90 1.272 -7.132 -9.751 1.00 31.22 H new ATOM 0 HG23 ILE A 90 0.858 -5.575 -8.996 1.00 31.22 H new ATOM 0 HD11 ILE A 90 3.198 -5.675 -5.314 1.00 40.13 H new ATOM 0 HD12 ILE A 90 3.460 -7.218 -6.162 1.00 40.13 H new ATOM 0 HD13 ILE A 90 3.355 -5.701 -7.087 1.00 40.13 H new ATOM 1285 N TRP A 91 -1.810 -5.900 -6.524 1.00 44.21 N ATOM 1286 CA TRP A 91 -2.650 -4.730 -6.370 1.00 74.24 C ATOM 1287 C TRP A 91 -1.787 -3.477 -6.224 1.00 13.02 C ATOM 1288 O TRP A 91 -0.618 -3.548 -5.842 1.00 12.20 O ATOM 1289 CB TRP A 91 -3.468 -4.959 -5.098 1.00 4.30 C ATOM 1290 CG TRP A 91 -4.580 -5.949 -5.196 1.00 12.33 C ATOM 1291 CD1 TRP A 91 -4.454 -7.291 -5.122 1.00 51.02 C ATOM 1292 CD2 TRP A 91 -6.003 -5.687 -5.309 1.00 3.22 C ATOM 1293 NE1 TRP A 91 -5.705 -7.869 -5.150 1.00 31.11 N ATOM 1294 CE2 TRP A 91 -6.703 -6.925 -5.285 1.00 65.43 C ATOM 1295 CE3 TRP A 91 -6.771 -4.512 -5.340 1.00 12.22 C ATOM 1296 CZ2 TRP A 91 -8.104 -6.978 -5.336 1.00 4.35 C ATOM 1297 CZ3 TRP A 91 -8.178 -4.551 -5.384 1.00 53.22 C ATOM 1298 CH2 TRP A 91 -8.846 -5.787 -5.380 1.00 31.33 C ATOM 0 H TRP A 91 -1.525 -6.294 -5.627 1.00 44.21 H new ATOM 0 HA TRP A 91 -3.294 -4.585 -7.237 1.00 74.24 H new ATOM 0 HB2 TRP A 91 -2.790 -5.284 -4.309 1.00 4.30 H new ATOM 0 HB3 TRP A 91 -3.888 -4.003 -4.784 1.00 4.30 H new ATOM 0 HD1 TRP A 91 -3.519 -7.828 -5.052 1.00 51.02 H new ATOM 0 HE1 TRP A 91 -5.873 -8.873 -5.080 1.00 31.11 H new ATOM 0 HE3 TRP A 91 -6.271 -3.555 -5.330 1.00 12.22 H new ATOM 0 HZ2 TRP A 91 -8.610 -7.932 -5.341 1.00 4.35 H new ATOM 0 HZ3 TRP A 91 -8.743 -3.631 -5.421 1.00 53.22 H new ATOM 0 HH2 TRP A 91 -9.925 -5.821 -5.411 1.00 31.33 H new ATOM 1308 N VAL A 92 -2.387 -2.315 -6.458 1.00 33.52 N ATOM 1309 CA VAL A 92 -1.779 -1.011 -6.236 1.00 74.43 C ATOM 1310 C VAL A 92 -2.831 -0.183 -5.521 1.00 72.45 C ATOM 1311 O VAL A 92 -3.986 -0.179 -5.944 1.00 4.10 O ATOM 1312 CB VAL A 92 -1.401 -0.365 -7.578 1.00 32.20 C ATOM 1313 CG1 VAL A 92 -0.856 1.052 -7.427 1.00 11.40 C ATOM 1314 CG2 VAL A 92 -0.334 -1.152 -8.339 1.00 2.43 C ATOM 0 H VAL A 92 -3.339 -2.254 -6.819 1.00 33.52 H new ATOM 0 HA VAL A 92 -0.864 -1.085 -5.649 1.00 74.43 H new ATOM 0 HB VAL A 92 -2.341 -0.358 -8.129 1.00 32.20 H new ATOM 0 HG11 VAL A 92 -0.608 1.453 -8.410 1.00 11.40 H new ATOM 0 HG12 VAL A 92 -1.610 1.684 -6.957 1.00 11.40 H new