USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 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 88 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.193) USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 109 MET CE :methyl -161:sc= -0.183 (180deg=-1.05) USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 56 THR OG1 : rot 132:sc= -0.844 USER MOD Set 3.2: A 59 GLN :FLIP amide:sc= -2.21! C(o=-5.5!,f=-3.1!) 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 11 MET CE :methyl 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 -180:sc= -0.378 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.88) 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= -0.577 K(o=-0.58,f=-1.5!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.87 X(o=-3.9,f=-3.8) USER MOD Single : A 45 SER OG : rot 89:sc= 0.0755 USER MOD Single : A 46 THR OG1 : rot -16:sc= 1.16 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1) 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 180:sc= 0.722 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 151:sc= 0 (180deg=-0.61) USER MOD Single : A 86 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 97 ASN : amide:sc=-0.00228 X(o=-0.0023,f=-0.3) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.139 USER MOD Single : A 108 ASN : amide:sc= -0.0794 X(o=-0.079,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.292 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 5.824 3.324 -3.234 1.00 54.05 N ATOM 23 CA LEU A 4 6.298 3.347 -4.614 1.00 32.40 C ATOM 24 C LEU A 4 6.954 2.021 -4.986 1.00 72.21 C ATOM 25 O LEU A 4 8.005 1.993 -5.627 1.00 13.41 O ATOM 26 CB LEU A 4 7.291 4.494 -4.814 1.00 21.13 C ATOM 27 CG LEU A 4 7.207 5.228 -6.153 1.00 0.22 C ATOM 28 CD1 LEU A 4 8.319 6.259 -6.267 1.00 1.11 C ATOM 29 CD2 LEU A 4 7.273 4.239 -7.308 1.00 42.14 C ATOM 0 HA LEU A 4 5.438 3.502 -5.265 1.00 32.40 H new ATOM 0 HB2 LEU A 4 7.143 5.220 -4.014 1.00 21.13 H new ATOM 0 HB3 LEU A 4 8.300 4.098 -4.702 1.00 21.13 H new ATOM 0 HG LEU A 4 6.251 5.749 -6.201 1.00 0.22 H new ATOM 0 HD11 LEU A 4 8.243 6.771 -7.226 1.00 1.11 H new ATOM 0 HD12 LEU A 4 8.226 6.985 -5.459 1.00 1.11 H new ATOM 0 HD13 LEU A 4 9.286 5.761 -6.197 1.00 1.11 H new ATOM 0 HD21 LEU A 4 7.212 4.779 -8.253 1.00 42.14 H new ATOM 0 HD22 LEU A 4 8.214 3.690 -7.264 1.00 42.14 H new ATOM 0 HD23 LEU A 4 6.441 3.539 -7.236 1.00 42.14 H new ATOM 41 N LYS A 5 6.326 0.922 -4.581 1.00 51.00 N ATOM 42 CA LYS A 5 6.845 -0.408 -4.874 1.00 23.23 C ATOM 43 C LYS A 5 7.135 -0.563 -6.364 1.00 10.33 C ATOM 44 O LYS A 5 6.230 -0.483 -7.193 1.00 63.31 O ATOM 45 CB LYS A 5 5.847 -1.478 -4.424 1.00 44.30 C ATOM 46 CG LYS A 5 6.493 -2.645 -3.697 1.00 34.10 C ATOM 47 CD LYS A 5 5.594 -3.184 -2.598 1.00 3.33 C ATOM 48 CE LYS A 5 6.116 -2.812 -1.218 1.00 43.01 C ATOM 49 NZ LYS A 5 7.072 -3.826 -0.696 1.00 4.44 N ATOM 0 H LYS A 5 5.456 0.927 -4.048 1.00 51.00 H new ATOM 0 HA LYS A 5 7.778 -0.536 -4.325 1.00 23.23 H new ATOM 0 HB2 LYS A 5 5.105 -1.019 -3.770 1.00 44.30 H new ATOM 0 HB3 LYS A 5 5.313 -1.855 -5.296 1.00 44.30 H new ATOM 0 HG2 LYS A 5 6.716 -3.440 -4.409 1.00 34.10 H new ATOM 0 HG3 LYS A 5 7.443 -2.326 -3.268 1.00 34.10 H new ATOM 0 HD2 LYS A 5 4.586 -2.790 -2.725 1.00 3.33 H new ATOM 0 HD3 LYS A 5 5.525 -4.269 -2.682 1.00 3.33 H new ATOM 0 HE2 LYS A 5 6.607 -1.840 -1.265 1.00 43.01 H new ATOM 0 HE3 LYS A 5 5.279 -2.713 -0.527 1.00 43.01 H new ATOM 0 HZ1 LYS A 5 7.405 -3.537 0.246 1.00 4.44 H new ATOM 0 HZ2 LYS A 5 6.596 -4.748 -0.627 1.00 4.44 H new ATOM 0 HZ3 LYS A 5 7.884 -3.903 -1.342 1.00 4.44 H new ATOM 63 N SER A 6 8.403 -0.787 -6.694 1.00 32.15 N ATOM 64 CA SER A 6 8.812 -0.952 -8.084 1.00 21.31 C ATOM 65 C SER A 6 8.131 -2.164 -8.711 1.00 72.12 C ATOM 66 O SER A 6 7.938 -2.222 -9.926 1.00 1.33 O ATOM 67 CB SER A 6 10.332 -1.103 -8.176 1.00 53.50 C ATOM 68 OG SER A 6 10.845 -0.418 -9.305 1.00 65.41 O ATOM 0 H SER A 6 9.164 -0.858 -6.019 1.00 32.15 H new ATOM 0 HA SER A 6 8.508 -0.061 -8.634 1.00 21.31 H new ATOM 0 HB2 SER A 6 10.795 -0.714 -7.269 1.00 53.50 H new ATOM 0 HB3 SER A 6 10.593 -2.160 -8.238 1.00 53.50 H new ATOM 0 HG SER A 6 11.818 -0.528 -9.340 1.00 65.41 H new ATOM 74 N ARG A 7 7.770 -3.131 -7.874 1.00 72.15 N ATOM 75 CA ARG A 7 7.111 -4.343 -8.346 1.00 33.23 C ATOM 76 C ARG A 7 5.727 -4.028 -8.904 1.00 51.24 C ATOM 77 O ARG A 7 5.436 -4.312 -10.066 1.00 73.04 O ATOM 78 CB ARG A 7 6.995 -5.361 -7.210 1.00 11.31 C ATOM 79 CG ARG A 7 8.331 -5.741 -6.593 1.00 20.40 C ATOM 80 CD ARG A 7 8.155 -6.339 -5.207 1.00 10.32 C ATOM 81 NE ARG A 7 7.430 -7.607 -5.245 1.00 40.04 N ATOM 82 CZ ARG A 7 7.943 -8.732 -5.732 1.00 74.34 C ATOM 83 NH1 ARG A 7 9.176 -8.746 -6.219 1.00 3.03 N ATOM 84 NH2 ARG A 7 7.221 -9.845 -5.732 1.00 71.43 N ATOM 0 H ARG A 7 7.923 -3.099 -6.866 1.00 72.15 H new ATOM 0 HA ARG A 7 7.718 -4.768 -9.146 1.00 33.23 H new ATOM 0 HB2 ARG A 7 6.349 -4.953 -6.433 1.00 11.31 H new ATOM 0 HB3 ARG A 7 6.510 -6.261 -7.588 1.00 11.31 H new ATOM 0 HG2 ARG A 7 8.840 -6.458 -7.238 1.00 20.40 H new ATOM 0 HG3 ARG A 7 8.968 -4.859 -6.532 1.00 20.40 H new ATOM 0 HD2 ARG A 7 9.133 -6.495 -4.753 1.00 10.32 H new ATOM 0 HD3 ARG A 7 7.618 -5.633 -4.573 1.00 10.32 H new ATOM 0 HE ARG A 7 6.479 -7.630 -4.878 1.00 40.04 H new ATOM 0 HH11 ARG A 7 9.733 -7.892 -6.221 1.00 3.03 H new ATOM 0 HH12 ARG A 7 9.567 -9.611 -6.592 1.00 3.03 H new ATOM 0 HH21 ARG A 7 6.272 -9.837 -5.358 1.00 71.43 H new ATOM 0 HH22 ARG A 7 7.615 -10.708 -6.106 1.00 71.43 H new ATOM 98 N ASP A 8 4.877 -3.440 -8.068 1.00 23.51 N ATOM 99 CA ASP A 8 3.523 -3.086 -8.479 1.00 1.33 C ATOM 100 C ASP A 8 3.539 -1.898 -9.437 1.00 33.35 C ATOM 101 O ASP A 8 2.659 -1.763 -10.286 1.00 22.22 O ATOM 102 CB ASP A 8 2.667 -2.758 -7.254 1.00 71.50 C ATOM 103 CG ASP A 8 3.009 -3.626 -6.059 1.00 55.33 C ATOM 104 OD1 ASP A 8 3.021 -4.865 -6.210 1.00 11.31 O ATOM 105 OD2 ASP A 8 3.266 -3.065 -4.974 1.00 73.15 O ATOM 0 H ASP A 8 5.102 -3.199 -7.103 1.00 23.51 H new ATOM 0 HA ASP A 8 3.090 -3.942 -8.998 1.00 1.33 H new ATOM 0 HB2 ASP A 8 2.804 -1.710 -6.989 1.00 71.50 H new ATOM 0 HB3 ASP A 8 1.614 -2.888 -7.505 1.00 71.50 H new ATOM 110 N TRP A 9 4.544 -1.043 -9.292 1.00 61.14 N ATOM 111 CA TRP A 9 4.674 0.134 -10.145 1.00 34.01 C ATOM 112 C TRP A 9 4.933 -0.268 -11.592 1.00 33.22 C ATOM 113 O TRP A 9 4.180 0.099 -12.495 1.00 52.43 O ATOM 114 CB TRP A 9 5.804 1.032 -9.641 1.00 22.21 C ATOM 115 CG TRP A 9 6.120 2.166 -10.569 1.00 53.14 C ATOM 116 CD1 TRP A 9 7.354 2.535 -11.023 1.00 52.42 C ATOM 117 CD2 TRP A 9 5.186 3.081 -11.154 1.00 31.14 C ATOM 118 NE1 TRP A 9 7.244 3.624 -11.854 1.00 33.33 N ATOM 119 CE2 TRP A 9 5.924 3.977 -11.952 1.00 14.43 C ATOM 120 CE3 TRP A 9 3.797 3.228 -11.083 1.00 4.11 C ATOM 121 CZ2 TRP A 9 5.318 5.004 -12.671 1.00 20.34 C ATOM 122 CZ3 TRP A 9 3.199 4.249 -11.797 1.00 32.42 C ATOM 123 CH2 TRP A 9 3.958 5.125 -12.582 1.00 60.55 C ATOM 0 H TRP A 9 5.280 -1.142 -8.593 1.00 61.14 H new ATOM 0 HA TRP A 9 3.735 0.687 -10.105 1.00 34.01 H new ATOM 0 HB2 TRP A 9 5.531 1.435 -8.666 1.00 22.21 H new ATOM 0 HB3 TRP A 9 6.701 0.429 -9.497 1.00 22.21 H new ATOM 0 HD1 TRP A 9 8.281 2.043 -10.767 1.00 52.42 H new ATOM 0 HE1 TRP A 9 8.019 4.093 -12.322 1.00 33.33 H new ATOM 0 HE3 TRP A 9 3.203 2.556 -10.481 1.00 4.11 H new ATOM 0 HZ2 TRP A 9 5.901 5.681 -13.278 1.00 20.34 H new ATOM 0 HZ3 TRP A 9 2.127 4.373 -11.749 1.00 32.42 H new ATOM 0 HH2 TRP A 9 3.460 5.912 -13.128 1.00 60.55 H new ATOM 134 N LYS A 10 6.004 -1.026 -11.809 1.00 54.44 N ATOM 135 CA LYS A 10 6.362 -1.480 -13.147 1.00 42.32 C ATOM 136 C LYS A 10 5.334 -2.471 -13.679 1.00 34.21 C ATOM 137 O LYS A 10 5.110 -2.559 -14.886 1.00 20.44 O ATOM 138 CB LYS A 10 7.749 -2.126 -13.133 1.00 42.22 C ATOM 139 CG LYS A 10 8.322 -2.367 -14.519 1.00 71.24 C ATOM 140 CD LYS A 10 9.818 -2.104 -14.559 1.00 1.23 C ATOM 141 CE LYS A 10 10.294 -1.799 -15.971 1.00 10.32 C ATOM 142 NZ LYS A 10 11.316 -0.717 -15.989 1.00 61.14 N ATOM 0 H LYS A 10 6.639 -1.338 -11.074 1.00 54.44 H new ATOM 0 HA LYS A 10 6.378 -0.612 -13.806 1.00 42.32 H new ATOM 0 HB2 LYS A 10 8.432 -1.488 -12.573 1.00 42.22 H new ATOM 0 HB3 LYS A 10 7.693 -3.076 -12.602 1.00 42.22 H new ATOM 0 HG2 LYS A 10 8.125 -3.395 -14.821 1.00 71.24 H new ATOM 0 HG3 LYS A 10 7.819 -1.721 -15.239 1.00 71.24 H new ATOM 0 HD2 LYS A 10 10.059 -1.266 -13.904 1.00 1.23 H new ATOM 0 HD3 LYS A 10 10.351 -2.973 -14.174 1.00 1.23 H new ATOM 0 HE2 LYS A 10 10.713 -2.702 -16.416 1.00 10.32 H new ATOM 0 HE3 LYS A 10 9.443 -1.505 -16.586 1.00 10.32 H new ATOM 0 HZ1 LYS A 10 11.615 -0.538 -16.969 1.00 61.14 H new ATOM 0 HZ2 LYS A 10 10.909 0.152 -15.587 1.00 61.14 H new ATOM 0 HZ3 LYS A 10 12.139 -1.007 -15.423 1.00 61.14 H new ATOM 156 N MET A 11 4.707 -3.213 -12.771 1.00 65.42 N ATOM 157 CA MET A 11 3.700 -4.196 -13.150 1.00 61.34 C ATOM 158 C MET A 11 2.497 -3.519 -13.800 1.00 64.24 C ATOM 159 O MET A 11 2.118 -3.850 -14.923 1.00 33.34 O ATOM 160 CB MET A 11 3.250 -4.995 -11.927 1.00 14.14 C ATOM 161 CG MET A 11 4.050 -6.268 -11.704 1.00 41.32 C ATOM 162 SD MET A 11 3.091 -7.759 -12.035 1.00 41.43 S ATOM 163 CE MET A 11 2.971 -7.694 -13.821 1.00 34.23 C ATOM 0 H MET A 11 4.879 -3.151 -11.768 1.00 65.42 H new ATOM 0 HA MET A 11 4.148 -4.876 -13.874 1.00 61.34 H new ATOM 0 HB2 MET A 11 3.332 -4.365 -11.041 1.00 14.14 H new ATOM 0 HB3 MET A 11 2.197 -5.253 -12.039 1.00 14.14 H new ATOM 0 HG2 MET A 11 4.930 -6.257 -12.347 1.00 41.32 H new ATOM 0 HG3 MET A 11 4.408 -6.292 -10.675 1.00 41.32 H new ATOM 0 HE1 MET A 11 2.403 -8.553 -14.179 1.00 34.23 H new ATOM 0 HE2 MET A 11 2.465 -6.775 -14.118 1.00 34.23 H new ATOM 0 HE3 MET A 11 3.971 -7.714 -14.254 1.00 34.23 H new ATOM 173 N ALA A 12 1.902 -2.568 -13.086 1.00 62.43 N ATOM 174 CA ALA A 12 0.744 -1.844 -13.595 1.00 55.52 C ATOM 175 C ALA A 12 1.087 -1.090 -14.876 1.00 32.01 C ATOM 176 O ALA A 12 0.407 -1.235 -15.893 1.00 2.03 O ATOM 177 CB ALA A 12 0.218 -0.882 -12.539 1.00 32.20 C ATOM 0 H ALA A 12 2.203 -2.282 -12.154 1.00 62.43 H new ATOM 0 HA ALA A 12 -0.034 -2.571 -13.830 1.00 55.52 H new ATOM 0 HB1 ALA A 12 -0.647 -0.348 -12.932 1.00 32.20 H new ATOM 0 HB2 ALA A 12 -0.074 -1.442 -11.650 1.00 32.20 H new ATOM 0 HB3 ALA A 12 0.998 -0.167 -12.277 1.00 32.20 H new ATOM 183 N ILE A 13 2.142 -0.286 -14.819 1.00 44.11 N ATOM 184 CA ILE A 13 2.575 0.490 -15.975 1.00 11.13 C ATOM 185 C ILE A 13 2.847 -0.415 -17.173 1.00 45.42 C ATOM 186 O ILE A 13 2.650 -0.019 -18.321 1.00 34.12 O ATOM 187 CB ILE A 13 3.842 1.306 -15.663 1.00 44.42 C ATOM 188 CG1 ILE A 13 3.552 2.344 -14.576 1.00 73.11 C ATOM 189 CG2 ILE A 13 4.360 1.982 -16.924 1.00 52.34 C ATOM 190 CD1 ILE A 13 2.656 3.471 -15.041 1.00 12.12 C ATOM 0 H ILE A 13 2.714 -0.154 -13.985 1.00 44.11 H new ATOM 0 HA ILE A 13 1.763 1.176 -16.217 1.00 11.13 H new ATOM 0 HB ILE A 13 4.612 0.628 -15.295 1.00 44.42 H new ATOM 0 HG12 ILE A 13 3.086 1.847 -13.725 1.00 73.11 H new ATOM 0 HG13 ILE A 13 4.495 2.762 -14.223 1.00 73.11 H new ATOM 0 HG21 ILE A 13 5.256 2.555 -16.687 1.00 52.34 H new ATOM 0 HG22 ILE A 13 4.600 1.225 -17.670 1.00 52.34 H new ATOM 0 HG23 ILE A 13 3.595 2.651 -17.319 1.00 52.34 H new ATOM 0 HD11 ILE A 13 2.493 4.169 -14.220 1.00 12.12 H new ATOM 0 HD12 ILE A 13 3.130 3.993 -15.872 1.00 12.12 H new ATOM 0 HD13 ILE A 13 1.699 3.064 -15.367 1.00 12.12 H new ATOM 202 N LYS A 14 3.303 -1.632 -16.896 1.00 54.11 N ATOM 203 CA LYS A 14 3.601 -2.595 -17.949 1.00 70.11 C ATOM 204 C LYS A 14 2.328 -3.020 -18.675 1.00 2.31 C ATOM 205 O LYS A 14 2.290 -3.067 -19.904 1.00 32.33 O ATOM 206 CB LYS A 14 4.300 -3.823 -17.362 1.00 35.15 C ATOM 207 CG LYS A 14 4.520 -4.937 -18.371 1.00 22.55 C ATOM 208 CD LYS A 14 5.966 -5.407 -18.377 1.00 52.51 C ATOM 209 CE LYS A 14 6.301 -6.163 -19.654 