USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 MET CE :methyl -145:sc= 0 (180deg=-0.00231) USER MOD Set 2.1: A 56 THR OG1 : rot -160:sc= -0.389 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.247 K(o=-0.64,f=-4) USER MOD Set 3.1: A 11 MET CE :methyl -108:sc= -0.163 (180deg=0) USER MOD Set 3.2: A 97 ASN : amide:sc= -0.0443 X(o=-0.21,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 177:sc= 0.832 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.75 X(o=-3.7,f=-3.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -22:sc= 1.19 USER MOD Single : A 65 CYS SG : rot 70:sc= 0.427 USER MOD Single : A 68 GLN : amide:sc=-0.000706 X(o=-0.00071,f=-0.00074) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 136:sc= -0.396 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 74:sc= 0.0176 USER MOD Single : A 88 LYS NZ :NH3+ -129:sc= -0.814 (180deg=-4.18!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 108 ASN : amide:sc=-0.000263 X(o=-0.00026,f=0) USER MOD Single : A 110 TYR OH : rot 30:sc= -0.566 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.5!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 6.229 3.956 -3.338 1.00 11.41 N ATOM 23 CA LEU A 4 6.505 3.548 -4.712 1.00 2.44 C ATOM 24 C LEU A 4 6.935 2.086 -4.769 1.00 63.42 C ATOM 25 O LEU A 4 8.097 1.780 -5.040 1.00 55.00 O ATOM 26 CB LEU A 4 7.592 4.436 -5.319 1.00 53.42 C ATOM 27 CG LEU A 4 7.609 4.527 -6.846 1.00 34.42 C ATOM 28 CD1 LEU A 4 7.761 5.972 -7.293 1.00 42.24 C ATOM 29 CD2 LEU A 4 8.728 3.668 -7.418 1.00 22.13 C ATOM 0 HA LEU A 4 5.588 3.660 -5.290 1.00 2.44 H new ATOM 0 HB2 LEU A 4 7.478 5.442 -4.916 1.00 53.42 H new ATOM 0 HB3 LEU A 4 8.562 4.067 -4.986 1.00 53.42 H new ATOM 0 HG LEU A 4 6.659 4.150 -7.225 1.00 34.42 H new ATOM 0 HD11 LEU A 4 7.771 6.017 -8.382 1.00 42.24 H new ATOM 0 HD12 LEU A 4 6.925 6.560 -6.913 1.00 42.24 H new ATOM 0 HD13 LEU A 4 8.696 6.377 -6.905 1.00 42.24 H new ATOM 0 HD21 LEU A 4 8.726 3.744 -8.505 1.00 22.13 H new ATOM 0 HD22 LEU A 4 9.687 4.015 -7.032 1.00 22.13 H new ATOM 0 HD23 LEU A 4 8.574 2.629 -7.127 1.00 22.13 H new ATOM 41 N LYS A 5 5.991 1.186 -4.516 1.00 2.14 N ATOM 42 CA LYS A 5 6.270 -0.244 -4.541 1.00 51.34 C ATOM 43 C LYS A 5 6.817 -0.667 -5.901 1.00 52.33 C ATOM 44 O LYS A 5 6.402 -0.148 -6.937 1.00 2.23 O ATOM 45 CB LYS A 5 5.002 -1.039 -4.221 1.00 15.34 C ATOM 46 CG LYS A 5 4.878 -1.422 -2.757 1.00 31.33 C ATOM 47 CD LYS A 5 5.092 -2.912 -2.550 1.00 44.14 C ATOM 48 CE LYS A 5 4.673 -3.348 -1.155 1.00 12.43 C ATOM 49 NZ LYS A 5 3.468 -4.222 -1.185 1.00 73.23 N ATOM 0 H LYS A 5 5.025 1.423 -4.291 1.00 2.14 H new ATOM 0 HA LYS A 5 7.024 -0.455 -3.783 1.00 51.34 H new ATOM 0 HB2 LYS A 5 4.131 -0.450 -4.509 1.00 15.34 H new ATOM 0 HB3 LYS A 5 4.988 -1.945 -4.827 1.00 15.34 H new ATOM 0 HG2 LYS A 5 5.608 -0.864 -2.171 1.00 31.33 H new ATOM 0 HG3 LYS A 5 3.891 -1.141 -2.389 1.00 31.33 H new ATOM 0 HD2 LYS A 5 4.521 -3.469 -3.293 1.00 44.14 H new ATOM 0 HD3 LYS A 5 6.143 -3.155 -2.708 1.00 44.14 H new ATOM 0 HE2 LYS A 5 5.496 -3.881 -0.679 1.00 12.43 H new ATOM 0 HE3 LYS A 5 4.468 -2.468 -0.546 1.00 12.43 H new ATOM 0 HZ1 LYS A 5 3.215 -4.497 -0.215 1.00 73.23 H new ATOM 0 HZ2 LYS A 5 2.675 -3.705 -1.616 1.00 73.23 H new ATOM 0 HZ3 LYS A 5 3.671 -5.074 -1.745 1.00 73.23 H new ATOM 63 N SER A 6 7.750 -1.614 -5.891 1.00 73.31 N ATOM 64 CA SER A 6 8.355 -2.106 -7.123 1.00 44.31 C ATOM 65 C SER A 6 7.423 -3.083 -7.834 1.00 5.24 C ATOM 66 O SER A 6 7.087 -2.897 -9.003 1.00 11.32 O ATOM 67 CB SER A 6 9.693 -2.784 -6.824 1.00 44.45 C ATOM 68 OG SER A 6 10.776 -1.899 -7.055 1.00 75.42 O ATOM 0 H SER A 6 8.103 -2.056 -5.042 1.00 73.31 H new ATOM 0 HA SER A 6 8.527 -1.253 -7.780 1.00 44.31 H new ATOM 0 HB2 SER A 6 9.710 -3.121 -5.788 1.00 44.45 H new ATOM 0 HB3 SER A 6 9.803 -3.670 -7.450 1.00 44.45 H new ATOM 0 HG SER A 6 11.620 -2.355 -6.855 1.00 75.42 H new ATOM 74 N ARG A 7 7.011 -4.124 -7.118 1.00 65.23 N ATOM 75 CA ARG A 7 6.120 -5.132 -7.679 1.00 44.21 C ATOM 76 C ARG A 7 4.827 -4.495 -8.181 1.00 52.14 C ATOM 77 O ARG A 7 4.264 -4.922 -9.190 1.00 23.32 O ATOM 78 CB ARG A 7 5.802 -6.202 -6.633 1.00 51.42 C ATOM 79 CG ARG A 7 5.214 -7.473 -7.222 1.00 52.30 C ATOM 80 CD ARG A 7 4.584 -8.346 -6.147 1.00 30.15 C ATOM 81 NE ARG A 7 3.127 -8.358 -6.236 1.00 74.34 N ATOM 82 CZ ARG A 7 2.335 -8.820 -5.273 1.00 61.32 C ATOM 83 NH1 ARG A 7 2.859 -9.302 -4.154 1.00 41.42 N ATOM 84 NH2 ARG A 7 1.018 -8.798 -5.428 1.00 40.00 N ATOM 0 H ARG A 7 7.280 -4.291 -6.148 1.00 65.23 H new ATOM 0 HA ARG A 7 6.627 -5.599 -8.523 1.00 44.21 H new ATOM 0 HB2 ARG A 7 6.714 -6.451 -6.091 1.00 51.42 H new ATOM 0 HB3 ARG A 7 5.102 -5.791 -5.906 1.00 51.42 H new ATOM 0 HG2 ARG A 7 4.463 -7.216 -7.969 1.00 52.30 H new ATOM 0 HG3 ARG A 7 5.996 -8.033 -7.735 1.00 52.30 H new ATOM 0 HD2 ARG A 7 4.961 -9.364 -6.240 1.00 30.15 H new ATOM 0 HD3 ARG A 7 4.884 -7.984 -5.164 1.00 30.15 H new ATOM 0 HE ARG A 7 2.693 -7.992 -7.083 1.00 74.34 H new ATOM 0 HH11 ARG A 7 3.871 -9.319 -4.031 1.00 41.42 H new ATOM 0 HH12 ARG A 7 2.250 -9.656 -3.417 1.00 41.42 H new ATOM 0 HH21 ARG A 7 0.612 -8.426 -6.287 1.00 40.00 H new ATOM 0 HH22 ARG A 7 0.411 -9.153 -4.689 1.00 40.00 H new ATOM 98 N ASP A 8 4.362 -3.474 -7.470 1.00 74.20 N ATOM 99 CA ASP A 8 3.136 -2.779 -7.843 1.00 41.53 C ATOM 100 C ASP A 8 3.350 -1.929 -9.092 1.00 70.34 C ATOM 101 O ASP A 8 2.739 -2.172 -10.132 1.00 54.41 O ATOM 102 CB ASP A 8 2.652 -1.898 -6.689 1.00 62.15 C ATOM 103 CG ASP A 8 2.144 -2.711 -5.516 1.00 34.34 C ATOM 104 OD1 ASP A 8 2.279 -2.241 -4.365 1.00 43.43 O ATOM 105 OD2 ASP A 8 1.610 -3.816 -5.745 1.00 52.14 O ATOM 0 H ASP A 8 4.815 -3.109 -6.632 1.00 74.20 H new ATOM 0 HA ASP A 8 2.376 -3.529 -8.062 1.00 41.53 H new ATOM 0 HB2 ASP A 8 3.469 -1.257 -6.357 1.00 62.15 H new ATOM 0 HB3 ASP A 8 1.857 -1.242 -7.045 1.00 62.15 H new ATOM 110 N TRP A 9 4.223 -0.934 -8.981 1.00 41.13 N ATOM 111 CA TRP A 9 4.518 -0.048 -10.101 1.00 41.54 C ATOM 112 C TRP A 9 4.896 -0.848 -11.343 1.00 13.33 C ATOM 113 O TRP A 9 4.501 -0.506 -12.458 1.00 51.14 O ATOM 114 CB TRP A 9 5.650 0.912 -9.734 1.00 41.00 C ATOM 115 CG TRP A 9 5.818 2.034 -10.713 1.00 22.13 C ATOM 116 CD1 TRP A 9 6.974 2.413 -11.334 1.00 1.12 C ATOM 117 CD2 TRP A 9 4.798 2.922 -11.182 1.00 23.11 C ATOM 118 NE1 TRP A 9 6.733 3.485 -12.160 1.00 65.11 N ATOM 119 CE2 TRP A 9 5.407 3.815 -12.086 1.00 21.22 C ATOM 120 CE3 TRP A 9 3.430 3.049 -10.928 1.00 24.12 C ATOM 121 CZ2 TRP A 9 4.693 4.820 -12.733 1.00 54.54 C ATOM 122 CZ3 TRP A 9 2.723 4.047 -11.572 1.00 13.13 C ATOM 123 CH2 TRP A 9 3.355 4.921 -12.466 1.00 4.44 C ATOM 0 H TRP A 9 4.739 -0.721 -8.127 1.00 41.13 H new ATOM 0 HA TRP A 9 3.620 0.528 -10.322 1.00 41.54 H new ATOM 0 HB2 TRP A 9 5.458 1.328 -8.745 1.00 41.00 H new ATOM 0 HB3 TRP A 9 6.584 0.353 -9.669 1.00 41.00 H new ATOM 0 HD1 TRP A 9 7.935 1.940 -11.196 1.00 1.12 H new ATOM 0 HE1 TRP A 9 7.430 3.958 -12.735 1.00 65.11 H new ATOM 0 HE3 TRP A 9 2.934 2.380 -10.241 1.00 24.12 H new ATOM 0 HZ2 TRP A 9 5.178 5.496 -13.421 1.00 54.54 H new ATOM 0 HZ3 TRP A 9 1.665 4.155 -11.383 1.00 13.13 H new ATOM 0 HH2 TRP A 9 2.774 5.690 -12.954 1.00 4.44 H new ATOM 134 N LYS A 10 5.662 -1.915 -11.144 1.00 42.21 N ATOM 135 CA LYS A 10 6.093 -2.765 -12.247 1.00 72.54 C ATOM 136 C LYS A 10 4.921 -3.565 -12.806 1.00 70.45 C ATOM 137 O LYS A 10 4.864 -3.847 -14.004 1.00 35.33 O ATOM 138 CB LYS A 10 7.199 -3.716 -11.784 1.00 21.12 C ATOM 139 CG LYS A 10 7.942 -4.387 -12.927 1.00 62.40 C ATOM 140 CD LYS A 10 9.441 -4.154 -12.830 1.00 54.40 C ATOM 141 CE LYS A 10 10.095 -5.131 -11.866 1.00 24.13 C ATOM 142 NZ LYS A 10 11.314 -5.755 -12.452 1.00 12.11 N ATOM 0 H LYS A 10 5.997 -2.212 -10.228 1.00 42.21 H new ATOM 0 HA LYS A 10 6.482 -2.123 -13.037 1.00 72.54 H new ATOM 0 HB2 LYS A 10 7.912 -3.161 -11.174 1.00 21.12 H new ATOM 0 HB3 LYS A 10 6.763 -4.484 -11.145 1.00 21.12 H new ATOM 0 HG2 LYS A 10 7.738 -5.458 -12.916 1.00 62.40 H new ATOM 0 HG3 LYS A 10 7.574 -4.002 -13.878 1.00 62.40 H new ATOM 0 HD2 LYS A 10 9.891 -4.259 -13.817 1.00 54.40 H new ATOM 0 HD3 LYS A 10 9.631 -3.133 -12.500 1.00 54.40 H new ATOM 0 HE2 LYS A 10 10.360 -4.611 -10.945 1.00 24.13 H new ATOM 0 HE3 LYS A 10 9.381 -5.910 -11.598 1.00 24.13 H new ATOM 0 HZ1 LYS A 10 11.731 -6.415 -11.765 1.00 12.11 H new ATOM 0 HZ2 LYS A 10 11.058 -6.273 -13.317 1.00 12.11 H new ATOM 0 HZ3 LYS A 10 12.006 -5.014 -12.684 1.00 12.11 H new ATOM 156 N MET A 11 3.987 -3.929 -11.933 1.00 21.33 N ATOM 157 CA MET A 11 2.816 -4.694 -12.341 1.00 74.24 C ATOM 158 C MET A 11 1.834 -3.817 -13.110 1.00 71.22 C ATOM 159 O MET A 11 1.469 -4.125 -14.245 1.00 65.10 O ATOM 160 CB MET A 11 2.125 -5.302 -11.118 1.00 23.24 C ATOM 161 CG MET A 11 0.852 -6.061 -11.454 1.00 15.01 C ATOM 162 SD MET A 11 0.652 -7.555 -10.463 1.00 45.22 S ATOM 163 CE MET A 11 -0.463 -6.969 -9.189 1.00 64.13 C ATOM 0 H MET A 11 4.019 -3.706 -10.938 1.00 21.33 H new ATOM 0 HA MET A 11 3.149 -5.497 -12.998 1.00 74.24 H new ATOM 0 HB2 MET A 11 2.819 -5.977 -10.617 1.00 23.24 H new ATOM 0 HB3 MET A 11 1.888 -4.506 -10.412 1.00 23.24 H new ATOM 0 HG2 MET A 11 -0.007 -5.409 -11.298 1.00 15.01 H new ATOM 0 HG3 MET A 11 0.861 -6.329 -12.511 1.00 15.01 H new ATOM 0 HE1 MET A 11 0.078 -6.876 -8.247 1.00 64.13 H new ATOM 0 HE2 MET A 11 -0.864 -5.996 -9.475 1.00 64.13 H new ATOM 0 HE3 MET A 11 -1.282 -7.678 -9.069 1.00 64.13 H new ATOM 173 N ALA A 12 1.409 -2.724 -12.485 1.00 61.24 N ATOM 174 CA ALA A 12 0.470 -1.801 -13.112 1.00 63.23 C ATOM 175 C ALA A 12 1.004 -1.303 -14.452 1.00 55.51 C ATOM 176 O ALA A 12 0.289 -1.309 -15.456 1.00 32.55 O ATOM 177 CB ALA A 12 0.184 -0.628 -12.186 1.00 71.53 C ATOM 0 H ALA A 12 1.700 -2.456 -11.545 1.00 61.24 H new ATOM 0 HA ALA A 12 -0.461 -2.337 -13.297 1.00 63.23 H new ATOM 0 HB1 ALA A 12 -0.518 0.053 -12.667 1.00 71.53 H new ATOM 0 HB2 ALA A 12 -0.247 -0.996 -11.255 1.00 71.53 H new ATOM 0 HB3 ALA A 12 1.113 -0.099 -11.971 1.00 71.53 H new ATOM 183 N ILE A 13 2.260 -0.871 -14.460 1.00 73.21 N ATOM 184 CA ILE A 13 2.886 -0.370 -15.676 1.00 3.11 C ATOM 185 C ILE A 13 3.004 -1.469 -16.727 1.00 44.41 C ATOM 186 O ILE A 13 2.832 -1.222 -17.922 1.00 31.14 O ATOM 187 CB ILE A 13 4.287 0.205 -15.392 1.00 52.04 C ATOM 188 CG1 ILE A 13 4.179 1.475 -14.545 1.00 2.32 C ATOM 189 CG2 ILE A 13 5.016 0.492 -16.696 1.00 75.31 C ATOM 190 CD1 ILE A 13 3.505 2.624 -15.263 1.00 15.10 C ATOM 0 H ILE A 13 2.864 -0.858 -13.638 1.00 73.21 H new ATOM 0 HA ILE A 13 2.245 0.426 -16.056 1.00 3.11 H new ATOM 0 HB ILE A 13 4.861 -0.534 -14.833 1.00 52.04 H new ATOM 0 HG12 ILE A 13 3.623 1.249 -13.635 1.00 2.32 H new ATOM 0 HG13 ILE A 13 5.178 1.784 -14.239 1.00 2.32 H new ATOM 0 HG21 ILE A 13 6.004 0.898 -16.479 1.00 75.31 H new ATOM 0 HG22 ILE A 13 5.120 -0.432 -17.266 1.00 75.31 H new ATOM 0 HG23 ILE A 13 4.447 1.216 -17.279 1.00 75.31 H new ATOM 0 HD11 ILE A 13 3.463 3.491 -14.603 1.00 15.10 H new ATOM 0 HD12 ILE A 13 4.073 2.877 -16.158 1.00 15.10 H new ATOM 0 HD13 ILE A 13 2.493 2.333 -15.545 1.00 15.10 H new ATOM 202 N LYS A 14 3.297 -2.683 -16.275 1.00 54.11 N ATOM 203 CA LYS A 14 3.434 -3.822 -17.175 1.00 25.42 C ATOM 204 C LYS A 14 2.158 -4.034 -17.983 1.00 63.55 C ATOM 205 O LYS A 14 2.211 -4.317 -19.181 1.00 62.10 O ATOM 206 CB LYS A 14 3.765 -5.088 -16.382 1.00 12.23 C ATOM 207 CG LYS A 14 3.689 -6.361 -17.206 1.00 44.55 C ATOM 208 CD LYS A 14 4.614 -7.436 -16.661 1.00 14.00 C ATOM 209 CE LYS A 14 6.028 -7.280 -17.197 1.00 0.04 C ATOM 210 NZ LYS A 14 6.998 -8.138 -16.461 1.00 32.44 N ATOM 0 H LYS A 14 3.444 -2.904 -15.290 1.00 54.11 H new ATOM 0 HA LYS A 14 4.250 -3.610 -17.867 1.00 25.42 H new ATOM 0 HB2 LYS A 14 4.768 -4.994 -15.966 1.00 12.23 H new ATOM 0 HB3 LYS A 