ATOM 0 HG13 VAL A 92 0.040 1.033 -6.806 1.00 11.40 H new ATOM 0 HG21 VAL A 92 -0.109 -0.646 -9.278 1.00 2.43 H new ATOM 0 HG22 VAL A 92 0.571 -1.215 -7.735 1.00 2.43 H new ATOM 0 HG23 VAL A 92 -0.702 -2.157 -8.547 1.00 2.43 H new ATOM 1324 N VAL A 93 -2.427 0.513 -4.467 1.00 51.31 N ATOM 1325 CA VAL A 93 -3.259 1.401 -3.684 1.00 43.01 C ATOM 1326 C VAL A 93 -2.436 2.677 -3.522 1.00 65.21 C ATOM 1327 O VAL A 93 -1.554 2.757 -2.662 1.00 63.21 O ATOM 1328 CB VAL A 93 -3.617 0.745 -2.340 1.00 74.50 C ATOM 1329 CG1 VAL A 93 -4.599 1.611 -1.551 1.00 51.13 C ATOM 1330 CG2 VAL A 93 -4.206 -0.668 -2.473 1.00 2.11 C ATOM 0 H VAL A 93 -1.468 0.468 -4.124 1.00 51.31 H new ATOM 0 HA VAL A 93 -4.214 1.623 -4.160 1.00 43.01 H new ATOM 0 HB VAL A 93 -2.669 0.657 -1.809 1.00 74.50 H new ATOM 0 HG11 VAL A 93 -4.835 1.124 -0.605 1.00 51.13 H new ATOM 0 HG12 VAL A 93 -4.150 2.585 -1.355 1.00 51.13 H new ATOM 0 HG13 VAL A 93 -5.513 1.743 -2.129 1.00 51.13 H new ATOM 0 HG21 VAL A 93 -4.432 -1.063 -1.482 1.00 2.11 H new ATOM 0 HG22 VAL A 93 -5.120 -0.627 -3.065 1.00 2.11 H new ATOM 0 HG23 VAL A 93 -3.484 -1.318 -2.966 1.00 2.11 H new ATOM 1340 N GLU A 94 -2.682 3.651 -4.385 1.00 12.24 N ATOM 1341 CA GLU A 94 -1.983 4.919 -4.329 1.00 43.03 C ATOM 1342 C GLU A 94 -2.766 5.797 -3.372 1.00 30.54 C ATOM 1343 O GLU A 94 -3.984 5.943 -3.521 1.00 3.34 O ATOM 1344 CB GLU A 94 -1.865 5.567 -5.717 1.00 54.14 C ATOM 1345 CG GLU A 94 -1.133 4.676 -6.731 1.00 24.40 C ATOM 1346 CD GLU A 94 0.245 4.266 -6.225 1.00 71.53 C ATOM 1347 OE1 GLU A 94 0.367 3.232 -5.530 1.00 53.23 O ATOM 1348 OE2 GLU A 94 1.180 5.065 -6.456 1.00 22.41 O ATOM 0 H GLU A 94 -3.367 3.583 -5.137 1.00 12.24 H new ATOM 0 HA GLU A 94 -0.959 4.779 -3.983 1.00 43.03 H new ATOM 0 HB2 GLU A 94 -2.863 5.793 -6.093 1.00 54.14 H new ATOM 0 HB3 GLU A 94 -1.336 6.516 -5.626 1.00 54.14 H new ATOM 0 HG2 GLU A 94 -1.728 3.785 -6.930 1.00 24.40 H new ATOM 0 HG3 GLU A 94 -1.031 5.208 -7.677 1.00 24.40 H new ATOM 1353 N ILE A 95 -2.063 6.345 -2.386 1.00 62.02 N ATOM 1354 CA ILE A 95 -2.567 7.364 -1.484 1.00 23.33 C ATOM 1355 C ILE A 95 -1.766 8.618 -1.832 1.00 24.40 C ATOM 1356 O ILE A 95 -0.558 8.527 -2.113 1.00 72.05 O ATOM 1357 CB ILE A 95 -2.401 6.948 0.005 1.00 11.15 C ATOM 1358 CG1 ILE A 95 -2.558 5.436 0.284 1.00 64.11 C ATOM 1359 CG2 ILE A 