1.00 1.54 C ATOM 210 NZ LYS A 14 7.523 -5.624 -20.311 1.00 63.20 N ATOM 0 H LYS A 14 3.474 -1.975 -15.951 1.00 54.11 H new ATOM 0 HA LYS A 14 4.265 -2.115 -18.668 1.00 70.11 H new ATOM 0 HB2 LYS A 14 5.263 -3.521 -16.951 1.00 35.15 H new ATOM 0 HB3 LYS A 14 3.706 -4.207 -16.533 1.00 35.15 H new ATOM 0 HG2 LYS A 14 3.865 -5.776 -18.137 1.00 22.55 H new ATOM 0 HG3 LYS A 14 4.246 -4.587 -19.366 1.00 22.55 H new ATOM 0 HD2 LYS A 14 6.629 -4.548 -18.277 1.00 52.51 H new ATOM 0 HD3 LYS A 14 6.144 -6.050 -17.515 1.00 52.51 H new ATOM 0 HE2 LYS A 14 6.447 -7.218 -19.424 1.00 1.54 H new ATOM 0 HE3 LYS A 14 5.460 -6.101 -20.344 1.00 1.54 H new ATOM 0 HZ1 LYS A 14 7.719 -6.165 -21.177 1.00 63.20 H new ATOM 0 HZ2 LYS A 14 7.374 -4.624 -20.554 1.00 63.20 H new ATOM 0 HZ3 LYS A 14 8.331 -5.706 -19.662 1.00 63.20 H new ATOM 224 N ARG A 15 1.288 -3.325 -17.905 1.00 24.52 N ATOM 225 CA ARG A 15 0.014 -3.746 -18.475 1.00 74.33 C ATOM 226 C ARG A 15 -0.729 -2.558 -19.081 1.00 11.54 C ATOM 227 O ARG A 15 -1.111 -2.584 -20.251 1.00 73.04 O ATOM 228 CB ARG A 15 -0.853 -4.411 -17.405 1.00 33.45 C ATOM 229 CG ARG A 15 -1.456 -5.735 -17.846 1.00 4.15 C ATOM 230 CD ARG A 15 -0.400 -6.826 -17.935 1.00 2.53 C ATOM 231 NE ARG A 15 -0.878 -8.096 -17.394 1.00 43.13 N ATOM 232 CZ ARG A 15 -0.125 -9.188 -17.308 1.00 70.14 C ATOM 233 NH1 ARG A 15 1.134 -9.164 -17.724 1.00 75.13 N ATOM 234 NH2 ARG A 15 -0.632 -10.306 -16.805 1.00 44.52 N ATOM 0 H ARG A 15 1.303 -3.288 -16.886 1.00 24.52 H new ATOM 0 HA ARG A 15 0.219 -4.467 -19.266 1.00 74.33 H new ATOM 0 HB2 ARG A 15 -0.250 -4.575 -16.512 1.00 33.45 H new ATOM 0 HB3 ARG A 15 -1.657 -3.730 -17.126 1.00 33.45 H new ATOM 0 HG2 ARG A 15 -2.232 -6.035 -17.142 1.00 4.15 H new ATOM 0 HG3 ARG A 15 -1.936 -5.612 -18.817 1.00 4.15 H new ATOM 0 HD2 ARG A 15 -0.107 -6.963 -18.976 1.00 2.53 H new ATOM 0 HD3 ARG A 15 0.491 -6.513 -17.391 1.00 2.53 H new ATOM 0 HE ARG A 15 -1.842 -8.148 -17.064 1.00 43.13 H new ATOM 0 HH11 ARG A 15 1.527 -8.306 -18.111 1.00 75.13 H new ATOM 0 HH12 ARG A 15 1.709 -10.003 -17.657 1.00 75.13 H new ATOM 0 HH21 ARG A 15 -1.600 -10.328 -16.484 1.00 44.52 H new ATOM 0 HH22 ARG A 15 -0.054 -11.144 -16.739 1.00 44.52 H new ATOM 248 N CYS A 16 -0.930 -1.520 -18.277 1.00 4.33 N ATOM 249 CA CYS A 16 -1.628 -0.324 -18.732 1.00 63.12 C ATOM 250 C CYS A 16 -0.965 0.251 -19.979 1.00 44.04 C ATOM 251 O CYS A 16 -1.617 0.893 -20.802 1.00 65.54 O ATOM 252 CB CYS A 16 -1.655 0.729 -17.623 1.00 60.03 C ATOM 253 SG CYS A 16 -2.354 0.140 -16.063 1.00 53.52 S ATOM 0 H CYS A 16 -0.619 -1.483 -17.306 1.00 4.33 H new ATOM 0 HA CYS A 16 -2.651 -0.604 -18.983 1.00 63.12 H new ATOM 0 HB2 CYS A 16 -0.638 1.079 -17.444 1.00 60.03 H new ATOM 0 HB3 CYS A 16 -2.232 1.588 -17.966 1.00 60.03 H new ATOM 0 HG CYS A 16 -2.339 1.103 -15.190 1.00 53.52 H new ATOM 259 N SER A 17 0.338 0.018 -20.112 1.00 34.34 N ATOM 260 CA SER A 17 1.091 0.516 -21.256 1.00 44.53 C ATOM 261 C SER A 17 0.423 0.110 -22.566 1.00 22.03 C ATOM 262 O SER A 17 0.530 0.808 -23.573 1.00 50.41 O ATOM 263 CB SER A 17 2.526 -0.011 -21.217 1.00 63.31 C ATOM 264 OG SER A 17 2.980 -0.354 -22.516 1.00 53.23 O ATOM 0 H SER A 17 0.893 -0.513 -19.441 1.00 34.34 H new ATOM 0 HA SER A 17 1.110 1.604 -21.201 1.00 44.53 H new ATOM 0 HB2 SER A 17 3.183 0.745 -20.787 1.00 63.31 H new ATOM 0 HB3 SER A 17 2.578 -0.885 -20.568 1.00 63.31 H new ATOM 0 HG SER A 17 3.900 -0.687 -22.464 1.00 53.23 H new ATOM 270 N ASN A 18 -0.268 -1.025 -22.543 1.00 61.12 N ATOM 271 CA ASN A 18 -0.954 -1.527 -23.729 1.00 43.33 C ATOM 272 C ASN A 18 -2.150 -0.645 -24.078 1.00 32.24 C ATOM 273 O ASN A 18 -2.433 -0.400 -25.251 1.00 23.12 O ATOM 274 CB ASN A 18 -1.416 -2.968 -23.505 1.00 44.44 C ATOM 275 CG ASN A 18 -0.925 -3.907 -24.589 1.00 63.12 C ATOM 276 OD1 ASN A 18 0.186 -3.759 -25.097 1.00 25.02 O ATOM 277 ND2 ASN A 18 -1.753 -4.881 -24.948 1.00 60.23 N ATOM 0 H ASN A 18 -0.368 -1.615 -21.717 1.00 61.12 H new ATOM 0 HA ASN A 18 -0.252 -1.504 -24.562 1.00 43.33 H new ATOM 0 HB2 ASN A 18 -1.056 -3.316 -22.537 1.00 44.44 H new ATOM 0 HB3 ASN A 18 -2.505 -2.996 -23.469 1.00 44.44 H new ATOM 0 HD21 ASN A 18 -1.477 -5.544 -25.672 1.00 60.23 H new ATOM 0 HD22 ASN A 18 -2.665 -4.966 -24.500 1.00 60.23 H new ATOM 284 N VAL A 19 -2.848 -0.172 -23.051 1.00 55.33 N ATOM 285 CA VAL A 19 -4.013 0.683 -23.249 1.00 42.03 C ATOM 286 C VAL A 19 -3.684 1.856 -24.166 1.00 52.40 C ATOM 287 O VAL A 19 -2.570 2.379 -24.147 1.00 32.24 O ATOM 288 CB VAL A 19 -4.544 1.227 -21.909 1.00 1.11 C ATOM 289 CG1 VAL A 19 -5.799 2.058 -22.130 1.00 21.12 C ATOM 290 CG2 VAL A 19 -4.814 0.085 -20.942 1.00 51.31 C ATOM 0 H VAL A 19 -2.628 -0.366 -22.074 1.00 55.33 H new ATOM 0 HA VAL A 19 -4.783 0.067 -23.713 1.00 42.03 H new ATOM 0 HB VAL A 19 -3.783 1.872 -21.470 1.00 1.11 H new ATOM 0 HG11 VAL A 19 -6.160 2.434 -21.173 1.00 21.12 H new ATOM 0 HG12 VAL A 19 -5.569 2.898 -22.786 1.00 21.12 H new ATOM 0 HG13 VAL A 19 -6.569 1.439 -22.590 1.00 21.12 H new ATOM 0 HG21 VAL A 19 -5.189 0.486 -20.000 1.00 51.31 H new ATOM 0 HG22 VAL A 19 -5.557 -0.587 -21.371 1.00 51.31 H new ATOM 0 HG23 VAL A 19 -3.890 -0.464 -20.760 1.00 51.31 H new ATOM 300 N ALA A 20 -4.662 2.265 -24.969 1.00 4.41 N ATOM 301 CA ALA A 20 -4.478 3.378 -25.891 1.00 24.51 C ATOM 302 C ALA A 20 -4.804 4.708 -25.221 1.00 11.44 C ATOM 303 O ALA A 20 -5.866 4.866 -24.618 1.00 52.44 O ATOM 304 CB ALA A 20 -5.339 3.185 -27.130 1.00 33.31 C ATOM 0 H ALA A 20 -5.589 1.842 -24.999 1.00 4.41 H new ATOM 0 HA ALA A 20 -3.430 3.399 -26.189 1.00 24.51 H new ATOM 0 HB1 ALA A 20 -5.191 4.024 -27.810 1.00 33.31 H new ATOM 0 HB2 ALA A 20 -5.055 2.259 -27.630 1.00 33.31 H new ATOM 0 HB3 ALA A 20 -6.388 3.134 -26.840 1.00 33.31 H new ATOM 310 N VAL A 21 -3.884 5.661 -25.326 1.00 30.21 N ATOM 311 CA VAL A 21 -4.074 6.978 -24.730 1.00 32.14 C ATOM 312 C VAL A 21 -5.054 7.813 -25.545 1.00 54.33 C ATOM 313 O VAL A 21 -5.719 8.703 -25.015 1.00 62.02 O ATOM 314 CB VAL A 21 -2.741 7.739 -24.613 1.00 51.43 C ATOM 315 CG1 VAL A 21 -2.035 7.789 -25.959 1.00 51.25 C ATOM 316 CG2 VAL A 21 -2.974 9.142 -24.071 1.00 30.23 C ATOM 0 H VAL A 21 -2.998 5.546 -25.819 1.00 30.21 H new ATOM 0 HA VAL A 21 -4.480 6.818 -23.731 1.00 32.14 H new ATOM 0 HB VAL A 21 -2.098 7.206 -23.912 1.00 51.43 H new ATOM 0 HG11 VAL A 21 -1.095 8.331 -25.857 1.00 51.25 H new ATOM 0 HG12 VAL A 21 -1.834 6.774 -26.302 1.00 51.25 H new ATOM 0 HG13 VAL A 21 -2.670 8.298 -26.684 1.00 51.25 H new ATOM 0 HG21 VAL A 21 -2.021 9.666 -23.995 1.00 30.23 H new ATOM 0 HG22 VAL A 21 -3.635 9.687 -24.745 1.00 30.23 H new ATOM 0 HG23 VAL A 21 -3.433 9.079 -23.085 1.00 30.23 H new ATOM 396 N LYS A 28 -2.555 5.053 -31.167 1.00 1.22 N ATOM 397 CA LYS A 28 -1.813 5.838 -30.187 1.00 53.52 C ATOM 398 C LYS A 28 -1.783 5.132 -28.835 1.00 11.10 C ATOM 399 O LYS A 28 -2.617 5.393 -27.968 1.00 10.00 O ATOM 400 CB LYS A 28 -2.440 7.225 -30.036 1.00 54.44 C ATOM 401 CG LYS A 28 -1.754 8.297 -30.865 1.00 53.13 C ATOM 402 CD LYS A 28 -1.120 9.362 -29.986 1.00 63.14 C ATOM 403 CE LYS A 28 -0.675 10.567 -30.802 1.00 33.34 C ATOM 404 NZ LYS A 28 0.807 10.714 -30.812 1.00 12.35 N ATOM 0 HA LYS A 28 -0.789 5.945 -30.544 1.00 53.52 H new ATOM 0 HB2 LYS A 28 -3.490 7.173 -30.323 1.00 54.44 H new ATOM 0 HB3 LYS A 28 -2.410 7.515 -28.986 1.00 54.44 H new ATOM 0 HG2 LYS A 28 -0.989 7.839 -31.492 1.00 53.13 H new ATOM 0 HG3 LYS A 28 -2.479 8.761 -31.534 1.00 53.13 H new ATOM 0 HD2 LYS A 28 -1.834 9.680 -29.226 1.00 63.14 H new ATOM 0 HD3 LYS A 28 -0.263 8.940 -29.462 1.00 63.14 H new ATOM 0 HE2 LYS A 28 -1.037 10.466 -31.825 1.00 33.34 H new ATOM 0 HE3 LYS A 28 -1.127 11.470 -30.392 1.00 33.34 H new ATOM 0 HZ1 LYS A 28 1.070 11.546 -31.378 1.00 12.35 H new ATOM 0 HZ2 LYS A 28 1.150 10.836 -29.838 1.00 12.35 H new ATOM 0 HZ3 LYS A 28 1.237 9.863 -31.227 1.00 12.35 H new ATOM 418 N LYS A 29 -0.815 4.239 -28.661 1.00 61.35 N ATOM 419 CA LYS A 29 -0.673 3.498 -27.413 1.00 20.40 C ATOM 420 C LYS A 29 -0.038 4.366 -26.333 1.00 71.05 C ATOM 421 O LYS A 29 0.835 5.187 -26.616 1.00 65.54 O ATOM 422 CB LYS A 29 0.175 2.242 -27.636 1.00 55.12 C ATOM 423 CG LYS A 29 1.633 2.538 -27.937 1.00 42.45 C ATOM 424 CD LYS A 29 2.474 1.274 -27.918 1.00 25.54 C ATOM 425 CE LYS A 29 3.933 1.578 -27.615 1.00 12.33 C ATOM 426 NZ LYS A 29 4.669 0.367 -27.156 1.00 22.03 N ATOM 0 H LYS A 29 -0.117 4.011 -29.369 1.00 61.35 H new ATOM 0 HA LYS A 29 -1.668 3.204 -27.079 1.00 20.40 H new ATOM 0 HB2 LYS A 29 0.117 1.612 -26.748 1.00 55.12 H new ATOM 0 HB3 LYS A 29 -0.249 1.670 -28.461 1.00 55.12 H new ATOM 0 HG2 LYS A 29 1.714 3.015 -28.914 1.00 42.45 H new ATOM 0 HG3 LYS A 29 2.021 3.245 -27.203 1.00 42.45 H new ATOM 0 HD2 LYS A 29 2.082 0.586 -27.169 1.00 25.54 H new ATOM 0 HD3 LYS A 29 2.399 0.772 -28.882 1.00 25.54 H new ATOM 0 HE2 LYS A 29 4.413 1.978 -28.508 1.00 12.33 H new ATOM 0 HE3 LYS A 29 3.991 2.351 -26.848 1.00 12.33 H new ATOM 0 HZ1 LYS A 29 5.659 0.616 -26.960 1.00 22.03 H new ATOM 0 HZ2 LYS A 29 4.226 -0.001 -26.290 1.00 22.03 H new ATOM 0 HZ3 LYS A 29 4.636 -0.361 -27.898 1.00 22.03 H new ATOM 440 N PHE A 30 -0.481 4.180 -25.094 1.00 3.10 N ATOM 441 CA PHE A 30 0.045 4.947 -23.971 1.00 43.14 C ATOM 442 C PHE A 30 1.568 4.864 -23.921 1.00 43.21 C ATOM 443 O PHE A 30 2.182 4.087 -24.650 1.00 44.24 O ATOM 444 CB PHE A 30 -0.547 4.438 -22.656 1.00 14.24 C ATOM 445 CG PHE A 30 -1.558 5.372 -22.051 1.00 70.32 C ATOM 446 CD1 PHE A 30 -2.892 5.010 -21.969 1.00 14.41 C ATOM 447 CD2 PHE A 30 -1.171 6.611 -21.567 1.00 51.11 C ATOM 448 CE1 PHE A 30 -3.824 5.867 -21.414 1.00 34.03 C ATOM 449 CE2 PHE A 30 -2.098 7.471 -21.010 1.00 54.40 C ATOM 450 CZ PHE A 30 -3.426 7.100 -20.935 1.00 15.22 C ATOM 0 H PHE A 30 -1.203 3.505 -24.842 1.00 3.10 H new ATOM 0 HA PHE A 30 -0.241 5.990 -24.111 1.00 43.14 H new ATOM 0 HB2 PHE A 30 -1.017 3.470 -22.829 1.00 14.24 H new ATOM 0 HB3 PHE A 30 0.260 4.277 -21.942 1.00 14.24 H new ATOM 0 HD1 PHE A 30 -3.208 4.047 -22.343 1.00 14.41 H new ATOM 0 HD2 PHE A 30 -0.134 6.908 -21.626 1.00 51.11 H new ATOM 0 HE1 PHE A 30 -4.862 5.573 -21.355 1.00 34.03 H new ATOM 0 HE2 PHE A 30 -1.784 8.433 -20.633 1.00 54.40 H new ATOM 0 HZ PHE A 30 -4.152 7.773 -20.503 1.00 15.22 H new ATOM 460 N GLY A 31 2.171 5.673 -23.054 1.00 1.41 N ATOM 461 CA GLY A 31 3.616 5.676 -22.924 1.00 72.34 C ATOM 462 C GLY A 31 4.072 6.049 -21.528 1.00 44.34 C ATOM 463 O GLY A 31 3.269 6.475 -20.699 1.00 31.30 O ATOM 0 H GLY A 31 1.684 6.326 -22.440 1.00 1.41 H new ATOM 0 HA2 GLY A 31 4.002 4.689 -23.177 1.00 72.34 H new ATOM 0 HA3 GLY A 31 4.041 6.378 -23.641 1.00 72.34 H new ATOM 467 N GLU A 32 5.366 5.888 -21.267 1.00 1.32 N ATOM 468 CA GLU A 32 5.926 6.208 -19.959 1.00 52.12 C ATOM 469 C GLU A 32 5.721 7.684 -19.626 1.00 63.34 C ATOM 470 O GLU A 32 5.219 8.027 -18.557 1.00 32.31 O ATOM 471 CB GLU A 32 7.417 5.868 -19.921 1.00 22.00 C ATOM 472 CG GLU A 32 7.781 4.849 -18.854 1.00 23.45 C ATOM 473 CD GLU A 32 9.270 4.568 -18.801 1.00 24.53 C ATOM 474 OE1 GLU A 32 9.769 4.213 -17.712 1.00 54.50 O ATOM 475 OE2 GLU A 32 9.938 4.700 -19.848 1.00 31.22 O ATOM 0 H GLU A 32 6.045 5.538 -21.943 1.00 1.32 H new ATOM 0 HA GLU A 32 5.405 5.609 -19.212 1.00 52.12 H new ATOM 0 HB2 GLU A 32 7.719 5.485 -20.896 1.00 22.00 H new ATOM 0 HB3 GLU A 32 7.985 6.782 -19.748 1.00 22.00 H new ATOM 0 HG2 GLU A 32 7.449 5.212 -17.881 1.00 23.45 H new ATOM 0 HG3 GLU A 32 7.246 3.919 -19.047 1.00 23.45 H new ATOM 482 N GLY A 33 6.116 8.554 -20.552 1.00 63.31 N ATOM 483 CA GLY A 33 5.969 9.981 -20.339 1.00 65.53 C ATOM 484 C GLY A 33 4.518 10.411 -20.268 1.00 20.43 C ATOM 485 O GLY A 33 4.186 11.396 -19.611 1.00 24.01 O ATOM 0 H GLY A 33 6.535 8.295 -21.445 1.00 63.31 H new ATOM 0 HA2 GLY A 33 6.473 10.261 -19.414 1.00 65.53 H