14 3.078 -5.169 -15.540 1.00 12.23 H new ATOM 0 HG2 LYS A 14 2.664 -6.731 -17.211 1.00 44.55 H new ATOM 0 HG3 LYS A 14 3.954 -6.142 -18.240 1.00 44.55 H new ATOM 0 HD2 LYS A 14 4.629 -7.386 -15.572 1.00 14.00 H new ATOM 0 HD3 LYS A 14 4.228 -8.419 -16.930 1.00 14.00 H new ATOM 0 HE2 LYS A 14 6.046 -7.538 -18.256 1.00 0.04 H new ATOM 0 HE3 LYS A 14 6.333 -6.237 -17.118 1.00 0.04 H new ATOM 0 HZ1 LYS A 14 7.950 -8.003 -16.856 1.00 32.44 H new ATOM 0 HZ2 LYS A 14 7.000 -7.875 -15.455 1.00 32.44 H new ATOM 0 HZ3 LYS A 14 6.721 -9.136 -16.557 1.00 32.44 H new ATOM 224 N ARG A 15 1.014 -3.895 -17.323 1.00 21.43 N ATOM 225 CA ARG A 15 -0.275 -4.071 -17.980 1.00 22.12 C ATOM 226 C ARG A 15 -0.707 -2.786 -18.681 1.00 61.04 C ATOM 227 O ARG A 15 -1.375 -2.826 -19.715 1.00 10.41 O ATOM 228 CB ARG A 15 -1.337 -4.492 -16.963 1.00 31.01 C ATOM 229 CG ARG A 15 -1.217 -5.942 -16.524 1.00 21.12 C ATOM 230 CD ARG A 15 -1.824 -6.887 -17.548 1.00 41.23 C ATOM 231 NE ARG A 15 -1.044 -8.114 -17.691 1.00 14.24 N ATOM 232 CZ ARG A 15 -1.007 -9.071 -16.770 1.00 22.34 C ATOM 233 NH1 ARG A 15 -1.701 -8.944 -15.647 1.00 1.20 N ATOM 234 NH2 ARG A 15 -0.274 -10.159 -16.971 1.00 44.40 N ATOM 0 H ARG A 15 0.953 -3.661 -16.332 1.00 21.43 H new ATOM 0 HA ARG A 15 -0.169 -4.856 -18.729 1.00 22.12 H new ATOM 0 HB2 ARG A 15 -1.264 -3.848 -16.086 1.00 31.01 H new ATOM 0 HB3 ARG A 15 -2.325 -4.332 -17.395 1.00 31.01 H new ATOM 0 HG2 ARG A 15 -0.167 -6.192 -16.375 1.00 21.12 H new ATOM 0 HG3 ARG A 15 -1.716 -6.075 -15.564 1.00 21.12 H new ATOM 0 HD2 ARG A 15 -2.842 -7.137 -17.251 1.00 41.23 H new ATOM 0 HD3 ARG A 15 -1.888 -6.384 -18.513 1.00 41.23 H new ATOM 0 HE ARG A 15 -0.499 -8.243 -18.543 1.00 14.24 H new ATOM 0 HH11 ARG A 15 -2.266 -8.110 -15.488 1.00 1.20 H new ATOM 0 HH12 ARG A 15 -1.670 -9.681 -14.942 1.00 1.20 H new ATOM 0 HH21 ARG A 15 0.262 -10.261 -17.833 1.00 44.40 H new ATOM 0 HH22 ARG A 15 -0.246 -10.893 -16.263 1.00 44.40 H new ATOM 248 N CYS A 16 -0.323 -1.650 -18.111 1.00 2.32 N ATOM 249 CA CYS A 16 -0.672 -0.353 -18.680 1.00 62.01 C ATOM 250 C CYS A 16 0.014 -0.147 -20.027 1.00 24.51 C ATOM 251 O CYS A 16 -0.422 0.666 -20.841 1.00 15.35 O ATOM 252 CB CYS A 16 -0.283 0.771 -17.719 1.00 71.00 C ATOM 253 SG CYS A 16 -1.478 1.053 -16.390 1.00 63.32 S ATOM 0 H CYS A 16 0.230 -1.600 -17.255 1.00 2.32 H new ATOM 0 HA CYS A 16 -1.751 -0.331 -18.835 1.00 62.01 H new ATOM 0 HB2 CYS A 16 0.686 0.538 -17.278 1.00 71.00 H new ATOM 0 HB3 CYS A 16 -0.162 1.694 -18.286 1.00 71.00 H new ATOM 0 HG CYS A 16 -1.027 1.972 -15.589 1.00 63.32 H new ATOM 259 N SER A 17 1.094 -0.889 -20.254 1.00 42.40 N ATOM 260 CA SER A 17 1.845 -0.783 -21.499 1.00 74.24 C ATOM 261 C SER A 17 0.966 -1.138 -22.696 1.00 31.32 C ATOM 262 O SER A 17 1.274 -0.782 -23.832 1.00 51.31 O ATOM 263 CB SER A 17 3.069 -1.702 -21.461 1.00 1.42 C ATOM 264 OG SER A 17 4.190 -1.084 -22.070 1.00 15.32 O ATOM 0 H SER A 17 1.468 -1.569 -19.592 1.00 42.40 H new ATOM 0 HA SER A 17 2.177 0.249 -21.607 1.00 74.24 H new ATOM 0 HB2 SER A 17 3.306 -1.955 -20.428 1.00 1.42 H new ATOM 0 HB3 SER A 17 2.842 -2.637 -21.974 1.00 1.42 H new ATOM 0 HG SER A 17 4.959 -1.690 -22.031 1.00 15.32 H new ATOM 270 N ASN A 18 -0.128 -1.842 -22.429 1.00 35.12 N ATOM 271 CA ASN A 18 -1.053 -2.246 -23.482 1.00 73.50 C ATOM 272 C ASN A 18 -2.211 -1.260 -23.597 1.00 73.04 C ATOM 273 O ASN A 18 -3.311 -1.624 -24.015 1.00 63.03 O ATOM 274 CB ASN A 18 -1.590 -3.652 -23.207 1.00 32.32 C ATOM 275 CG ASN A 18 -0.618 -4.736 -23.629 1.00 61.43 C ATOM 276 OD1 ASN A 18 -0.881 -5.492 -24.564 1.00 73.02 O ATOM 277 ND2 ASN A 18 0.514 -4.817 -22.940 1.00 65.43 N ATOM 0 H ASN A 18 -0.396 -2.145 -21.493 1.00 35.12 H new ATOM 0 HA ASN A 18 -0.509 -2.251 -24.426 1.00 73.50 H new ATOM 0 HB2 ASN A 18 -1.804 -3.754 -22.143 1.00 32.32 H new ATOM 0 HB3 ASN A 18 -2.533 -3.788 -23.736 1.00 32.32 H new ATOM 0 HD21 ASN A 18 1.207 -5.527 -23.179 1.00 65.43 H new ATOM 0 HD22 ASN A 18 0.691 -4.169 -22.172 1.00 65.43 H new ATOM 284 N VAL A 19 -1.957 -0.011 -23.224 1.00 32.43 N ATOM 285 CA VAL A 19 -2.977 1.029 -23.287 1.00 32.24 C ATOM 286 C VAL A 19 -2.734 1.967 -24.462 1.00 43.33 C ATOM 287 O VAL A 19 -1.591 2.273 -24.799 1.00 65.41 O ATOM 288 CB VAL A 19 -3.020 1.853 -21.986 1.00 30.41 C ATOM 289 CG1 VAL A 19 -4.057 2.960 -22.089 1.00 3.10 C ATOM 290 CG2 VAL A 19 -3.306 0.952 -20.794 1.00 31.32 C ATOM 0 H VAL A 19 -1.053 0.306 -22.875 1.00 32.43 H new ATOM 0 HA VAL A 19 -3.934 0.525 -23.421 1.00 32.24 H new ATOM 0 HB VAL A 19 -2.044 2.315 -21.837 1.00 30.41 H new ATOM 0 HG11 VAL A 19 -4.073 3.531 -21.161 1.00 3.10 H new ATOM 0 HG12 VAL A 19 -3.803 3.621 -22.918 1.00 3.10 H new ATOM 0 HG13 VAL A 19 -5.040 2.523 -22.263 1.00 3.10 H new ATOM 0 HG21 VAL A 19 -3.333 1.551 -19.884 1.00 31.32 H new ATOM 0 HG22 VAL A 19 -4.268 0.459 -20.933 1.00 31.32 H new ATOM 0 HG23 VAL A 19 -2.522 0.199 -20.710 1.00 31.32 H new ATOM 300 N ALA A 20 -3.817 2.422 -25.083 1.00 42.43 N ATOM 301 CA ALA A 20 -3.722 3.329 -26.221 1.00 13.01 C ATOM 302 C ALA A 20 -4.420 4.652 -25.928 1.00 2.55 C ATOM 303 O ALA A 20 -5.330 4.717 -25.101 1.00 52.43 O ATOM 304 CB ALA A 20 -4.315 2.681 -27.464 1.00 21.15 C ATOM 0 H ALA A 20 -4.771 2.177 -24.817 1.00 42.43 H new ATOM 0 HA ALA A 20 -2.667 3.537 -26.401 1.00 13.01 H new ATOM 0 HB1 ALA A 20 -4.237 3.369 -28.306 1.00 21.15 H new ATOM 0 HB2 ALA A 20 -3.769 1.765 -27.693 1.00 21.15 H new ATOM 0 HB3 ALA A 20 -5.364 2.443 -27.285 1.00 21.15 H new ATOM 310 N VAL A 21 -3.987 5.708 -26.610 1.00 24.53 N ATOM 311 CA VAL A 21 -4.571 7.031 -26.423 1.00 22.32 C ATOM 312 C VAL A 21 -5.771 7.237 -27.339 1.00 0.40 C ATOM 313 O VAL A 21 -6.661 8.034 -27.045 1.00 33.32 O ATOM 314 CB VAL A 21 -3.539 8.143 -26.690 1.00 71.20 C ATOM 315 CG1 VAL A 21 -2.906 7.966 -28.062 1.00 1.45 C ATOM 316 CG2 VAL A 21 -4.188 9.514 -26.565 1.00 71.24 C ATOM 0 H VAL A 21 -3.234 5.673 -27.297 1.00 24.53 H new ATOM 0 HA VAL A 21 -4.896 7.089 -25.384 1.00 22.32 H new ATOM 0 HB VAL A 21 -2.751 8.070 -25.941 1.00 71.20 H new ATOM 0 HG11 VAL A 21 -2.180 8.761 -28.233 1.00 1.45 H new ATOM 0 HG12 VAL A 21 -2.404 7.000 -28.109 1.00 1.45 H new ATOM 0 HG13 VAL A 21 -3.680 8.011 -28.828 1.00 1.45 H new ATOM 0 HG21 VAL A 21 -3.444 10.287 -26.757 1.00 71.24 H new ATOM 0 HG22 VAL A 21 -4.997 9.601 -27.290 1.00 71.24 H new ATOM 0 HG23 VAL A 21 -4.588 9.637 -25.558 1.00 71.24 H new ATOM 396 N LYS A 28 -3.176 6.176 -32.075 1.00 50.51 N ATOM 397 CA LYS A 28 -1.937 6.350 -31.326 1.00 44.34 C ATOM 398 C LYS A 28 -1.988 5.583 -30.009 1.00 25.55 C ATOM 399 O LYS A 28 -3.054 5.402 -29.423 1.00 53.50 O ATOM 400 CB LYS A 28 -1.684 7.835 -31.055 1.00 51.23 C ATOM 401 CG LYS A 28 -1.257 8.613 -32.288 1.00 21.04 C ATOM 402 CD LYS A 28 0.086 9.292 -32.079 1.00 63.11 C ATOM 403 CE LYS A 28 1.230 8.289 -32.116 1.00 12.22 C ATOM 404 NZ LYS A 28 2.188 8.580 -33.218 1.00 23.35 N ATOM 0 HA LYS A 28 -1.119 5.953 -31.927 1.00 44.34 H new ATOM 0 HB2 LYS A 28 -2.592 8.282 -30.650 1.00 51.23 H new ATOM 0 HB3 LYS A 28 -0.913 7.930 -30.290 1.00 51.23 H new ATOM 0 HG2 LYS A 28 -1.196 7.939 -33.142 1.00 21.04 H new ATOM 0 HG3 LYS A 28 -2.012 9.362 -32.526 1.00 21.04 H new ATOM 0 HD2 LYS A 28 0.237 10.047 -32.851 1.00 63.11 H new ATOM 0 HD3 LYS A 28 0.087 9.811 -31.121 1.00 63.11 H new ATOM 0 HE2 LYS A 28 1.758 8.305 -31.162 1.00 12.22 H new ATOM 0 HE3 LYS A 28 0.828 7.284 -32.241 1.00 12.22 H new ATOM 0 HZ1 LYS A 28 2.952 7.875 -33.209 1.00 23.35 H new ATOM 0 HZ2 LYS A 28 1.690 8.540 -34.130 1.00 23.35 H new ATOM 0 HZ3 LYS A 28 2.592 9.529 -33.085 1.00 23.35 H new ATOM 418 N LYS A 29 -0.825 5.135 -29.546 1.00 1.02 N ATOM 419 CA LYS A 29 -0.734 4.390 -28.296 1.00 72.24 C ATOM 420 C LYS A 29 -0.375 5.314 -27.137 1.00 11.14 C ATOM 421 O LYS A 29 0.022 6.461 -27.343 1.00 41.44 O ATOM 422 CB LYS A 29 0.308 3.276 -28.416 1.00 1.31 C ATOM 423 CG LYS A 29 -0.266 1.883 -28.228 1.00 71.13 C ATOM 424 CD LYS A 29 0.236 0.924 -29.294 1.00 2.11 C ATOM 425 CE LYS A 29 1.671 0.496 -29.029 1.00 33.43 C ATOM 426 NZ LYS A 29 1.750 -0.559 -27.980 1.00 64.32 N ATOM 0 H LYS A 29 0.068 5.275 -30.019 1.00 1.02 H new ATOM 0 HA LYS A 29 -1.709 3.946 -28.095 1.00 72.24 H new ATOM 0 HB2 LYS A 29 0.780 3.336 -29.397 1.00 1.31 H new ATOM 0 HB3 LYS A 29 1.090 3.440 -27.675 1.00 1.31 H new ATOM 0 HG2 LYS A 29 0.006 1.507 -27.242 1.00 71.13 H new ATOM 0 HG3 LYS A 29 -1.354 1.929 -28.263 1.00 71.13 H new ATOM 0 HD2 LYS A 29 -0.407 0.044 -29.325 1.00 2.11 H new ATOM 0 HD3 LYS A 29 0.172 1.400 -30.272 1.00 2.11 H new ATOM 0 HE2 LYS A 29 2.116 0.124 -29.952 1.00 33.43 H new ATOM 0 HE3 LYS A 29 2.257 1.361 -28.719 1.00 33.43 H new ATOM 0 HZ1 LYS A 29 2.744 -0.824 -27.828 1.00 64.32 H new ATOM 0 HZ2 LYS A 29 1.349 -0.196 -27.092 1.00 64.32 H new ATOM 0 HZ3 LYS A 29 1.212 -1.395 -28.287 1.00 64.32 H new ATOM 440 N PHE A 30 -0.515 4.807 -25.916 1.00 60.52 N ATOM 441 CA PHE A 30 -0.204 5.587 -24.724 1.00 61.23 C ATOM 442 C PHE A 30 1.164 5.206 -24.167 1.00 21.31 C ATOM 443 O PHE A 30 1.290 4.262 -23.388 1.00 13.23 O ATOM 444 CB PHE A 30 -1.278 5.375 -23.656 1.00 54.34 C ATOM 445 CG PHE A 30 -2.041 6.624 -23.317 1.00 43.43 C ATOM 446 CD1 PHE A 30 -3.426 6.625 -23.308 1.00 54.53 C ATOM 447 CD2 PHE A 30 -1.372 7.798 -23.008 1.00 35.01 C ATOM 448 CE1 PHE A 30 -4.132 7.773 -22.997 1.00 73.14 C ATOM 449 CE2 PHE A 30 -2.072 8.948 -22.695 1.00 44.25 C ATOM 450 CZ PHE A 30 -3.454 8.936 -22.691 1.00 61.43 C ATOM 0 H PHE A 30 -0.842 3.860 -25.727 1.00 60.52 H new ATOM 0 HA PHE A 30 -0.183 6.640 -25.005 1.00 61.23 H new ATOM 0 HB2 PHE A 30 -1.978 4.614 -24.002 1.00 54.34 H new ATOM 0 HB3 PHE A 30 -0.808 4.989 -22.751 1.00 54.34 H new ATOM 0 HD1 PHE A 30 -3.961 5.718 -23.547 1.00 54.53 H new ATOM 0 HD2 PHE A 30 -0.292 7.814 -23.012 1.00 35.01 H new ATOM 0 HE1 PHE A 30 -5.212 7.760 -22.994 1.00 73.14 H new ATOM 0 HE2 PHE A 30 -1.539 9.856 -22.454 1.00 44.25 H new ATOM 0 HZ PHE A 30 -4.002 9.834 -22.449 1.00 61.43 H new ATOM 460 N GLY A 31 2.190 5.949 -24.572 1.00 45.21 N ATOM 461 CA GLY A 31 3.536 5.675 -24.105 1.00 52.12 C ATOM 462 C GLY A 31 3.685 5.882 -22.611 1.00 10.45 C ATOM 463 O GLY A 31 2.796 6.436 -21.964 1.00 20.01 O ATOM 0 H GLY A 31 2.112 6.736 -25.216 1.00 45.21 H new ATOM 0 HA2 GLY A 31 3.802 4.648 -24.355 1.00 52.12 H new ATOM 0 HA3 GLY A 31 4.238 6.322 -24.630 1.00 52.12 H new ATOM 467 N GLU A 32 4.811 5.437 -22.062 1.00 53.01 N ATOM 468 CA GLU A 32 5.069 5.576 -20.634 1.00 65.55 C ATOM 469 C GLU A 32 5.117 7.047 -20.230 1.00 54.22 C ATOM 470 O GLU A 32 4.557 7.438 -19.207 1.00 21.13 O ATOM 471 CB GLU A 32 6.388 4.892 -20.264 1.00 54.11 C ATOM 472 CG GLU A 32 7.578 5.389 -21.067 1.00 3.02 C ATOM 473 CD GLU A 32 8.706 4.377 -21.126 1.00 1.21 C ATOM 474 OE1 GLU A 32 9.484 4.413 -22.102 1.00 40.43 O ATOM 475 OE2 GLU A 32 8.810 3.549 -20.197 1.00 45.05 O ATOM 0 H GLU A 32 5.558 4.978 -22.584 1.00 53.01 H new ATOM 0 HA GLU A 32 4.253 5.095 -20.095 1.00 65.55 H new ATOM 0 HB2 GLU A 32 6.584 5.050 -19.204 1.00 54.11 H new ATOM 0 HB3 GLU A 32 6.284 3.817 -20.412 1.00 54.11 H new ATOM 0 HG2 GLU A 32 7.254 5.626 -22.080 1.00 3.02 H new ATOM 0 HG3 GLU A 32 7.948 6.315 -20.626 1.00 3.02 H new ATOM 482 N GLY A 33 5.789 7.857 -21.042 1.00 10.02 N ATOM 483 CA GLY A 33 5.897 9.275 -20.752 1.00 70.44 C ATOM 484 C GLY A 33 4.544 9.945 -20.623 1.00 11.12 C ATOM 485 O GLY A 33 4.345 10.793 -19.754 1.00 22.45 O ATOM 0 H GLY A 33 6.260 7.557 -21.895 1.00 10.02 H new ATOM 0 HA2 GLY A 33 6.456 9.412 -19.827 1.00 70.44 H new ATOM 0 HA3 GLY A 33 6.466 9.762 -21.544 1.00 70.44 H new ATOM 489 N ASN A 34 3.612 9.564 -21.489 1.00 45.33 N ATOM 490 CA ASN A 34 2.271 10.137 -21.469 1.00 51.11 C ATOM 491 C ASN A 34 1.527 9.735 -20.198 1.00 3.50 C ATOM 492 O