95 -3.355 7.746 0.921 1.00 32.43 C ATOM 1360 CD1 ILE A 95 -3.928 4.841 -0.045 1.00 2.11 C ATOM 0 H ILE A 95 -1.097 6.081 -2.190 1.00 62.02 H new ATOM 0 HA ILE A 95 -3.638 7.527 -1.603 1.00 23.33 H new ATOM 0 HB ILE A 95 -1.364 7.192 0.236 1.00 11.15 H new ATOM 0 HG12 ILE A 95 -1.802 4.899 -0.289 1.00 64.11 H new ATOM 0 HG13 ILE A 95 -2.347 5.256 1.338 1.00 64.11 H new ATOM 0 HG21 ILE A 95 -3.214 7.432 1.955 1.00 32.43 H new ATOM 0 HG22 ILE A 95 -3.138 8.811 0.833 1.00 32.43 H new ATOM 0 HG23 ILE A 95 -4.387 7.560 0.622 1.00 32.43 H new ATOM 0 HD11 ILE A 95 -3.928 3.776 0.189 1.00 2.11 H new ATOM 0 HD12 ILE A 95 -4.694 5.342 0.547 1.00 2.11 H new ATOM 0 HD13 ILE A 95 -4.140 4.980 -1.105 1.00 2.11 H new ATOM 1371 N GLU A 96 -2.433 9.767 -1.820 1.00 34.23 N ATOM 1372 CA GLU A 96 -1.767 11.061 -1.756 1.00 23.32 C ATOM 1373 C GLU A 96 -2.306 11.801 -0.530 1.00 74.41 C ATOM 1374 O GLU A 96 -3.477 12.185 -0.488 1.00 43.51 O ATOM 1375 CB GLU A 96 -1.879 11.876 -3.059 1.00 41.35 C ATOM 1376 CG GLU A 96 -1.047 11.286 -4.208 1.00 25.01 C ATOM 1377 CD GLU A 96 -1.204 12.096 -5.498 1.00 31.02 C ATOM 1378 OE1 GLU A 96 -2.250 11.962 -6.176 1.00 3.42 O ATOM 1379 OE2 GLU A 96 -0.274 12.849 -5.888 1.00 2.42 O ATOM 0 H GLU A 96 -3.451 9.827 -1.854 1.00 34.23 H new ATOM 0 HA GLU A 96 -0.693 10.910 -1.649 1.00 23.32 H new ATOM 0 HB2 GLU A 96 -2.925 11.924 -3.362 1.00 41.35 H new ATOM 0 HB3 GLU A 96 -1.554 12.899 -2.870 1.00 41.35 H new ATOM 0 HG2 GLU A 96 0.004 11.261 -3.920 1.00 25.01 H new ATOM 0 HG3 GLU A 96 -1.353 10.255 -4.386 1.00 25.01 H new ATOM 1384 N ASP A 97 -1.461 11.965 0.491 1.00 70.12 N ATOM 1385 CA ASP A 97 -1.780 12.658 1.740 1.00 64.42 C ATOM 1386 C ASP A 97 -0.604 13.531 2.185 1.00 52.34 C ATOM 1387 O ASP A 97 0.543 13.297 1.802 1.00 25.01 O ATOM 1388 CB ASP A 97 -2.116 11.649 2.845 1.00 32.31 C ATOM 1389 CG ASP A 97 -2.356 12.392 4.156 1.00 52.21 C ATOM 1390 OD1 ASP A 97 -3.310 13.194 4.247 1.00 42.31 O ATOM 1391 OD2 ASP A 97 -1.483 12.332 5.045 1.00 30.11 O ATOM 0 H ASP A 97 -0.506 11.607 0.470 1.00 70.12 H new ATOM 0 HA ASP A 97 -2.648 13.293 1.561 1.00 64.42 H new ATOM 0 HB2 ASP A 97 -3.002 11.076 2.572 1.00 32.31 H new ATOM 0 HB3 ASP A 97 -1.299 10.937 2.962 1.00 32.31 H new ATOM 1395 N ARG A 98 -0.881 14.550 3.003 1.00 4.15 N ATOM 1396 CA ARG A 98 0.117 15.476 