new ATOM 0 HA3 GLY A 33 6.465 10.519 -21.147 1.00 65.53 H new ATOM 489 N ASN A 34 3.649 9.670 -20.951 1.00 5.22 N ATOM 490 CA ASN A 34 2.225 9.982 -20.964 1.00 22.23 C ATOM 491 C ASN A 34 1.596 9.710 -19.600 1.00 73.13 C ATOM 492 O ASN A 34 1.036 10.610 -18.973 1.00 20.25 O ATOM 493 CB ASN A 34 1.512 9.159 -22.040 1.00 24.13 C ATOM 494 CG ASN A 34 1.378 9.913 -23.349 1.00 35.13 C ATOM 495 OD1 ASN A 34 2.018 10.944 -23.553 1.00 2.23 O ATOM 496 ND2 ASN A 34 0.542 9.398 -24.243 1.00 75.53 N ATOM 0 H ASN A 34 3.907 8.851 -21.501 1.00 5.22 H new ATOM 0 HA ASN A 34 2.112 11.042 -21.192 1.00 22.23 H new ATOM 0 HB2 ASN A 34 2.063 8.234 -22.211 1.00 24.13 H new ATOM 0 HB3 ASN A 34 0.521 8.878 -21.682 1.00 24.13 H new ATOM 0 HD21 ASN A 34 0.410 9.860 -25.143 1.00 75.53 H new ATOM 0 HD22 ASN A 34 0.032 8.541 -24.030 1.00 75.53 H new ATOM 503 N PHE A 35 1.692 8.464 -19.148 1.00 43.33 N ATOM 504 CA PHE A 35 1.133 8.075 -17.859 1.00 30.43 C ATOM 505 C PHE A 35 1.785 8.857 -16.723 1.00 33.14 C ATOM 506 O PHE A 35 1.120 9.255 -15.767 1.00 10.41 O ATOM 507 CB PHE A 35 1.319 6.573 -17.633 1.00 1.54 C ATOM 508 CG PHE A 35 0.120 5.754 -18.019 1.00 61.52 C ATOM 509 CD1 PHE A 35 0.242 4.703 -18.914 1.00 53.04 C ATOM 510 CD2 PHE A 35 -1.128 6.036 -17.488 1.00 73.20 C ATOM 511 CE1 PHE A 35 -0.859 3.948 -19.272 1.00 41.25 C ATOM 512 CE2 PHE A 35 -2.232 5.285 -17.842 1.00 21.54 C ATOM 513 CZ PHE A 35 -2.098 4.240 -18.736 1.00 24.21 C ATOM 0 H PHE A 35 2.151 7.707 -19.655 1.00 43.33 H new ATOM 0 HA PHE A 35 0.068 8.306 -17.868 1.00 30.43 H new ATOM 0 HB2 PHE A 35 2.181 6.232 -18.206 1.00 1.54 H new ATOM 0 HB3 PHE A 35 1.545 6.398 -16.581 1.00 1.54 H new ATOM 0 HD1 PHE A 35 1.208 4.471 -19.337 1.00 53.04 H new ATOM 0 HD2 PHE A 35 -1.239 6.852 -16.789 1.00 73.20 H new ATOM 0 HE1 PHE A 35 -0.751 3.131 -19.970 1.00 41.25 H new ATOM 0 HE2 PHE A 35 -3.199 5.515 -17.420 1.00 21.54 H new ATOM 0 HZ PHE A 35 -2.960 3.653 -19.015 1.00 24.21 H new ATOM 523 N ARG A 36 3.091 9.072 -16.836 1.00 61.05 N ATOM 524 CA ARG A 36 3.835 9.805 -15.818 1.00 62.11 C ATOM 525 C ARG A 36 3.343 11.246 -15.717 1.00 40.51 C ATOM 526 O ARG A 36 3.230 11.798 -14.623 1.00 20.02 O ATOM 527 CB ARG A 36 5.331 9.787 -16.138 1.00 43.44 C ATOM 528 CG ARG A 36 6.037 8.520 -15.682 1.00 54.21 C ATOM 529 CD ARG A 36 7.334 8.300 -16.444 1.00 11.41 C ATOM 530 NE ARG A 36 8.493 8.788 -15.702 1.00 3.14 N ATOM 531 CZ ARG A 36 9.749 8.572 -16.077 1.00 5.51 C ATOM 532 NH1 ARG A 36 10.007 7.883 -17.179 1.00 32.55 N ATOM 533 NH2 ARG A 36 10.751 9.048 -15.348 1.00 63.43 N ATOM 0 H ARG A 36 3.656 8.750 -17.622 1.00 61.05 H new ATOM 0 HA ARG A 36 3.669 9.315 -14.859 1.00 62.11 H new ATOM 0 HB2 ARG A 36 5.465 9.900 -17.214 1.00 43.44 H new ATOM 0 HB3 ARG A 36 5.805 10.647 -15.665 1.00 43.44 H new ATOM 0 HG2 ARG A 36 6.247 8.584 -14.614 1.00 54.21 H new ATOM 0 HG3 ARG A 36 5.379 7.663 -15.827 1.00 54.21 H new ATOM 0 HD2 ARG A 36 7.457 7.237 -16.651 1.00 11.41 H new ATOM 0 HD3 ARG A 36 7.280 8.808 -17.407 1.00 11.41 H new ATOM 0 HE ARG A 36 8.329 9.324 -14.850 1.00 3.14 H new ATOM 0 HH11 ARG A 36 9.240 7.516 -17.743 1.00 32.55 H new ATOM 0 HH12 ARG A 36 10.973 7.719 -17.464 1.00 32.55 H new ATOM 0 HH21 ARG A 36 10.557 9.580 -14.500 1.00 63.43 H new ATOM 0 HH22 ARG A 36 11.715 8.882 -15.636 1.00 63.43 H new ATOM 547 N TRP A 37 3.053 11.848 -16.865 1.00 53.13 N ATOM 548 CA TRP A 37 2.574 13.226 -16.905 1.00 33.34 C ATOM 549 C TRP A 37 1.191 13.339 -16.271 1.00 70.14 C ATOM 550 O TRP A 37 0.891 14.317 -15.587 1.00 20.20 O ATOM 551 CB TRP A 37 2.529 13.729 -18.349 1.00 11.13 C ATOM 552 CG TRP A 37 1.753 15.001 -18.510 1.00 72.34 C ATOM 553 CD1 TRP A 37 2.257 16.270 -18.546 1.00 74.23 C ATOM 554 CD2 TRP A 37 0.334 15.126 -18.656 1.00 53.30 C ATOM 555 NE1 TRP A 37 1.236 17.177 -18.705 1.00 5.12 N ATOM 556 CE2 TRP A 37 0.047 16.500 -18.776 1.00 45.52 C ATOM 557 CE3 TRP A 37 -0.722 14.213 -18.698 1.00 21.11 C ATOM 558 CZ2 TRP A 37 -1.250 16.979 -18.934 1.00 54.35 C ATOM 559 CZ3 TRP A 37 -2.010 14.689 -18.855 1.00 33.02 C ATOM 560 CH2 TRP A 37 -2.265 16.061 -18.971 1.00 53.14 C ATOM 0 H TRP A 37 3.141 11.405 -17.779 1.00 53.13 H new ATOM 0 HA TRP A 37 3.267 13.843 -16.334 1.00 33.34 H new ATOM 0 HB2 TRP A 37 3.548 13.886 -18.704 1.00 11.13 H new ATOM 0 HB3 TRP A 37 2.086 12.959 -18.981 1.00 11.13 H new ATOM 0 HD1 TRP A 37 3.303 16.524 -18.462 1.00 74.23 H new ATOM 0 HE1 TRP A 37 1.346 18.190 -18.761 1.00 5.12 H new ATOM 0 HE3 TRP A 37 -0.535 13.153 -18.609 1.00 21.11 H new ATOM 0 HZ2 TRP A 37 -1.449 18.037 -19.024 1.00 54.35 H new ATOM 0 HZ3 TRP A 37 -2.834 13.991 -18.889 1.00 33.02 H new ATOM 0 HH2 TRP A 37 -3.283 16.402 -19.092 1.00 53.14 H new ATOM 571 N ALA A 38 0.354 12.333 -16.502 1.00 43.41 N ATOM 572 CA ALA A 38 -0.995 12.321 -15.951 1.00 3.31 C ATOM 573 C ALA A 38 -0.978 11.979 -14.465 1.00 52.34 C ATOM 574 O ALA A 38 -1.429 12.767 -13.632 1.00 41.14 O ATOM 575 CB ALA A 38 -1.867 11.332 -16.711 1.00 60.53 C ATOM 0 H ALA A 38 0.587 11.516 -17.067 1.00 43.41 H new ATOM 0 HA ALA A 38 -1.415 13.321 -16.063 1.00 3.31 H new ATOM 0 HB1 ALA A 38 -2.872 11.334 -16.289 1.00 60.53 H new ATOM 0 HB2 ALA A 38 -1.914 11.621 -17.761 1.00 60.53 H new ATOM 0 HB3 ALA A 38 -1.440 10.332 -16.628 1.00 60.53 H new ATOM 581 N ILE A 39 -0.455 10.802 -14.139 1.00 15.13 N ATOM 582 CA ILE A 39 -0.381 10.359 -12.752 1.00 24.34 C ATOM 583 C ILE A 39 0.249 11.428 -11.866 1.00 32.43 C ATOM 584 O ILE A 39 -0.113 11.573 -10.699 1.00 34.13 O ATOM 585 CB ILE A 39 0.432 9.056 -12.622 1.00 0.02 C ATOM 586 CG1 ILE A 39 1.897 9.305 -12.985 1.00 4.13 C ATOM 587 CG2 ILE A 39 -0.163 7.971 -13.507 1.00 25.53 C ATOM 588 CD1 ILE A 39 2.769 9.624 -11.792 1.00 4.31 C ATOM 0 H ILE A 39 -0.077 10.139 -14.815 1.00 15.13 H new ATOM 0 HA ILE A 39 -1.404 10.176 -12.423 1.00 24.34 H new ATOM 0 HB ILE A 39 0.387 8.718 -11.587 1.00 0.02 H new ATOM 0 HG12 ILE A 39 2.293 8.423 -13.489 1.00 4.13 H new ATOM 0 HG13 ILE A 39 1.952 10.130 -13.696 1.00 4.13 H new ATOM 0 HG21 ILE A 39 0.422 7.057 -13.405 1.00 25.53 H new ATOM 0 HG22 ILE A 39 -1.193 7.779 -13.205 1.00 25.53 H new ATOM 0 HG23 ILE A 39 -0.145 8.299 -14.546 1.00 25.53 H new ATOM 0 HD11 ILE A 39 3.794 9.789 -12.124 1.00 4.31 H new ATOM 0 HD12 ILE A 39 2.398 10.523 -11.300 1.00 4.31 H new ATOM 0 HD13 ILE A 39 2.745 8.790 -11.090 1.00 4.31 H new ATOM 600 N ARG A 40 1.193 12.175 -12.429 1.00 75.24 N ATOM 601 CA ARG A 40 1.873 13.232 -11.691 1.00 13.11 C ATOM 602 C ARG A 40 0.941 14.418 -11.457 1.00 60.14 C ATOM 603 O ARG A 40 0.611 14.746 -10.318 1.00 40.05 O ATOM 604 CB ARG A 40 3.120 13.691 -12.448 1.00 55.54 C ATOM 605 CG ARG A 40 3.916 14.761 -11.718 1.00 13.21 C ATOM 606 CD ARG A 40 5.125 15.204 -12.527 1.00 45.24 C ATOM 607 NE ARG A 40 6.290 15.448 -11.680 1.00 13.14 N ATOM 608 CZ ARG A 40 7.511 15.662 -12.155 1.00 43.43 C ATOM 609 NH1 ARG A 40 7.727 15.663 -13.463 1.00 3.31 N ATOM 610 NH2 ARG A 40 8.521 15.876 -11.320 1.00 60.11 N ATOM 0 H ARG A 40 1.504 12.067 -13.394 1.00 75.24 H new ATOM 0 HA ARG A 40 2.172 12.830 -10.723 1.00 13.11 H new ATOM 0 HB2 ARG A 40 3.764 12.830 -12.627 1.00 55.54 H new ATOM 0 HB3 ARG A 40 2.822 14.074 -13.424 1.00 55.54 H new ATOM 0 HG2 ARG A 40 3.275 15.620 -11.519 1.00 13.21 H new ATOM 0 HG3 ARG A 40 4.244 14.377 -10.752 1.00 13.21 H new ATOM 0 HD2 ARG A 40 5.367 14.440 -13.265 1.00 45.24 H new ATOM 0 HD3 ARG A 40 4.880 16.112 -13.077 1.00 45.24 H new ATOM 0 HE ARG A 40 6.158 15.454 -10.669 1.00 13.14 H new ATOM 0 HH11 ARG A 40 6.954 15.499 -14.108 1.00 3.31 H new ATOM 0 HH12 ARG A 40 8.666 15.828 -13.825 1.00 3.31 H new ATOM 0 HH21 ARG A 40 8.359 15.876 -10.313 1.00 60.11 H new ATOM 0 HH22 ARG A 40 9.459 16.040 -11.686 1.00 60.11 H new ATOM 624 N MET A 41 0.521 15.056 -12.545 1.00 55.32 N ATOM 625 CA MET A 41 -0.374 16.205 -12.458 1.00 51.01 C ATOM 626 C MET A 41 -1.600 15.877 -11.613 1.00 13.12 C ATOM 627 O MET A 41 -2.176 16.754 -10.971 1.00 50.44 O ATOM 628 CB MET A 41 -0.807 16.648 -13.857 1.00 41.42 C ATOM 629 CG MET A 41 -1.553 17.972 -13.871 1.00 75.42 C ATOM 630 SD MET A 41 -0.619 19.286 -14.680 1.00 54.51 S ATOM 631 CE MET A 41 -1.919 20.108 -15.599 1.00 43.52 C ATOM 0 H MET A 41 0.785 14.798 -13.496 1.00 55.32 H new ATOM 0 HA MET A 41 0.168 17.020 -11.978 1.00 51.01 H new ATOM 0 HB2 MET A 41 0.075 16.730 -14.492 1.00 41.42 H new ATOM 0 HB3 MET A 41 -1.443 15.877 -14.293 1.00 41.42 H new ATOM 0 HG2 MET A 41 -2.507 17.842 -14.382 1.00 75.42 H new ATOM 0 HG3 MET A 41 -1.778 18.269 -12.847 1.00 75.42 H new ATOM 0 HE1 MET A 41 -1.498 20.947 -16.154 1.00 43.52 H new ATOM 0 HE2 MET A 41 -2.373 19.404 -16.296 1.00 43.52 H new ATOM 0 HE3 MET A 41 -2.678 20.475 -14.907 1.00 43.52 H new ATOM 641 N ALA A 42 -1.995 14.608 -11.619 1.00 31.40 N ATOM 642 CA ALA A 42 -3.152 14.164 -10.852 1.00 55.25 C ATOM 643 C ALA A 42 -2.882 14.248 -9.353 1.00 75.45 C ATOM 644 O ALA A 42 -3.643 14.865 -8.610 1.00 12.30 O ATOM 645 CB ALA A 42 -3.532 12.743 -11.243 1.00 42.14 C ATOM 0 H ALA A 42 -1.530 13.869 -12.147 1.00 31.40 H new ATOM 0 HA ALA A 42 -3.986 14.827 -11.083 1.00 55.25 H new ATOM 0 HB1 ALA A 42 -4.398 12.425 -10.662 1.00 42.14 H new ATOM 0 HB2 ALA A 42 -3.776 12.711 -12.305 1.00 42.14 H new ATOM 0 HB3 ALA A 42 -2.695 12.074 -11.043 1.00 42.14 H new ATOM 651 N ASN A 43 -1.794 13.623 -8.917 1.00 21.13 N ATOM 652 CA ASN A 43 -1.424 13.626 -7.506 1.00 71.23 C ATOM 653 C ASN A 43 -1.238 15.052 -6.996 1.00 14.31 C ATOM 654 O ASN A 43 -1.792 15.431 -5.963 1.00 63.40 O ATOM 655 CB ASN A 43 -0.140 12.824 -7.292 1.00 2.14 C ATOM 656 CG ASN A 43 -0.212 11.440 -7.908 1.00 23.12 C ATOM 657 OD1 ASN A 43 -1.294 10.875 -8.065 1.00 52.15 O ATOM 658 ND2 ASN A 43 0.943 10.887 -8.259 1.00 50.31 N ATOM 0 H ASN A 43 -1.153 13.108 -9.520 1.00 21.13 H new ATOM 0 HA ASN A 43 -2.233 13.160 -6.943 1.00 71.23 H new ATOM 0 HB2 ASN A 43 0.700 13.367 -7.724 1.00 2.14 H new ATOM 0 HB3 ASN A 43 0.054 12.733 -6.223 1.00 2.14 H new ATOM 0 HD21 ASN A 43 0.957 9.957 -8.677 1.00 50.31 H new ATOM 0 HD22 ASN A 43 1.816 11.392 -8.110 1.00 50.31 H new ATOM 665 N VAL A 44 -0.455 15.839 -7.727 1.00 22.22 N ATOM 666 CA VAL A 44 -0.197 17.223 -7.350 1.00 42.11 C ATOM 667 C VAL A 44 -1.486 18.036 -7.325 1.00 33.51 C ATOM 668 O VAL A 44 -1.686 18.876 -6.448 1.00 12.21 O ATOM 669 CB VAL A 44 0.800 17.891 -8.317 1.00 52.40 C ATOM 670 CG1 VAL A 44 1.060 19.332 -7.903 1.00 24.21 C ATOM 671 CG2 VAL A 44 2.098 17.101 -8.372 1.00 22.31 C ATOM 0 H VAL A 44 0.012 15.541 -8.584 1.00 22.22 H new ATOM 0 HA VAL A 44 0.235 17.203 -6.350 1.00 42.11 H new ATOM 0 HB VAL A 44 0.363 17.898 -9.316 1.00 52.40 H new ATOM 0 HG11 VAL A 44 1.766 19.788 -8.597 1.00 24.21 H new ATOM 0 HG12 VAL A 44 0.124 19.890 -7.919 1.00 24.21 H new ATOM 0 HG13 VAL A 44 1.477 19.352 -6.896 1.00 24.21 H new ATOM 0 HG21 VAL A 44 2.791 17.587 -9.059 1.00 22.31 H new ATOM 0 HG22 VAL A 44 2.542 17.061 -7.377 1.00 22.31 H new ATOM 0 HG23 VAL A 44 1.893 16.088 -8.719 1.00 22.31 H new ATOM 681 N SER A 45 -2.359 17.780 -8.294 1.00 13.10 N ATOM 682 CA SER A 45 -3.629 18.490 -8.386 1.00 73.00 C ATOM 683 C SER A 45 -4.451 18.300 -7.114 1.00 64.14 C ATOM 684 O SER A 45 -5.291 19.133 -6.773 1.00 52.41 O ATOM 685 CB SER A 45 -4.424 18.002 -9.598 1.00 11.13 C ATOM 686 OG SER A 45 -4.157 18.798 -10.739 1.00 50.34 O ATOM 0 H SER A 45 -2.210 17.086 -9.027 1.00 13.10 H new ATOM 0 HA SER A 45 -3.415 19.552 -8.505 1.00 73.00 H new ATOM 0 HB2 SER A 45 -4.170 16.963 -9.808 1.00 11.13 H new ATOM 0 HB3 SER A 45 -5.490 18.030 -9.373 1.00 11.13 H new ATOM 0 HG SER A 45 -3.393 18.425 -11.226 1.00 50.34 H new ATOM 692 N THR A 46 -4.202 17.196 -6.416 1.00 73.20 N ATOM 693 CA THR A 46 -4.919 16.894 -5.183 1.00 73.03 C ATOM 694 C THR A 46 -4.095 17.281 -3.960 1.00 52.14 C ATOM 695 O THR A 46 -4.628 