ASN A 34 1.029 10.589 -19.463 1.00 72.44 O ATOM 493 CB ASN A 34 1.481 9.684 -22.700 1.00 24.44 C ATOM 494 CG ASN A 34 2.026 10.276 -23.986 1.00 10.22 C ATOM 495 OD1 ASN A 34 1.873 11.470 -24.246 1.00 23.41 O ATOM 496 ND2 ASN A 34 2.664 9.441 -24.798 1.00 54.11 N ATOM 0 H ASN A 34 3.760 8.861 -22.213 1.00 45.33 H new ATOM 0 HA ASN A 34 2.367 11.223 -21.486 1.00 51.11 H new ATOM 0 HB2 ASN A 34 1.506 8.596 -22.765 1.00 24.44 H new ATOM 0 HB3 ASN A 34 0.436 9.972 -22.584 1.00 24.44 H new ATOM 0 HD21 ASN A 34 3.051 9.782 -25.678 1.00 54.11 H new ATOM 0 HD22 ASN A 34 2.767 8.459 -24.541 1.00 54.11 H new ATOM 503 N PHE A 35 1.456 8.433 -19.947 1.00 24.12 N ATOM 504 CA PHE A 35 0.774 7.918 -18.766 1.00 63.35 C ATOM 505 C PHE A 35 1.426 8.442 -17.489 1.00 4.31 C ATOM 506 O PHE A 35 0.790 8.508 -16.438 1.00 14.22 O ATOM 507 CB PHE A 35 0.789 6.387 -18.768 1.00 5.23 C ATOM 508 CG PHE A 35 -0.572 5.775 -18.924 1.00 15.51 C ATOM 509 CD1 PHE A 35 -0.970 4.721 -18.116 1.00 43.12 C ATOM 510 CD2 PHE A 35 -1.457 6.254 -19.878 1.00 74.45 C ATOM 511 CE1 PHE A 35 -2.223 4.155 -18.258 1.00 34.05 C ATOM 512 CE2 PHE A 35 -2.712 5.692 -20.023 1.00 74.52 C ATOM 513 CZ PHE A 35 -3.094 4.641 -19.212 1.00 51.25 C ATOM 0 H PHE A 35 1.863 7.714 -20.546 1.00 24.12 H new ATOM 0 HA PHE A 35 -0.259 8.264 -18.795 1.00 63.35 H new ATOM 0 HB2 PHE A 35 1.430 6.039 -19.578 1.00 5.23 H new ATOM 0 HB3 PHE A 35 1.232 6.035 -17.837 1.00 5.23 H new ATOM 0 HD1 PHE A 35 -0.293 4.338 -17.367 1.00 43.12 H new ATOM 0 HD2 PHE A 35 -1.163 7.075 -20.515 1.00 74.45 H new ATOM 0 HE1 PHE A 35 -2.520 3.333 -17.623 1.00 34.05 H new ATOM 0 HE2 PHE A 35 -3.393 6.074 -20.769 1.00 74.52 H new ATOM 0 HZ PHE A 35 -4.073 4.200 -19.324 1.00 51.25 H new ATOM 523 N ARG A 36 2.698 8.813 -17.592 1.00 11.24 N ATOM 524 CA ARG A 36 3.436 9.330 -16.446 1.00 5.13 C ATOM 525 C ARG A 36 3.001 10.755 -16.115 1.00 54.30 C ATOM 526 O ARG A 36 2.805 11.099 -14.949 1.00 50.55 O ATOM 527 CB ARG A 36 4.941 9.298 -16.725 1.00 15.42 C ATOM 528 CG ARG A 36 5.672 8.184 -15.993 1.00 44.52 C ATOM 529 CD ARG A 36 6.787 7.597 -16.845 1.00 13.41 C ATOM 530 NE ARG A 36 7.756 6.856 -16.042 1.00 53.24 N ATOM 531 CZ ARG A 36 8.956 6.498 -16.486 1.00 75.31 C ATOM 532 NH1 ARG A 36 9.332 6.811 -17.718 1.00 32.12 N ATOM 533 NH2 ARG A 36 9.782 5.824 -15.695 1.00 30.12 N ATOM 0 H ARG A 36 3.238 8.765 -18.456 1.00 11.24 H new ATOM 0 HA ARG A 36 3.217 8.693 -15.589 1.00 5.13 H new ATOM 0 HB2 ARG A 36 5.101 9.183 -17.797 1.00 15.42 H new ATOM 0 HB3 ARG A 36 5.376 10.256 -16.439 1.00 15.42 H new ATOM 0 HG2 ARG A 36 6.088 8.570 -15.063 1.00 44.52 H new ATOM 0 HG3 ARG A 36 4.966 7.399 -15.724 1.00 44.52 H new ATOM 0 HD2 ARG A 36 6.358 6.935 -17.598 1.00 13.41 H new ATOM 0 HD3 ARG A 36 7.296 8.399 -17.379 1.00 13.41 H new ATOM 0 HE ARG A 36 7.498 6.600 -15.089 1.00 53.24 H new ATOM 0 HH11 ARG A 36 8.699 7.328 -18.328 1.00 32.12 H new ATOM 0 HH12 ARG A 36 10.254 6.535 -18.056 1.00 32.12 H new ATOM 0 HH21 ARG A 36 9.495 5.581 -14.747 1.00 30.12 H new ATOM 0 HH22 ARG A 36 10.703 5.549 -16.036 1.00 30.12 H new ATOM 547 N TRP A 37 2.851 11.577 -17.147 1.00 41.23 N ATOM 548 CA TRP A 37 2.438 12.963 -16.966 1.00 0.25 C ATOM 549 C TRP A 37 1.016 13.042 -16.422 1.00 33.54 C ATOM 550 O TRP A 37 0.698 13.916 -15.615 1.00 50.43 O ATOM 551 CB TRP A 37 2.533 13.723 -18.290 1.00 45.11 C ATOM 552 CG TRP A 37 1.816 15.039 -18.274 1.00 32.22 C ATOM 553 CD1 TRP A 37 2.365 16.268 -18.044 1.00 14.22 C ATOM 554 CD2 TRP A 37 0.418 15.256 -18.493 1.00 25.22 C ATOM 555 NE1 TRP A 37 1.392 17.237 -18.107 1.00 54.32 N ATOM 556 CE2 TRP A 37 0.190 16.641 -18.383 1.00 13.41 C ATOM 557 CE3 TRP A 37 -0.662 14.416 -18.774 1.00 74.31 C ATOM 558 CZ2 TRP A 37 -1.076 17.201 -18.543 1.00 24.14 C ATOM 559 CZ3 TRP A 37 -1.917 14.973 -18.933 1.00 32.45 C ATOM 560 CH2 TRP A 37 -2.115 16.355 -18.817 1.00 71.11 C ATOM 0 H TRP A 37 3.009 11.307 -18.118 1.00 41.23 H new ATOM 0 HA TRP A 37 3.110 13.423 -16.242 1.00 0.25 H new ATOM 0 HB2 TRP A 37 3.583 13.893 -18.528 1.00 45.11 H new ATOM 0 HB3 TRP A 37 2.121 13.103 -19.087 1.00 45.11 H new ATOM 0 HD1 TRP A 37 3.410 16.452 -17.842 1.00 14.22 H new ATOM 0 HE1 TRP A 37 1.541 18.237 -17.970 1.00 54.32 H new ATOM 0 HE3 TRP A 37 -0.519 13.349 -18.865 1.00 74.31 H new ATOM 0 HZ2 TRP A 37 -1.231 18.266 -18.454 1.00 24.14 H new ATOM 0 HZ3 TRP A 37 -2.759 14.332 -19.150 1.00 32.45 H new ATOM 0 HH2 TRP A 37 -3.108 16.760 -18.946 1.00 71.11 H new ATOM 571 N ALA A 38 0.165 12.123 -16.867 1.00 33.23 N ATOM 572 CA ALA A 38 -1.222 12.088 -16.421 1.00 54.43 C ATOM 573 C ALA A 38 -1.317 11.709 -14.948 1.00 21.42 C ATOM 574 O ALA A 38 -1.831 12.476 -14.132 1.00 64.45 O ATOM 575 CB ALA A 38 -2.024 11.113 -17.271 1.00 25.12 C ATOM 0 H ALA A 38 0.412 11.393 -17.536 1.00 33.23 H new ATOM 0 HA ALA A 38 -1.641 13.087 -16.539 1.00 54.43 H new ATOM 0 HB1 ALA A 38 -3.058 11.096 -16.927 1.00 25.12 H new ATOM 0 HB2 ALA A 38 -1.993 11.429 -18.314 1.00 25.12 H new ATOM 0 HB3 ALA A 38 -1.596 10.115 -17.181 1.00 25.12 H new ATOM 581 N ILE A 39 -0.818 10.524 -14.613 1.00 52.20 N ATOM 582 CA ILE A 39 -0.847 10.045 -13.237 1.00 71.44 C ATOM 583 C ILE A 39 -0.142 11.020 -12.300 1.00 3.31 C ATOM 584 O ILE A 39 -0.581 11.240 -11.171 1.00 71.51 O ATOM 585 CB ILE A 39 -0.186 8.660 -13.109 1.00 73.32 C ATOM 586 CG1 ILE A 39 -0.257 8.168 -11.662 1.00 23.22 C ATOM 587 CG2 ILE A 39 1.257 8.715 -13.586 1.00 41.10 C ATOM 588 CD1 ILE A 39 -0.817 6.770 -11.525 1.00 33.14 C ATOM 0 H ILE A 39 -0.389 9.878 -15.276 1.00 52.20 H new ATOM 0 HA ILE A 39 -1.896 9.966 -12.953 1.00 71.44 H new ATOM 0 HB ILE A 39 -0.729 7.955 -13.739 1.00 73.32 H new ATOM 0 HG12 ILE A 39 0.743 8.194 -11.229 1.00 23.22 H new ATOM 0 HG13 ILE A 39 -0.873 8.856 -11.083 1.00 23.22 H new ATOM 0 HG21 ILE A 39 1.710 7.728 -13.489 1.00 41.10 H new ATOM 0 HG22 ILE A 39 1.283 9.025 -14.631 1.00 41.10 H new ATOM 0 HG23 ILE A 39 1.813 9.431 -12.981 1.00 41.10 H new ATOM 0 HD11 ILE A 39 -0.838 6.488 -10.472 1.00 33.14 H new ATOM 0 HD12 ILE A 39 -1.829 6.742 -11.928 1.00 33.14 H new ATOM 0 HD13 ILE A 39 -0.188 6.071 -12.076 1.00 33.14 H new ATOM 600 N ARG A 40 0.952 11.604 -12.779 1.00 32.34 N ATOM 601 CA ARG A 40 1.718 12.557 -11.984 1.00 43.13 C ATOM 602 C ARG A 40 0.915 13.831 -11.741 1.00 14.35 C ATOM 603 O ARG A 40 0.655 14.204 -10.596 1.00 64.22 O ATOM 604 CB ARG A 40 3.034 12.898 -12.687 1.00 13.43 C ATOM 605 CG ARG A 40 3.887 13.902 -11.929 1.00 41.21 C ATOM 606 CD ARG A 40 4.183 15.132 -12.774 1.00 34.20 C ATOM 607 NE ARG A 40 4.672 16.245 -11.965 1.00 50.32 N ATOM 608 CZ ARG A 40 5.912 16.323 -11.495 1.00 64.01 C ATOM 609 NH1 ARG A 40 6.783 15.357 -11.752 1.00 24.35 N ATOM 610 NH2 ARG A 40 6.282 17.369 -10.768 1.00 70.00 N ATOM 0 H ARG A 40 1.327 11.434 -13.712 1.00 32.34 H new ATOM 0 HA ARG A 40 1.937 12.096 -11.021 1.00 43.13 H new ATOM 0 HB2 ARG A 40 3.607 11.982 -12.831 1.00 13.43 H new ATOM 0 HB3 ARG A 40 2.814 13.295 -13.678 1.00 13.43 H new ATOM 0 HG2 ARG A 40 3.373 14.202 -11.016 1.00 41.21 H new ATOM 0 HG3 ARG A 40 4.823 13.432 -11.628 1.00 41.21 H new ATOM 0 HD2 ARG A 40 4.925 14.881 -13.532 1.00 34.20 H new ATOM 0 HD3 ARG A 40 3.279 15.436 -13.301 1.00 34.20 H new ATOM 0 HE ARG A 40 4.026 17.004 -11.749 1.00 50.32 H new ATOM 0 HH11 ARG A 40 6.501 14.552 -12.312 1.00 24.35 H new ATOM 0 HH12 ARG A 40 7.735 15.419 -11.390 1.00 24.35 H new ATOM 0 HH21 ARG A 40 5.614 18.114 -10.570 1.00 70.00 H new ATOM 0 HH22 ARG A 40 7.234 17.428 -10.407 1.00 70.00 H new ATOM 624 N MET A 41 0.524 14.495 -12.823 1.00 43.30 N ATOM 625 CA MET A 41 -0.250 15.727 -12.727 1.00 20.22 C ATOM 626 C MET A 41 -1.536 15.500 -11.937 1.00 2.02 C ATOM 627 O MET A 41 -1.945 16.346 -11.143 1.00 3.13 O ATOM 628 CB MET A 41 -0.582 16.257 -14.123 1.00 21.35 C ATOM 629 CG MET A 41 -1.403 17.537 -14.107 1.00 62.53 C ATOM 630 SD MET A 41 -0.539 18.925 -14.868 1.00 63.10 S ATOM 631 CE MET A 41 -1.898 20.057 -15.149 1.00 71.21 C ATOM 0 H MET A 41 0.731 14.200 -13.777 1.00 43.30 H new ATOM 0 HA MET A 41 0.354 16.466 -12.201 1.00 20.22 H new ATOM 0 HB2 MET A 41 0.347 16.437 -14.665 1.00 21.35 H new ATOM 0 HB3 MET A 41 -1.129 15.491 -14.673 1.00 21.35 H new ATOM 0 HG2 MET A 41 -2.343 17.368 -14.632 1.00 62.53 H new ATOM 0 HG3 MET A 41 -1.654 17.791 -13.077 1.00 62.53 H new ATOM 0 HE1 MET A 41 -1.523 20.967 -15.617 1.00 71.21 H new ATOM 0 HE2 MET A 41 -2.632 19.589 -15.804 1.00 71.21 H new ATOM 0 HE3 MET A 41 -2.368 20.305 -14.197 1.00 71.21 H new ATOM 641 N ALA A 42 -2.168 14.353 -12.161 1.00 4.41 N ATOM 642 CA ALA A 42 -3.407 14.015 -11.470 1.00 25.12 C ATOM 643 C ALA A 42 -3.214 14.038 -9.958 1.00 60.41 C ATOM 644 O ALA A 42 -4.019 14.613 -9.228 1.00 32.01 O ATOM 645 CB ALA A 42 -3.907 12.652 -11.921 1.00 63.14 C ATOM 0 H ALA A 42 -1.843 13.642 -12.816 1.00 4.41 H new ATOM 0 HA ALA A 42 -4.155 14.766 -11.726 1.00 25.12 H new ATOM 0 HB1 ALA A 42 -4.832 12.412 -11.397 1.00 63.14 H new ATOM 0 HB2 ALA A 42 -4.092 12.669 -12.995 1.00 63.14 H new ATOM 0 HB3 ALA A 42 -3.156 11.896 -11.694 1.00 63.14 H new ATOM 651 N ASN A 43 -2.140 13.405 -9.494 1.00 35.02 N ATOM 652 CA ASN A 43 -1.842 13.351 -8.066 1.00 51.42 C ATOM 653 C ASN A 43 -1.677 14.754 -7.492 1.00 5.13 C ATOM 654 O ASN A 43 -2.296 15.102 -6.487 1.00 3.23 O ATOM 655 CB ASN A 43 -0.573 12.533 -7.820 1.00 31.12 C ATOM 656 CG ASN A 43 -0.674 11.126 -8.378 1.00 32.15 C ATOM 657 OD1 ASN A 43 -1.766 10.569 -8.491 1.00 13.42 O ATOM 658 ND2 ASN A 43 0.467 10.545 -8.728 1.00 44.01 N ATOM 0 H ASN A 43 -1.463 12.923 -10.085 1.00 35.02 H new ATOM 0 HA ASN A 43 -2.680 12.869 -7.562 1.00 51.42 H new ATOM 0 HB2 ASN A 43 0.277 13.041 -8.275 1.00 31.12 H new ATOM 0 HB3 ASN A 43 -0.378 12.483 -6.749 1.00 31.12 H new ATOM 0 HD21 ASN A 43 0.462 9.599 -9.108 1.00 44.01 H new ATOM 0 HD22 ASN A 43 1.349 11.045 -8.617 1.00 44.01 H new ATOM 665 N VAL A 44 -0.836 15.557 -8.137 1.00 60.54 N ATOM 666 CA VAL A 44 -0.589 16.923 -7.692 1.00 0.14 C ATOM 667 C VAL A 44 -1.864 17.757 -7.744 1.00 14.31 C ATOM 668 O VAL A 44 -2.108 18.592 -6.874 1.00 34.44 O ATOM 669 CB VAL A 44 0.493 17.606 -8.550 1.00 35.31 C ATOM 670 CG1 VAL A 44 0.865 18.959 -7.963 1.00 15.20 C ATOM 671 CG2 VAL A 44 1.719 16.713 -8.671 1.00 13.45 C ATOM 0 H VAL A 44 -0.314 15.284 -8.970 1.00 60.54 H new ATOM 0 HA VAL A 44 -0.240 16.862 -6.661 1.00 0.14 H new ATOM 0 HB VAL A 44 0.090 17.769 -9.550 1.00 35.31 H new ATOM 0 HG11 VAL A 44 1.630 19.426 -8.582 1.00 15.20 H new ATOM 0 HG12 VAL A 44 -0.018 19.598 -7.933 1.00 15.20 H new ATOM 0 HG13 VAL A 44 1.249 18.824 -6.952 1.00 15.20 H new ATOM 0 HG21 VAL A 44 2.473 17.211 -9.280 1.00 13.45 H new ATOM 0 HG22 VAL A 44 2.126 16.517 -7.679 1.00 13.45 H new ATOM 0 HG23 VAL A 44 1.438 15.770 -9.141 1.00 13.45 H new ATOM 681 N SER A 45 -2.676 17.524 -8.771 1.00 63.51 N ATOM 682 CA SER A 45 -3.925 18.256 -8.938 1.00 44.43 C ATOM 683 C SER A 45 -4.832 18.068 -7.726 1.00 41.24 C ATOM 684 O SER A 45 -5.678 18.913 -7.431 1.00 33.11 O ATOM 685 CB SER A 45 -4.646 17.793 -10.206 1.00 72.03 C ATOM 686 OG SER A 45 -4.674 18.820 -11.181 1.00 65.02 O ATOM 0 H SER A 45 -2.491 16.834 -9.499 1.00 63.51 H new ATOM 0 HA SER A 45 -3.687 19.316 -9.030 1.00 44.43 H new ATOM 0 HB2 SER A 45 -4.145 16.915 -10.613 1.00 72.03 H new ATOM 0 HB3 SER A 45 -5.665 17.493 -9.960 1.00 72.03 H new ATOM 0 HG SER A 45 -5.138 18.498 -11.982 1.00 65.02 H new ATOM 692 N THR A 46 -4.650 16.953 -7.026 1.00 62.33 N ATOM 693 CA THR A 46 -5.450 16.651 -5.847 1.00 53.24 C ATOM 694 C THR A 46 -4.715 17.037 -4.569 1.00 2.13 C ATOM 695 O THR A 46 -5.326 17.193 -3.512 1.00 72.33 O ATOM 696 CB THR A 46 -5.817 15.156 -5.784 1.00 31.50 C ATOM 697 OG1 THR A 46 -4.631 14.368 -5.627 1.00 40.01 O ATOM 698 CG2 THR A 46 -6.555 14.726 -7.042 1.00 21.40 C ATOM 0 H THR A 46 -3.954 16.243 -7.256 1.00 62.33 H new ATOM 0 HA THR A 46 -6.365 17.239 -5.928 1.00 53.24 H new ATOM 0 HB THR A 46 -6.473 15.001 -4.927 1.00 31.50 H new ATOM 0 HG1 THR A 46 -3.855 14.878 -5.940 1.00 40.01 H new ATOM 0 HG21 THR A 46 -6.803 13.667 -6.974 1.00 21.40 H new ATOM 0 HG22 THR A 46 -7.471 15.308 -7.143 1.00 21.40 H new ATOM 0 HG23 THR A 46 -5.920 14.895 -7.912 1.00 21.40 H new ATOM 706 N GLY A 47 -3.398 17.192 -4.673 1.00 15.52 N ATOM 707 CA GLY A 47 -2.601 17.559 -3.518 1.00 11.33 C ATOM 708 C GLY A 47 -2.060 16.352 -2.779 1.00 75.11 C ATOM 709 O GLY A 47 -2.153 16.272 -1.554 1.00 12.43 O ATOM 0 H GLY A 47 -2.870 17.070 -5.537 1.00 15.52 H new ATOM 0 HA2 GLY A 47 -1.770 18.187 -3.839 1.00 11.33 H new ATOM 0 HA3 GLY A 47 -3.207 18.156 -2.837 1.00 11.33 H new ATOM 713 N ARG A 48 -1.494 15.408 -3.524 1.00 44.42 N ATOM 714 CA ARG A 48 -0.938 14.198 -2.932 1.00 53.54 C ATOM 715 C ARG A 48 0.506 13.988 -3.377 1.00 33.13 C ATOM 716 O ARG A 48 0.911 12.872 -3.696 1.00 54.04 O ATOM 717 CB ARG A 48 -1.784 12.982 -3.318 1.00 62.30 C ATOM 718 CG ARG A 48 -1.981 11.993 -2.182 1.00 34.42 C ATOM 719 CD ARG A 48 -3.068 12.454 -1.223 1.00 0.15 C ATOM 720 NE ARG A 48 -2.521 12.872 0.065 1.00 65.12 N ATOM 721 CZ ARG A 48 -3.262 13.074 1.148 1.00 13.34 C ATOM 722 NH1 ARG A 48 -4.576 12.898 1.098 1.00 2.40 N ATOM 723 NH2 ARG A 48 -2.691 13.454 2.284 1.00 14.11 N ATOM 0 H ARG A 48 -1.409 15.458 -4.539 1.00 44.42 H new ATOM 0 HA ARG A 48 -0.952 14.314 -1.848 1.00 53.54 H new ATOM 0 HB2 ARG A 48 -2.759 13.324 -3.664 1.00 62.30 H new ATOM 0 HB3 ARG A 48 -1.309 12.471 -4.156 1.00 62.30 H new ATOM 0 HG2 ARG A 48 -2.244 11.017 -2.590 1.00 34.42 H new ATOM 0 HG3 ARG A 48 -1.044 11.870 -1.639 1.00 34.42 H new ATOM 0 HD2 ARG A 48 -3.618 13.283 -1.669 1.00 0.15 H new ATOM 0 HD3 ARG A 48 -3.782 11.645 -1.068 1.00 0.15 H new ATOM 0 HE ARG A 48 -1.514 13.017 0.137 1.00 65.12 H new ATOM 0 HH11 ARG A 48 -5.019 12.607 0.226 1.00 2.40 H new ATOM 0 HH12 ARG A 48 -5.143 13.054 1.931 1.00 2.40 H new ATOM 0 HH21 ARG A 48 -1.681 13.591 2.326 1.00 14.11 H new ATOM 0 HH22 ARG A 48 -3.262 13.609 3.115 1.00 14.11 H new ATOM 773 N ASP A 52 3.244 10.102 -6.475 1.00 52.34 N ATOM 774 CA ASP A 52 2.169 9.351 -5.838 1.00 14.44 C ATOM 775 C ASP A 52 1.852 8.082 -6.622 1.00 42.43 C ATOM 776 O ASP A 52 1.167 8.127 -7.644 1.00 63.44 O ATOM 777 CB ASP A 52 0.914 10.218 -5.718 1.00 32.13 C ATOM 778 CG ASP A 52 0.333 10.205 -4.318 1.00 10.11 C ATOM 779 OD1 ASP A 52 -0.905 10.095 -4.190 1.00 31.14 O ATOM 780 OD2 ASP A 52 1.116 10.305 -3.350 1.00 34.10 O ATOM 0 HA ASP A 52 2.501 9.066 -4.840 1.00 14.44 H new ATOM 0 HB2 ASP A 52 1.156 11.243 -5.998 1.00 32.13 H new ATOM 0 HB3 ASP A 52 0.162 9.864 -6.423 1.00 32.13 H new ATOM 785 N ILE A 53 2.357 6.952 -6.137 1.00 52.42 N ATOM 786 CA ILE A 53 2.128 5.671 -6.794 1.00 14.53 C ATOM 787 C ILE A 53 1.266 4.756 -5.928 1.00 43.22 C ATOM 788 O ILE A 53 1.750 3.804 -5.315 1.00 1.53 O ATOM 789 CB ILE A 53 3.454 4.957 -7.113 1.00 72.02 C ATOM 790 CG1 ILE A 53 4.341 5.849 -7.984 1.00 21.32 C ATOM 791 CG2 ILE A 53 3.187 3.629 -7.806 1.00 11.15 C ATOM 792 CD1 ILE A 53 3.777 6.099 -9.365 1.00 25.44 C ATOM 0 H ILE A 53 2.927 6.898 -5.293 1.00 52.42 H new ATOM 0 HA ILE A 53 1.606 5.883 -7.727 1.00 14.53 H new ATOM 0 HB ILE A 53 3.977 4.758 -6.178 1.00 72.02 H new ATOM 0 HG12 ILE A 53 4.486 6.805 -7.481 1.00 21.32 H new ATOM 0 HG13 ILE A 53 5.324 5.387 -8.080 1.00 21.32 H new ATOM 0 HG21 ILE A 53 4.134 3.136 -8.025 1.00 11.15 H new ATOM 0 HG22 ILE A 53 2.589 2.992 -7.154 1.00 11.15 H new ATOM 0 HG23 ILE A 53 2.647 3.806 -8.736 1.00 11.15 H new ATOM 0 HD11 ILE A 53 4.458 6.739 -9.926 1.00 25.44 H new ATOM 0 HD12 ILE A 53 3.658 5.149 -9.887 1.00 25.44 H new ATOM 0 HD13 ILE A 53 2.807 6.589 -9.279 1.00 25.44 H new ATOM 804 N PRO A 54 -0.042 5.049 -5.877 1.00 71.13 N ATOM 805 CA PRO A 54 -0.999 4.263 -5.092 1.00 65.32 C ATOM 806 C PRO A 54 -1.231 2.877 -5.682 1.00 15.02 C ATOM 807 O PRO A 54 -0.967 2.642 -6.861 1.00 75.42 O ATOM 808 CB PRO A 54 -2.281 5.096 -5.161 1.00 13.35 C ATOM 809 CG PRO A 54 -2.155 5.885 -6.418 1.00 63.12 C ATOM 810 CD PRO A 54 -0.687 6.169 -6.583 1.00 43.01 C ATOM 0 HA PRO A 54 -0.645 4.084 -4.077 1.00 65.32 H new ATOM 0 HB2 PRO A 54 -3.166 4.460 -5.180 1.00 13.35 H new ATOM 0 HB3 PRO A 54 -2.376 5.748 -4.293 1.00 13.35 H new ATOM 0 HG2 PRO A 54 -2.543 5.326 -7.270 1.00 63.12 H new ATOM 0 HG3 PRO A 54 -2.727 6.811 -6.357 1.00 63.12 H new ATOM 0 HD2 PRO A 54 -0.399 6.201 -7.634 1.00 43.01 H new ATOM 0 HD3 PRO A 54 -0.412 7.130 -6.148 1.00 43.01 H new ATOM 818 N GLU A 55 -1.729 1.962 -4.855 1.00 21.03 N ATOM 819 CA GLU A 55 -1.997 0.599 -5.295 1.00 3.11 C ATOM 820 C GLU A 55 -3.257 0.050 -4.632 1.00 11.01 C ATOM 821 O GLU A 55 -3.366 -1.149 -4.376 1.00 33.21 O ATOM 822 CB GLU A 55 -0.805 -0.307 -4.978 1.00 22.22 C ATOM 823 CG GLU A 55 -0.839 -1.638 -5.711 1.00 11.34 C ATOM 824 CD GLU A 55 -0.819 -2.825 -4.768 1.00 3.14 C ATOM 825 OE1 GLU A 55 -0.188 -2.717 -3.695 1.00 34.12 O ATOM 826 OE2 GLU A 55 -1.432 -3.859 -5.101 1.00 75.14 O ATOM 0 H GLU A 55 -1.955 2.141 -3.877 1.00 21.03 H new ATOM 0 HA GLU A 55 -2.154 0.618 -6.374 1.00 3.11 H new ATOM 0 HB2 GLU A 55 0.116 0.216 -5.235 1.00 22.22 H new ATOM 0 HB3 GLU A 55 -0.777 -0.494 -3.904 1.00 22.22 H new ATOM 0 HG2 GLU A 55 -1.736 -1.685 -6.329 1.00 11.34 H new ATOM 0 HG3 GLU A 55 0.016 -1.699 -6.384 1.00 11.34 H new ATOM 833 N THR A 56 -4.208 0.938 -4.356 1.00 23.31 N ATOM 834 CA THR A 56 -5.459 0.544 -3.722 1.00 20.44 C ATOM 835 C THR A 56 -6.647 1.252 -4.363 1.00 63.14 C ATOM 836 O THR A 56 -6.602 2.456 -4.619 1.00 54.20 O ATOM 837 CB THR A 56 -5.446 0.855 -2.213 1.00 21.22 C ATOM 838 OG1 THR A 56 -5.572 2.265 -2.002 1.00 5.14 O ATOM 839 CG2 THR A 56 -4.163 0.353 -1.568 1.00 65.14 C ATOM 0 H THR A 56 -4.135 1.934 -4.562 1.00 23.31 H new ATOM 0 HA THR A 56 -5.560 -0.532 -3.864 1.00 20.44 H new ATOM 0 HB THR A 56 -6.290 0.343 -1.752 1.00 21.22 H new ATOM 0 HG1 THR A 56 -5.246 2.492 -1.106 1.00 5.14 H new ATOM 0 HG21 THR A 56 -4.177 0.584 -0.503 1.00 65.14 H new ATOM 0 HG22 THR A 56 -4.085 -0.726 -1.704 1.00 65.14 H new ATOM 0 HG23 THR A 56 -3.307 0.840 -2.034 1.00 65.14 H new ATOM 847 N LEU A 57 -7.709 0.497 -4.623 1.00 63.40 N ATOM 848 CA LEU A 57 -8.911 1.051 -5.236 1.00 3.13 C ATOM 849 C LEU A 57 -9.396 2.278 -4.469 1.00 2.21 C ATOM 850 O LEU A 57 -9.991 3.188 -5.047 1.00 4.02 O ATOM 851 CB LEU A 57 -10.017 -0.004 -5.283 1.00 4.33 C ATOM 852 CG LEU A 57 -10.836 -0.061 -6.573 1.00 25.33 C ATOM 853 CD1 LEU A 57 -11.404 1.311 -6.905 1.00 64.33 C ATOM 854 CD2 LEU A 57 -9.984 -0.580 -7.723 1.00 34.04 C ATOM 0 H LEU A 57 -7.762 -0.501 -4.419 1.00 63.40 H new ATOM 0 HA LEU A 57 -8.664 1.354 -6.253 1.00 3.13 H new ATOM 0 HB2 LEU A 57 -9.565 -0.982 -5.120 1.00 4.33 H new ATOM 0 HB3 LEU A 57 -10.698 0.176 -4.451 1.00 4.33 H new ATOM 0 HG LEU A 57 -11.667 -0.750 -6.423 1.00 25.33 H new ATOM 0 HD11 LEU A 57 -11.984 1.252 -7.826 1.00 64.33 H new ATOM 0 HD12 LEU A 57 -12.048 1.645 -6.091 1.00 64.33 H new ATOM 0 HD13 LEU A 57 -10.587 2.021 -7.036 1.00 64.33 H new ATOM 0 HD21 LEU A 57 -10.583 -0.614 -8.633 1.00 34.04 H new ATOM 0 HD22 LEU A 57 -9.133 0.084 -7.873 1.00 34.04 H new ATOM 0 HD23 LEU A 57 -9.626 -1.582 -7.487 1.00 34.04 H new ATOM 866 N ASP A 58 -9.135 2.297 -3.168 1.00 35.43 N ATOM 867 CA ASP A 58 -9.543 3.414 -2.321 1.00 64.24 C ATOM 868 C ASP A 58 -8.722 4.661 -2.638 1.00 15.52 C ATOM 869 O ASP A 58 -9.240 5.778 -2.609 1.00 62.14 O ATOM 870 CB ASP A 58 -9.386 3.046 -0.845 1.00 1.54 C ATOM 871 CG ASP A 58 -9.891 4.137 0.079 1.00 45.03 C ATOM 872 OD1 ASP A 58 -11.120 4.357 0.123 1.00 11.10 O ATOM 873 OD2 ASP A 58 -9.057 4.771 0.759 1.00 24.15 O ATOM 0 H ASP A 58 -8.643 1.552 -2.675 1.00 35.43 H new ATOM 0 HA ASP A 58 -10.592 3.629 -2.523 1.00 64.24 H new ATOM 0 HB2 ASP A 58 -9.929 2.123 -0.644 1.00 1.54 H new ATOM 0 HB3 ASP A 58 -8.335 2.850 -0.632 1.00 1.54 H new ATOM 878 N GLN A 59 -7.444 4.463 -2.938 1.00 73.33 N ATOM 879 CA GLN A 59 -6.553 5.572 -3.258 1.00 13.42 C ATOM 880 C GLN A 59 -6.868 6.143 -4.637 1.00 72.14 C ATOM 881 O GLN A 59 -7.093 7.344 -4.787 1.00 13.42 O ATOM 882 CB GLN A 59 -5.095 5.115 -3.203 1.00 30.22 C ATOM 883 CG GLN A 59 -4.410 5.426 -1.881 1.00 70.22 C ATOM 884 CD GLN A 59 -3.697 4.222 -1.296 1.00 62.01 C ATOM 885 OE1 GLN A 59 -4.142 3.643 -0.304 1.00 4.12 O ATOM 886 NE2 GLN A 59 -2.583 3.838 -1.909 1.00 52.31 N ATOM 0 H GLN A 59 -7.001 3.545 -2.966 1.00 73.33 H new ATOM 0 HA GLN A 59 -6.709 6.355 -2.516 1.00 13.42 H new ATOM 0 HB2 GLN A 59 -5.053 4.040 -3.381 1.00 30.22 H new ATOM 0 HB3 GLN A 59 -4.542 5.594 -4.011 1.00 30.22 H new ATOM 0 HG2 GLN A 59 -3.692 6.232 -2.029 1.00 70.22 H new ATOM 0 HG3 GLN A 59 -5.151 5.786 -1.168 1.00 70.22 H new ATOM 0 HE21 GLN A 59 -2.250 4.347 -2.728 1.00 52.31 H new ATOM 0 HE22 GLN A 59 -2.060 3.034 -1.561 1.00 52.31 H new ATOM 895 N LEU A 60 -6.880 5.274 -5.642 1.00 74.33 N ATOM 896 CA LEU A 60 -7.167 5.691 -7.010 1.00 73.35 C ATOM 897 C LEU A 60 -8.539 6.351 -7.103 1.00 21.10 C ATOM 898 O LEU A 60 -8.701 7.378 -7.761 1.00 2.41 O ATOM 899 CB LEU A 60 -7.102 4.489 -7.955 1.00 23.30 C ATOM 900 CG LEU A 60 -5.716 4.133 -8.494 1.00 42.11 C ATOM 901 CD1 LEU A 60 -5.225 5.207 -9.453 1.00 70.45 C ATOM 902 CD2 LEU A 60 -4.730 3.946 -7.350 1.00 12.22 C ATOM 0 H LEU A 60 -6.694 4.277 -5.535 1.00 74.33 H new ATOM 0 HA LEU A 60 -6.413 6.420 -7.306 1.00 73.35 H new ATOM 0 HB2 LEU A 60 -7.501 3.620 -7.433 1.00 23.30 H new ATOM 0 HB3 LEU A 60 -7.761 4.682 -8.802 1.00 23.30 H new ATOM 0 HG LEU A 60 -5.790 3.193 -9.040 1.00 42.11 H new ATOM 0 HD11 LEU A 60 -4.237 4.937 -9.827 1.00 70.45 H new ATOM 0 HD12 LEU A 60 -5.919 5.293 -10.289 1.00 70.45 H new ATOM 0 HD13 LEU A 60 -5.167 6.162 -8.931 1.00 70.45 H new ATOM 0 HD21 LEU A 60 -3.749 3.693 -7.753 1.00 12.22 H new ATOM 0 HD22 LEU A 60 -4.659 4.870 -6.776 1.00 12.22 H new ATOM 0 HD23 LEU A 60 -5.074 3.141 -6.701 1.00 12.22 H new ATOM 914 N ARG A 61 -9.522 5.755 -6.436 1.00 45.54 N ATOM 915 CA ARG A 61 -10.880 6.286 -6.443 1.00 71.42 C ATOM 916 C ARG A 61 -10.915 7.696 -5.860 1.00 52.24 C ATOM 917 O ARG A 61 -11.450 8.620 -6.474 1.00 41.20 O ATOM 918 CB ARG A 61 -11.811 5.371 -5.646 1.00 51.53 C ATOM 919 CG ARG A 61 -13.209 5.939 -5.458 1.00 73.44 C ATOM 920 CD ARG A 61 -14.240 4.835 -5.286 1.00 11.32 C ATOM 921 NE ARG A 61 -15.413 5.292 -4.545 1.00 40.42 N ATOM 922 CZ ARG A 61 -16.492 4.544 -4.341 1.00 20.53 C ATOM 923 NH1 ARG A 61 -16.545 3.308 -4.819 1.00 15.00 N ATOM 924 NH2 ARG A 61 -17.518 5.031 -3.656 1.00 53.24 N ATOM 0 H ARG A 61 -9.404 4.905 -5.885 1.00 45.54 H new ATOM 0 HA ARG A 61 -11.221 6.330 -7.477 1.00 71.42 H new ATOM 0 HB2 ARG A 61 -11.884 4.409 -6.154 1.00 51.53 H new ATOM 0 HB3 ARG A 61 -11.370 5.182 -4.667 1.00 51.53 H new ATOM 0 HG2 ARG A 61 -13.224 6.591 -4.585 1.00 73.44 H new ATOM 0 HG3 ARG A 61 -13.472 6.553 -6.319 1.00 73.44 H new ATOM 0 HD2 ARG A 61 -14.549 4.472 -6.266 1.00 11.32 H new ATOM 0 HD3 ARG A 61 -13.786 3.993 -4.763 1.00 11.32 H new ATOM 0 HE ARG A 61 -15.403 6.238 -4.163 1.00 40.42 H new ATOM 0 HH11 ARG A 61 -15.757 2.930 -5.344 1.00 15.00 H new ATOM 0 HH12 ARG A 61 -17.374 2.735 -4.661 1.00 15.00 H new ATOM 0 HH21 ARG A 61 -17.479 5.980 -3.285 1.00 53.24 H new ATOM 0 HH22 ARG A 61 -18.346 4.456 -3.500 1.00 53.24 H new ATOM 938 N LEU A 62 -10.342 7.854 -4.672 1.00 23.31 N ATOM 939 CA LEU A 62 -10.308 9.151 -4.005 1.00 45.32 C ATOM 940 C LEU A 62 -9.716 10.218 -4.921 1.00 44.10 C ATOM 941 O LEU A 62 -10.216 11.341 -4.988 1.00 64.40 O ATOM 942 CB LEU A 62 -9.493 9.062 -2.714 1.00 63.32 C ATOM 943 CG LEU A 62 -10.260 9.319 -1.417 1.00 24.31 C ATOM 944 CD1 LEU A 62 -10.997 