3.516 1.00 41.42 C ATOM 1397 C ARG A 98 1.013 14.829 4.558 1.00 45.43 C ATOM 1398 O ARG A 98 2.215 14.842 4.340 1.00 70.21 O ATOM 1399 CB ARG A 98 -0.544 16.785 3.972 1.00 50.40 C ATOM 1400 CG ARG A 98 -1.212 17.429 2.743 1.00 10.55 C ATOM 1401 CD ARG A 98 -1.535 18.915 2.909 1.00 24.45 C ATOM 1402 NE ARG A 98 -2.804 19.142 3.613 1.00 41.12 N ATOM 1403 CZ ARG A 98 -3.040 20.056 4.558 1.00 30.03 C ATOM 1404 NH1 ARG A 98 -2.061 20.810 5.059 1.00 3.35 N ATOM 1405 NH2 ARG A 98 -4.263 20.199 5.043 1.00 1.11 N ATOM 0 H ARG A 98 -1.825 14.753 3.330 1.00 4.15 H new ATOM 0 HA ARG A 98 0.794 15.746 2.706 1.00 41.42 H new ATOM 0 HB2 ARG A 98 -1.283 16.589 4.749 1.00 50.40 H new ATOM 0 HB3 ARG A 98 0.198 17.459 4.400 1.00 50.40 H new ATOM 0 HG2 ARG A 98 -0.556 17.306 1.881 1.00 10.55 H new ATOM 0 HG3 ARG A 98 -2.134 16.891 2.522 1.00 10.55 H new ATOM 0 HD2 ARG A 98 -0.728 19.399 3.458 1.00 24.45 H new ATOM 0 HD3 ARG A 98 -1.580 19.385 1.927 1.00 24.45 H new ATOM 0 HE ARG A 98 -3.585 18.540 3.354 1.00 41.12 H new ATOM 0 HH11 ARG A 98 -1.105 20.696 4.721 1.00 3.35 H new ATOM 0 HH12 ARG A 98 -2.268 21.501 5.780 1.00 3.35 H new ATOM 0 HH21 ARG A 98 -5.021 19.612 4.695 1.00 1.11 H new ATOM 0 HH22 ARG A 98 -4.447 20.896 5.765 1.00 1.11 H new ATOM 1416 N ASP A 99 0.504 14.259 5.650 1.00 23.24 N ATOM 1417 CA ASP A 99 1.350 13.732 6.738 1.00 32.13 C ATOM 1418 C ASP A 99 1.804 12.294 6.454 1.00 30.34 C ATOM 1419 O ASP A 99 1.803 11.438 7.340 1.00 25.33 O ATOM 1420 CB ASP A 99 0.651 13.863 8.104 1.00 73.42 C ATOM 1421 CG ASP A 99 1.624 13.646 9.278 1.00 45.41 C ATOM 1422 OD1 ASP A 99 2.667 14.340 9.322 1.00 44.20 O ATOM 1423 OD2 ASP A 99 1.284 12.933 10.256 1.00 71.03 O ATOM 0 H ASP A 99 -0.497 14.147 5.812 1.00 23.24 H new ATOM 0 HA ASP A 99 2.252 14.342 6.782 1.00 32.13 H new ATOM 0 HB2 ASP A 99 0.200 14.852 8.186 1.00 73.42 H new ATOM 0 HB3 ASP A 99 -0.159 13.137 8.167 1.00 73.42 H new ATOM 1427 N GLY A 100 2.134 11.994 5.194 1.00 74.35 N ATOM 1428 CA GLY A 100 2.649 10.695 4.779 1.00 32.44 C ATOM 1429 C GLY A 100 1.607 9.582 4.852 1.00 72.25 C ATOM 1430 O GLY A 100 1.961 8.405 4.736 1.00 65.24 O ATOM 0 H GLY A 100 2.048 12.660 4.426 1.00 74.35 H new ATOM 0 HA2 GLY A 100 3.021 10.769 3.757 1.00 32.44 H new ATOM 0 HA3 GLY A 100 3.498 10.430 5.409 1.00 32.44 H new ATOM 1434 N ARG A 101 