17.421 -2.860 1.00 24.03 O ATOM 696 CB THR A 46 -5.279 15.400 -5.094 1.00 24.23 C ATOM 697 OG1 THR A 46 -4.085 14.609 -5.065 1.00 63.15 O ATOM 698 CG2 THR A 46 -6.143 14.979 -6.273 1.00 44.13 C ATOM 0 H THR A 46 -3.509 16.497 -6.684 1.00 73.20 H new ATOM 0 HA THR A 46 -5.838 17.480 -5.199 1.00 73.03 H new ATOM 0 HB THR A 46 -5.843 15.240 -4.175 1.00 24.23 H new ATOM 0 HG1 THR A 46 -3.326 15.151 -5.367 1.00 63.15 H new ATOM 0 HG21 THR A 46 -6.384 13.919 -6.187 1.00 44.13 H new ATOM 0 HG22 THR A 46 -7.064 15.562 -6.275 1.00 44.13 H new ATOM 0 HG23 THR A 46 -5.601 15.154 -7.202 1.00 44.13 H new ATOM 706 N GLY A 47 -2.792 17.455 -4.161 1.00 34.01 N ATOM 707 CA GLY A 47 -1.917 17.826 -3.064 1.00 24.34 C ATOM 708 C GLY A 47 -1.402 16.621 -2.300 1.00 31.51 C ATOM 709 O GLY A 47 -0.925 16.750 -1.173 1.00 13.01 O ATOM 0 H GLY A 47 -2.327 17.346 -5.062 1.00 34.01 H new ATOM 0 HA2 GLY A 47 -1.072 18.394 -3.453 1.00 24.34 H new ATOM 0 HA3 GLY A 47 -2.455 18.483 -2.381 1.00 24.34 H new ATOM 713 N ARG A 48 -1.501 15.446 -2.915 1.00 55.11 N ATOM 714 CA ARG A 48 -1.046 14.213 -2.284 1.00 41.11 C ATOM 715 C ARG A 48 0.394 13.902 -2.677 1.00 61.52 C ATOM 716 O ARG A 48 0.712 12.778 -3.064 1.00 22.34 O ATOM 717 CB ARG A 48 -1.957 13.049 -2.675 1.00 21.14 C ATOM 718 CG ARG A 48 -3.288 13.043 -1.942 1.00 1.32 C ATOM 719 CD ARG A 48 -3.492 11.750 -1.166 1.00 42.24 C ATOM 720 NE ARG A 48 -2.973 11.843 0.197 1.00 74.11 N ATOM 721 CZ ARG A 48 -3.623 12.438 1.191 1.00 33.02 C ATOM 722 NH1 ARG A 48 -4.809 12.990 0.976 1.00 4.33 N ATOM 723 NH2 ARG A 48 -3.086 12.481 2.404 1.00 73.41 N ATOM 0 H ARG A 48 -1.892 15.323 -3.849 1.00 55.11 H new ATOM 0 HA ARG A 48 -1.088 14.350 -1.203 1.00 41.11 H new ATOM 0 HB2 ARG A 48 -2.143 13.090 -3.748 1.00 21.14 H new ATOM 0 HB3 ARG A 48 -1.439 12.111 -2.477 1.00 21.14 H new ATOM 0 HG2 ARG A 48 -3.331 13.890 -1.257 1.00 1.32 H new ATOM 0 HG3 ARG A 48 -4.100 13.170 -2.658 1.00 1.32 H new ATOM 0 HD2 ARG A 48 -4.555 11.510 -1.134 1.00 42.24 H new ATOM 0 HD3 ARG A 48 -2.996 10.932 -1.688 1.00 42.24 H new ATOM 0 HE ARG A 48 -2.062 11.429 0.396 1.00 74.11 H new ATOM 0 HH11 ARG A 48 -5.225 12.959 0.045 1.00 4.33 H new ATOM 0 HH12 ARG A 48 -5.306 13.446 1.741 1.00 4.33 H new ATOM 0 HH21 ARG A 48 -2.174 12.057 2.573 1.00 73.41 H new ATOM 0 HH22 ARG A 48 -3.585 12.938 3.167 1.00 73.41 H new ATOM 773 N ASP A 52 3.268 10.149 -5.991 1.00 45.44 N ATOM 774 CA ASP A 52 2.171 9.353 -5.453 1.00 70.31 C ATOM 775 C ASP A 52 1.867 8.165 -6.362 1.00 12.31 C ATOM 776 O ASP A 52 1.163 8.302 -7.363 1.00 33.11 O ATOM 777 CB ASP A 52 0.920 10.216 -5.285 1.00 52.05 C ATOM 778 CG ASP A 52 0.340 10.130 -3.888 1.00 3.41 C ATOM 779 OD1 ASP A 52 -0.897 10.017 -3.764 1.00 53.32 O ATOM 780 OD2 ASP A 52 1.125 10.174 -2.917 1.00 22.05 O ATOM 0 HA ASP A 52 2.474 8.974 -4.477 1.00 70.31 H new ATOM 0 HB2 ASP A 52 1.166 11.254 -5.510 1.00 52.05 H new ATOM 0 HB3 ASP A 52 0.167 9.903 -6.008 1.00 52.05 H new ATOM 785 N ILE A 53 2.402 7.003 -6.006 1.00 24.35 N ATOM 786 CA ILE A 53 2.188 5.792 -6.789 1.00 15.30 C ATOM 787 C ILE A 53 1.349 4.779 -6.016 1.00 70.11 C ATOM 788 O ILE A 53 1.858 3.795 -5.480 1.00 11.44 O ATOM 789 CB ILE A 53 3.522 5.137 -7.190 1.00 61.11 C ATOM 790 CG1 ILE A 53 4.383 6.124 -7.981 1.00 71.25 C ATOM 791 CG2 ILE A 53 3.270 3.876 -8.003 1.00 30.33 C ATOM 792 CD1 ILE A 53 3.707 6.651 -9.228 1.00 2.51 C ATOM 0 H ILE A 53 2.987 6.874 -5.180 1.00 24.35 H new ATOM 0 HA ILE A 53 1.654 6.090 -7.691 1.00 15.30 H new ATOM 0 HB ILE A 53 4.060 4.860 -6.284 1.00 61.11 H new ATOM 0 HG12 ILE A 53 4.644 6.963 -7.337 1.00 71.25 H new ATOM 0 HG13 ILE A 53 5.316 5.636 -8.262 1.00 71.25 H new ATOM 0 HG21 ILE A 53 4.223 3.425 -8.279 1.00 30.33 H new ATOM 0 HG22 ILE A 53 2.692 3.169 -7.408 1.00 30.33 H new ATOM 0 HG23 ILE A 53 2.714 4.130 -8.905 1.00 30.33 H new ATOM 0 HD11 ILE A 53 4.375 7.345 -9.738 1.00 2.51 H new ATOM 0 HD12 ILE A 53 3.470 5.820 -9.892 1.00 2.51 H new ATOM 0 HD13 ILE A 53 2.788 7.168 -8.953 1.00 2.51 H new ATOM 804 N PRO A 54 0.032 5.023 -5.959 1.00 54.23 N ATOM 805 CA PRO A 54 -0.907 4.142 -5.256 1.00 62.34 C ATOM 806 C PRO A 54 -1.086 2.804 -5.965 1.00 21.33 C ATOM 807 O PRO A 54 -0.800 2.678 -7.155 1.00 41.33 O ATOM 808 CB PRO A 54 -2.217 4.935 -5.273 1.00 5.42 C ATOM 809 CG PRO A 54 -2.102 5.832 -6.456 1.00 35.33 C ATOM 810 CD PRO A 54 -0.644 6.178 -6.576 1.00 30.43 C ATOM 0 HA PRO A 54 -0.558 3.890 -4.255 1.00 62.34 H new ATOM 0 HB2 PRO A 54 -3.079 4.274 -5.360 1.00 5.42 H new ATOM 0 HB3 PRO A 54 -2.346 5.507 -4.354 1.00 5.42 H new ATOM 0 HG2 PRO A 54 -2.460 5.336 -7.358 1.00 35.33 H new ATOM 0 HG3 PRO A 54 -2.706 6.730 -6.325 1.00 35.33 H new ATOM 0 HD2 PRO A 54 -0.346 6.309 -7.616 1.00 30.43 H new ATOM 0 HD3 PRO A 54 -0.407 7.107 -6.057 1.00 30.43 H new ATOM 818 N GLU A 55 -1.562 1.807 -5.225 1.00 44.41 N ATOM 819 CA GLU A 55 -1.778 0.478 -5.783 1.00 32.23 C ATOM 820 C GLU A 55 -2.952 -0.215 -5.098 1.00 20.34 C ATOM 821 O GLU A 55 -2.894 -1.408 -4.797 1.00 10.12 O ATOM 822 CB GLU A 55 -0.514 -0.373 -5.639 1.00 14.20 C ATOM 823 CG GLU A 55 -0.494 -1.592 -6.545 1.00 65.32 C ATOM 824 CD GLU A 55 -0.173 -1.242 -7.985 1.00 33.41 C ATOM 825 OE1 GLU A 55 -0.225 -2.151 -8.841 1.00 42.43 O ATOM 826 OE2 GLU A 55 0.131 -0.062 -8.257 1.00 12.12 O ATOM 0 H GLU A 55 -1.805 1.895 -4.238 1.00 44.41 H new ATOM 0 HA GLU A 55 -2.012 0.590 -6.842 1.00 32.23 H new ATOM 0 HB2 GLU A 55 0.357 0.245 -5.857 1.00 14.20 H new ATOM 0 HB3 GLU A 55 -0.422 -0.699 -4.603 1.00 14.20 H new ATOM 0 HG2 GLU A 55 0.244 -2.304 -6.175 1.00 65.32 H new ATOM 0 HG3 GLU A 55 -1.464 -2.088 -6.503 1.00 65.32 H new ATOM 833 N THR A 56 -4.017 0.541 -4.853 1.00 12.25 N ATOM 834 CA THR A 56 -5.204 0.001 -4.202 1.00 11.51 C ATOM 835 C THR A 56 -6.472 0.650 -4.744 1.00 53.34 C ATOM 836 O THR A 56 -6.520 1.864 -4.952 1.00 33.03 O ATOM 837 CB THR A 56 -5.149 0.204 -2.676 1.00 35.04 C ATOM 838 OG1 THR A 56 -5.384 1.579 -2.355 1.00 14.11 O ATOM 839 CG2 THR A 56 -3.800 -0.228 -2.121 1.00 11.23 C ATOM 0 H THR A 56 -4.082 1.530 -5.096 1.00 12.25 H new ATOM 0 HA THR A 56 -5.225 -1.067 -4.419 1.00 11.51 H new ATOM 0 HB THR A 56 -5.925 -0.412 -2.222 1.00 35.04 H new ATOM 0 HG1 THR A 56 -6.052 1.639 -1.641 1.00 14.11 H new ATOM 0 HG21 THR A 56 -3.785 -0.075 -1.042 1.00 11.23 H new ATOM 0 HG22 THR A 56 -3.637 -1.283 -2.341 1.00 11.23 H new ATOM 0 HG23 THR A 56 -3.010 0.365 -2.582 1.00 11.23 H new ATOM 847 N LEU A 57 -7.498 -0.162 -4.970 1.00 21.14 N ATOM 848 CA LEU A 57 -8.769 0.334 -5.487 1.00 63.53 C ATOM 849 C LEU A 57 -9.277 1.505 -4.652 1.00 24.35 C ATOM 850 O LEU A 57 -9.913 2.421 -5.172 1.00 64.24 O ATOM 851 CB LEU A 57 -9.809 -0.787 -5.502 1.00 62.31 C ATOM 852 CG LEU A 57 -10.859 -0.714 -6.610 1.00 73.12 C ATOM 853 CD1 LEU A 57 -11.706 0.542 -6.462 1.00 21.15 C ATOM 854 CD2 LEU A 57 -10.195 -0.752 -7.979 1.00 0.12 C ATOM 0 H LEU A 57 -7.475 -1.168 -4.803 1.00 21.14 H new ATOM 0 HA LEU A 57 -8.607 0.683 -6.507 1.00 63.53 H new ATOM 0 HB2 LEU A 57 -9.286 -1.739 -5.587 1.00 62.31 H new ATOM 0 HB3 LEU A 57 -10.324 -0.791 -4.541 1.00 62.31 H new ATOM 0 HG LEU A 57 -11.513 -1.582 -6.521 1.00 73.12 H new ATOM 0 HD11 LEU A 57 -12.448 0.577 -7.260 1.00 21.15 H new ATOM 0 HD12 LEU A 57 -12.212 0.528 -5.496 1.00 21.15 H new ATOM 0 HD13 LEU A 57 -11.066 1.422 -6.524 1.00 21.15 H new ATOM 0 HD21 LEU A 57 -10.958 -0.699 -8.755 1.00 0.12 H new ATOM 0 HD22 LEU A 57 -9.517 0.096 -8.078 1.00 0.12 H new ATOM 0 HD23 LEU A 57 -9.633 -1.680 -8.085 1.00 0.12 H new ATOM 866 N ASP A 58 -8.990 1.468 -3.356 1.00 3.23 N ATOM 867 CA ASP A 58 -9.416 2.527 -2.448 1.00 43.14 C ATOM 868 C ASP A 58 -8.629 3.809 -2.703 1.00 62.50 C ATOM 869 O ASP A 58 -9.182 4.908 -2.651 1.00 4.05 O ATOM 870 CB ASP A 58 -9.237 2.085 -0.995 1.00 12.41 C ATOM 871 CG ASP A 58 -9.368 3.238 -0.019 1.00 34.32 C ATOM 872 OD1 ASP A 58 -8.325 3.761 0.425 1.00 3.32 O ATOM 873 OD2 ASP A 58 -10.514 3.617 0.300 1.00 40.03 O ATOM 0 H ASP A 58 -8.464 0.716 -2.910 1.00 3.23 H new ATOM 0 HA ASP A 58 -10.472 2.727 -2.631 1.00 43.14 H new ATOM 0 HB2 ASP A 58 -9.980 1.324 -0.756 1.00 12.41 H new ATOM 0 HB3 ASP A 58 -8.257 1.622 -0.877 1.00 12.41 H new ATOM 878 N GLN A 59 -7.338 3.659 -2.979 1.00 45.33 N ATOM 879 CA GLN A 59 -6.475 4.807 -3.240 1.00 24.15 C ATOM 880 C GLN A 59 -6.909 5.537 -4.506 1.00 54.43 C ATOM 881 O GLN A 59 -7.060 6.759 -4.510 1.00 53.41 O ATOM 882 CB GLN A 59 -5.019 4.357 -3.370 1.00 33.50 C ATOM 883 CG GLN A 59 -4.258 4.368 -2.055 1.00 1.03 C ATOM 884 CD GLN A 59 -2.759 4.246 -2.245 1.00 50.25 C ATOM 885 OE1 GLN A 59 -2.300 3.046 -2.579 1.00 41.22 O flip ATOM 886 NE2 GLN A 59 -2.022 5.221 -2.095 1.00 22.05 N flip ATOM 0 H GLN A 59 -6.866 2.756 -3.028 1.00 45.33 H new ATOM 0 HA GLN A 59 -6.562 5.494 -2.399 1.00 24.15 H new ATOM 0 HB2 GLN A 59 -4.995 3.350 -3.785 1.00 33.50 H new ATOM 0 HB3 GLN A 59 -4.509 5.007 -4.081 1.00 33.50 H new ATOM 0 HG2 GLN A 59 -4.478 5.292 -1.520 1.00 1.03 H new ATOM 0 HG3 GLN A 59 -4.609 3.547 -1.430 1.00 1.03 H new ATOM 0 HE21 GLN A 59 -2.418 6.125 -1.838 1.00 22.05 H new ATOM 0 HE22 GLN A 59 -1.015 5.125 -2.228 1.00 22.05 H new ATOM 895 N LEU A 60 -7.109 4.781 -5.580 1.00 73.11 N ATOM 896 CA LEU A 60 -7.526 5.357 -6.854 1.00 14.23 C ATOM 897 C LEU A 60 -8.909 5.993 -6.737 1.00 64.31 C ATOM 898 O LEU A 60 -9.189 7.011 -7.369 1.00 12.31 O ATOM 899 CB LEU A 60 -7.537 4.282 -7.943 1.00 50.14 C ATOM 900 CG LEU A 60 -6.279 3.420 -8.046 1.00 5.34 C ATOM 901 CD1 LEU A 60 -6.642 1.989 -8.413 1.00 0.34 C ATOM 902 CD2 LEU A 60 -5.313 4.005 -9.065 1.00 5.14 C ATOM 0 H LEU A 60 -6.989 3.768 -5.594 1.00 73.11 H new ATOM 0 HA LEU A 60 -6.811 6.133 -7.126 1.00 14.23 H new ATOM 0 HB2 LEU A 60 -8.390 3.626 -7.769 1.00 50.14 H new ATOM 0 HB3 LEU A 60 -7.700 4.769 -8.905 1.00 50.14 H new ATOM 0 HG LEU A 60 -5.787 3.411 -7.073 1.00 5.34 H new ATOM 0 HD11 LEU A 60 -5.734 1.390 -8.482 1.00 0.34 H new ATOM 0 HD12 LEU A 60 -7.295 1.571 -7.647 1.00 0.34 H new ATOM 0 HD13 LEU A 60 -7.157 1.979 -9.374 1.00 0.34 H new ATOM 0 HD21 LEU A 60 -4.423 3.378 -9.125 1.00 5.14 H new ATOM 0 HD22 LEU A 60 -5.795 4.045 -10.042 1.00 5.14 H new ATOM 0 HD23 LEU A 60 -5.028 5.012 -8.760 1.00 5.14 H new ATOM 914 N ARG A 61 -9.767 5.385 -5.925 1.00 71.00 N ATOM 915 CA ARG A 61 -11.119 5.892 -5.725 1.00 73.30 C ATOM 916 C ARG A 61 -11.090 7.311 -5.165 1.00 21.21 C ATOM 917 O ARG A 61 -11.710 8.221 -5.717 1.00 63.45 O ATOM 918 CB ARG A 61 -11.896 4.974 -4.779 1.00 50.43 C ATOM 919 CG ARG A 61 -13.364 5.344 -4.640 1.00 42.32 C ATOM 920 CD ARG A 61 -14.047 4.518 -3.562 1.00 30.35 C ATOM 921 NE ARG A 61 -15.434 4.213 -3.903 1.00 72.32 N ATOM 922 CZ ARG A 61 -16.259 3.549 -3.102 1.00 10.53 C ATOM 923 NH1 ARG A 61 -15.838 3.122 -1.918 1.00 74.11 N ATOM 924 NH2 ARG A 61 -17.508 3.311 -3.482 1.00 4.01 N ATOM 0 H ARG A 61 -9.550 4.541 -5.395 1.00 71.00 H new ATOM 0 HA ARG A 61 -11.620 5.912 -6.693 1.00 73.30 H new ATOM 0 HB2 ARG A 61 -11.821 3.948 -5.139 1.00 50.43 H new ATOM 0 HB3 ARG A 61 -11.428 5.001 -3.795 1.00 50.43 H new ATOM 0 HG2 ARG A 61 -13.452 6.403 -4.399 1.00 42.32 H new ATOM 0 HG3 ARG A 61 -13.871 5.191 -5.593 1.00 42.32 H new ATOM 0 HD2 ARG A 61 -13.497 3.588 -3.415 1.00 30.35 H new ATOM 0 HD3 ARG A 61 -14.017 5.060 -2.617 1.00 30.35 H new ATOM 0 HE ARG A 61 -15.788 4.527 -4.806 1.00 72.32 H new ATOM 0 HH11 ARG A 61 -14.879 3.304 -1.622 1.00 74.11 H new ATOM 0 HH12 ARG A 61 -16.473 2.612 -1.304 1.00 74.11 H new ATOM 0 HH21 ARG A 61 -17.836 3.638 -4.391 1.00 4.01 H new ATOM 0 HH22 ARG A 61 -18.140 2.801 -2.865 1.00 4.01 H new ATOM 938 N LEU A 62 -10.368 7.493 -4.065 1.00 72.21 N ATOM 939 CA LEU A 62 -10.259 8.802 -3.430 1.00 4.44 C ATOM 940 C LEU A 62 -9.632 9.817 -4.379 1.00 43.25 C ATOM 941 O LEU A 62 -10.045 10.976 -4.426 1.00 72.12 O ATOM 942 