10.648 -1.487 1.00 41.43 C ATOM 945 CD2 LEU A 62 -11.233 8.182 -1.138 1.00 65.41 C ATOM 0 H LEU A 62 -9.895 7.100 -4.151 1.00 23.31 H new ATOM 0 HA LEU A 62 -11.332 9.434 -3.762 1.00 45.32 H new ATOM 0 HB2 LEU A 62 -9.046 8.069 -2.658 1.00 63.32 H new ATOM 0 HB3 LEU A 62 -8.673 9.778 -2.776 1.00 63.32 H new ATOM 0 HG LEU A 62 -9.543 9.367 -0.597 1.00 24.31 H new ATOM 0 HD11 LEU A 62 -11.537 10.814 -0.555 1.00 41.43 H new ATOM 0 HD12 LEU A 62 -10.280 11.454 -1.639 1.00 41.43 H new ATOM 0 HD13 LEU A 62 -11.703 10.629 -2.317 1.00 41.43 H new ATOM 0 HD21 LEU A 62 -11.770 8.382 -0.211 1.00 65.41 H new ATOM 0 HD22 LEU A 62 -11.945 8.102 -1.960 1.00 65.41 H new ATOM 0 HD23 LEU A 62 -10.682 7.246 -1.043 1.00 65.41 H new ATOM 957 N VAL A 63 -8.648 9.859 -5.627 1.00 4.22 N ATOM 958 CA VAL A 63 -7.989 10.784 -6.542 1.00 33.31 C ATOM 959 C VAL A 63 -8.922 11.193 -7.677 1.00 33.15 C ATOM 960 O VAL A 63 -9.040 12.375 -8.001 1.00 11.13 O ATOM 961 CB VAL A 63 -6.712 10.167 -7.141 1.00 22.34 C ATOM 962 CG1 VAL A 63 -5.983 11.182 -8.008 1.00 3.43 C ATOM 963 CG2 VAL A 63 -5.803 9.649 -6.035 1.00 42.03 C ATOM 0 H VAL A 63 -8.221 8.934 -5.583 1.00 4.22 H new ATOM 0 HA VAL A 63 -7.720 11.666 -5.960 1.00 33.31 H new ATOM 0 HB VAL A 63 -6.998 9.325 -7.772 1.00 22.34 H new ATOM 0 HG11 VAL A 63 -5.083 10.727 -8.422 1.00 3.43 H new ATOM 0 HG12 VAL A 63 -6.635 11.501 -8.821 1.00 3.43 H new ATOM 0 HG13 VAL A 63 -5.707 12.046 -7.403 1.00 3.43 H new ATOM 0 HG21 VAL A 63 -4.905 9.216 -6.475 1.00 42.03 H new ATOM 0 HG22 VAL A 63 -5.524 10.473 -5.378 1.00 42.03 H new ATOM 0 HG23 VAL A 63 -6.328 8.887 -5.459 1.00 42.03 H new ATOM 973 N ILE A 64 -9.583 10.209 -8.275 1.00 72.14 N ATOM 974 CA ILE A 64 -10.508 10.466 -9.373 1.00 22.43 C ATOM 975 C ILE A 64 -11.605 11.438 -8.950 1.00 72.32 C ATOM 976 O ILE A 64 -12.037 12.282 -9.736 1.00 61.12 O ATOM 977 CB ILE A 64 -11.156 9.165 -9.879 1.00 54.31 C ATOM 978 CG1 ILE A 64 -10.084 8.194 -10.376 1.00 41.00 C ATOM 979 CG2 ILE A 64 -12.158 9.468 -10.984 1.00 73.52 C ATOM 980 CD1 ILE A 64 -10.487 6.740 -10.268 1.00 33.51 C ATOM 0 H ILE A 64 -9.496 9.226 -8.018 1.00 72.14 H new ATOM 0 HA ILE A 64 -9.925 10.909 -10.181 1.00 22.43 H new ATOM 0 HB ILE A 64 -11.688 8.696 -9.051 1.00 54.31 H new ATOM 0 HG12 ILE A 64 -9.853 8.422 -11.417 1.00 41.00 H new ATOM 0 HG13 ILE A 64 -9.169 8.352 -9.805 1.00 41.00 H new ATOM 0 HG21 ILE A 64 -12.608 8.538 -11.332 1.00 73.52 H new ATOM 0 HG22 ILE A 64 -12.937 10.126 -10.599 1.00 73.52 H new ATOM 0 HG23 ILE A 64 -11.648 9.957 -11.814 1.00 73.52 H new ATOM 0 HD11 ILE A 64 -9.678 6.110 -10.638 1.00 33.51 H new ATOM 0 HD12 ILE A 64 -10.689 6.495 -9.225 1.00 33.51 H new ATOM 0 HD13 ILE A 64 -11.384 6.566 -10.862 1.00 33.51 H new ATOM 992 N CYS A 65 -12.050 11.314 -7.705 1.00 73.04 N ATOM 993 CA CYS A 65 -13.097 12.181 -7.177 1.00 2.53 C ATOM 994 C CYS A 65 -12.625 13.631 -7.121 1.00 71.41 C ATOM 995 O CYS A 65 -13.259 14.523 -7.683 1.00 21.44 O ATOM 996 CB CYS A 65 -13.520 11.715 -5.783 1.00 43.20 C ATOM 997 SG CYS A 65 -14.269 10.070 -5.751 1.00 50.04 S ATOM 0 H CYS A 65 -11.702 10.621 -7.042 1.00 73.04 H new ATOM 0 HA CYS A 65 -13.955 12.123 -7.847 1.00 2.53 H new ATOM 0 HB2 CYS A 65 -12.647 11.718 -5.130 1.00 43.20 H new ATOM 0 HB3 CYS A 65 -14.229 12.433 -5.371 1.00 43.20 H new ATOM 0 HG CYS A 65 -13.360 9.174 -5.998 1.00 50.04 H new ATOM 1003 N ASP A 66 -11.508 13.857 -6.438 1.00 51.11 N ATOM 1004 CA ASP A 66 -10.950 15.197 -6.307 1.00 12.35 C ATOM 1005 C ASP A 66 -10.669 15.805 -7.678 1.00 0.12 C ATOM 1006 O ASP A 66 -10.928 16.987 -7.909 1.00 43.55 O ATOM 1007 CB ASP A 66 -9.665 15.160 -5.479 1.00 72.13 C ATOM 1008 CG ASP A 66 -9.871 15.673 -4.067 1.00 20.31 C ATOM 1009 OD1 ASP A 66 -10.331 14.888 -3.212 1.00 31.14 O ATOM 1010 OD2 ASP A 66 -9.571 16.858 -3.817 1.00 24.24 O ATOM 0 H ASP A 66 -10.971 13.129 -5.967 1.00 51.11 H new ATOM 0 HA ASP A 66 -11.684 15.820 -5.796 1.00 12.35 H new ATOM 0 HB2 ASP A 66 -9.291 14.137 -5.440 1.00 72.13 H new ATOM 0 HB3 ASP A 66 -8.901 15.760 -5.973 1.00 72.13 H new ATOM 1015 N LEU A 67 -10.137 14.991 -8.583 1.00 20.41 N ATOM 1016 CA LEU A 67 -9.819 15.448 -9.931 1.00 34.34 C ATOM 1017 C LEU A 67 -11.063 15.989 -10.630 1.00 61.21 C ATOM 1018 O LEU A 67 -11.016 17.034 -11.278 1.00 34.11 O ATOM 1019 CB LEU A 67 -9.216 14.305 -10.749 1.00 1.53 C ATOM 1020 CG LEU A 67 -7.852 14.580 -11.381 1.00 3.11 C ATOM 1021 CD1 LEU A 67 -7.929 15.774 -12.320 1.00 24.03 C ATOM 1022 CD2 LEU A 67 -6.802 14.812 -10.304 1.00 42.33 C ATOM 0 H LEU A 67 -9.917 14.011 -8.408 1.00 20.41 H new ATOM 0 HA LEU A 67 -9.090 16.254 -9.853 1.00 34.34 H new ATOM 0 HB2 LEU A 67 -9.126 13.431 -10.104 1.00 1.53 H new ATOM 0 HB3 LEU A 67 -9.916 14.044 -11.543 1.00 1.53 H new ATOM 0 HG LEU A 67 -7.560 13.706 -11.963 1.00 3.11 H new ATOM 0 HD11 LEU A 67 -6.948 15.954 -12.760 1.00 24.03 H new ATOM 0 HD12 LEU A 67 -8.650 15.569 -13.111 1.00 24.03 H new ATOM 0 HD13 LEU A 67 -8.244 16.656 -11.762 1.00 24.03 H new ATOM 0 HD21 LEU A 67 -5.837 15.006 -10.772 1.00 42.33 H new ATOM 0 HD22 LEU A 67 -7.089 15.669 -9.695 1.00 42.33 H new ATOM 0 HD23 LEU A 67 -6.727 13.927 -9.672 1.00 42.33 H new ATOM 1034 N GLN A 68 -12.173 15.271 -10.491 1.00 32.34 N ATOM 1035 CA GLN A 68 -13.428 15.679 -11.107 1.00 51.41 C ATOM 1036 C GLN A 68 -13.885 17.031 -10.569 1.00 14.13 C ATOM 1037 O GLN A 68 -14.323 17.896 -11.326 1.00 23.13 O ATOM 1038 CB GLN A 68 -14.509 14.626 -10.859 1.00 10.50 C ATOM 1039 CG GLN A 68 -14.757 13.716 -12.051 1.00 51.01 C ATOM 1040 CD GLN A 68 -15.542 14.398 -13.155 1.00 23.15 C ATOM 1041 OE1 GLN A 68 -16.657 14.872 -12.937 1.00 52.22 O ATOM 1042 NE2 GLN A 68 -14.961 14.453 -14.348 1.00 23.42 N ATOM 0 H GLN A 68 -12.228 14.404 -9.957 1.00 32.34 H new ATOM 0 HA GLN A 68 -13.262 15.773 -12.180 1.00 51.41 H new ATOM 0 HB2 GLN A 68 -14.222 14.017 -10.002 1.00 10.50 H new ATOM 0 HB3 GLN A 68 -15.440 15.128 -10.596 1.00 10.50 H new ATOM 0 HG2 GLN A 68 -13.801 13.375 -12.448 1.00 51.01 H new ATOM 0 HG3 GLN A 68 -15.299 12.830 -11.720 1.00 51.01 H new ATOM 0 HE21 GLN A 68 -14.035 14.047 -14.484 1.00 23.42 H new ATOM 0 HE22 GLN A 68 -15.441 14.901 -15.129 1.00 23.42 H new ATOM 1051 N GLU A 69 -13.781 17.204 -9.254 1.00 44.33 N ATOM 1052 CA GLU A 69 -14.185 18.451 -8.615 1.00 10.31 C ATOM 1053 C GLU A 69 -13.267 19.597 -9.029 1.00 12.14 C ATOM 1054 O GLU A 69 -13.655 20.765 -8.983 1.00 54.43 O ATOM 1055 CB GLU A 69 -14.172 18.296 -7.092 1.00 1.11 C ATOM 1056 CG GLU A 69 -15.421 17.633 -6.537 1.00 4.24 C ATOM 1057 CD GLU A 69 -15.231 17.128 -5.119 1.00 52.24 C ATOM 1058 OE1 GLU A 69 -14.202 16.471 -4.857 1.00 41.15 O ATOM 1059 OE2 GLU A 69 -16.113 17.388 -4.273 1.00 64.03 O ATOM 0 H GLU A 69 -13.421 16.498 -8.612 1.00 44.33 H new ATOM 0 HA GLU A 69 -15.198 18.685 -8.941 1.00 10.31 H new ATOM 0 HB2 GLU A 69 -13.300 17.709 -6.802 1.00 1.11 H new ATOM 0 HB3 GLU A 69 -14.060 19.280 -6.636 1.00 1.11 H new ATOM 0 HG2 GLU A 69 -16.246 18.345 -6.558 1.00 4.24 H new ATOM 0 HG3 GLU A 69 -15.703 16.800 -7.181 1.00 4.24 H new ATOM 1066 N ARG A 70 -12.048 19.255 -9.432 1.00 4.43 N ATOM 1067 CA ARG A 70 -11.074 20.255 -9.852 1.00 2.01 C ATOM 1068 C ARG A 70 -11.403 20.782 -11.246 1.00 64.35 C ATOM 1069 O ARG A 70 -11.607 21.981 -11.435 1.00 44.32 O ATOM 1070 CB ARG A 70 -9.664 19.662 -9.838 1.00 72.24 C ATOM 1071 CG ARG A 70 -9.126 19.401 -8.441 1.00 4.22 C ATOM 1072 CD ARG A 70 -8.347 20.596 -7.912 1.00 74.13 C ATOM 1073 NE ARG A 70 -9.230 21.641 -7.398 1.00 73.13 N ATOM 1074 CZ ARG A 70 -9.887 21.547 -6.247 1.00 61.21 C ATOM 1075 NH1 ARG A 70 -9.761 20.462 -5.495 1.00 14.24 N ATOM 1076 NH2 ARG A 70 -10.671 22.539 -5.847 1.00 31.44 N ATOM 0 H ARG A 70 -11.711 18.293 -9.477 1.00 4.43 H new ATOM 0 HA ARG A 70 -11.117 21.087 -9.149 1.00 2.01 H new ATOM 0 HB2 ARG A 70 -9.667 18.727 -10.397 1.00 72.24 H new ATOM 0 HB3 ARG A 70 -8.988 20.342 -10.357 1.00 72.24 H new ATOM 0 HG2 ARG A 70 -9.953 19.177 -7.767 1.00 4.22 H new ATOM 0 HG3 ARG A 70 -8.481 18.523 -8.457 1.00 4.22 H new ATOM 0 HD2 ARG A 70 -7.674 20.268 -7.120 1.00 74.13 H new ATOM 0 HD3 ARG A 70 -7.726 21.006 -8.709 1.00 74.13 H new ATOM 0 HE ARG A 70 -9.348 22.489 -7.953 1.00 73.13 H new ATOM 0 HH11 ARG A 70 -9.159 19.697 -5.800 1.00 14.24 H new ATOM 0 HH12 ARG A 70 -10.266 20.392 -4.612 1.00 14.24 H new ATOM 0 HH21 ARG A 70 -10.770 23.375 -6.423 1.00 31.44 H new ATOM 0 HH22 ARG A 70 -11.175 22.466 -4.963 1.00 31.44 H new ATOM 1090 N ARG A 71 -11.451 19.877 -12.219 1.00 23.45 N ATOM 1091 CA ARG A 71 -11.752 20.251 -13.596 1.00 32.43 C ATOM 1092 C ARG A 71 -13.110 20.940 -13.686 1.00 73.03 C ATOM 1093 O ARG A 71 -13.329 21.789 -14.549 1.00 41.25 O ATOM 1094 CB ARG A 71 -11.734 19.015 -14.497 1.00 31.30 C ATOM 1095 CG ARG A 71 -12.978 18.150 -14.371 1.00 44.43 C ATOM 1096 CD ARG A 71 -14.027 18.531 -15.404 1.00 60.54 C ATOM 1097 NE ARG A 71 -14.498 17.372 -16.158 1.00 54.15 N ATOM 1098 CZ ARG A 71 -15.427 17.439 -17.105 1.00 41.41 C ATOM 1099 NH1 ARG A 71 -15.981 18.603 -17.413 1.00 41.35 N ATOM 1100 NH2 ARG A 71 -15.803 16.340 -17.746 1.00 51.04 N ATOM 0 H ARG A 71 -11.285 18.880 -12.079 1.00 23.45 H new ATOM 0 HA ARG A 71 -10.986 20.949 -13.934 1.00 32.43 H new ATOM 0 HB2 ARG A 71 -11.627 19.333 -15.534 1.00 31.30 H new ATOM 0 HB3 ARG A 71 -10.858 18.413 -14.256 1.00 31.30 H new ATOM 0 HG2 ARG A 71 -12.708 17.101 -14.495 1.00 44.43 H new ATOM 0 HG3 ARG A 71 -13.396 18.255 -13.370 1.00 44.43 H new ATOM 0 HD2 ARG A 71 -14.871 19.007 -14.905 1.00 60.54 H new ATOM 0 HD3 ARG A 71 -13.608 19.266 -16.092 1.00 60.54 H new ATOM 0 HE ARG A 71 -14.091 16.461 -15.946 1.00 54.15 H new ATOM 0 HH11 ARG A 71 -15.694 19.450 -16.922 1.00 41.35 H new ATOM 0 HH12 ARG A 71 -16.694 18.652 -18.141 1.00 41.35 H new ATOM 0 HH21 ARG A 71 -15.379 15.443 -17.512 1.00 51.04 H new ATOM 0 HH22 ARG A 71 -16.516 16.393 -18.473 1.00 51.04 H new ATOM 1114 N GLU A 72 -14.019 20.567 -12.791 1.00 31.22 N ATOM 1115 CA GLU A 72 -15.356 21.149 -12.772 1.00 35.24 C ATOM 1116 C GLU A 72 -15.311 22.600 -12.302 1.00 41.13 C ATOM 1117 O GLU A 72 -15.665 23.516 -13.046 1.00 30.52 O ATOM 1118 CB GLU A 72 -16.278 20.335 -11.861 1.00 32.43 C ATOM 1119 CG GLU A 72 -17.110 19.303 -12.602 1.00 72.52 C ATOM 1120 CD GLU A 72 -18.600 19.516 -12.422 1.00 53.12 C ATOM 1121 OE1 GLU A 72 -19.257 19.959 -13.387 1.00 62.30 O ATOM 1122 OE2 GLU A 72 -19.110 19.240 -11.315 1.00 52.44 O ATOM 0 H GLU A 72 -13.854 19.865 -12.070 1.00 31.22 H new ATOM 0 HA GLU A 72 -15.749 21.126 -13.789 1.00 35.24 H new ATOM 0 HB2 GLU A 72 -15.675 19.829 -11.107 1.00 32.43 H new ATOM 0 HB3 GLU A 72 -16.945 21.016 -11.332 1.00 32.43 H new ATOM 0 HG2 GLU A 72 -16.867 19.341 -13.664 1.00 72.52 H new ATOM 0 HG3 GLU A 72 -16.844 18.306 -12.249 1.00 72.52 H new ATOM 1129 N LYS A 73 -14.874 22.802 -11.064 1.00 3.10 N ATOM 1130 CA LYS A 73 -14.781 24.141 -10.494 1.00 54.10 C ATOM 1131 C LYS A 73 -13.821 25.011 -11.300 1.00 32.11 C ATOM 1132 O LYS A 73 -13.925 26.237 -11.293 1.00 64.42 O ATOM 1133 CB LYS A 73 -14.318 24.066 -9.037 1.00 4.22 C ATOM 1134 CG LYS A 73 -15.453 24.160 -8.032 1.00 2.52 C ATOM 1135 CD LYS A 73 -14.940 24.095 -6.603 1.00 65.12 C ATOM 1136 CE LYS A 73 -16.042 24.402 -5.601 1.00 72.20 C ATOM 1137 NZ LYS A 73 -15.673 25.527 -4.698 1.00 1.21 N ATOM 0 H LYS A 73 -14.578 22.055 -10.435 1.00 3.10 H new ATOM 0 HA LYS A 73 -15.772 24.594 -10.531 1.00 54.10 H new ATOM 0 HB2 LYS A 73 -13.784 23.129 -8.882 1.00 4.22 H new ATOM 0 HB3 LYS A 73 -13.609 24.872 -8.848 1.00 4.22 H new ATOM 0 HG2 LYS A 73 -15.997 25.093 -8.182 1.00 2.52 H new ATOM 0 HG3 LYS A 73 -16.160 23.348 -8.203 1.00 2.52 H new ATOM 0 HD2 LYS A 73 -14.534 23.103 -6.406 1.00 65.12 H new ATOM 0 HD3 LYS A 73 -14.123 24.805 -6.476 1.00 65.12 