0.348 9.905 5.159 1.00 10.32 N ATOM 1435 CA ARG A 101 -0.533 8.936 5.789 1.00 74.03 C ATOM 1436 C ARG A 101 -1.093 8.007 4.720 1.00 54.52 C ATOM 1437 O ARG A 101 -1.345 8.403 3.583 1.00 53.12 O ATOM 1438 CB ARG A 101 -1.597 9.677 6.625 1.00 63.34 C ATOM 1439 CG ARG A 101 -1.742 9.180 8.063 1.00 62.00 C ATOM 1440 CD ARG A 101 -2.348 7.778 8.169 1.00 52.21 C ATOM 1441 NE ARG A 101 -2.559 7.389 9.571 1.00 71.33 N ATOM 1442 CZ ARG A 101 -1.837 6.568 10.351 1.00 32.21 C ATOM 1443 NH1 ARG A 101 -0.677 6.054 9.958 1.00 65.02 N ATOM 1444 NH2 ARG A 101 -2.320 6.276 11.550 1.00 14.51 N ATOM 0 H ARG A 101 -0.073 10.817 4.982 1.00 10.32 H new ATOM 0 HA ARG A 101 0.002 8.299 6.493 1.00 74.03 H new ATOM 0 HB2 ARG A 101 -1.349 10.738 6.645 1.00 63.34 H new ATOM 0 HB3 ARG A 101 -2.561 9.585 6.125 1.00 63.34 H new ATOM 0 HG2 ARG A 101 -0.761 9.180 8.539 1.00 62.00 H new ATOM 0 HG3 ARG A 101 -2.366 9.879 8.619 1.00 62.00 H new ATOM 0 HD2 ARG A 101 -3.298 7.749 7.635 1.00 52.21 H new ATOM 0 HD3 ARG A 101 -1.689 7.057 7.685 1.00 52.21 H new ATOM 0 HE ARG A 101 -3.376 7.805 10.018 1.00 71.33 H new ATOM 0 HH11 ARG A 101 -0.306 6.279 9.035 1.00 65.02 H new ATOM 0 HH12 ARG A 101 -0.157 5.434 10.579 1.00 65.02 H new ATOM 0 HH21 ARG A 101 -3.211 6.671 11.851 1.00 14.51 H new ATOM 0 HH22 ARG A 101 -1.801 5.656 12.172 1.00 14.51 H new ATOM 1455 N HIS A 102 -1.300 6.757 5.116 1.00 72.04 N ATOM 1456 CA HIS A 102 -1.633 5.633 4.252 1.00 45.41 C ATOM 1457 C HIS A 102 -3.015 5.055 4.532 1.00 5.21 C ATOM 1458 O HIS A 102 -3.510 4.260 3.740 1.00 2.53 O ATOM 1459 CB HIS A 102 -0.608 4.530 4.504 1.00 74.31 C ATOM 1460 CG HIS A 102 -0.344 4.313 5.977 1.00 1.22 C ATOM 1461 ND1 HIS A 102 -1.176 3.673 6.874 1.00 63.04 N ATOM 1462 CD2 HIS A 102 0.804 4.652 6.641 1.00 23.24 C ATOM 1463 CE1 HIS A 102 -0.531 3.606 8.045 1.00 52.31 C ATOM 1464 NE2 HIS A 102 0.672 4.192 7.951 1.00 70.12 N ATOM 0 H HIS A 102 -1.237 6.487 6.098 1.00 72.04 H new ATOM 0 HA HIS A 102 -1.626 5.993 3.223 1.00 45.41 H new ATOM 0 HB2 HIS A 102 -0.963 3.600 4.061 1.00 74.31 H new ATOM 0 HB3 HIS A 102 0.326 4.785 4.004 1.00 74.31 H new ATOM 0 HD2 HIS A 102 1.653 5.177 6.228 1.00 23.24 H new ATOM 0 HE1 HIS A 102 -0.924 3.145 8.939 1.00 52.31 H new ATOM 0 HE2 HIS A 102 1.361 4.284 8.698 1.00 70.12 H new ATOM 1471 N PHE A 103 -3.619 5.384 