CB LEU A 62 -9.425 8.701 -2.150 1.00 14.11 C ATOM 943 CG LEU A 62 -10.080 9.244 -0.879 1.00 43.14 C ATOM 944 CD1 LEU A 62 -10.542 10.678 -1.088 1.00 31.53 C ATOM 945 CD2 LEU A 62 -11.245 8.362 -0.459 1.00 4.43 C ATOM 0 H LEU A 62 -9.850 6.751 -3.594 1.00 72.21 H new ATOM 0 HA LEU A 62 -11.264 9.141 -3.177 1.00 4.44 H new ATOM 0 HB2 LEU A 62 -9.173 7.653 -1.986 1.00 14.11 H new ATOM 0 HB3 LEU A 62 -8.487 9.234 -2.308 1.00 14.11 H new ATOM 0 HG LEU A 62 -9.339 9.235 -0.080 1.00 43.14 H new ATOM 0 HD11 LEU A 62 -11.006 11.048 -0.173 1.00 31.53 H new ATOM 0 HD12 LEU A 62 -9.685 11.303 -1.339 1.00 31.53 H new ATOM 0 HD13 LEU A 62 -11.267 10.712 -1.901 1.00 31.53 H new ATOM 0 HD21 LEU A 62 -11.698 8.765 0.447 1.00 4.43 H new ATOM 0 HD22 LEU A 62 -11.988 8.337 -1.256 1.00 4.43 H new ATOM 0 HD23 LEU A 62 -10.885 7.351 -0.266 1.00 4.43 H new ATOM 957 N VAL A 63 -8.634 9.375 -5.136 1.00 20.43 N ATOM 958 CA VAL A 63 -7.952 10.244 -6.087 1.00 74.44 C ATOM 959 C VAL A 63 -8.894 10.685 -7.202 1.00 33.42 C ATOM 960 O VAL A 63 -9.107 11.880 -7.414 1.00 24.54 O ATOM 961 CB VAL A 63 -6.729 9.546 -6.710 1.00 31.13 C ATOM 962 CG1 VAL A 63 -6.042 10.462 -7.712 1.00 73.10 C ATOM 963 CG2 VAL A 63 -5.757 9.106 -5.625 1.00 74.40 C ATOM 0 H VAL A 63 -8.279 8.419 -5.109 1.00 20.43 H new ATOM 0 HA VAL A 63 -7.617 11.119 -5.531 1.00 74.44 H new ATOM 0 HB VAL A 63 -7.072 8.658 -7.242 1.00 31.13 H new ATOM 0 HG11 VAL A 63 -5.180 9.951 -8.141 1.00 73.10 H new ATOM 0 HG12 VAL A 63 -6.742 10.723 -8.506 1.00 73.10 H new ATOM 0 HG13 VAL A 63 -5.711 11.370 -7.208 1.00 73.10 H new ATOM 0 HG21 VAL A 63 -4.899 8.615 -6.083 1.00 74.40 H new ATOM 0 HG22 VAL A 63 -5.419 9.977 -5.064 1.00 74.40 H new ATOM 0 HG23 VAL A 63 -6.256 8.410 -4.950 1.00 74.40 H new ATOM 973 N ILE A 64 -9.457 9.713 -7.912 1.00 21.13 N ATOM 974 CA ILE A 64 -10.379 10.000 -9.004 1.00 45.12 C ATOM 975 C ILE A 64 -11.490 10.940 -8.553 1.00 41.34 C ATOM 976 O ILE A 64 -12.001 11.738 -9.341 1.00 43.42 O ATOM 977 CB ILE A 64 -11.008 8.710 -9.564 1.00 61.23 C ATOM 978 CG1 ILE A 64 -9.927 7.806 -10.161 1.00 50.52 C ATOM 979 CG2 ILE A 64 -12.062 9.045 -10.608 1.00 43.33 C ATOM 980 CD1 ILE A 64 -10.367 6.370 -10.332 1.00 74.21 C ATOM 0 H ILE A 64 -9.291 8.720 -7.750 1.00 21.13 H new ATOM 0 HA ILE A 64 -9.797 10.481 -9.790 1.00 45.12 H new ATOM 0 HB ILE A 64 -11.491 8.175 -8.747 1.00 61.23 H new ATOM 0 HG12 ILE A 64 -9.627 8.204 -11.131 1.00 50.52 H new ATOM 0 HG13 ILE A 64 -9.046 7.834 -9.519 1.00 50.52 H new ATOM 0 HG21 ILE A 64 -12.497 8.123 -10.994 1.00 43.33 H new ATOM 0 HG22 ILE A 64 -12.844 9.653 -10.153 1.00 43.33 H new ATOM 0 HG23 ILE A 64 -11.601 9.599 -11.426 1.00 43.33 H new ATOM 0 HD11 ILE A 64 -9.551 5.788 -10.760 1.00 74.21 H new ATOM 0 HD12 ILE A 64 -10.639 5.955 -9.362 1.00 74.21 H new ATOM 0 HD13 ILE A 64 -11.229 6.330 -10.998 1.00 74.21 H new ATOM 992 N CYS A 65 -11.859 10.844 -7.281 1.00 34.24 N ATOM 993 CA CYS A 65 -12.910 11.687 -6.723 1.00 52.11 C ATOM 994 C CYS A 65 -12.477 13.149 -6.694 1.00 64.50 C ATOM 995 O CYS A 65 -13.102 14.004 -7.322 1.00 3.20 O ATOM 996 CB CYS A 65 -13.271 11.222 -5.311 1.00 35.13 C ATOM 997 SG CYS A 65 -14.836 11.883 -4.694 1.00 10.41 S ATOM 0 H CYS A 65 -11.446 10.190 -6.616 1.00 34.24 H new ATOM 0 HA CYS A 65 -13.788 11.599 -7.362 1.00 52.11 H new ATOM 0 HB2 CYS A 65 -13.319 10.133 -5.300 1.00 35.13 H new ATOM 0 HB3 CYS A 65 -12.472 11.513 -4.629 1.00 35.13 H new ATOM 0 HG CYS A 65 -15.055 11.431 -3.495 1.00 10.41 H new ATOM 1003 N ASP A 66 -11.404 13.428 -5.963 1.00 11.12 N ATOM 1004 CA ASP A 66 -10.887 14.787 -5.852 1.00 1.40 C ATOM 1005 C ASP A 66 -10.522 15.344 -7.224 1.00 21.45 C ATOM 1006 O ASP A 66 -10.819 16.497 -7.537 1.00 40.42 O ATOM 1007 CB ASP A 66 -9.663 14.816 -4.934 1.00 54.41 C ATOM 1008 CG ASP A 66 -10.040 14.804 -3.466 1.00 5.00 C ATOM 1009 OD1 ASP A 66 -9.654 13.848 -2.761 1.00 42.23 O ATOM 1010 OD2 ASP A 66 -10.721 15.751 -3.021 1.00 40.23 O ATOM 0 H ASP A 66 -10.875 12.731 -5.438 1.00 11.12 H new ATOM 0 HA ASP A 66 -11.669 15.413 -5.423 1.00 1.40 H new ATOM 0 HB2 ASP A 66 -9.030 13.956 -5.150 1.00 54.41 H new ATOM 0 HB3 ASP A 66 -9.073 15.708 -5.147 1.00 54.41 H new ATOM 1015 N LEU A 67 -9.877 14.517 -8.039 1.00 23.04 N ATOM 1016 CA LEU A 67 -9.469 14.926 -9.379 1.00 54.21 C ATOM 1017 C LEU A 67 -10.683 15.295 -10.227 1.00 64.00 C ATOM 1018 O LEU A 67 -10.746 16.385 -10.795 1.00 15.43 O ATOM 1019 CB LEU A 67 -8.679 13.807 -10.058 1.00 32.43 C ATOM 1020 CG LEU A 67 -7.242 14.145 -10.455 1.00 73.31 C ATOM 1021 CD1 LEU A 67 -6.297 13.913 -9.286 1.00 62.43 C ATOM 1022 CD2 LEU A 67 -6.813 13.321 -11.661 1.00 55.23 C ATOM 0 H LEU A 67 -9.625 13.559 -7.796 1.00 23.04 H new ATOM 0 HA LEU A 67 -8.832 15.805 -9.286 1.00 54.21 H new ATOM 0 HB2 LEU A 67 -8.657 12.947 -9.388 1.00 32.43 H new ATOM 0 HB3 LEU A 67 -9.219 13.500 -10.953 1.00 32.43 H new ATOM 0 HG LEU A 67 -7.199 15.200 -10.727 1.00 73.31 H new ATOM 0 HD11 LEU A 67 -5.279 14.159 -9.587 1.00 62.43 H new ATOM 0 HD12 LEU A 67 -6.591 14.547 -8.449 1.00 62.43 H new ATOM 0 HD13 LEU A 67 -6.343 12.867 -8.983 1.00 62.43 H new ATOM 0 HD21 LEU A 67 -5.788 13.575 -11.929 1.00 55.23 H new ATOM 0 HD22 LEU A 67 -6.872 12.260 -11.417 1.00 55.23 H new ATOM 0 HD23 LEU A 67 -7.472 13.537 -12.502 1.00 55.23 H new ATOM 1034 N GLN A 68 -11.643 14.379 -10.308 1.00 1.24 N ATOM 1035 CA GLN A 68 -12.855 14.609 -11.086 1.00 45.53 C ATOM 1036 C GLN A 68 -13.504 15.935 -10.701 1.00 34.15 C ATOM 1037 O GLN A 68 -14.079 16.622 -11.545 1.00 21.22 O ATOM 1038 CB GLN A 68 -13.845 13.462 -10.878 1.00 4.44 C ATOM 1039 CG GLN A 68 -15.197 13.700 -11.531 1.00 41.22 C ATOM 1040 CD GLN A 68 -16.138 12.523 -11.368 1.00 15.10 C ATOM 1041 OE1 GLN A 68 -15.752 11.470 -10.860 1.00 22.41 O ATOM 1042 NE2 GLN A 68 -17.382 12.695 -11.801 1.00 61.14 N ATOM 0 H GLN A 68 -11.605 13.471 -9.845 1.00 1.24 H new ATOM 0 HA GLN A 68 -12.579 14.653 -12.139 1.00 45.53 H new ATOM 0 HB2 GLN A 68 -13.414 12.544 -11.278 1.00 4.44 H new ATOM 0 HB3 GLN A 68 -13.989 13.307 -9.809 1.00 4.44 H new ATOM 0 HG2 GLN A 68 -15.655 14.589 -11.097 1.00 41.22 H new ATOM 0 HG3 GLN A 68 -15.053 13.901 -12.593 1.00 41.22 H new ATOM 0 HE21 GLN A 68 -17.659 13.585 -12.216 1.00 61.14 H new ATOM 0 HE22 GLN A 68 -18.060 11.937 -11.719 1.00 61.14 H new ATOM 1051 N GLU A 69 -13.410 16.285 -9.423 1.00 10.23 N ATOM 1052 CA GLU A 69 -13.990 17.528 -8.927 1.00 34.44 C ATOM 1053 C GLU A 69 -13.315 18.737 -9.566 1.00 65.41 C ATOM 1054 O GLU A 69 -13.973 19.582 -10.172 1.00 51.33 O ATOM 1055 CB GLU A 69 -13.864 17.604 -7.405 1.00 11.11 C ATOM 1056 CG GLU A 69 -15.154 18.003 -6.706 1.00 30.41 C ATOM 1057 CD GLU A 69 -14.934 18.404 -5.260 1.00 74.44 C ATOM 1058 OE1 GLU A 69 -15.392 19.500 -4.874 1.00 21.13 O ATOM 1059 OE2 GLU A 69 -14.305 17.623 -4.516 1.00 54.33 O ATOM 0 H GLU A 69 -12.938 15.726 -8.712 1.00 10.23 H new ATOM 0 HA GLU A 69 -15.046 17.539 -9.197 1.00 34.44 H new ATOM 0 HB2 GLU A 69 -13.541 16.634 -7.027 1.00 11.11 H new ATOM 0 HB3 GLU A 69 -13.085 18.322 -7.149 1.00 11.11 H new ATOM 0 HG2 GLU A 69 -15.612 18.833 -7.244 1.00 30.41 H new ATOM 0 HG3 GLU A 69 -15.857 17.171 -6.745 1.00 30.41 H new ATOM 1066 N ARG A 70 -11.995 18.812 -9.425 1.00 63.04 N ATOM 1067 CA ARG A 70 -11.228 19.919 -9.987 1.00 20.20 C ATOM 1068 C ARG A 70 -11.293 19.907 -11.511 1.00 24.50 C ATOM 1069 O ARG A 70 -11.649 20.906 -12.135 1.00 54.21 O ATOM 1070 CB ARG A 70 -9.771 19.843 -9.527 1.00 31.21 C ATOM 1071 CG ARG A 70 -9.613 19.761 -8.017 1.00 42.35 C ATOM 1072 CD ARG A 70 -8.187 20.074 -7.589 1.00 32.35 C ATOM 1073 NE ARG A 70 -8.144 21.005 -6.465 1.00 60.23 N ATOM 1074 CZ ARG A 70 -8.483 20.675 -5.224 1.00 73.40 C ATOM 1075 NH1 ARG A 70 -8.887 19.443 -4.950 1.00 12.42 N ATOM 1076 NH2 ARG A 70 -8.417 21.579 -4.255 1.00 32.34 N ATOM 0 H ARG A 70 -11.435 18.120 -8.927 1.00 63.04 H new ATOM 0 HA ARG A 70 -11.667 20.851 -9.629 1.00 20.20 H new ATOM 0 HB2 ARG A 70 -9.300 18.971 -9.981 1.00 31.21 H new ATOM 0 HB3 ARG A 70 -9.237 20.720 -9.893 1.00 31.21 H new ATOM 0 HG2 ARG A 70 -10.299 20.460 -7.540 1.00 42.35 H new ATOM 0 HG3 ARG A 70 -9.886 18.763 -7.675 1.00 42.35 H new ATOM 0 HD2 ARG A 70 -7.680 19.149 -7.313 1.00 32.35 H new ATOM 0 HD3 ARG A 70 -7.641 20.498 -8.432 1.00 32.35 H new ATOM 0 HE ARG A 70 -7.837 21.961 -6.643 1.00 60.23 H new ATOM 0 HH11 ARG A 70 -8.938 18.746 -5.693 1.00 12.42 H new ATOM 0 HH12 ARG A 70 -9.147 19.192 -3.996 1.00 12.42 H new ATOM 0 HH21 ARG A 70 -8.106 22.528 -4.463 1.00 32.34 H new ATOM 0 HH22 ARG A 70 -8.677 21.325 -3.302 1.00 32.34 H new ATOM 1090 N ARG A 71 -10.945 18.769 -12.104 1.00 61.22 N ATOM 1091 CA ARG A 71 -10.962 18.627 -13.555 1.00 22.23 C ATOM 1092 C ARG A 71 -12.302 19.077 -14.129 1.00 73.15 C ATOM 1093 O ARG A 71 -12.357 19.673 -15.205 1.00 73.50 O ATOM 1094 CB ARG A 71 -10.688 17.174 -13.950 1.00 53.22 C ATOM 1095 CG ARG A 71 -9.209 16.839 -14.048 1.00 10.02 C ATOM 1096 CD ARG A 71 -8.573 16.717 -12.672 1.00 73.13 C ATOM 1097 NE ARG A 71 -7.123 16.564 -12.751 1.00 3.43 N ATOM 1098 CZ ARG A 71 -6.285 17.580 -12.932 1.00 35.22 C ATOM 1099 NH1 ARG A 71 -6.753 18.814 -13.053 1.00 44.34 N ATOM 1100 NH2 ARG A 71 -4.979 17.361 -12.993 1.00 63.10 N ATOM 0 H ARG A 71 -10.648 17.932 -11.602 1.00 61.22 H new ATOM 0 HA ARG A 71 -10.178 19.262 -13.967 1.00 22.23 H new ATOM 0 HB2 ARG A 71 -11.154 16.513 -13.219 1.00 53.22 H new ATOM 0 HB3 ARG A 71 -11.162 16.972 -14.910 1.00 53.22 H new ATOM 0 HG2 ARG A 71 -9.082 15.904 -14.593 1.00 10.02 H new ATOM 0 HG3 ARG A 71 -8.697 17.613 -14.620 1.00 10.02 H new ATOM 0 HD2 ARG A 71 -8.813 17.602 -12.082 1.00 73.13 H new ATOM 0 HD3 ARG A 71 -9.000 15.861 -12.150 1.00 73.13 H new ATOM 0 HE ARG A 71 -6.732 15.626 -12.662 1.00 3.43 H new ATOM 0 HH11 ARG A 71 -7.757 18.985 -13.007 1.00 44.34 H new ATOM 0 HH12 ARG A 71 -6.109 19.592 -13.192 1.00 44.34 H new ATOM 0 HH21 ARG A 71 -4.616 16.412 -12.901 1.00 63.10 H new ATOM 0 HH22 ARG A 71 -4.337 18.141 -13.132 1.00 63.10 H new ATOM 1114 N GLU A 72 -13.378 18.788 -13.405 1.00 70.33 N ATOM 1115 CA GLU A 72 -14.717 19.163 -13.844 1.00 71.44 C ATOM 1116 C GLU A 72 -14.904 20.676 -13.791 1.00 43.13 C ATOM 1117 O GLU A 72 -15.137 21.322 -14.812 1.00 61.35 O ATOM 1118 CB GLU A 72 -15.774 18.476 -12.977 1.00 44.41 C ATOM 1119 CG GLU A 72 -17.198 18.881 -13.317 1.00 52.41 C ATOM 1120 CD GLU A 72 -17.620 18.424 -14.700 1.00 73.02 C ATOM 1121 OE1 GLU A 72 -16.882 17.623 -15.310 1.00 34.11 O ATOM 1122 OE2 GLU A 72 -18.687 18.869 -15.171 1.00 71.30 O ATOM 0 H GLU A 72 -13.349 18.296 -12.512 1.00 70.33 H new ATOM 0 HA GLU A 72 -14.837 18.836 -14.877 1.00 71.44 H new ATOM 0 HB2 GLU A 72 -15.676 17.396 -13.088 1.00 44.41 H new ATOM 0 HB3 GLU A 72 -15.580 18.708 -11.930 1.00 44.41 H new ATOM 0 HG2 GLU A 72 -17.878 18.460 -12.576 1.00 52.41 H new ATOM 0 HG3 GLU A 72 -17.288 19.965 -13.253 1.00 52.41 H new ATOM 1129 N LYS A 73 -14.801 21.237 -12.590 1.00 21.15 N ATOM 1130 CA LYS A 73 -14.958 22.674 -12.400 1.00 64.40 C ATOM 1131 C LYS A 73 -14.010 23.450 -13.309 1.00 33.22 C ATOM 1132 O LYS A 73 -14.288 24.587 -13.687 1.00 13.40 O ATOM 1133 CB LYS A 73 -14.699 23.047 -10.939 1.00 20.14 C ATOM 1134 CG LYS A 73 -15.947 23.487 -10.193 1.00 11.21 C ATOM 1135 CD LYS A 73 -16.809 22.300 -9.799 1.00 34.22 C ATOM 1136 CE LYS A 73 -16.203 21.531 -8.635 1.00 52.01 C ATOM 1137 NZ LYS A 73 -17.190 21.310 -7.542 1.00 63.44 N ATOM 0 H LYS A 73 -14.609 20.717 -11.733 1.00 21.15 H new ATOM 0 HA LYS A 73 -15.982 22.940 -12.661 1.00 64.40 H new ATOM 0 HB2 LYS A 73 -14.262 22.190 -10.426 1.00 20.14 H new ATOM 0 HB3 LYS A 73 -13.962 23.850 -10.903 1.00 20.14 H new ATOM 0 HG2 LYS A 73 -15.661 24.042 -9.300 1.00 11.21 H new ATOM 0 HG3 LYS A 73 -16.526 24.166 -10.819 1.00 11.21 H new ATOM 0 HD2 LYS A 73 -17.806 22.648 -9.527 1.00 34.22 H new ATOM 0 HD3 LYS A 73 -16.926 21.634 -10.654 1.00 34.22 H new ATOM 0 HE2 LYS A 73 -15.832 20.569 -8.989 1.00 52.01 H new ATOM 0 HE3 LYS A 73 -15.346 22.079 -8.245 1.00 52.01 H new ATOM 0 HZ1 LYS A 73 -16.738 20.783 -6.768 1.00 63.44 H new ATOM 0 HZ2 LYS A 73 -17.525 22.228 -7.186 1.00 63.44 H new ATOM 0 HZ3 LYS A 73 -17.997 20.765 -7.908 1.00 63.44 H new ATOM 1151 N PHE A 74 -12.889 22.825 -13.659 1.00 55.43 N ATOM 1152 CA PHE A 74 -11.901 23.457 -14.524 1.00 44.55 C ATOM 1153 C PHE A 74 -12.378 23.474 -15.974 1.00 54.50 C ATOM 1154 O PHE A 74 -12.163 24.445 -16.698 1.00 23.42 O ATOM 1155 CB PHE A 74 -10.562 22.723 -14.425 1.00 42.21 C ATOM 1156 CG PHE A 74 -9.667 23.252 -13.341 1.00 62.04 C ATOM 1157 CD1 PHE A 74 -8.334 23.528 -13.597 1.00 31.20 C ATOM 1158 CD2 PHE A 74 -10.159 23.473 -12.065 1.00 51.22 C ATOM 1159 CE1 PHE A 74 -7.507 24.015 -12.602 1.00 35.14 C ATOM 1160 CE2 PHE A 74 -9.338 23.961 -11.066 1.00 2.24 C ATOM 1161 CZ PHE A 74 -8.010 24.231 -11.335 1.00 12.52 C ATOM 0 H PHE A 74 -12.644 21.882 -13.356 1.00 55.43 H new ATOM 0 HA PHE A 74 -11.769 24.487 -14.191 1.00 44.55 H new ATOM 0 HB2 PHE A 74 -10.750 21.664 -14.246 1.00 42.21 H new ATOM 0 HB3 PHE A 74 -10.044 22.798 -15.381 1.00 42.21 H new ATOM 0 HD1 PHE A 74 -7.936 23.361 -14.587 1.00 31.20 H new ATOM 0 HD2 PHE A 74 -11.196 23.262 -11.848 1.00 51.22 H new ATOM 0 HE1 PHE A 74 -6.470 24.226 -12.816 1.00 35.14 H new ATOM 0 HE2 PHE A 74 -9.734 24.131 -10.076 1.00 2.24 H new ATOM 0 HZ PHE A 74 -7.367 24.610 -10.555 1.00 12.52 H new ATOM 1171 N GLY A 75 -13.029 22.392 -16.389 1.00 62.11 N ATOM 1172 CA GLY A 75 -13.527 22.301 -17.749 1.00 44.01 C ATOM 1173 C GLY A 75 -13.103 21.019 -18.437 1.00 60.25 C ATOM 1174 O GLY A 75 -12.602 20.097 -17.794 1.00 1.21 O ATOM 0 H GLY A 75 -13.221 21.576 -15.807 1.00 62.11 H new ATOM 0 HA2 GLY A 75 -14.615 22.361 -17.739 1.00 44.01 H new ATOM 0 HA3 GLY A 75 -13.166 23.154 -18.323 1.00 44.01 H new ATOM 1178 N SER A 76 -13.306 20.959 -19.750 1.00 62.13 N ATOM 1179 CA SER A 76 -12.946 19.778 -20.526 1.00 21.03 C ATOM 1180 C SER A 76 -11.840 20.101 -21.525 1.00 63.43 C ATOM 1181 O SER A 76 -12.096 20.277 -22.717 1.00 13.04 O ATOM 1182 CB SER A 76 -14.172 19.233 -21.261 1.00 64.22 C ATOM 1183 OG SER A 76 -15.202 18.889 -20.352 1.00 11.15 O ATOM 0 H SER A 76 -13.718 21.714 -20.298 1.00 62.13 H new ATOM 0 HA SER A 76 -12.577 19.018 -19.837 1.00 21.03 H new ATOM 0 HB2 SER A 76 -14.539 19.980 -21.965 1.00 64.22 H new ATOM 0 HB3 SER A 76 -13.890 18.356 -21.844 1.00 64.22 H new ATOM 0 HG SER A 76 -15.974 18.545 -20.848 1.00 11.15 H new ATOM 1189 N SER A 77 -10.608 20.177 -21.032 1.00 22.34 N ATOM 1190 CA SER A 77 -9.462 20.482 -21.880 1.00 32.21 C ATOM 1191 C SER A 77 -8.706 19.209 -22.250 1.00 43.52 C ATOM 1192 O SER A 77 -9.019 18.123 -21.764 1.00 2.13 O ATOM 1193 CB SER A 77 -8.523 21.460 -21.172 1.00 34.10 C ATOM 1194 OG SER A 77 -7.659 20.781 -20.278 1.00 33.31 O ATOM 0 H SER A 77 -10.378 20.031 -20.049 1.00 22.34 H new ATOM 0 HA SER A 77 -9.831 20.943 -22.796 1.00 32.21 H new ATOM 0 HB2 SER A 77 -7.933 22.002 -21.911 1.00 34.10 H new ATOM 0 HB3 SER A 77 -9.108 22.200 -20.626 1.00 34.10 H new ATOM 0 HG SER A 77 -7.068 21.428 -19.839 1.00 33.31 H new ATOM 1200 N LYS A 78 -7.706 19.353 -23.113 1.00 25.00 N ATOM 1201 CA LYS A 78 -6.902 18.218 -23.549 1.00 5.12 C ATOM 1202 C LYS A 78 -6.136 17.612 -22.377 1.00 63.31 C ATOM 1203 O LYS A 78 -6.022 16.392 -22.263 1.00 62.41 O ATOM 1204 CB LYS A 78 -5.923 18.650 -24.643 1.00 4.42 C ATOM 1205 CG LYS A 78 -6.433 18.396 -26.050 1.00 21.40 C ATOM 1206 CD LYS A 78 -5.292 18.121 -27.016 1.00 35.13 C ATOM 1207 CE LYS A 78 -5.540 18.769 -28.371 1.00 13.53 C ATOM 1208 NZ LYS A 78 -4.624 18.236 -29.416 1.00 20.22 N ATOM 0 H LYS A 78 -7.433 20.246 -23.524 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.575 17.461 -23.951 1.00 5.12 H new ATOM 0 HB2 LYS A 78 -5.710 19.713 -24.529 1.00 4.42 H new ATOM 0 HB3 LYS A 78 -4.981 18.120 -24.506 1.00 4.42 H new ATOM 0 HG2 LYS A 78 -7.117 17.547 -26.042 1.00 21.40 H new ATOM 0 HG3 LYS A 78 -7.001 19.260 -26.393 1.00 21.40 H new ATOM 0 HD2 LYS A 78 -4.360 18.498 -26.596 1.00 35.13 H new ATOM 0 HD3 LYS A 78 -5.172 17.045 -27.142 1.00 35.13 H new ATOM 0 HE2 LYS A 78 -6.573 18.597 -28.672 1.00 13.53 H new ATOM 0 HE3 LYS A 78 -5.407 19.848 -28.288 1.00 13.53 H new ATOM 0 HZ1 LYS A 78 -4.824 18.702 -30.324 1.00 20.22 H new ATOM 0 HZ2 LYS A 78 -3.638 18.422 -29.141 1.00 20.22 H new ATOM 0 HZ3 LYS A 78 -4.768 17.211 -29.514 1.00 20.22 H new ATOM 1222 N GLU A 79 -5.614 18.473 -21.508 1.00 70.32 N ATOM 1223 CA GLU A 79 -4.860 18.020 -20.345 1.00 55.41 C ATOM 1224 C GLU A 79 -5.798 17.529 -19.246 1.00 21.32 C ATOM 1225 O GLU A 79 -5.581 16.468 -18.660 1.00 65.40 O ATOM 1226 CB GLU A 79 -3.979 19.152 -19.810 1.00 24.44 C ATOM 1227 CG GLU A 79 -2.857 19.548 -20.755 1.00 4.33 C ATOM 1228 CD GLU A 79 -3.238 20.702 -21.662 1.00 33.44 C ATOM 1229 OE1 GLU A 79 -2.982 21.863 -21.283 1.00 55.15 O ATOM 1230 OE2 GLU A 79 -3.792 20.442 -22.751 1.00 13.34 O ATOM 0 H GLU A 79 -5.699 19.486 -21.588 1.00 70.32 H new ATOM 0 HA GLU A 79 -4.226 17.190 -20.655 1.00 55.41 H new ATOM 0 HB2 GLU A 79 -4.602 20.024 -19.614 1.00 24.44 H new ATOM 0 HB3 GLU A 79 -3.549 18.847 -18.856 1.00 24.44 H new ATOM 0 HG2 GLU A 79 -1.977 19.823 -20.173 1.00 4.33 H new ATOM 0 HG3 GLU A 79 -2.580 18.688 -21.365 1.00 4.33 H new ATOM 1237 N ILE A 80 -6.840 18.306 -18.974 1.00 41.50 N ATOM 1238 CA ILE A 80 -7.810 17.950 -17.947 1.00 75.11 C ATOM 1239 C ILE A 80 -8.512 16.639 -18.285 1.00 73.51 C ATOM 1240 O ILE A 80 -8.772 15.816 -17.406 1.00 44.45 O ATOM 1241 CB ILE A 80 -8.869 19.054 -17.764 1.00 75.31 C ATOM 1242 CG1 ILE A 80 -8.247 20.281 -17.095 1.00 14.12 C ATOM 1243 CG2 ILE A 80 -10.042 18.534 -16.947 1.00 44.10 C ATOM 1244 CD1 ILE A 80 -7.921 20.071 -15.634 1.00 1.32 C ATOM 0 H ILE A 80 -7.034 19.187 -19.451 1.00 41.50 H new ATOM 0 HA ILE A 80 -7.255 17.833 -17.016 1.00 75.11 H new ATOM 0 HB ILE A 80 -9.239 19.348 -18.746 1.00 75.31 H new ATOM 0 HG12 ILE A 80 -7.335 20.552 -17.627 1.00 14.12 H new ATOM 0 HG13 ILE A 80 -8.933 21.123 -17.189 1.00 14.12 H new ATOM 0 HG21 ILE A 80 -10.781 19.326 -16.827 1.00 44.10 H new ATOM 0 HG22 ILE A 80 -10.497 17.688 -17.462 1.00 44.10 H new ATOM 0 HG23 ILE A 80 -9.689 18.215 -15.966 1.00 44.10 H new ATOM 0 HD11 ILE A 80 -7.483 20.981 -15.224 1.00 1.32 H new ATOM 0 HD12 ILE A 80 -8.833 19.830 -15.089 1.00 1.32 H new ATOM 0 HD13 ILE A 80 -7.211 19.250 -15.534 1.00 1.32 H new ATOM 1256 N ASP A 81 -8.816 16.451 -19.564 1.00 22.42 N ATOM 1257 CA ASP A 81 -9.486 15.238 -20.020 1.00 63.40 C ATOM 1258 C ASP A 81 -8.509 14.067 -20.080 1.00 41.41 C ATOM 1259 O ASP A 81 -8.880 12.923 -19.822 1.00 72.22 O ATOM 1260 CB ASP A 81 -10.114 15.463 -21.396 1.00 53.44 C ATOM 1261 CG ASP A 81 -11.160 14.419 -21.733 1.00 15.01 C ATOM 1262 OD1 ASP A 81 -11.000 13.726 -22.760 1.00 42.03 O ATOM 1263 OD2 ASP A 81 -12.141 14.294 -20.969 1.00 70.10 O ATOM 0 H ASP A 81 -8.609 17.122 -20.304 1.00 22.42 H new ATOM 0 HA ASP A 81 -10.272 14.997 -19.305 1.00 63.40 H new ATOM 0 HB2 ASP A 81 -10.570 16.453 -21.427 1.00 53.44 H new ATOM 0 HB3 ASP A 81 -9.332 15.448 -22.156 1.00 53.44 H new ATOM 1268 N MET A 82 -7.259 14.363 -20.422 1.00 72.32 N ATOM 1269 CA MET A 82 -6.229 13.335 -20.516 1.00 13.12 C ATOM 1270 C MET A 82 -5.808 12.859 -19.129 1.00 55.42 C ATOM 1271 O MET A 82 -5.501 11.684 -18.932 1.00 10.12 O ATOM 1272 CB MET A 82 -5.014 13.868 -21.276 1.00 2.53 C ATOM 1273 CG MET A 82 -3.855 12.885 -21.335 1.00 31.13 C ATOM 1274 SD MET A 82 -2.419 13.555 -22.195 1.00 1.10 S ATOM 1275 CE MET A 82 -1.341 12.126 -22.218 1.00 62.22 C ATOM 0 H MET A 82 -6.935 15.306 -20.638 1.00 72.32 H new ATOM 0 HA MET A 82 -6.645 12.488 -21.061 1.00 13.12 H new ATOM 0 HB2 MET A 82 -5.315 14.124 -22.292 1.00 2.53 H new ATOM 0 HB3 MET A 82 -4.675 14.789 -20.802 1.00 2.53 H new ATOM 0 HG2 MET A 82 -3.569 12.606 -20.321 1.00 31.13 H new ATOM 0 HG3 MET A 82 -4.182 11.974 -21.836 1.00 31.13 H new ATOM 0 HE1 MET A 82 -0.693 12.173 -23.093 1.00 62.22 H new ATOM 0 HE2 MET A 82 -0.731 12.116 -21.315 1.00 62.22 H new ATOM 0 HE3 MET A 82 -1.942 11.218 -22.260 1.00 62.22 H new ATOM 1285 N ALA A 83 -5.798 13.780 -18.170 1.00 22.20 N ATOM 1286 CA ALA A 83 -5.417 13.454 -16.802 1.00 41.35 C ATOM 1287 C ALA A 83 -6.496 12.626 -16.113 1.00 54.23 C ATOM 1288 O ALA A 83 -6.201 11.627 -15.457 1.00 52.14 O ATOM 1289 CB ALA A 83 -5.141 14.726 -16.014 1.00 53.32 C ATOM 0 H ALA A 83 -6.050 14.758 -18.316 1.00 22.20 H new ATOM 0 HA ALA A 83 -4.506 12.857 -16.838 1.00 41.35 H new ATOM 0 HB1 ALA A 83 -4.857 14.468 -14.994 1.00 53.32 H new ATOM 0 HB2 ALA A 83 -4.329 15.278 -16.487 1.00 53.32 H new ATOM 0 HB3 ALA A 83 -6.038 15.345 -15.996 1.00 53.32 H new ATOM 1295 N ILE A 84 -7.746 13.049 -16.267 1.00 15.35 N ATOM 1296 CA ILE A 84 -8.870 12.346 -15.660 1.00 12.21 C ATOM 1297 C ILE A 84 -9.081 10.983 -16.309 1.00 21.13 C ATOM 1298 O ILE A 84 -9.308 9.985 -15.624 1.00 65.32 O ATOM 1299 CB ILE A 84 -10.172 13.162 -15.771 1.00 25.52 C ATOM 1300 CG1 ILE A 84 -11.332 12.404 -15.121 1.00 42.25 C ATOM 1301 CG2 ILE A 84 -10.482 13.467 -17.229 1.00 13.51 C ATOM 1302 CD1 ILE A 84 -12.629 13.181 -15.110 1.00 20.01 C ATOM 0 H ILE A 84 -8.006 13.875 -16.807 1.00 15.35 H new ATOM 0 HA ILE A 84 -8.625 12.210 -14.607 1.00 12.21 H new ATOM 0 HB ILE A 84 -10.039 14.106 -15.243 1.00 25.52 H new ATOM 0 HG12 ILE A 84 -11.485 11.465 -15.652 1.00 42.25 H new ATOM 0 HG13 ILE A 84 -11.061 12.150 -14.096 1.00 42.25 H new ATOM 0 HG21 ILE A 84 -11.405 14.044 -17.292 1.00 13.51 H new ATOM 0 HG22 ILE A 84 -9.664 14.042 -17.662 1.00 13.51 H new ATOM 0 HG23 ILE A 84 -10.600 12.533 -17.779 1.00 13.51 H new ATOM 0 HD11 ILE A 84 -13.407 12.584 -14.635 1.00 20.01 H new ATOM 0 HD12 ILE A 84 -12.493 14.108 -14.554 1.00 20.01 H new ATOM 0 HD13 ILE A 84 -12.923 13.412 -16.134 1.00 20.01 H new ATOM 1314 N VAL A 85 -9.003 10.947 -17.635 1.00 72.30 N ATOM 1315 CA VAL A 85 -9.182 9.705 -18.378 1.00 74.54 C ATOM 1316 C VAL A 85 -8.050 8.724 -18.092 1.00 42.23 C ATOM 1317 O VAL A 85 -8.237 7.509 -18.147 1.00 74.21 O ATOM 1318 CB VAL A 85 -9.251 9.964 -19.895 1.00 20.42 C ATOM 1319 CG1 VAL A 85 -7.872 10.298 -20.443 1.00 62.10 C ATOM 1320 CG2 VAL A 85 -9.841 8.760 -20.614 1.00 11.10 C ATOM 0 H VAL A 85 -8.817 11.764 -18.217 1.00 72.30 H new ATOM 0 HA VAL A 85 -10.126 9.272 -18.047 1.00 74.54 H new ATOM 0 HB VAL A 85 -9.903 10.820 -20.071 1.00 20.42 H new ATOM 0 HG11 VAL A 85 -7.941 10.478 -21.516 1.00 62.10 H new ATOM 0 HG12 VAL A 85 -7.491 11.192 -19.949 1.00 62.10 H new ATOM 0 HG13 VAL A 85 -7.195 9.464 -20.257 1.00 62.10 H new ATOM 0 HG21 VAL A 85 -9.883 8.960 -21.685 1.00 11.10 H new ATOM 0 HG22 VAL A 85 -9.216 7.885 -20.432 1.00 11.10 H new ATOM 0 HG23 VAL A 85 -10.848 8.571 -20.241 1.00 11.10 H new ATOM 1330 N THR A 86 -6.873 9.261 -17.785 1.00 43.02 N ATOM 1331 CA THR A 86 -5.709 8.434 -17.489 1.00 54.24 C ATOM 1332 C THR A 86 -5.805 7.830 -16.093 1.00 24.50 C ATOM 1333 O THR A 86 -5.724 6.612 -15.927 1.00 55.23 O ATOM 1334 CB THR A 86 -4.403 9.244 -17.598 1.00 72.13 C ATOM 1335 OG1 THR A 86 -4.110 9.520 -18.972 1.00 55.13 O ATOM 1336 CG2 THR A 86 -3.244 8.486 -16.969 1.00 63.44 C ATOM 0 H THR A 86 -6.701 10.265 -17.735 1.00 43.02 H new ATOM 0 HA THR A 86 -5.693 7.633 -18.228 1.00 54.24 H new ATOM 0 HB THR A 86 -4.537 10.183 -17.061 1.00 72.13 H new ATOM 0 HG1 THR A 86 -4.564 10.345 -19.244 1.00 55.13 H new ATOM 0 HG21 THR A 86 -2.332 9.077 -17.057 1.00 63.44 H new ATOM 0 HG22 THR A 86 -3.457 8.304 -15.916 1.00 63.44 H new ATOM 0 HG23 THR A 86 -3.111 7.534 -17.482 1.00 63.44 H new ATOM 1344 N LEU A 87 -5.978 8.686 -15.093 1.00 61.34 N ATOM 1345 CA LEU