H new ATOM 0 HE2 LYS A 73 -16.959 24.651 -6.135 1.00 72.20 H new ATOM 0 HE3 LYS A 73 -16.250 23.512 -5.006 1.00 72.20 H new ATOM 0 HZ1 LYS A 73 -16.450 25.705 -4.030 1.00 1.21 H new ATOM 0 HZ2 LYS A 73 -14.812 25.280 -4.170 1.00 1.21 H new ATOM 0 HZ3 LYS A 73 -15.499 26.383 -5.263 1.00 1.21 H new ATOM 1151 N PHE A 74 -12.888 24.368 -11.994 1.00 55.45 N ATOM 1152 CA PHE A 74 -11.911 25.082 -12.805 1.00 71.12 C ATOM 1153 C PHE A 74 -12.470 25.381 -14.193 1.00 45.43 C ATOM 1154 O PHE A 74 -12.043 26.326 -14.856 1.00 53.53 O ATOM 1155 CB PHE A 74 -10.623 24.265 -12.927 1.00 64.04 C ATOM 1156 CG PHE A 74 -9.512 24.998 -13.623 1.00 61.22 C ATOM 1157 CD1 PHE A 74 -8.588 25.733 -12.899 1.00 10.03 C ATOM 1158 CD2 PHE A 74 -9.392 24.951 -15.004 1.00 23.54 C ATOM 1159 CE1 PHE A 74 -7.564 26.408 -13.536 1.00 34.32 C ATOM 1160 CE2 PHE A 74 -8.369 25.625 -15.646 1.00 74.14 C ATOM 1161 CZ PHE A 74 -7.455 26.354 -14.912 1.00 13.33 C ATOM 0 H PHE A 74 -12.789 23.353 -12.011 1.00 55.45 H new ATOM 0 HA PHE A 74 -11.688 26.028 -12.311 1.00 71.12 H new ATOM 0 HB2 PHE A 74 -10.289 23.977 -11.930 1.00 64.04 H new ATOM 0 HB3 PHE A 74 -10.836 23.344 -13.470 1.00 64.04 H new ATOM 0 HD1 PHE A 74 -8.669 25.779 -11.823 1.00 10.03 H new ATOM 0 HD2 PHE A 74 -10.104 24.383 -15.584 1.00 23.54 H new ATOM 0 HE1 PHE A 74 -6.850 26.977 -12.959 1.00 34.32 H new ATOM 0 HE2 PHE A 74 -8.285 25.581 -16.722 1.00 74.14 H new ATOM 0 HZ PHE A 74 -6.656 26.881 -15.413 1.00 13.33 H new ATOM 1171 N GLY A 75 -13.429 24.568 -14.627 1.00 25.04 N ATOM 1172 CA GLY A 75 -14.030 24.761 -15.933 1.00 32.33 C ATOM 1173 C GLY A 75 -13.368 23.921 -17.007 1.00 31.50 C ATOM 1174 O GLY A 75 -12.574 23.030 -16.705 1.00 72.13 O ATOM 0 H GLY A 75 -13.800 23.779 -14.097 1.00 25.04 H new ATOM 0 HA2 GLY A 75 -15.090 24.511 -15.882 1.00 32.33 H new ATOM 0 HA3 GLY A 75 -13.964 25.814 -16.208 1.00 32.33 H new ATOM 1178 N SER A 76 -13.695 24.204 -18.264 1.00 31.30 N ATOM 1179 CA SER A 76 -13.130 23.464 -19.386 1.00 61.42 C ATOM 1180 C SER A 76 -11.607 23.432 -19.303 1.00 75.22 C ATOM 1181 O SER A 76 -10.976 24.397 -18.871 1.00 53.11 O ATOM 1182 CB SER A 76 -13.566 24.093 -20.710 1.00 32.01 C ATOM 1183 OG SER A 76 -13.389 25.499 -20.691 1.00 32.32 O ATOM 0 H SER A 76 -14.348 24.940 -18.531 1.00 31.30 H new ATOM 0 HA SER A 76 -13.501 22.440 -19.338 1.00 61.42 H new ATOM 0 HB2 SER A 76 -12.989 23.662 -21.528 1.00 32.01 H new ATOM 0 HB3 SER A 76 -14.613 23.858 -20.900 1.00 32.01 H new ATOM 0 HG SER A 76 -13.674 25.876 -21.550 1.00 32.32 H new ATOM 1189 N SER A 77 -11.022 22.313 -19.721 1.00 22.21 N ATOM 1190 CA SER A 77 -9.573 22.152 -19.691 1.00 21.32 C ATOM 1191 C SER A 77 -9.167 20.785 -20.235 1.00 14.15 C ATOM 1192 O SER A 77 -9.153 19.792 -19.506 1.00 24.13 O ATOM 1193 CB SER A 77 -9.049 22.322 -18.264 1.00 71.35 C ATOM 1194 OG SER A 77 -7.693 21.920 -18.168 1.00 35.33 O ATOM 0 H SER A 77 -11.529 21.506 -20.084 1.00 22.21 H new ATOM 0 HA SER A 77 -9.133 22.922 -20.326 1.00 21.32 H new ATOM 0 HB2 SER A 77 -9.145 23.364 -17.960 1.00 71.35 H new ATOM 0 HB3 SER A 77 -9.656 21.732 -17.577 1.00 71.35 H new ATOM 0 HG SER A 77 -7.193 22.577 -17.640 1.00 35.33 H new ATOM 1200 N LYS A 78 -8.839 20.742 -21.522 1.00 74.52 N ATOM 1201 CA LYS A 78 -8.431 19.498 -22.166 1.00 21.13 C ATOM 1202 C LYS A 78 -7.276 18.847 -21.411 1.00 40.40 C ATOM 1203 O LYS A 78 -7.099 17.630 -21.459 1.00 3.22 O ATOM 1204 CB LYS A 78 -8.022 19.761 -23.616 1.00 53.43 C ATOM 1205 CG LYS A 78 -8.641 18.791 -24.608 1.00 72.40 C ATOM 1206 CD LYS A 78 -7.734 18.564 -25.806 1.00 20.43 C ATOM 1207 CE LYS A 78 -8.102 19.476 -26.965 1.00 51.11 C ATOM 1208 NZ LYS A 78 -7.208 20.664 -27.042 1.00 5.22 N ATOM 0 H LYS A 78 -8.848 21.554 -22.140 1.00 74.52 H new ATOM 0 HA LYS A 78 -9.281 18.816 -22.152 1.00 21.13 H new ATOM 0 HB2 LYS A 78 -8.309 20.777 -23.887 1.00 53.43 H new ATOM 0 HB3 LYS A 78 -6.936 19.704 -23.694 1.00 53.43 H new ATOM 0 HG2 LYS A 78 -8.837 17.840 -24.114 1.00 72.40 H new ATOM 0 HG3 LYS A 78 -9.602 19.179 -24.946 1.00 72.40 H new ATOM 0 HD2 LYS A 78 -6.698 18.741 -25.518 1.00 20.43 H new ATOM 0 HD3 LYS A 78 -7.803 17.524 -26.124 1.00 20.43 H new ATOM 0 HE2 LYS A 78 -8.044 18.917 -27.899 1.00 51.11 H new ATOM 0 HE3 LYS A 78 -9.135 19.806 -26.854 1.00 51.11 H new ATOM 0 HZ1 LYS A 78 -7.492 21.261 -27.845 1.00 5.22 H new ATOM 0 HZ2 LYS A 78 -7.282 21.212 -26.161 1.00 5.22 H new ATOM 0 HZ3 LYS A 78 -6.225 20.351 -27.174 1.00 5.22 H new ATOM 1222 N GLU A 79 -6.495 19.666 -20.715 1.00 22.51 N ATOM 1223 CA GLU A 79 -5.357 19.168 -19.950 1.00 2.11 C ATOM 1224 C GLU A 79 -5.824 18.340 -18.756 1.00 2.35 C ATOM 1225 O GLU A 79 -5.513 17.154 -18.650 1.00 62.10 O ATOM 1226 CB GLU A 79 -4.489 20.333 -19.468 1.00 51.14 C ATOM 1227 CG GLU A 79 -3.434 20.761 -20.474 1.00 5.41 C ATOM 1228 CD GLU A 79 -3.738 22.110 -21.099 1.00 21.22 C ATOM 1229 OE1 GLU A 79 -3.455 22.282 -22.304 1.00 2.55 O ATOM 1230 OE2 GLU A 79 -4.257 22.992 -20.384 1.00 40.10 O ATOM 0 H GLU A 79 -6.628 20.676 -20.665 1.00 22.51 H new ATOM 0 HA GLU A 79 -4.764 18.529 -20.604 1.00 2.11 H new ATOM 0 HB2 GLU A 79 -5.131 21.185 -19.242 1.00 51.14 H new ATOM 0 HB3 GLU A 79 -3.998 20.049 -18.537 1.00 51.14 H new ATOM 0 HG2 GLU A 79 -2.463 20.804 -19.981 1.00 5.41 H new ATOM 0 HG3 GLU A 79 -3.360 20.009 -21.260 1.00 5.41 H new ATOM 1237 N ILE A 80 -6.573 18.976 -17.860 1.00 71.32 N ATOM 1238 CA ILE A 80 -7.083 18.299 -16.674 1.00 52.14 C ATOM 1239 C ILE A 80 -7.997 17.140 -17.054 1.00 35.30 C ATOM 1240 O ILE A 80 -7.972 16.083 -16.423 1.00 64.31 O ATOM 1241 CB ILE A 80 -7.855 19.269 -15.761 1.00 34.14 C ATOM 1242 CG1 ILE A 80 -6.992 20.488 -15.429 1.00 2.24 C ATOM 1243 CG2 ILE A 80 -8.294 18.562 -14.487 1.00 21.01 C ATOM 1244 CD1 ILE A 80 -7.714 21.535 -14.610 1.00 15.04 C ATOM 0 H ILE A 80 -6.839 19.958 -17.933 1.00 71.32 H new ATOM 0 HA ILE A 80 -6.218 17.915 -16.133 1.00 52.14 H new ATOM 0 HB ILE A 80 -8.745 19.610 -16.289 1.00 34.14 H new ATOM 0 HG12 ILE A 80 -6.107 20.159 -14.884 1.00 2.24 H new ATOM 0 HG13 ILE A 80 -6.645 20.941 -16.358 1.00 2.24 H new ATOM 0 HG21 ILE A 80 -8.838 19.261 -13.852 1.00 21.01 H new ATOM 0 HG22 ILE A 80 -8.941 17.723 -14.741 1.00 21.01 H new ATOM 0 HG23 ILE A 80 -7.417 18.195 -13.954 1.00 21.01 H new ATOM 0 HD11 ILE A 80 -7.042 22.370 -14.412 1.00 15.04 H new ATOM 0 HD12 ILE A 80 -8.584 21.892 -15.161 1.00 15.04 H new ATOM 0 HD13 ILE A 80 -8.038 21.098 -13.665 1.00 15.04 H new ATOM 1256 N ASP A 81 -8.803 17.344 -18.090 1.00 14.11 N ATOM 1257 CA ASP A 81 -9.725 16.314 -18.557 1.00 12.14 C ATOM 1258 C ASP A 81 -8.973 15.036 -18.916 1.00 53.43 C ATOM 1259 O ASP A 81 -9.360 13.941 -18.507 1.00 11.53 O ATOM 1260 CB ASP A 81 -10.512 16.816 -19.767 1.00 40.15 C ATOM 1261 CG ASP A 81 -11.816 17.482 -19.375 1.00 11.43 C ATOM 1262 OD1 ASP A 81 -12.598 16.861 -18.624 1.00 51.40 O ATOM 1263 OD2 ASP A 81 -12.055 18.625 -19.818 1.00 3.34 O ATOM 0 H ASP A 81 -8.837 18.213 -18.623 1.00 14.11 H new ATOM 0 HA ASP A 81 -10.422 16.089 -17.749 1.00 12.14 H new ATOM 0 HB2 ASP A 81 -9.900 17.524 -20.326 1.00 40.15 H new ATOM 0 HB3 ASP A 81 -10.721 15.979 -20.433 1.00 40.15 H new ATOM 1268 N MET A 82 -7.899 15.183 -19.685 1.00 53.23 N ATOM 1269 CA MET A 82 -7.095 14.040 -20.100 1.00 11.23 C ATOM 1270 C MET A 82 -6.526 13.307 -18.888 1.00 40.41 C ATOM 1271 O MET A 82 -6.653 12.089 -18.772 1.00 63.41 O ATOM 1272 CB MET A 82 -5.957 14.495 -21.015 1.00 42.22 C ATOM 1273 CG MET A 82 -5.102 13.352 -21.535 1.00 62.52 C ATOM 1274 SD MET A 82 -4.110 13.822 -22.968 1.00 14.03 S ATOM 1275 CE MET A 82 -4.810 12.757 -24.226 1.00 50.33 C ATOM 0 H MET A 82 -7.566 16.082 -20.033 1.00 53.23 H new ATOM 0 HA MET A 82 -7.740 13.354 -20.648 1.00 11.23 H new ATOM 0 HB2 MET A 82 -6.377 15.038 -21.862 1.00 42.22 H new ATOM 0 HB3 MET A 82 -5.322 15.195 -20.471 1.00 42.22 H new ATOM 0 HG2 MET A 82 -4.443 13.006 -20.739 1.00 62.52 H new ATOM 0 HG3 MET A 82 -5.746 12.514 -21.803 1.00 62.52 H new ATOM 0 HE1 MET A 82 -4.300 12.930 -25.174 1.00 50.33 H new ATOM 0 HE2 MET A 82 -4.685 11.715 -23.932 1.00 50.33 H new ATOM 0 HE3 MET A 82 -5.872 12.977 -24.339 1.00 50.33 H new ATOM 1285 N ALA A 83 -5.900 14.059 -17.988 1.00 64.23 N ATOM 1286 CA ALA A 83 -5.314 13.481 -16.786 1.00 71.41 C ATOM 1287 C ALA A 83 -6.324 12.611 -16.045 1.00 50.45 C ATOM 1288 O ALA A 83 -5.975 11.565 -15.500 1.00 75.11 O ATOM 1289 CB ALA A 83 -4.791 14.579 -15.872 1.00 23.13 C ATOM 0 H ALA A 83 -5.786 15.069 -18.069 1.00 64.23 H new ATOM 0 HA ALA A 83 -4.480 12.847 -17.088 1.00 71.41 H new ATOM 0 HB1 ALA A 83 -4.356 14.132 -14.978 1.00 23.13 H new ATOM 0 HB2 ALA A 83 -4.030 15.157 -16.396 1.00 23.13 H new ATOM 0 HB3 ALA A 83 -5.612 15.236 -15.586 1.00 23.13 H new ATOM 1295 N ILE A 84 -7.578 13.052 -16.030 1.00 21.11 N ATOM 1296 CA ILE A 84 -8.639 12.313 -15.357 1.00 65.32 C ATOM 1297 C ILE A 84 -8.882 10.966 -16.028 1.00 72.35 C ATOM 1298 O ILE A 84 -8.816 9.919 -15.384 1.00 62.31 O ATOM 1299 CB ILE A 84 -9.956 13.111 -15.340 1.00 33.31 C ATOM 1300 CG1 ILE A 84 -9.772 14.427 -14.582 1.00 3.01 C ATOM 1301 CG2 ILE A 84 -11.068 12.283 -14.710 1.00 42.44 C ATOM 1302 CD1 ILE A 84 -10.695 15.529 -15.052 1.00 43.14 C ATOM 0 H ILE A 84 -7.884 13.917 -16.476 1.00 21.11 H new ATOM 0 HA ILE A 84 -8.309 12.150 -14.331 1.00 65.32 H new ATOM 0 HB ILE A 84 -10.237 13.342 -16.368 1.00 33.31 H new ATOM 0 HG12 ILE A 84 -9.940 14.252 -13.519 1.00 3.01 H new ATOM 0 HG13 ILE A 84 -8.739 14.758 -14.691 1.00 3.01 H new ATOM 0 HG21 ILE A 84 -11.993 12.860 -14.705 1.00 42.44 H new ATOM 0 HG22 ILE A 84 -11.213 11.370 -15.287 1.00 42.44 H new ATOM 0 HG23 ILE A 84 -10.795 12.026 -13.687 1.00 42.44 H new ATOM 0 HD11 ILE A 84 -10.509 16.432 -14.471 1.00 43.14 H new ATOM 0 HD12 ILE A 84 -10.511 15.732 -16.107 1.00 43.14 H new ATOM 0 HD13 ILE A 84 -11.731 15.218 -14.918 1.00 43.14 H new ATOM 1314 N VAL A 85 -9.161 11.000 -17.327 1.00 43.24 N ATOM 1315 CA VAL A 85 -9.411 9.781 -18.087 1.00 63.03 C ATOM 1316 C VAL A 85 -8.302 8.759 -17.867 1.00 34.43 C ATOM 1317 O VAL A 85 -8.562 7.560 -17.747 1.00 24.11 O ATOM 1318 CB VAL A 85 -9.529 10.075 -19.595 1.00 53.43 C ATOM 1319 CG1 VAL A 85 -9.756 8.788 -20.374 1.00 71.30 C ATOM 1320 CG2 VAL A 85 -10.651 11.070 -19.856 1.00 44.13 C ATOM 0 H VAL A 85 -9.220 11.858 -17.875 1.00 43.24 H new ATOM 0 HA VAL A 85 -10.355 9.372 -17.728 1.00 63.03 H new ATOM 0 HB VAL A 85 -8.593 10.518 -19.936 1.00 53.43 H new ATOM 0 HG11 VAL A 85 -9.837 9.016 -21.437 1.00 71.30 H new ATOM 0 HG12 VAL A 85 -8.917 8.111 -20.211 1.00 71.30 H new ATOM 0 HG13 VAL A 85 -10.677 8.314 -20.033 1.00 71.30 H new ATOM 0 HG21 VAL A 85 -10.721 11.267 -20.926 1.00 44.13 H new ATOM 0 HG22 VAL A 85 -11.595 10.656 -19.501 1.00 44.13 H new ATOM 0 HG23 VAL A 85 -10.442 12.001 -19.329 1.00 44.13 H new ATOM 1330 N THR A 86 -7.064 9.238 -17.812 1.00 32.34 N ATOM 1331 CA THR A 86 -5.914 8.366 -17.604 1.00 42.24 C ATOM 1332 C THR A 86 -5.954 7.723 -16.224 1.00 23.44 C ATOM 1333 O THR A 86 -5.832 6.505 -16.091 1.00 30.43 O ATOM 1334 CB THR A 86 -4.590 9.136 -17.763 1.00 22.34 C ATOM 1335 OG1 THR A 86 -4.480 9.655 -19.093 1.00 62.31 O ATOM 1336 CG2 THR A 86 -3.401 8.234 -17.466 1.00 20.23 C ATOM 0 H THR A 86 -6.831 10.226 -17.909 1.00 32.34 H new ATOM 0 HA THR A 86 -5.966 7.587 -18.365 1.00 42.24 H new ATOM 0 HB THR A 86 -4.588 9.961 -17.051 1.00 22.34 H new ATOM 0 HG1 THR A 86 -5.083 10.421 -19.196 1.00 62.31 H new ATOM 0 HG21 THR A 86 -2.477 8.799 -17.585 1.00 20.23 H new ATOM 0 HG22 THR A 86 -3.471 7.864 -16.443 1.00 20.23 H new ATOM 0 HG23 THR A 86 -3.402 7.391 -18.157 1.00 20.23 H new ATOM 1344 N LEU A 87 -6.125 8.548 -15.196 1.00 43.44 N ATOM 1345 CA LEU A 87 -6.182 8.059 -13.824 1.00 21.44 C ATOM 1346 C LEU A 87 -7.191 