5.680 1.00 61.04 N ATOM 1472 CA PHE A 103 -4.979 5.018 6.080 1.00 43.52 C ATOM 1473 C PHE A 103 -5.237 3.498 6.224 1.00 13.13 C ATOM 1474 O PHE A 103 -6.277 3.102 6.752 1.00 11.15 O ATOM 1475 CB PHE A 103 -5.965 5.775 5.173 1.00 12.54 C ATOM 1476 CG PHE A 103 -5.989 7.278 5.422 1.00 34.04 C ATOM 1477 CD1 PHE A 103 -4.960 8.112 4.933 1.00 45.34 C ATOM 1478 CD2 PHE A 103 -7.054 7.855 6.140 1.00 50.32 C ATOM 1479 CE1 PHE A 103 -5.035 9.505 5.108 1.00 61.20 C ATOM 1480 CE2 PHE A 103 -7.116 9.247 6.331 1.00 21.23 C ATOM 1481 CZ PHE A 103 -6.115 10.077 5.801 1.00 30.43 C ATOM 0 H PHE A 103 -3.146 5.942 6.391 1.00 61.04 H new ATOM 0 HA PHE A 103 -5.141 5.338 7.109 1.00 43.52 H new ATOM 0 HB2 PHE A 103 -5.702 5.592 4.131 1.00 12.54 H new ATOM 0 HB3 PHE A 103 -6.967 5.374 5.324 1.00 12.54 H new ATOM 0 HD1 PHE A 103 -4.113 7.678 4.423 1.00 45.34 H new ATOM 0 HD2 PHE A 103 -7.830 7.223 6.547 1.00 50.32 H new ATOM 0 HE1 PHE A 103 -4.258 10.139 4.707 1.00 61.20 H new ATOM 0 HE2 PHE A 103 -7.935 9.679 6.887 1.00 21.23 H new ATOM 0 HZ PHE A 103 -6.175 11.148 5.925 1.00 30.43 H new ATOM 1490 N LEU A 104 -4.264 2.640 5.885 1.00 4.43 N ATOM 1491 CA LEU A 104 -4.245 1.201 6.162 1.00 4.34 C ATOM 1492 C LEU A 104 -4.543 0.911 7.634 1.00 74.01 C ATOM 1493 O LEU A 104 -3.951 1.541 8.510 1.00 71.23 O ATOM 1494 CB LEU A 104 -2.870 0.603 5.795 1.00 10.41 C ATOM 1495 CG LEU A 104 -2.631 0.432 4.283 1.00 44.44 C ATOM 1496 CD1 LEU A 104 -1.175 0.058 3.995 1.00 3.43 C ATOM 1497 CD2 LEU A 104 -3.546 -0.674 3.752 1.00 54.12 C ATOM 0 H LEU A 104 -3.429 2.948 5.386 1.00 4.43 H new ATOM 0 HA LEU A 104 -5.022 0.740 5.552 1.00 4.34 H new ATOM 0 HB2 LEU A 104 -2.089 1.244 6.203 1.00 10.41 H new ATOM 0 HB3 LEU A 104 -2.770 -0.369 6.278 1.00 10.41 H new ATOM 0 HG LEU A 104 -2.850 1.379 3.789 1.00 44.44 H new ATOM 0 HD11 LEU A 104 -1.035 -0.056 2.920 1.00 3.43 H new ATOM 0 HD12 LEU A 104 -0.517 0.844 4.365 1.00 3.43 H new ATOM 0 HD13 LEU A 104 -0.935 -0.881 4.494 1.00 3.43 H new ATOM 0 HD21 LEU A 104 -3.381 -0.800 2.682 1.00 54.12 H new ATOM 0 HD22 LEU A 104 -3.323 -1.609 4.266 1.00 54.12 H new ATOM 0 HD23 LEU A 104 -4.586 -0.402 3.930 1.00 54.12 H new ATOM 1508 N THR A 105 -5.420 -0.058 7.898 1.00 32.02 N ATOM 1509 CA THR A 105 -6.006 -0.358 9.213 1.00 2.22 C ATOM 1510 C THR A 105 -5.093 -1.222 10.112 1.00 