A 87 -6.084 8.236 -13.710 1.00 53.23 C ATOM 1346 C LEU A 87 -7.166 7.170 -13.567 1.00 14.42 C ATOM 1347 O LEU A 87 -7.049 6.258 -12.749 1.00 33.41 O ATOM 1348 CB LEU A 87 -6.393 9.419 -12.790 1.00 32.44 C ATOM 1349 CG LEU A 87 -5.780 9.359 -11.391 1.00 22.12 C ATOM 1350 CD1 LEU A 87 -6.286 8.138 -10.638 1.00 52.10 C ATOM 1351 CD2 LEU A 87 -4.260 9.342 -11.475 1.00 74.20 C ATOM 0 H LEU A 87 -6.048 9.696 -15.214 1.00 61.34 H new ATOM 0 HA LEU A 87 -5.128 7.799 -13.421 1.00 53.23 H new ATOM 0 HB2 LEU A 87 -6.049 10.332 -13.277 1.00 32.44 H new ATOM 0 HB3 LEU A 87 -7.475 9.501 -12.688 1.00 32.44 H new ATOM 0 HG LEU A 87 -6.085 10.251 -10.844 1.00 22.12 H new ATOM 0 HD11 LEU A 87 -5.839 8.112 -9.644 1.00 52.10 H new ATOM 0 HD12 LEU A 87 -7.371 8.191 -10.546 1.00 52.10 H new ATOM 0 HD13 LEU A 87 -6.011 7.235 -11.183 1.00 52.10 H new ATOM 0 HD21 LEU A 87 -3.841 9.299 -10.470 1.00 74.20 H new ATOM 0 HD22 LEU A 87 -3.937 8.468 -12.041 1.00 74.20 H new ATOM 0 HD23 LEU A 87 -3.913 10.246 -11.975 1.00 74.20 H new ATOM 1363 N LYS A 88 -8.219 7.292 -14.368 1.00 63.10 N ATOM 1364 CA LYS A 88 -9.321 6.337 -14.335 1.00 54.42 C ATOM 1365 C LYS A 88 -8.917 5.016 -14.980 1.00 42.34 C ATOM 1366 O LYS A 88 -8.805 3.992 -14.305 1.00 70.34 O ATOM 1367 CB LYS A 88 -10.544 6.915 -15.052 1.00 3.14 C ATOM 1368 CG LYS A 88 -11.761 7.063 -14.155 1.00 52.42 C ATOM 1369 CD LYS A 88 -12.348 8.462 -14.239 1.00 35.13 C ATOM 1370 CE LYS A 88 -13.861 8.442 -14.080 1.00 70.51 C ATOM 1371 NZ LYS A 88 -14.528 9.393 -15.012 1.00 72.21 N ATOM 0 H LYS A 88 -8.333 8.043 -15.048 1.00 63.10 H new ATOM 0 HA LYS A 88 -9.574 6.148 -13.292 1.00 54.42 H new ATOM 0 HB2 LYS A 88 -10.286 7.891 -15.464 1.00 3.14 H new ATOM 0 HB3 LYS A 88 -10.799 6.271 -15.894 1.00 3.14 H new ATOM 0 HG2 LYS A 88 -12.517 6.332 -14.442 1.00 52.42 H new ATOM 0 HG3 LYS A 88 -11.483 6.845 -13.124 1.00 52.42 H new ATOM 0 HD2 LYS A 88 -11.908 9.090 -13.464 1.00 35.13 H new ATOM 0 HD3 LYS A 88 -12.088 8.910 -15.198 1.00 35.13 H new ATOM 0 HE2 LYS A 88 -14.232 7.434 -14.263 1.00 70.51 H new ATOM 0 HE3 LYS A 88 -14.122 8.697 -13.053 1.00 70.51 H new ATOM 0 HZ1 LYS A 88 -15.401 9.752 -14.576 1.00 72.21 H new ATOM 0 HZ2 LYS A 88 -13.889 10.188 -15.213 1.00 72.21 H new ATOM 0 HZ3 LYS A 88 -14.761 8.904 -15.900 1.00 72.21 H new ATOM 1385 N VAL A 89 -8.697 5.045 -16.291 1.00 43.13 N ATOM 1386 CA VAL A 89 -8.302 3.851 -17.027 1.00 31.24 C ATOM 1387 C VAL A 89 -7.113 3.164 -16.364 1.00 2.41 C ATOM 1388 O VAL A 89 -6.992 1.939 -16.396 1.00 42.12 O ATOM 1389 CB VAL A 89 -7.940 4.185 -18.486 1.00 24.34 C ATOM 1390 CG1 VAL A 89 -6.708 5.076 -18.540 1.00 74.21 C ATOM 1391 CG2 VAL A 89 -7.720 2.909 -19.285 1.00 21.45 C ATOM 0 H VAL A 89 -8.786 5.884 -16.865 1.00 43.13 H new ATOM 0 HA VAL A 89 -9.158 3.177 -17.018 1.00 31.24 H new ATOM 0 HB VAL A 89 -8.772 4.729 -18.933 1.00 24.34 H new ATOM 0 HG11 VAL A 89 -6.467 5.301 -19.579 1.00 74.21 H new ATOM 0 HG12 VAL A 89 -6.906 6.004 -18.004 1.00 74.21 H new ATOM 0 HG13 VAL A 89 -5.866 4.562 -18.076 1.00 74.21 H new ATOM 0 HG21 VAL A 89 -7.465 3.163 -20.314 1.00 21.45 H new ATOM 0 HG22 VAL A 89 -6.906 2.337 -18.840 1.00 21.45 H new ATOM 0 HG23 VAL A 89 -8.631 2.311 -19.274 1.00 21.45 H new ATOM 1401 N PHE A 90 -6.237 3.962 -15.761 1.00 32.00 N ATOM 1402 CA PHE A 90 -5.056 3.432 -15.089 1.00 33.00 C ATOM 1403 C PHE A 90 -5.444 2.678 -13.820 1.00 53.42 C ATOM 1404 O PHE A 90 -4.910 1.608 -13.533 1.00 44.33 O ATOM 1405 CB PHE A 90 -4.086 4.565 -14.747 1.00 21.41 C ATOM 1406 CG PHE A 90 -2.719 4.084 -14.351 1.00 53.11 C ATOM 1407 CD1 PHE A 90 -2.236 4.308 -13.072 1.00 0.11 C ATOM 1408 CD2 PHE A 90 -1.918 3.408 -15.257 1.00 13.42 C ATOM 1409 CE1 PHE A 90 -0.979 3.867 -12.703 1.00 71.24 C ATOM 1410 CE2 PHE A 90 -0.661 2.965 -14.894 1.00 25.21 C ATOM 1411 CZ PHE A 90 -0.190 3.195 -13.615 1.00 72.54 C ATOM 0 H PHE A 90 -6.323 4.978 -15.724 1.00 32.00 H new ATOM 0 HA PHE A 90 -4.565 2.735 -15.768 1.00 33.00 H new ATOM 0 HB2 PHE A 90 -3.994 5.227 -15.608 1.00 21.41 H new ATOM 0 HB3 PHE A 90 -4.504 5.157 -13.933 1.00 21.41 H new ATOM 0 HD1 PHE A 90 -2.849 4.833 -12.355 1.00 0.11 H new ATOM 0 HD2 PHE A 90 -2.280 3.225 -16.258 1.00 13.42 H new ATOM 0 HE1 PHE A 90 -0.615 4.048 -11.703 1.00 71.24 H new ATOM 0 HE2 PHE A 90 -0.046 2.439 -15.609 1.00 25.21 H new ATOM 0 HZ PHE A 90 0.793 2.850 -13.330 1.00 72.54 H new ATOM 1421 N ALA A 91 -6.379 3.247 -13.065 1.00 3.54 N ATOM 1422 CA ALA A 91 -6.839 2.631 -11.827 1.00 13.13 C ATOM 1423 C ALA A 91 -7.422 1.245 -12.088 1.00 53.41 C ATOM 1424 O ALA A 91 -7.171 0.303 -11.337 1.00 73.32 O ATOM 1425 CB ALA A 91 -7.871 3.519 -11.146 1.00 63.24 C ATOM 0 H ALA A 91 -6.832 4.133 -13.289 1.00 3.54 H new ATOM 0 HA ALA A 91 -5.980 2.518 -11.166 1.00 13.13 H new ATOM 0 HB1 ALA A 91 -8.205 3.046 -10.223 1.00 63.24 H new ATOM 0 HB2 ALA A 91 -7.424 4.486 -10.917 1.00 63.24 H new ATOM 0 HB3 ALA A 91 -8.723 3.661 -11.810 1.00 63.24 H new ATOM 1431 N VAL A 92 -8.204 1.129 -13.157 1.00 62.45 N ATOM 1432 CA VAL A 92 -8.823 -0.140 -13.518 1.00 24.15 C ATOM 1433 C VAL A 92 -7.830 -1.054 -14.230 1.00 51.23 C ATOM 1434 O VAL A 92 -7.771 -2.252 -13.960 1.00 31.12 O ATOM 1435 CB VAL A 92 -10.050 0.069 -14.423 1.00 55.43 C ATOM 1436 CG1 VAL A 92 -9.655 0.798 -15.699 1.00 21.31 C ATOM 1437 CG2 VAL A 92 -10.711 -1.262 -14.743 1.00 21.43 C ATOM 0 H VAL A 92 -8.424 1.900 -13.788 1.00 62.45 H new ATOM 0 HA VAL A 92 -9.144 -0.610 -12.588 1.00 24.15 H new ATOM 0 HB VAL A 92 -10.772 0.687 -13.888 1.00 55.43 H new ATOM 0 HG11 VAL A 92 -10.536 0.937 -16.326 1.00 21.31 H new ATOM 0 HG12 VAL A 92 -9.233 1.771 -15.446 1.00 21.31 H new ATOM 0 HG13 VAL A 92 -8.914 0.210 -16.240 1.00 21.31 H new ATOM 0 HG21 VAL A 92 -11.577 -1.094 -15.384 1.00 21.43 H new ATOM 0 HG22 VAL A 92 -9.999 -1.908 -15.257 1.00 21.43 H new ATOM 0 HG23 VAL A 92 -11.032 -1.741 -13.818 1.00 21.43 H new ATOM 1447 N ALA A 93 -7.052 -0.477 -15.139 1.00 44.14 N ATOM 1448 CA ALA A 93 -6.060 -1.236 -15.889 1.00 23.23 C ATOM 1449 C ALA A 93 -4.904 -1.664 -14.991 1.00 63.12 C ATOM 1450 O ALA A 93 -4.056 -2.463 -15.391 1.00 74.34 O ATOM 1451 CB ALA A 93 -5.545 -0.418 -17.064 1.00 4.34 C ATOM 0 H ALA A 93 -7.090 0.515 -15.374 1.00 44.14 H new ATOM 0 HA ALA A 93 -6.541 -2.136 -16.272 1.00 23.23 H new ATOM 0 HB1 ALA A 93 -4.805 -0.998 -17.615 1.00 4.34 H new ATOM 0 HB2 ALA A 93 -6.375 -0.168 -17.725 1.00 4.34 H new ATOM 0 HB3 ALA A 93 -5.086 0.499 -16.695 1.00 4.34 H new ATOM 1457 N GLY A 94 -4.873 -1.127 -13.776 1.00 52.44 N ATOM 1458 CA GLY A 94 -3.815 -1.463 -12.842 1.00 13.34 C ATOM 1459 C GLY A 94 -4.278 -2.426 -11.764 1.00 64.45 C ATOM 1460 O GLY A 94 -3.871 -3.588 -11.744 1.00 61.10 O ATOM 0 H GLY A 94 -5.563 -0.464 -13.421 1.00 52.44 H new ATOM 0 HA2 GLY A 94 -2.981 -1.905 -13.386 1.00 13.34 H new ATOM 0 HA3 GLY A 94 -3.443 -0.551 -12.375 1.00 13.34 H new ATOM 1464 N LEU A 95 -5.129 -1.942 -10.867 1.00 3.45 N ATOM 1465 CA LEU A 95 -5.645 -2.767 -9.780 1.00 71.24 C ATOM 1466 C LEU A 95 -6.438 -3.950 -10.326 1.00 25.44 C ATOM 1467 O LEU A 95 -6.422 -5.040 -9.751 1.00 41.42 O ATOM 1468 CB LEU A 95 -6.529 -1.930 -8.854 1.00 32.10 C ATOM 1469 CG LEU A 95 -5.828 -1.285 -7.659 1.00 43.30 C ATOM 1470 CD1 LEU A 95 -5.403 -2.344 -6.654 1.00 61.04 C ATOM 1471 CD2 LEU A 95 -4.627 -0.471 -8.121 1.00 22.34 C ATOM 0 H LEU A 95 -5.477 -0.983 -10.870 1.00 3.45 H new ATOM 0 HA LEU A 95 -4.797 -3.151 -9.213 1.00 71.24 H new ATOM 0 HB2 LEU A 95 -6.995 -1.142 -9.445 1.00 32.10 H new ATOM 0 HB3 LEU A 95 -7.332 -2.565 -8.479 1.00 32.10 H new ATOM 0 HG LEU A 95 -6.531 -0.611 -7.169 1.00 43.30 H new ATOM 0 HD11 LEU A 95 -4.906 -1.866 -5.810 1.00 61.04 H new ATOM 0 HD12 LEU A 95 -6.282 -2.883 -6.300 1.00 61.04 H new ATOM 0 HD13 LEU A 95 -4.716 -3.044 -7.131 1.00 61.04 H new ATOM 0 HD21 LEU A 95 -4.140 -0.019 -7.257 1.00 22.34 H new ATOM 0 HD22 LEU A 95 -3.921 -1.123 -8.635 1.00 22.34 H new ATOM 0 HD23 LEU A 95 -4.959 0.313 -8.802 1.00 22.34 H new ATOM 1483 N LEU A 96 -7.129 -3.731 -11.438 1.00 65.33 N ATOM 1484 CA LEU A 96 -7.926 -4.781 -12.064 1.00 14.14 C ATOM 1485 C LEU A 96 -7.193 -5.384 -13.258 1.00 64.21 C ATOM 1486 O LEU A 96 -7.690 -6.306 -13.903 1.00 13.31 O ATOM 1487 CB LEU A 96 -9.279 -4.223 -12.510 1.00 24.34 C ATOM 1488 CG LEU A 96 -10.509 -4.821 -11.828 1.00 35.34 C ATOM 1489 CD1 LEU A 96 -10.887 -4.009 -10.599 1.00 44.44 C ATOM 1490 CD2 LEU A 96 -11.677 -4.893 -12.801 1.00 33.32 C ATOM 0 H LEU A 96 -7.154 -2.836 -11.926 1.00 65.33 H new ATOM 0 HA LEU A 96 -8.089 -5.568 -11.327 1.00 14.14 H new ATOM 0 HB2 LEU A 96 -9.280 -3.147 -12.338 1.00 24.34 H new ATOM 0 HB3 LEU A 96 -9.375 -4.374 -13.585 1.00 24.34 H new ATOM 0 HG LEU A 96 -10.265 -5.834 -11.508 1.00 35.34 H new ATOM 0 HD11 LEU A 96 -11.765 -4.450 -10.127 1.00 44.44 H new ATOM 0 HD12 LEU A 96 -10.057 -4.010 -9.893 1.00 44.44 H new ATOM 0 HD13 LEU A 96 -11.111 -2.984 -10.895 1.00 44.44 H new ATOM 0 HD21 LEU A 96 -12.544 -5.321 -12.298 1.00 33.32 H new ATOM 0 HD22 LEU A 96 -11.920 -3.890 -13.152 1.00 33.32 H new ATOM 0 HD23 LEU A 96 -11.405 -5.519 -13.651 1.00 33.32 H new ATOM 1502 N ASN A 97 -6.006 -4.858 -13.544 1.00 74.43 N ATOM 1503 CA ASN A 97 -5.203 -5.345 -14.660 1.00 53.03 C ATOM 1504 C ASN A 97 -6.032 -5.410 -15.940 1.00 52.54 C ATOM 1505 O ASN A 97 -5.792 -6.250 -16.805 1.00 45.51 O ATOM 1506 CB ASN A 97 -4.633 -6.727 -14.338 1.00 24.44 C ATOM 1507 CG ASN A 97 -4.181 -6.845 -12.896 1.00 21.41 C ATOM 1508 OD1 ASN A 97 -3.225 -6.191 -12.478 1.00 22.02 O ATOM 1509 ND2 ASN A 97 -4.866 -7.683 -12.128 1.00 13.03 N ATOM 0 H ASN A 97 -5.579 -4.095 -13.019 1.00 74.43 H new ATOM 0 HA ASN A 97 -4.381 -4.647 -14.816 1.00 53.03 H new ATOM 0 HB2 ASN A 97 -5.389 -7.485 -14.542 1.00 24.44 H new ATOM 0 HB3 ASN A 97 -3.790 -6.932 -14.998 1.00 24.44 H new ATOM 0 HD21 ASN A 97 -4.607 -7.805 -11.149 1.00 13.03 H new ATOM 0 HD22 ASN A 97 -5.652 -8.205 -12.517 1.00 13.03 H new ATOM 1516 N MET A 98 -7.008 -4.514 -16.051 1.00 62.33 N ATOM 1517 CA MET A 98 -7.870 -4.468 -17.226 1.00 41.13 C ATOM 1518 C MET A 98 -7.108 -3.947 -18.440 1.00 65.40 C ATOM 1519 O MET A 98 -6.689 -2.789 -18.475 1.00 2.31 O ATOM 1520 CB MET A 98 -9.089 -3.582 -16.956 1.00 65.24 C ATOM 1521 CG MET A 98 -10.373 -4.365 -16.739 1.00 63.30 C ATOM 1522 SD MET A 98 -11.299 -4.619 -18.265 1.00 25.32 S ATOM 1523 CE MET A 98 -12.525 -5.806 -17.723 1.00 32.21 C ATOM 0 H MET A 98 -7.221 -3.812 -15.343 1.00 62.33 H new ATOM 0 HA MET A 98 -8.206 -5.483 -17.439 1.00 41.13 H new ATOM 0 HB2 MET A 98 -8.894 -2.968 -16.076 1.00 65.24 H new ATOM 0 HB3 MET A 98 -9.226 -2.901 -17.796 1.00 65.24 H new ATOM 0 HG2 MET A 98 -10.134 -5.333 -16.299 1.00 63.30 H new ATOM 0 HG3 MET A 98 -11.000 -3.835 -16.022 1.00 63.30 H new ATOM 0 HE1 MET A 98 -13.176 -6.064 -18.558 1.00 32.21 H new ATOM 0 HE2 MET A 98 -12.026 -6.705 -17.361 1.00 32.21 H new ATOM 0 HE3 MET A 98 -13.120 -5.373 -16.919 1.00 32.21 H new ATOM 1533 N THR A 99 -6.931 -4.809 -19.437 1.00 63.21 N ATOM 1534 CA THR A 99 -6.217 -4.436 -20.652 1.00 21.34 C ATOM 1535 C THR A 99 -7.161 -3.818 -21.676 1.00 54.44 C ATOM 1536 O THR A 99 -7.227 -4.260 -22.823 1.00 40.30 O ATOM 1537 CB THR A 99 -5.516 -5.653 -21.287 1.00 2.32 C ATOM 1538 OG1 THR A 99 -5.014 -6.519 -20.263 1.00 51.32 O ATOM 1539 CG2 THR A 99 -4.374 -5.209 -22.188 1.00 70.13 C ATOM 0 H THR A 99 -7.272 -5.770 -19.427 1.00 63.21 H new ATOM 0 HA THR A 99 -5.465 -3.701 -20.364 1.00 21.34 H new ATOM 0 HB THR A 99 -6.246 -6.191 -21.891 1.00 2.32 H new ATOM 0 HG1 THR A 99 -4.572 -7.290 -20.675 1.00 51.32 H new ATOM 0 HG21 THR A 99 -3.894 -6.085 -22.625 1.00 70.13 H new ATOM 0 HG22 THR A 99 -4.764 -4.574 -22.983 1.00 70.13 H new ATOM 0 HG23 THR A 99 -3.645 -4.650 -21.602 1.00 70.13 H new ATOM 1547 N VAL A 100 -7.892 -2.790 -21.255 1.00 