6.923 -13.691 1.00 20.34 C ATOM 1347 O LEU A 87 -7.002 6.000 -12.898 1.00 34.10 O ATOM 1348 CB LEU A 87 -6.549 9.198 -12.870 1.00 53.04 C ATOM 1349 CG LEU A 87 -6.866 8.791 -11.430 1.00 4.44 C ATOM 1350 CD1 LEU A 87 -5.640 8.182 -10.767 1.00 14.13 C ATOM 1351 CD2 LEU A 87 -7.365 9.990 -10.636 1.00 4.30 C ATOM 0 H LEU A 87 -6.227 9.559 -15.288 1.00 43.44 H new ATOM 0 HA LEU A 87 -5.196 7.676 -13.560 1.00 21.44 H new ATOM 0 HB2 LEU A 87 -5.724 9.910 -12.852 1.00 53.04 H new ATOM 0 HB3 LEU A 87 -7.414 9.722 -13.277 1.00 53.04 H new ATOM 0 HG LEU A 87 -7.655 8.039 -11.449 1.00 4.44 H new ATOM 0 HD11 LEU A 87 -5.883 7.898 -9.743 1.00 14.13 H new ATOM 0 HD12 LEU A 87 -5.326 7.299 -11.324 1.00 14.13 H new ATOM 0 HD13 LEU A 87 -4.831 8.912 -10.759 1.00 14.13 H new ATOM 0 HD21 LEU A 87 -7.586 9.683 -9.614 1.00 4.30 H new ATOM 0 HD22 LEU A 87 -6.597 10.764 -10.625 1.00 4.30 H new ATOM 0 HD23 LEU A 87 -8.269 10.383 -11.100 1.00 4.30 H new ATOM 1363 N LYS A 88 -8.262 6.996 -14.473 1.00 3.30 N ATOM 1364 CA LYS A 88 -9.300 5.973 -14.447 1.00 45.52 C ATOM 1365 C LYS A 88 -8.787 4.661 -15.033 1.00 64.41 C ATOM 1366 O LYS A 88 -8.765 3.634 -14.355 1.00 70.14 O ATOM 1367 CB LYS A 88 -10.530 6.445 -15.227 1.00 13.12 C ATOM 1368 CG LYS A 88 -11.455 7.340 -14.420 1.00 71.44 C ATOM 1369 CD LYS A 88 -11.551 8.731 -15.023 1.00 24.23 C ATOM 1370 CE LYS A 88 -12.960 9.292 -14.912 1.00 61.42 C ATOM 1371 NZ LYS A 88 -13.414 9.909 -16.189 1.00 72.12 N ATOM 0 H LYS A 88 -8.434 7.754 -15.133 1.00 3.30 H new ATOM 0 HA LYS A 88 -9.579 5.802 -13.407 1.00 45.52 H new ATOM 0 HB2 LYS A 88 -10.202 6.983 -16.116 1.00 13.12 H new ATOM 0 HB3 LYS A 88 -11.089 5.574 -15.570 1.00 13.12 H new ATOM 0 HG2 LYS A 88 -12.448 6.893 -14.375 1.00 71.44 H new ATOM 0 HG3 LYS A 88 -11.091 7.411 -13.395 1.00 71.44 H new ATOM 0 HD2 LYS A 88 -10.852 9.397 -14.516 1.00 24.23 H new ATOM 0 HD3 LYS A 88 -11.254 8.695 -16.071 1.00 24.23 H new ATOM 0 HE2 LYS A 88 -13.647 8.494 -14.630 1.00 61.42 H new ATOM 0 HE3 LYS A 88 -12.993 10.037 -14.117 1.00 61.42 H new ATOM 0 HZ1 LYS A 88 -13.776 10.866 -16.003 1.00 72.12 H new ATOM 0 HZ2 LYS A 88 -12.614 9.964 -16.852 1.00 72.12 H new ATOM 0 HZ3 LYS A 88 -14.170 9.328 -16.606 1.00 72.12 H new ATOM 1385 N VAL A 89 -8.373 4.703 -16.296 1.00 1.24 N ATOM 1386 CA VAL A 89 -7.857 3.520 -16.971 1.00 73.13 C ATOM 1387 C VAL A 89 -6.655 2.945 -16.231 1.00 62.52 C ATOM 1388 O VAL A 89 -6.420 1.736 -16.247 1.00 54.53 O ATOM 1389 CB VAL A 89 -7.450 3.834 -18.423 1.00 72.14 C ATOM 1390 CG1 VAL A 89 -6.454 4.983 -18.462 1.00 73.52 C ATOM 1391 CG2 VAL A 89 -6.875 2.596 -19.095 1.00 11.21 C ATOM 0 H VAL A 89 -8.385 5.545 -16.872 1.00 1.24 H new ATOM 0 HA VAL A 89 -8.661 2.784 -16.978 1.00 73.13 H new ATOM 0 HB VAL A 89 -8.340 4.138 -18.974 1.00 72.14 H new ATOM 0 HG11 VAL A 89 -6.178 5.190 -19.496 1.00 73.52 H new ATOM 0 HG12 VAL A 89 -6.906 5.872 -18.022 1.00 73.52 H new ATOM 0 HG13 VAL A 89 -5.563 4.711 -17.896 1.00 73.52 H new ATOM 0 HG21 VAL A 89 -6.593 2.836 -20.120 1.00 11.21 H new ATOM 0 HG22 VAL A 89 -5.996 2.259 -18.546 1.00 11.21 H new ATOM 0 HG23 VAL A 89 -7.624 1.804 -19.101 1.00 11.21 H new ATOM 1401 N PHE A 90 -5.893 3.819 -15.582 1.00 24.51 N ATOM 1402 CA PHE A 90 -4.712 3.399 -14.835 1.00 45.31 C ATOM 1403 C PHE A 90 -5.106 2.564 -13.621 1.00 13.01 C ATOM 1404 O PHE A 90 -4.601 1.459 -13.424 1.00 42.44 O ATOM 1405 CB PHE A 90 -3.904 4.620 -14.389 1.00 10.31 C ATOM 1406 CG PHE A 90 -2.422 4.381 -14.366 1.00 25.35 C ATOM 1407 CD1 PHE A 90 -1.549 5.308 -14.913 1.00 73.34 C ATOM 1408 CD2 PHE A 90 -1.901 3.230 -13.797 1.00 30.04 C ATOM 1409 CE1 PHE A 90 -0.184 5.091 -14.893 1.00 23.21 C ATOM 1410 CE2 PHE A 90 -0.537 3.008 -13.773 1.00 25.21 C ATOM 1411 CZ PHE A 90 0.323 3.939 -14.323 1.00 43.01 C ATOM 0 H PHE A 90 -6.072 4.823 -15.558 1.00 24.51 H new ATOM 0 HA PHE A 90 -4.096 2.785 -15.492 1.00 45.31 H new ATOM 0 HB2 PHE A 90 -4.119 5.453 -15.058 1.00 10.31 H new ATOM 0 HB3 PHE A 90 -4.231 4.919 -13.393 1.00 10.31 H new ATOM 0 HD1 PHE A 90 -1.940 6.210 -15.360 1.00 73.34 H new ATOM 0 HD2 PHE A 90 -2.569 2.498 -13.367 1.00 30.04 H new ATOM 0 HE1 PHE A 90 0.486 5.821 -15.323 1.00 23.21 H new ATOM 0 HE2 PHE A 90 -0.144 2.108 -13.325 1.00 25.21 H new ATOM 0 HZ PHE A 90 1.389 3.767 -14.307 1.00 43.01 H new ATOM 1421 N ALA A 91 -6.011 3.101 -12.808 1.00 44.33 N ATOM 1422 CA ALA A 91 -6.473 2.405 -11.615 1.00 0.44 C ATOM 1423 C ALA A 91 -6.974 1.006 -11.954 1.00 53.41 C ATOM 1424 O ALA A 91 -6.631 0.033 -11.283 1.00 34.42 O ATOM 1425 CB ALA A 91 -7.568 3.208 -10.928 1.00 32.22 C ATOM 0 H ALA A 91 -6.438 4.016 -12.955 1.00 44.33 H new ATOM 0 HA ALA A 91 -5.629 2.304 -10.933 1.00 0.44 H new ATOM 0 HB1 ALA A 91 -7.905 2.677 -10.038 1.00 32.22 H new ATOM 0 HB2 ALA A 91 -7.178 4.185 -10.642 1.00 32.22 H new ATOM 0 HB3 ALA A 91 -8.407 3.338 -11.612 1.00 32.22 H new ATOM 1431 N VAL A 92 -7.791 0.911 -12.999 1.00 64.32 N ATOM 1432 CA VAL A 92 -8.338 -0.370 -13.429 1.00 14.05 C ATOM 1433 C VAL A 92 -7.261 -1.245 -14.058 1.00 53.44 C ATOM 1434 O VAL A 92 -7.237 -2.459 -13.856 1.00 40.25 O ATOM 1435 CB VAL A 92 -9.486 -0.179 -14.439 1.00 31.12 C ATOM 1436 CG1 VAL A 92 -8.999 0.583 -15.661 1.00 54.33 C ATOM 1437 CG2 VAL A 92 -10.073 -1.525 -14.837 1.00 41.24 C ATOM 0 H VAL A 92 -8.088 1.707 -13.563 1.00 64.32 H new ATOM 0 HA VAL A 92 -8.726 -0.864 -12.538 1.00 14.05 H new ATOM 0 HB VAL A 92 -10.272 0.408 -13.965 1.00 31.12 H new ATOM 0 HG11 VAL A 92 -9.823 0.709 -16.364 1.00 54.33 H new ATOM 0 HG12 VAL A 92 -8.630 1.562 -15.356 1.00 54.33 H new ATOM 0 HG13 VAL A 92 -8.195 0.025 -16.141 1.00 54.33 H new ATOM 0 HG21 VAL A 92 -10.883 -1.372 -15.551 1.00 41.24 H new ATOM 0 HG22 VAL A 92 -9.297 -2.139 -15.294 1.00 41.24 H new ATOM 0 HG23 VAL A 92 -10.460 -2.029 -13.952 1.00 41.24 H new ATOM 1447 N ALA A 93 -6.371 -0.621 -14.823 1.00 34.04 N ATOM 1448 CA ALA A 93 -5.289 -1.344 -15.481 1.00 10.23 C ATOM 1449 C ALA A 93 -4.333 -1.948 -14.460 1.00 20.45 C ATOM 1450 O ALA A 93 -3.573 -2.865 -14.772 1.00 52.40 O ATOM 1451 CB ALA A 93 -4.539 -0.420 -16.428 1.00 44.35 C ATOM 0 H ALA A 93 -6.378 0.383 -15.002 1.00 34.04 H new ATOM 0 HA ALA A 93 -5.726 -2.160 -16.057 1.00 10.23 H new ATOM 0 HB1 ALA A 93 -3.734 -0.972 -16.913 1.00 44.35 H new ATOM 0 HB2 ALA A 93 -5.225 -0.040 -17.185 1.00 44.35 H new ATOM 0 HB3 ALA A 93 -4.120 0.415 -15.866 1.00 44.35 H new ATOM 1457 N GLY A 94 -4.373 -1.428 -13.236 1.00 53.03 N ATOM 1458 CA GLY A 94 -3.504 -1.929 -12.188 1.00 65.53 C ATOM 1459 C GLY A 94 -4.252 -2.753 -11.158 1.00 23.12 C ATOM 1460 O GLY A 94 -4.035 -3.959 -11.041 1.00 41.12 O ATOM 0 H GLY A 94 -4.992 -0.669 -12.952 1.00 53.03 H new ATOM 0 HA2 GLY A 94 -2.717 -2.537 -12.633 1.00 65.53 H new ATOM 0 HA3 GLY A 94 -3.016 -1.089 -11.692 1.00 65.53 H new ATOM 1464 N LEU A 95 -5.134 -2.101 -10.409 1.00 2.44 N ATOM 1465 CA LEU A 95 -5.916 -2.780 -9.382 1.00 13.52 C ATOM 1466 C LEU A 95 -6.707 -3.939 -9.979 1.00 34.10 C ATOM 1467 O LEU A 95 -6.868 -4.985 -9.348 1.00 52.12 O ATOM 1468 CB LEU A 95 -6.868 -1.794 -8.703 1.00 35.14 C ATOM 1469 CG LEU A 95 -6.240 -0.862 -7.665 1.00 52.32 C ATOM 1470 CD1 LEU A 95 -5.537 -1.666 -6.582 1.00 11.42 C ATOM 1471 CD2 LEU A 95 -5.271 0.102 -8.332 1.00 64.34 C ATOM 0 H LEU A 95 -5.326 -1.103 -10.494 1.00 2.44 H new ATOM 0 HA LEU A 95 -5.226 -3.179 -8.639 1.00 13.52 H new ATOM 0 HB2 LEU A 95 -7.337 -1.183 -9.474 1.00 35.14 H new ATOM 0 HB3 LEU A 95 -7.663 -2.362 -8.219 1.00 35.14 H new ATOM 0 HG LEU A 95 -7.035 -0.281 -7.198 1.00 52.32 H new ATOM 0 HD11 LEU A 95 -5.096 -0.986 -5.853 1.00 11.42 H new ATOM 0 HD12 LEU A 95 -6.258 -2.315 -6.084 1.00 11.42 H new ATOM 0 HD13 LEU A 95 -4.752 -2.274 -7.032 1.00 11.42 H new ATOM 0 HD21 LEU A 95 -4.834 0.757 -7.579 1.00 64.34 H new ATOM 0 HD22 LEU A 95 -4.480 -0.461 -8.826 1.00 64.34 H new ATOM 0 HD23 LEU A 95 -5.804 0.702 -9.069 1.00 64.34 H new ATOM 1483 N LEU A 96 -7.198 -3.749 -11.198 1.00 43.41 N ATOM 1484 CA LEU A 96 -7.971 -4.779 -11.882 1.00 41.25 C ATOM 1485 C LEU A 96 -7.110 -5.520 -12.902 1.00 14.44 C ATOM 1486 O LEU A 96 -7.547 -6.502 -13.498 1.00 65.44 O ATOM 1487 CB LEU A 96 -9.185 -4.158 -12.577 1.00 21.21 C ATOM 1488 CG LEU A 96 -10.522 -4.862 -12.349 1.00 51.52 C ATOM 1489 CD1 LEU A 96 -11.646 -3.845 -12.222 1.00 73.52 C ATOM 1490 CD2 LEU A 96 -10.810 -5.839 -13.479 1.00 34.10 C ATOM 0 H LEU A 96 -7.074 -2.890 -11.734 1.00 43.41 H new ATOM 0 HA LEU A 96 -8.315 -5.495 -11.136 1.00 41.25 H new ATOM 0 HB2 LEU A 96 -9.280 -3.125 -12.244 1.00 21.21 H new ATOM 0 HB3 LEU A 96 -8.990 -4.130 -13.649 1.00 21.21 H new ATOM 0 HG LEU A 96 -10.461 -5.424 -11.417 1.00 51.52 H new ATOM 0 HD11 LEU A 96 -12.590 -4.365 -12.060 1.00 73.52 H new ATOM 0 HD12 LEU A 96 -11.446 -3.185 -11.378 1.00 73.52 H new ATOM 0 HD13 LEU A 96 -11.708 -3.256 -13.137 1.00 73.52 H new ATOM 0 HD21 LEU A 96 -11.766 -6.331 -13.300 1.00 34.10 H new ATOM 0 HD22 LEU A 96 -10.851 -5.299 -14.425 1.00 34.10 H new ATOM 0 HD23 LEU A 96 -10.019 -6.588 -13.523 1.00 34.10 H new ATOM 1502 N ASN A 97 -5.886 -5.040 -13.092 1.00 53.25 N ATOM 1503 CA ASN A 97 -4.963 -5.658 -14.039 1.00 32.34 C ATOM 1504 C ASN A 97 -5.620 -5.833 -15.404 1.00 20.31 C ATOM 1505 O ASN A 97 -5.296 -6.761 -16.145 1.00 14.52 O ATOM 1506 CB ASN A 97 -4.489 -7.014 -13.510 1.00 1.33 C ATOM 1507 CG ASN A 97 -4.025 -6.941 -12.068 1.00 72.12 C ATOM 1508 OD1 ASN A 97 -4.793 -7.207 -11.142 1.00 45.32 O ATOM 1509 ND2 ASN A 97 -2.762 -6.581 -11.871 1.00 21.35 N ATOM 0 H ASN A 97 -5.510 -4.227 -12.604 1.00 53.25 H new ATOM 0 HA ASN A 97 -4.102 -4.999 -14.152 1.00 32.34 H new ATOM 0 HB2 ASN A 97 -5.301 -7.737 -13.592 1.00 1.33 H new ATOM 0 HB3 ASN A 97 -3.673 -7.379 -14.134 1.00 1.33 H new ATOM 0 HD21 ASN A 97 -2.392 -6.516 -10.923 1.00 21.35 H new ATOM 0 HD22 ASN A 97 -2.162 -6.370 -12.668 1.00 21.35 H new ATOM 1516 N MET A 98 -6.544 -4.935 -15.729 1.00 45.23 N ATOM 1517 CA MET A 98 -7.245 -4.990 -17.008 1.00 21.23 C ATOM 1518 C MET A 98 -6.351 -4.495 -18.140 1.00 64.45 C ATOM 1519 O MET A 98 -5.631 -3.506 -17.992 1.00 35.44 O ATOM 1520 CB MET A 98 -8.523 -4.151 -16.948 1.00 54.30 C ATOM 1521 CG MET A 98 -9.771 -4.966 -16.648 1.00 13.21 C ATOM 1522 SD MET A 98 -10.688 -5.406 -18.136 1.00 25.23 S ATOM 1523 CE MET A 98 -12.027 -6.369 -17.436 1.00 42.35 C ATOM 0 H MET A 98 -6.825 -4.162 -15.126 1.00 45.23 H new ATOM 0 HA MET A 98 -7.509 -6.029 -17.206 1.00 21.23 H new ATOM 0 HB2 MET A 98 -8.408 -3.383 -16.183 1.00 54.30 H new ATOM 0 HB3 MET A 98 -8.655 -3.636 -17.900 1.00 54.30 H new ATOM 0 HG2 MET A 98 -9.487 -5.876 -16.118 1.00 13.21 H new ATOM 0 HG3 MET A 98 -10.419 -4.398 -15.981 1.00 13.21 H new ATOM 0 HE1 MET A 98 -12.684 -6.714 -18.235 1.00 42.35 H new ATOM 0 HE2 MET A 98 -11.618 -7.229 -16.906 1.00 42.35 H new ATOM 0 HE3 MET A 98 -12.595 -5.751 -16.741 1.00 42.35 H new ATOM 1533 N THR A 99 -6.400 -5.189 -19.273 1.00 0.41 N ATOM 1534 CA THR A 99 -5.594 -4.820 -20.430 1.00 32.10 C ATOM 1535 C THR A 99 -6.445 -4.151 -21.503 1.00 54.14 C ATOM 1536 O THR A 99 -6.441 -4.566 -22.662 1.00 34.42 O ATOM 1537 CB THR A 99 -4.893 -6.049 -21.039 1.00 60.44 C ATOM 1538 OG1 THR A 99 -4.308 -6.844 -20.003 1.00 32.53 O ATOM 1539 CG2 THR A 99 -3.817 -5.623 -22.027 1.00 72.45 C ATOM 0 H THR A 99 -6.989 -6.010 -19.414 1.00 0.41 H new ATOM 0 HA THR A 99 -4.839 -4.116 -20.079 1.00 32.10 H new ATOM 0 HB THR A 99 -5.640 -6.639 -21.570 1.00 60.44 H new ATOM 0 HG1 THR A 99 -3.866 -7.624 -20.399 1.00 32.53 H new ATOM 0 HG21 THR A 99 -3.336 -6.507 -22.444 1.00 72.45 H new ATOM 0 HG22 THR A 99 -4.270 -5.043 -22.831 1.00 72.45 H new ATOM 0 HG23 THR A 99 -3.073 -5.013 -21.514 1.00 72.45 H new ATOM 1547 N VAL A 100 -7.174 -3.111 -21.110 1.00 65.41 N ATOM 1548 CA VAL A 100 -8.029 -2.382 -22.039 1.00 42.45 C ATOM 1549 C VAL A 100 -7.256 -1.966 -23.286 1.00 0.54 C ATOM 1550 O VAL A 100 -6.031 -2.076 -23.335 1.00 53.41 O ATOM 1551 CB VAL A 100 -8.634 -1.129 -21.380 1.00 65.13 C ATOM 1552 CG1 VAL A 100 -9.737 -1.516 -20.408 1.00 53.32 C ATOM 1553 CG2 VAL A 100 -7.552 -0.322 -20.678 1.00 30.53 C ATOM 0 H VAL A 100 -7.189 -2.755 -20.154 1.00 65.41 H new ATOM 0 HA VAL A 100 -8.836 -3.058 -22.324 1.00 42.45 H new ATOM 0 HB VAL A 100 -9.073 -0.506 -22.159 1.00 65.13 H new ATOM 0 HG11 VAL A 100 -10.152 -0.617 -19.952 1.00 53.32 H new ATOM 0 HG12 VAL A 100 -10.523 -2.048 -20.943 1.00 53.32 H new ATOM 0 HG13 VAL A 100 -9.327 -2.161 -19.631 1.00 53.32 H new ATOM 0 HG21 VAL A 100 -7.997 0.560 -20.218 1.00 30.53 H new ATOM 0 HG22 VAL A 100 -7.082 -0.935 -19.909 1.00 30.53 H new ATOM 0 HG23 VAL A 100 -6.800 -0.012 -21.404 1.00 30.53 H new ATOM 1563 N SER A 101 -7.981 -1.484 -24.291 1.00 72.01 N ATOM 1564 CA SER A 101 -7.364 -1.053 -25.539 1.00 50.35 C ATOM 1565 C SER A 101 -7.022 0.433 -25.492 1.00 13.31 C ATOM 1566 O SER A 101 -5.946 0.850 -25.920 1.00 73.42 O ATOM 1567 CB SER A 101 -8.297 -1.337 -26.718 1.00 5.00 C ATOM 1568 OG SER A 101 -7.758 -2.336 -27.567 1.00 32.45 O ATOM 0 H SER A 101 -8.996 -1.382 -24.265 1.00 72.01 H new ATOM 0 HA SER A 101 -6.440 -1.616 -25.672 1.00 50.35 H new ATOM 0 HB2 SER A 101 -9.270 -1.658 -26.346 1.00 5.00 H new ATOM 0 HB3 SER A 101 -8.459 -0.421 -27.286 1.00 5.00 H new ATOM 0 HG SER A 101 -8.374 -2.500 -28.311 1.00 32.45 H new ATOM 1574 N THR A 102 -7.949 1.231 -24.968 1.00 62.43 N ATOM 1575 CA THR A 102 -7.749 2.670 -24.865 1.00 61.32 C ATOM 1576 C THR A 102 -8.171 3.187 -23.495 1.00 1.51 C ATOM 1577 O THR A 102 -8.943 2.540 -22.789 1.00 34.24 O ATOM 1578 CB THR A 102 -8.536 3.426 -25.952 1.00 1.23 C ATOM 1579 OG1 THR A 102 -9.934 3.415 -25.641 1.00 52.22 O ATOM 1580 CG2 THR A 102 -8.309 2.799 -27.319 1.00 11.52 C ATOM 0 H THR A 102 -8.846 0.903 -24.609 1.00 62.43 H new ATOM 0 HA THR A 102 -6.684 2.852 -25.006 1.00 61.32 H new ATOM 0 HB THR A 102 -8.179 4.455 -25.979 1.00 1.23 H new ATOM 0 HG1 THR A 102 -10.427 3.899 -26.336 1.00 52.22 H new ATOM 0 HG21 THR A 102 -8.875 3.350 -28.070 1.00 11.52 H new ATOM 0 HG22 THR A 102 -7.248 2.836 -27.565 1.00 11.52 H new ATOM 0 HG23 THR A 102 -8.642 1.761 -27.303 1.00 11.52 H new ATOM 1588 N ALA A 103 -7.661 4.358 -23.126 1.00 65.43 N ATOM 1589 CA ALA A 103 -7.988 4.962 -21.841 1.00 13.04 C ATOM 1590 C ALA A 103 -9.476 5.283 -21.748 1.00 74.03 C ATOM 1591 O ALA A 103 -10.072 5.201 -20.675 1.00 73.03 O ATOM 1592 CB ALA A 103 -7.161 6.221 -21.625 1.00 34.15 C ATOM 0 H ALA A 103 -7.020 4.907 -23.699 1.00 65.43 H new ATOM 0 HA ALA A 103 -7.748 4.243 -21.058 1.00 13.04 H new ATOM 0 HB1 ALA A 103 -7.415 6.662 -20.661 1.00 34.15 H new ATOM 0 HB2 ALA A 103 -6.101 5.967 -21.640 1.00 34.15 H new ATOM 0 HB3 ALA A 103 -7.374 6.937 -22.419 1.00 34.15 H new ATOM 1598 N ALA A 104 -10.069 5.649 -22.880 1.00 32.04 N ATOM 1599 CA ALA A 104 -11.489 5.980 -22.926 1.00 23.35 C ATOM 1600 C ALA A 104 -12.347 4.760 -22.612 1.00 13.22 C ATOM 1601 O ALA A 104 -13.249 4.822 -21.776 1.00 23.35 O ATOM 1602 CB ALA A 104 -11.853 6.549 -24.288 1.00 54.31 C ATOM 0 H ALA A 104 -9.589 5.724 -23.777 1.00 32.04 H new ATOM 0 HA ALA A 104 -11.687 6.735 -22.165 1.00 23.35 H new ATOM 0 HB1 ALA A 104 -12.915 6.792 -24.309 1.00 54.31 H new ATOM 0 HB2 ALA A 104 -11.271 7.452 -24.473 1.00 54.31 H new ATOM 0 HB3 ALA A 104 -11.634 5.812 -25.061 1.00 54.31 H new ATOM 1608 N ALA A 105 -12.063 3.653 -23.287 1.00 53.14 N ATOM 1609 CA ALA A 105 -12.809 2.417 -23.080 1.00 14.22 C ATOM 1610 C ALA A 105 -12.749 1.979 -21.620 1.00 70.21 C ATOM 1611 O ALA A 105 -13.769 1.644 -21.020 1.00 1.25 O ATOM 1612 CB ALA A 105 -12.274 1.318 -23.986 1.00 12.12 C ATOM 0 H ALA A 105 -11.321 3.585 -23.983 1.00 53.14 H new ATOM 0 HA ALA A 105 -13.852 2.604 -23.334 1.00 14.22 H new ATOM 0 HB1 ALA A 105 -12.841 0.402 -23.820 1.00 12.12 H new ATOM 0 HB2 ALA A 105 -12.375 1.624 -25.027 1.00 12.12 H new ATOM 0 HB3 ALA A 105 -11.223 1.140 -23.760 1.00 12.12 H new ATOM 1618 N ALA A 106 -11.546 1.982 -21.055 1.00 44.54 N ATOM 1619 CA ALA A 106 -11.353 1.587 -19.666 1.00 71.34 C ATOM 1620 C ALA A 106 -12.046 2.558 -18.717 1.00 74.33 C ATOM 1621 O ALA A 106 -12.760 2.143 -17.803 1.00 64.32 O ATOM 1622 CB ALA A 106 -9.868 1.499 -19.343 1.00 14.30 C ATOM 0 H ALA A 106 -10.690 2.254 -21.539 1.00 44.54 H new ATOM 0 HA ALA A 106 -11.802 0.603 -19.529 1.00 71.34 H new ATOM 0 HB1 ALA A 106 -9.739 1.203 -18.302 1.00 14.30 H new ATOM 0 HB2 ALA A 106 -9.398 0.760 -19.991 1.00 14.30 H new ATOM 0 HB3 ALA A 106 -9.402 2.471 -19.504 1.00 14.30 H new ATOM 1628 N GLU A 107 -11.831 3.850 -18.939 1.00 11.10 N ATOM 1629 CA GLU A 107 -12.436 4.879 -18.101 1.00 5.34 C ATOM 1630 C GLU A 107 -13.954 4.731 -18.066 1.00 55.25 C ATOM 1631 O GLU A 107 -14.574 4.833 -17.009 1.00 5.32 O ATOM 1632 CB GLU A 107 -12.060 6.271 -18.615 1.00 31.31 C ATOM 1633 CG GLU A 107 -12.788 7.399 -17.902 1.00 42.42 C ATOM 1634 CD GLU A 107 -14.106 7.753 -18.564 1.00 72.10 C ATOM 1635 OE1 GLU A 107 -15.155 7.263 -18.094 1.00 43.11 O ATOM 1636 OE2 GLU A 107 -14.089 8.518 -19.550 1.00 44.11 O ATOM 0 H GLU A 107 -11.243 4.209 -19.691 1.00 11.10 H new ATOM 0 HA GLU A 107 -12.054 4.757 -17.087 1.00 5.34 H new ATOM 0 HB2 GLU A 107 -10.985 6.414 -18.501 1.00 31.31 H new ATOM 0 HB3 GLU A 107 -12.277 6.326 -19.682 1.00 31.31 H new ATOM 0 HG2 GLU A 107 -12.971 7.111 -16.867 1.00 42.42 H new ATOM 0 HG3 GLU A 107 -12.149 8.282 -17.879 1.00 42.42 H new ATOM 1643 N ASN A 108 -14.546 4.487 -19.232 1.00 4.23 N ATOM 1644 CA ASN A 108 -15.992 4.326 -19.335 1.00 43.25 C ATOM 1645 C ASN A 108 -16.466 3.136 -18.508 1.00 11.14 C ATOM 1646 O ASN A 108 -17.462 3.225 -17.790 1.00 21.43 O ATOM 1647 CB ASN A 108 -16.401 4.139 -20.799 1.00 33.13 C ATOM 1648 CG ASN A 108 -17.884 3.865 -20.952 1.00 44.43 C ATOM 1649 OD1 ASN A 108 -18.721 4.670 -20.545 1.00 41.54 O ATOM 1650 ND2 ASN A 108 -18.216 2.723 -21.544 1.00 72.05 N ATOM 0 H ASN A 108 -14.047 4.397 -20.117 1.00 4.23 H new ATOM 0 HA ASN A 108 -16.463 5.228 -18.945 1.00 43.25 H new ATOM 0 HB2 ASN A 108 -16.139 5.033 -21.364 1.00 33.13 H new ATOM 0 HB3 ASN A 108 -15.835 3.313 -21.229 1.00 33.13 H new ATOM 0 HD21 ASN A 108 -19.199 2.484 -21.677 1.00 72.05 H new ATOM 0 HD22 ASN A 108 -17.488 2.085 -21.866 1.00 72.05 H new ATOM 1657 N MET A 109 -15.747 2.023 -18.612 1.00 5.52 N ATOM 1658 CA MET A 109 -16.094 0.817 -17.871 1.00 50.14 C ATOM 1659 C MET A 109 -15.872 1.015 -16.375 1.00 63.45 C ATOM 1660 O MET A 109 -16.637 0.510 -15.553 1.00 2.13 O ATOM 1661 CB MET A 109 -15.265 -0.369 -18.370 1.00 31.23 C ATOM 1662 CG MET A 109 -15.659 -1.694 -17.736 1.00 63.10 C ATOM 1663 SD MET A 109 -14.426 -2.983 -18.002 1.00 33.21 S ATOM 1664 CE MET A 109 -13.232 -2.577 -16.730 1.00 22.45 C ATOM 0 H MET A 109 -14.920 1.932 -19.203 1.00 5.52 H new ATOM 0 HA MET A 109 -17.151 0.609 -18.038 1.00 50.14 H new ATOM 0 HB2 MET A 109 -15.372 -0.447 -19.452 1.00 31.23 H new ATOM 0 HB3 MET A 109 -14.212 -0.177 -18.167 1.00 31.23 H new ATOM 0 HG2 MET A 109 -15.805 -1.551 -16.665 1.00 63.10 H new ATOM 0 HG3 MET A 109 -16.614 -2.020 -18.147 1.00 63.10 H new ATOM 0 HE1 MET A 109 -12.227 -2.793 -17.092 1.00 22.45 H new ATOM 0 HE2 MET A 109 -13.309 -1.518 -16.484 1.00 22.45 H new ATOM 0 HE3 MET A 109 -13.433 -3.172 -15.839 1.00 22.45 H new ATOM 1674 N TYR A 110 -14.821 1.750 -16.030 1.00 65.10 N ATOM 1675 CA TYR A 110 -14.496 2.012 -14.633 1.00 14.52 C ATOM 1676 C TYR A 110 -15.658 2.702 -13.924 1.00 14.50 C ATOM 1677 O TYR A 110 -16.039 2.322 -12.817 1.00 4.11 O ATOM 1678 CB TYR A 110 -13.238 2.875 -14.532 1.00 52.51 C ATOM 1679 CG TYR A 110 -12.913 3.310 -13.121 1.00 12.14 C ATOM 1680 CD1 TYR A 110 -12.069 2.554 -12.317 1.00 43.01 C ATOM 1681 CD2 TYR A 110 -13.451 4.476 -12.591 1.00 13.20 C ATOM 1682 CE1 TYR A 110 -11.770 2.947 -11.027 1.00 74.11 C ATOM 1683 CE2 TYR A 110 -13.156 4.877 -11.302 1.00 13.34 C ATOM 1684 CZ TYR A 110 -12.316 4.110 -10.524 1.00 73.33 C ATOM 1685 OH TYR A 110 -12.021 4.505 -9.240 1.00 23.33 O ATOM 0 H TYR A 110 -14.179 2.175 -16.699 1.00 65.10 H new ATOM 0 HA TYR A 110 -14.311 1.055 -14.144 1.00 14.52 H new ATOM 0 HB2 TYR A 110 -12.392 2.318 -14.935 1.00 52.51 H new ATOM 0 HB3 TYR A 110 -13.364 3.760 -15.156 1.00 52.51 H new ATOM 0 HD1 TYR A 110 -11.639 1.643 -12.707 1.00 43.01 H new ATOM 0 HD2 TYR A 110 -14.111 5.079 -13.197 1.00 13.20 H new ATOM 0 HE1 TYR A 110 -11.112 2.347 -10.415 1.00 74.11 H new ATOM 0 HE2 TYR A 110 -13.582 5.787 -10.906 1.00 13.34 H new ATOM 0 HH TYR A 110 -11.125 4.191 -8.999 1.00 23.33 H new ATOM 1695 N SER A 111 -16.219 3.719 -14.573 1.00 21.52 N ATOM 1696 CA SER A 111 -17.335 4.465 -14.004 1.00 62.45 C ATOM 1697 C SER A 111 -18.652 3.730 -14.233 1.00 43.31 C ATOM 1698 O SER A 111 -19.558 3.785 -13.403 1.00 11.33 O ATOM 1699 CB SER A 111 -17.404 5.865 -14.619 1.00 13.22 C ATOM 1700 OG SER A 111 -18.504 6.595 -14.101 1.00 72.20 O ATOM 0 H SER A 111 -15.919 4.044 -15.492 1.00 21.52 H new ATOM 0 HA SER A 111 -17.172 4.555 -12.930 1.00 62.45 H new ATOM 0 HB2 SER A 111 -16.478 6.402 -14.414 1.00 13.22 H new ATOM 0 HB3 SER A 111 -17.493 5.786 -15.702 1.00 13.22 H new ATOM 0 HG SER A 111 -18.526 7.486 -14.508 1.00 72.20 H new ATOM 1706 N GLN A 112 -18.750 3.043 -15.367 1.00 33.41 N ATOM 1707 CA GLN A 112 -19.957 2.297 -15.707 1.00 23.45 C ATOM 1708 C GLN A 112 -20.222 1.197 -14.684 1.00 11.10 C ATOM 1709 O GLN A 112 -21.362 0.774 -14.497 1.00 60.54 O ATOM 1710 CB GLN A 112 -19.830 1.692 -17.105 1.00 42.24 C ATOM 1711 CG GLN A 112 -20.272 2.630 -18.217 1.00 31.52 C ATOM 1712 CD GLN A 112 -21.778 2.672 -18.381 1.00 23.41 C ATOM 1713 OE1 GLN A 112 -22.478 1.721 -18.036 1.00 74.02 O ATOM 1714 NE2 GLN A 112 -22.285 3.780 -18.910 1.00 32.14 N ATOM 0 H GLN A 112 -18.009 2.987 -16.066 1.00 33.41 H new ATOM 0 HA GLN A 112 -20.799 2.989 -15.695 1.00 23.45 H new ATOM 0 HB2 GLN A 112 -18.792 1.405 -17.274 1.00 42.24 H new ATOM 0 HB3 GLN A 112 -20.425 0.780 -17.152 1.00 42.24 H new ATOM 0 HG2 GLN A 112 -19.905 3.635 -18.007 1.00 31.52 H new ATOM 0 HG3 GLN A 112 -19.817 2.314 -19.156 1.00 31.52 H new ATOM 0 HE21 GLN A 112 -21.667 4.544 -19.182 1.00 32.14 H new ATOM 0 HE22 GLN A 112 -23.292 3.866 -19.044 1.00 32.14 H new ATOM 1723 N MET A 113 -19.162 0.738 -14.027 1.00 5.44 N ATOM 1724 CA MET A 113 -19.281 -0.312 -13.023 1.00 41.32 C ATOM 1725 C MET A 113 -19.659 0.273 -11.666 1.00 31.34 C ATOM 1726 O MET A 113 -20.208 -0.421 -10.811 1.00 22.12 O ATOM 1727 CB MET A 113 -17.969 -1.090 -12.910 1.00 31.51 C ATOM 1728 CG MET A 113 -17.823 -2.191 -13.948 1.00 20.23 C ATOM 1729 SD MET A 113 -18.786 -3.660 -13.542 1.00 73.20 S ATOM 1730 CE MET A 113 -17.541 -4.673 -12.748 1.00 65.43 C ATOM 0 H MET A 113 -18.211 1.077 -14.172 1.00 5.44 H new ATOM 0 HA MET A 113 -20.072 -0.993 -13.337 1.00 41.32 H new ATOM 0 HB2 MET A 113 -17.135 -0.396 -13.009 1.00 31.51 H new ATOM 0 HB3 MET A 113 -17.901 -1.529 -11.915 1.00 31.51 H new ATOM 0 HG2 MET A 113 -18.138 -1.812 -14.920 1.00 20.23 H new ATOM 0 HG3 MET A 113 -16.771 -2.464 -14.037 1.00 20.23 H new ATOM 0 HE1 MET A 113 -17.985 -5.619 -12.439 1.00 65.43 H new ATOM 0 HE2 MET A 113 -16.728 -4.865 -13.448 1.00 65.43 H new ATOM 0 HE3 MET A 113 -17.152 -4.152 -11.873 1.00 65.43 H new ATOM 1740 N GLY A 114 -19.360 1.555 -11.475 1.00 72.21 N ATOM 1741 CA GLY A 114 -19.675 2.210 -10.219 1.00 31.05 C ATOM 1742 C GLY A 114 -18.436 2.528 -9.405 1.00 11.35 C ATOM 1743 O GLY A 114 -18.504 2.657 -8.182 1.00 0.11 O ATOM 0 H GLY A 114 -18.906 2.151 -12.167 1.00 72.21 H new ATOM 0 HA2 GLY A 114 -20.220 3.132 -10.420 1.00 31.05 H new ATOM 0 HA3 GLY A 114 -20.336 1.570 -9.634 1.00 31.05 H new