10.14 C ATOM 1511 O THR A 105 -5.550 -1.760 11.117 1.00 31.44 O ATOM 1512 CB THR A 105 -7.407 -0.969 8.958 1.00 13.24 C ATOM 1513 OG1 THR A 105 -8.323 -0.807 10.024 1.00 1.43 O ATOM 1514 CG2 THR A 105 -7.442 -2.454 8.578 1.00 44.31 C ATOM 0 H THR A 105 -5.760 -0.687 7.170 1.00 32.02 H new ATOM 0 HA THR A 105 -6.110 0.557 9.796 1.00 2.22 H new ATOM 0 HB THR A 105 -7.708 -0.376 8.094 1.00 13.24 H new ATOM 0 HG1 THR A 105 -9.180 -1.217 9.784 1.00 1.43 H new ATOM 0 HG21 THR A 105 -8.475 -2.766 8.425 1.00 44.31 H new ATOM 0 HG22 THR A 105 -6.877 -2.608 7.659 1.00 44.31 H new ATOM 0 HG23 THR A 105 -6.999 -3.045 9.380 1.00 44.31 H new ATOM 1522 N GLU A 106 -3.823 -1.412 9.747 1.00 51.50 N ATOM 1523 CA GLU A 106 -2.988 -2.528 10.198 1.00 23.12 C ATOM 1524 C GLU A 106 -1.614 -2.031 10.649 1.00 1.22 C ATOM 1525 O GLU A 106 -1.267 -0.876 10.362 1.00 63.20 O ATOM 1526 CB GLU A 106 -2.854 -3.514 9.030 1.00 34.22 C ATOM 1527 CG GLU A 106 -4.113 -4.354 8.841 1.00 63.22 C ATOM 1528 CD GLU A 106 -4.358 -5.522 9.811 1.00 13.43 C ATOM 1529 OE1 GLU A 106 -3.974 -5.510 11.003 1.00 42.10 O ATOM 1530 OE2 GLU A 106 -4.988 -6.506 9.353 1.00 23.12 O ATOM 0 H GLU A 106 -3.335 -0.779 9.114 1.00 51.50 H new ATOM 0 HA GLU A 106 -3.448 -3.020 11.055 1.00 23.12 H new ATOM 0 HB2 GLU A 106 -2.645 -2.963 8.113 1.00 34.22 H new ATOM 0 HB3 GLU A 106 -2.003 -4.172 9.207 1.00 34.22 H new ATOM 0 HG2 GLU A 106 -4.972 -3.685 8.901 1.00 63.22 H new ATOM 0 HG3 GLU A 106 -4.094 -4.759 7.829 1.00 63.22 H new ATOM 1535 N PRO A 107 -0.833 -2.867 11.360 1.00 45.40 N ATOM 1536 CA PRO A 107 0.492 -2.493 11.806 1.00 31.45 C ATOM 1537 C PRO A 107 1.434 -2.448 10.600 1.00 34.03 C ATOM 1538 O PRO A 107 1.409 -3.325 9.725 1.00 54.42 O ATOM 1539 CB PRO A 107 0.894 -3.533 12.850 1.00 63.02 C ATOM 1540 CG PRO A 107 0.156 -4.788 12.396 1.00 64.24 C ATOM 1541 CD PRO A 107 -1.109 -4.251 11.733 1.00 44.53 C ATOM 0 HA PRO A 107 0.532 -1.501 12.256 1.00 31.45 H new ATOM 0 HB2 PRO A 107 1.973 -3.686 12.871 1.00 63.02 H new ATOM 0 HB3 PRO A 107 0.595 -3.232 13.854 1.00 63.02 H new ATOM 0 HG2 PRO A 107 0.755 -5.373 11.698 1.00 64.24 H new ATOM 0 HG3 PRO A 107 -0.080 -5.439 13.238 1.00 64.24 H new ATOM 0 HD2 PRO A 107 -1.367 -4.844 10.856 1.00 44.53 H new ATOM 0 HD3 PRO A 107 -1.957 -4.306 12.416 1.00 44.53 H new ATOM 1546 N VAL A 