14.54 N ATOM 1548 CA VAL A 100 -8.832 -2.108 -22.136 1.00 71.51 C ATOM 1549 C VAL A 100 -8.164 -1.703 -23.445 1.00 43.55 C ATOM 1550 O VAL A 100 -6.943 -1.784 -23.581 1.00 42.53 O ATOM 1551 CB VAL A 100 -9.424 -0.854 -21.464 1.00 2.22 C ATOM 1552 CG1 VAL A 100 -10.448 -1.246 -20.409 1.00 24.34 C ATOM 1553 CG2 VAL A 100 -8.318 -0.005 -20.857 1.00 4.53 C ATOM 0 H VAL A 100 -7.851 -2.412 -20.309 1.00 14.54 H new ATOM 0 HA VAL A 100 -9.637 -2.812 -22.345 1.00 71.51 H new ATOM 0 HB VAL A 100 -9.932 -0.260 -22.224 1.00 2.22 H new ATOM 0 HG11 VAL A 100 -10.855 -0.347 -19.945 1.00 24.34 H new ATOM 0 HG12 VAL A 100 -11.255 -1.810 -20.877 1.00 24.34 H new ATOM 0 HG13 VAL A 100 -9.969 -1.862 -19.648 1.00 24.34 H new ATOM 0 HG21 VAL A 100 -8.753 0.877 -20.386 1.00 4.53 H new ATOM 0 HG22 VAL A 100 -7.781 -0.588 -20.109 1.00 4.53 H new ATOM 0 HG23 VAL A 100 -7.626 0.306 -21.640 1.00 4.53 H new ATOM 1563 N SER A 101 -8.971 -1.264 -24.405 1.00 12.15 N ATOM 1564 CA SER A 101 -8.458 -0.848 -25.704 1.00 73.42 C ATOM 1565 C SER A 101 -8.107 0.636 -25.700 1.00 62.24 C ATOM 1566 O SER A 101 -7.103 1.051 -26.280 1.00 63.55 O ATOM 1567 CB SER A 101 -9.488 -1.137 -26.799 1.00 42.42 C ATOM 1568 OG SER A 101 -10.370 -2.175 -26.409 1.00 13.44 O ATOM 0 H SER A 101 -9.983 -1.187 -24.307 1.00 12.15 H new ATOM 0 HA SER A 101 -7.551 -1.417 -25.908 1.00 73.42 H new ATOM 0 HB2 SER A 101 -10.058 -0.233 -27.014 1.00 42.42 H new ATOM 0 HB3 SER A 101 -8.976 -1.417 -27.719 1.00 42.42 H new ATOM 0 HG SER A 101 -11.019 -2.339 -27.125 1.00 13.44 H new ATOM 1574 N THR A 102 -8.940 1.434 -25.040 1.00 33.13 N ATOM 1575 CA THR A 102 -8.720 2.873 -24.960 1.00 31.54 C ATOM 1576 C THR A 102 -9.099 3.410 -23.584 1.00 63.44 C ATOM 1577 O THR A 102 -9.876 2.793 -22.858 1.00 23.35 O ATOM 1578 CB THR A 102 -9.528 3.626 -26.033 1.00 32.24 C ATOM 1579 OG1 THR A 102 -10.914 3.652 -25.674 1.00 52.04 O ATOM 1580 CG2 THR A 102 -9.366 2.967 -27.394 1.00 24.50 C ATOM 0 H THR A 102 -9.774 1.108 -24.552 1.00 33.13 H new ATOM 0 HA THR A 102 -7.657 3.041 -25.133 1.00 31.54 H new ATOM 0 HB THR A 102 -9.148 4.646 -26.092 1.00 32.24 H new ATOM 0 HG1 THR A 102 -11.421 4.134 -26.360 1.00 52.04 H new ATOM 0 HG21 THR A 102 -9.946 3.516 -28.136 1.00 24.50 H new ATOM 0 HG22 THR A 102 -8.314 2.974 -27.678 1.00 24.50 H new ATOM 0 HG23 THR A 102 -9.722 1.938 -27.345 1.00 24.50 H new ATOM 1588 N ALA A 103 -8.544 4.566 -23.234 1.00 60.32 N ATOM 1589 CA ALA A 103 -8.826 5.190 -21.947 1.00 22.23 C ATOM 1590 C ALA A 103 -10.303 5.545 -21.821 1.00 52.13 C ATOM 1591 O ALA A 103 -10.874 5.493 -20.731 1.00 64.35 O ATOM 1592 CB ALA A 103 -7.964 6.430 -21.760 1.00 32.54 C ATOM 0 H ALA A 103 -7.897 5.089 -23.824 1.00 60.32 H new ATOM 0 HA ALA A 103 -8.584 4.473 -21.163 1.00 22.23 H new ATOM 0 HB1 ALA A 103 -8.186 6.885 -20.795 1.00 32.54 H new ATOM 0 HB2 ALA A 103 -6.911 6.150 -21.796 1.00 32.54 H new ATOM 0 HB3 ALA A 103 -8.177 7.144 -22.555 1.00 32.54 H new ATOM 1598 N ALA A 104 -10.917 5.908 -22.942 1.00 73.24 N ATOM 1599 CA ALA A 104 -12.328 6.273 -22.957 1.00 33.34 C ATOM 1600 C ALA A 104 -13.207 5.077 -22.606 1.00 32.12 C ATOM 1601 O ALA A 104 -14.145 5.194 -21.818 1.00 33.53 O ATOM 1602 CB ALA A 104 -12.715 6.833 -24.317 1.00 23.51 C ATOM 0 H ALA A 104 -10.459 5.957 -23.852 1.00 73.24 H new ATOM 0 HA ALA A 104 -12.487 7.043 -22.202 1.00 33.34 H new ATOM 0 HB1 ALA A 104 -13.772 7.101 -24.313 1.00 23.51 H new ATOM 0 HB2 ALA A 104 -12.117 7.719 -24.529 1.00 23.51 H new ATOM 0 HB3 ALA A 104 -12.535 6.081 -25.085 1.00 23.51 H new ATOM 1608 N ALA A 105 -12.897 3.927 -23.196 1.00 31.22 N ATOM 1609 CA ALA A 105 -13.659 2.710 -22.945 1.00 63.41 C ATOM 1610 C ALA A 105 -13.586 2.310 -21.475 1.00 25.52 C ATOM 1611 O ALA A 105 -14.606 2.037 -20.844 1.00 53.34 O ATOM 1612 CB ALA A 105 -13.152 1.578 -23.827 1.00 42.11 C ATOM 0 H ALA A 105 -12.123 3.813 -23.851 1.00 31.22 H new ATOM 0 HA ALA A 105 -14.703 2.908 -23.190 1.00 63.41 H new ATOM 0 HB1 ALA A 105 -13.730 0.675 -23.629 1.00 42.11 H new ATOM 0 HB2 ALA A 105 -13.262 1.856 -24.875 1.00 42.11 H new ATOM 0 HB3 ALA A 105 -12.101 1.390 -23.610 1.00 42.11 H new ATOM 1618 N ALA A 106 -12.371 2.276 -20.936 1.00 71.00 N ATOM 1619 CA ALA A 106 -12.165 1.911 -19.540 1.00 3.11 C ATOM 1620 C ALA A 106 -12.758 2.959 -18.605 1.00 51.40 C ATOM 1621 O ALA A 106 -13.522 2.633 -17.698 1.00 2.44 O ATOM 1622 CB ALA A 106 -10.681 1.726 -19.256 1.00 71.32 C ATOM 0 H ALA A 106 -11.515 2.497 -21.445 1.00 71.00 H new ATOM 0 HA ALA A 106 -12.679 0.967 -19.357 1.00 3.11 H new ATOM 0 HB1 ALA A 106 -10.542 1.454 -18.210 1.00 71.32 H new ATOM 0 HB2 ALA A 106 -10.285 0.935 -19.893 1.00 71.32 H new ATOM 0 HB3 ALA A 106 -10.152 2.657 -19.462 1.00 71.32 H new ATOM 1628 N GLU A 107 -12.400 4.219 -18.833 1.00 53.32 N ATOM 1629 CA GLU A 107 -12.897 5.315 -18.008 1.00 64.13 C ATOM 1630 C GLU A 107 -14.422 5.363 -18.030 1.00 42.45 C ATOM 1631 O GLU A 107 -15.058 5.653 -17.017 1.00 72.42 O ATOM 1632 CB GLU A 107 -12.326 6.648 -18.495 1.00 73.24 C ATOM 1633 CG GLU A 107 -12.838 7.849 -17.718 1.00 44.13 C ATOM 1634 CD GLU A 107 -13.685 8.777 -18.567 1.00 32.44 C ATOM 1635 OE1 GLU A 107 -14.620 8.282 -19.232 1.00 44.43 O ATOM 1636 OE2 GLU A 107 -13.413 9.995 -18.568 1.00 15.50 O ATOM 0 H GLU A 107 -11.769 4.506 -19.581 1.00 53.32 H new ATOM 0 HA GLU A 107 -12.571 5.142 -16.982 1.00 64.13 H new ATOM 0 HB2 GLU A 107 -11.239 6.616 -18.423 1.00 73.24 H new ATOM 0 HB3 GLU A 107 -12.572 6.776 -19.549 1.00 73.24 H new ATOM 0 HG2 GLU A 107 -13.426 7.503 -16.868 1.00 44.13 H new ATOM 0 HG3 GLU A 107 -11.991 8.404 -17.315 1.00 44.13 H new ATOM 1643 N ASN A 108 -15.001 5.078 -19.192 1.00 12.54 N ATOM 1644 CA ASN A 108 -16.452 5.090 -19.346 1.00 5.13 C ATOM 1645 C ASN A 108 -17.105 4.065 -18.424 1.00 62.13 C ATOM 1646 O ASN A 108 -17.982 4.401 -17.628 1.00 61.32 O ATOM 1647 CB ASN A 108 -16.833 4.801 -20.799 1.00 43.21 C ATOM 1648 CG ASN A 108 -18.306 4.479 -20.957 1.00 13.13 C ATOM 1649 OD1 ASN A 108 -19.141 5.377 -21.071 1.00 23.31 O ATOM 1650 ND2 ASN A 108 -18.632 3.192 -20.965 1.00 4.23 N ATOM 0 H ASN A 108 -14.489 4.836 -20.040 1.00 12.54 H new ATOM 0 HA ASN A 108 -16.814 6.081 -19.072 1.00 5.13 H new ATOM 0 HB2 ASN A 108 -16.585 5.665 -21.416 1.00 43.21 H new ATOM 0 HB3 ASN A 108 -16.239 3.965 -21.168 1.00 43.21 H new ATOM 0 HD21 ASN A 108 -19.608 2.914 -21.069 1.00 4.23 H new ATOM 0 HD22 ASN A 108 -17.907 2.482 -20.868 1.00 4.23 H new ATOM 1657 N MET A 109 -16.671 2.814 -18.537 1.00 50.42 N ATOM 1658 CA MET A 109 -17.214 1.740 -17.713 1.00 4.53 C ATOM 1659 C MET A 109 -16.844 1.942 -16.246 1.00 23.11 C ATOM 1660 O MET A 109 -17.512 1.423 -15.351 1.00 43.34 O ATOM 1661 CB MET A 109 -16.697 0.384 -18.198 1.00 42.05 C ATOM 1662 CG MET A 109 -15.189 0.234 -18.089 1.00 64.04 C ATOM 1663 SD MET A 109 -14.675 -1.480 -17.874 1.00 4.54 S ATOM 1664 CE MET A 109 -14.243 -1.488 -16.135 1.00 72.13 C ATOM 0 H MET A 109 -15.946 2.519 -19.190 1.00 50.42 H new ATOM 0 HA MET A 109 -18.300 1.760 -17.803 1.00 4.53 H new ATOM 0 HB2 MET A 109 -17.175 -0.406 -17.619 1.00 42.05 H new ATOM 0 HB3 MET A 109 -16.994 0.242 -19.237 1.00 42.05 H new ATOM 0 HG2 MET A 109 -14.722 0.639 -18.986 1.00 64.04 H new ATOM 0 HG3 MET A 109 -14.829 0.825 -17.247 1.00 64.04 H new ATOM 0 HE1 MET A 109 -13.604 -2.345 -15.923 1.00 72.13 H new ATOM 0 HE2 MET A 109 -13.712 -0.569 -15.888 1.00 72.13 H new ATOM 0 HE3 MET A 109 -15.151 -1.555 -15.535 1.00 72.13 H new ATOM 1674 N TYR A 110 -15.778 2.697 -16.008 1.00 11.12 N ATOM 1675 CA TYR A 110 -15.319 2.965 -14.649 1.00 62.14 C ATOM 1676 C TYR A 110 -16.343 3.793 -13.881 1.00 40.14 C ATOM 1677 O TYR A 110 -16.711 3.459 -12.755 1.00 45.22 O ATOM 1678 CB TYR A 110 -13.974 3.694 -14.677 1.00 73.51 C ATOM 1679 CG TYR A 110 -13.245 3.671 -13.354 1.00 43.41 C ATOM 1680 CD1 TYR A 110 -12.041 2.992 -13.212 1.00 62.43 C ATOM 1681 CD2 TYR A 110 -13.761 4.327 -12.243 1.00 43.33 C ATOM 1682 CE1 TYR A 110 -11.372 2.968 -12.004 1.00 24.21 C ATOM 1683 CE2 TYR A 110 -13.097 4.310 -11.031 1.00 54.33 C ATOM 1684 CZ TYR A 110 -11.903 3.629 -10.917 1.00 31.43 C ATOM 1685 OH TYR A 110 -11.241 3.608 -9.711 1.00 23.34 O ATOM 0 H TYR A 110 -15.215 3.135 -16.737 1.00 11.12 H new ATOM 0 HA TYR A 110 -15.196 2.009 -14.139 1.00 62.14 H new ATOM 0 HB2 TYR A 110 -13.340 3.240 -15.439 1.00 73.51 H new ATOM 0 HB3 TYR A 110 -14.138 4.730 -14.974 1.00 73.51 H new ATOM 0 HD1 TYR A 110 -11.621 2.474 -14.061 1.00 62.43 H new ATOM 0 HD2 TYR A 110 -14.697 4.859 -12.328 1.00 43.33 H new ATOM 0 HE1 TYR A 110 -10.438 2.434 -11.911 1.00 24.21 H new ATOM 0 HE2 TYR A 110 -13.511 4.827 -10.178 1.00 54.33 H new ATOM 0 HH TYR A 110 -11.749 4.123 -9.050 1.00 23.34 H new ATOM 1695 N SER A 111 -16.802 4.877 -14.499 1.00 42.14 N ATOM 1696 CA SER A 111 -17.782 5.758 -13.874 1.00 4.13 C ATOM 1697 C SER A 111 -19.201 5.270 -14.147 1.00 54.33 C ATOM 1698 O SER A 111 -20.117 5.525 -13.365 1.00 4.30 O ATOM 1699 CB SER A 111 -17.615 7.189 -14.388 1.00 24.12 C ATOM 1700 OG SER A 111 -17.455 8.101 -13.314 1.00 14.14 O ATOM 0 H SER A 111 -16.511 5.166 -15.433 1.00 42.14 H new ATOM 0 HA SER A 111 -17.612 5.745 -12.797 1.00 4.13 H new ATOM 0 HB2 SER A 111 -16.749 7.243 -15.047 1.00 24.12 H new ATOM 0 HB3 SER A 111 -18.485 7.470 -14.981 1.00 24.12 H new ATOM 0 HG SER A 111 -17.348 9.008 -13.668 1.00 14.14 H new ATOM 1706 N GLN A 112 -19.375 4.568 -15.262 1.00 40.12 N ATOM 1707 CA GLN A 112 -20.683 4.045 -15.639 1.00 4.41 C ATOM 1708 C GLN A 112 -21.207 3.077 -14.583 1.00 50.42 C ATOM 1709 O GLN A 112 -22.357 3.173 -14.156 1.00 33.23 O ATOM 1710 CB GLN A 112 -20.604 3.343 -16.996 1.00 44.54 C ATOM 1711 CG GLN A 112 -21.936 2.786 -17.471 1.00 60.14 C ATOM 1712 CD GLN A 112 -22.133 2.942 -18.967 1.00 40.15 C ATOM 1713 OE1 GLN A 112 -22.052 4.047 -19.503 1.00 73.32 O ATOM 1714 NE2 GLN A 112 -22.393 1.833 -19.649 1.00 24.14 N ATOM 0 H GLN A 112 -18.627 4.348 -15.920 1.00 40.12 H new ATOM 0 HA GLN A 112 -21.374 4.885 -15.712 1.00 4.41 H new ATOM 0 HB2 GLN A 112 -20.228 4.047 -17.739 1.00 44.54 H new ATOM 0 HB3 GLN A 112 -19.881 2.530 -16.933 1.00 44.54 H new ATOM 0 HG2 GLN A 112 -21.999 1.730 -17.208 1.00 60.14 H new ATOM 0 HG3 GLN A 112 -22.746 3.294 -16.947 1.00 60.14 H new ATOM 0 HE21 GLN A 112 -22.451 0.938 -19.164 1.00 24.14 H new ATOM 0 HE22 GLN A 112 -22.535 1.876 -20.658 1.00 24.14 H new ATOM 1723 N MET A 113 -20.356 2.146 -14.167 1.00 42.31 N ATOM 1724 CA MET A 113 -20.734 1.161 -13.159 1.00 72.50 C ATOM 1725 C MET A 113 -20.390 1.657 -11.758 1.00 32.23 C ATOM 1726 O MET A 113 -20.397 0.887 -10.799 1.00 53.42 O ATOM 1727 CB MET A 113 -20.030 -0.171 -13.429 1.00 53.40 C ATOM 1728 CG MET A 113 -18.558 -0.167 -13.051 1.00 22.23 C ATOM 1729 SD MET A 113 -17.596 -1.363 -13.998 1.00 71.32 S ATOM 1730 CE MET A 113 -16.367 -1.844 -12.787 1.00 42.01 C ATOM 0 H MET A 113 -19.400 2.052 -14.511 1.00 42.31 H new ATOM 0 HA MET A 113 -21.812 1.013 -13.217 1.00 72.50 H new ATOM 0 HB2 MET A 113 -20.537 -0.960 -12.874 1.00 53.40 H new ATOM 0 HB3 MET A 113 -20.124 -0.415 -14.487 1.00 53.40 H new ATOM 0 HG2 MET A 113 -18.149 0.831 -13.210 1.00 22.23 H new ATOM 0 HG3 MET A 113 -18.459 -0.387 -11.988 1.00 22.23 H new ATOM 0 HE1 MET A 113 -15.695 -2.582 -13.224 1.00 42.01 H new ATOM 0 HE2 MET A 113 -15.795 -0.968 -12.482 1.00 42.01 H new ATOM 0 HE3 MET A 113 -16.863 -2.275 -11.917 1.00 42.01 H new ATOM 1740 N GLY A 114 -20.090 2.948 -11.649 1.00 12.55 N ATOM 1741 CA GLY A 114 -19.748 3.523 -10.361 1.00 73.41 C ATOM 1742 C GLY A 114 -18.659 2.745 -9.650 1.00 21.02 C ATOM 1743 O GLY A 114 -18.610 2.714 -8.419 1.00 33.20 O ATOM 0 H GLY A 114 -20.078 3.605 -12.429 1.00 12.55 H new ATOM 0 HA2 GLY A 114 -19.421 4.553 -10.502 1.00 73.41 H new ATOM 0 HA3 GLY A 114 -20.638 3.554 -9.732 1.00 73.41 H new