108 2.239 -1.393 10.547 1.00 33.11 N ATOM 1547 CA VAL A 108 3.077 -1.050 9.428 1.00 64.14 C ATOM 1548 C VAL A 108 4.398 -0.466 9.908 1.00 62.25 C ATOM 1549 O VAL A 108 4.419 0.434 10.756 1.00 34.24 O ATOM 1550 CB VAL A 108 2.291 -0.153 8.467 1.00 3.32 C ATOM 1551 CG1 VAL A 108 1.580 1.065 9.054 1.00 3.41 C ATOM 1552 CG2 VAL A 108 3.193 0.313 7.318 1.00 30.21 C ATOM 0 H VAL A 108 2.321 -0.732 11.320 1.00 33.11 H new ATOM 0 HA VAL A 108 3.354 -1.939 8.862 1.00 64.14 H new ATOM 0 HB VAL A 108 1.485 -0.807 8.134 1.00 3.32 H new ATOM 0 HG11 VAL A 108 1.066 1.605 8.259 1.00 3.41 H new ATOM 0 HG12 VAL A 108 0.854 0.739 9.799 1.00 3.41 H new ATOM 0 HG13 VAL A 108 2.312 1.722 9.524 1.00 3.41 H new ATOM 0 HG21 VAL A 108 2.622 0.950 6.642 1.00 30.21 H new ATOM 0 HG22 VAL A 108 4.035 0.875 7.722 1.00 30.21 H new ATOM 0 HG23 VAL A 108 3.564 -0.554 6.772 1.00 30.21 H new ATOM 1562 N GLU A 109 5.494 -1.021 9.386 1.00 64.04 N ATOM 1563 CA GLU A 109 6.843 -0.593 9.692 1.00 71.32 C ATOM 1564 C GLU A 109 7.109 0.774 9.048 1.00 64.04 C ATOM 1565 O GLU A 109 6.282 1.296 8.295 1.00 50.34 O ATOM 1566 CB GLU A 109 7.778 -1.689 9.170 1.00 73.34 C ATOM 1567 CG GLU A 109 7.793 -2.924 10.080 1.00 50.42 C ATOM 1568 CD GLU A 109 9.215 -3.344 10.438 1.00 2.53 C ATOM 1569 OE1 GLU A 109 9.850 -4.008 9.590 1.00 21.10 O ATOM 1570 OE2 GLU A 109 9.654 -3.080 11.581 1.00 3.41 O ATOM 0 H GLU A 109 5.458 -1.797 8.725 1.00 64.04 H new ATOM 0 HA GLU A 109 7.006 -0.461 10.762 1.00 71.32 H new ATOM 0 HB2 GLU A 109 7.466 -1.983 8.168 1.00 73.34 H new ATOM 0 HB3 GLU A 109 8.789 -1.291 9.085 1.00 73.34 H new ATOM 0 HG2 GLU A 109 7.236 -2.711 10.992 1.00 50.42 H new ATOM 0 HG3 GLU A 109 7.284 -3.749 9.582 1.00 50.42 H new ATOM 1575 N SER A 110 8.271 1.349 9.324 1.00 30.01 N ATOM 1576 CA SER A 110 8.791 2.577 8.733 1.00 11.53 C ATOM 1577 C SER A 110 10.281 2.338 8.563 1.00 11.22 C ATOM 1578 O SER A 110 10.899 1.850 9.534 1.00 63.15 O ATOM 1579 CB SER A 110 8.460 3.776 9.644 1.00 12.12 C ATOM 1580 OG SER A 110 8.577 4.997 8.932 1.00 71.32 O ATOM 0 H SER A 110 8.915 0.948 10.006 1.00 30.01 H new ATOM 0 HA SER A 110 8.344 2.819 7.769 1.00 11.53 H new ATOM 0 HB2 SER A 110 7.448 3.673 10.035 1.00 12.12 H new ATOM 0 HB3 SER A 110 9.133 3.784 10.501 1.00 12.12 H new ATOM 0 HG SER A 110 8.361 5.745 9.527 1.00 71.32 H new