USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 551 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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 70 SER OG : rot -170:sc= 0.00461 USER MOD Set 2.1: A 43 ASN : amide:sc= -4.12 K(o=-3.8,f=-5.6!) USER MOD Set 2.2: A 48 THR OG1 : rot 101:sc= 0.153 USER MOD Set 2.3: A 50 THR OG1 : rot 125:sc= 0.158 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.657 K(o=1.9,f=-4.3!) USER MOD Set 3.2: A 33 TYR OH : rot -113:sc= 1.24 USER MOD Set 4.1: A 2 SER OG : rot 65:sc= -0.0197 USER MOD Set 4.2: A 49 ASN : amide:sc= -1.82 K(o=-7.2,f=-12!) USER MOD Set 4.3: A 51 HIS : no HD1:sc= -5.32! C(o=-7.2!,f=-9.2!) USER MOD Single : A 1 ASP N :NH3+ -161:sc= 0.0322 (180deg=-0.947) USER MOD Single : A 4 MET CE :methyl -149:sc= -0.672 (180deg=-2.81!) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0138 (180deg=-0.291) USER MOD Single : A 8 TYR OH : rot -65:sc= -6.54! USER MOD Single : A 16 TYR OH : rot 176:sc= -1.42! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -43:sc= 1.36 USER MOD Single : A 34 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.55) USER MOD Single : A 35 ASN : amide:sc= -6.71! C(o=-6.7!,f=-20!) USER MOD Single : A 38 MET CE :methyl -141:sc= -0.294 (180deg=-1.51!) USER MOD Single : A 41 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-5.6!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 54 SER OG : rot -150:sc=-0.00213 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 0.14 (180deg=0) USER MOD Single : A 61 SER OG : rot -65:sc= 0.618 USER MOD Single : A 62 SER OG : rot -23:sc= 0.211 USER MOD Single : A 63 THR OG1 : rot 53:sc= 0.185 USER MOD Single : A 71 MET CE :methyl 150:sc= -0.264 (180deg=-1.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.654 -11.924 7.929 1.00 0.00 N ATOM 2 CA ASP A 1 -14.178 -11.806 8.089 1.00 0.00 C ATOM 3 C ASP A 1 -13.764 -10.340 7.948 1.00 0.00 C ATOM 4 O ASP A 1 -14.590 -9.466 7.770 1.00 0.00 O ATOM 5 CB ASP A 1 -13.478 -12.637 7.011 1.00 0.00 C ATOM 6 CG ASP A 1 -13.888 -14.104 7.154 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.423 -14.451 8.193 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.659 -14.856 6.220 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.976 -12.827 8.332 1.00 0.00 H new ATOM 0 H2 ASP A 1 -16.121 -11.138 8.424 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.897 -11.890 6.918 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.891 -12.172 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.746 -12.268 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.397 -12.539 7.106 1.00 0.00 H new ATOM 15 N SER A 2 -12.491 -10.064 8.025 1.00 0.00 N ATOM 16 CA SER A 2 -12.027 -8.654 7.894 1.00 0.00 C ATOM 17 C SER A 2 -12.539 -8.073 6.577 1.00 0.00 C ATOM 18 O SER A 2 -12.856 -6.904 6.482 1.00 0.00 O ATOM 19 CB SER A 2 -10.498 -8.617 7.903 1.00 0.00 C ATOM 20 OG SER A 2 -10.030 -8.670 9.244 1.00 0.00 O ATOM 0 H SER A 2 -11.753 -10.753 8.173 1.00 0.00 H new ATOM 0 HA SER A 2 -12.410 -8.066 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.100 -9.457 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.143 -7.708 7.418 1.00 0.00 H new ATOM 0 HG SER A 2 -10.265 -9.536 9.639 1.00 0.00 H new ATOM 26 N GLU A 3 -12.623 -8.883 5.559 1.00 0.00 N ATOM 27 CA GLU A 3 -13.116 -8.382 4.247 1.00 0.00 C ATOM 28 C GLU A 3 -14.470 -7.707 4.446 1.00 0.00 C ATOM 29 O GLU A 3 -14.857 -6.834 3.694 1.00 0.00 O ATOM 30 CB GLU A 3 -13.259 -9.555 3.275 1.00 0.00 C ATOM 31 CG GLU A 3 -12.038 -9.601 2.354 1.00 0.00 C ATOM 32 CD GLU A 3 -12.138 -10.822 1.437 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.247 -11.267 1.194 1.00 0.00 O ATOM 34 OE2 GLU A 3 -11.102 -11.290 0.994 1.00 0.00 O ATOM 0 H GLU A 3 -12.371 -9.871 5.579 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.408 -7.662 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.348 -10.491 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.169 -9.445 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.983 -8.689 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.124 -9.651 2.946 1.00 0.00 H new ATOM 41 N MET A 4 -15.191 -8.096 5.460 1.00 0.00 N ATOM 42 CA MET A 4 -16.516 -7.466 5.714 1.00 0.00 C ATOM 43 C MET A 4 -16.295 -6.061 6.270 1.00 0.00 C ATOM 44 O MET A 4 -17.133 -5.190 6.146 1.00 0.00 O ATOM 45 CB MET A 4 -17.297 -8.300 6.731 1.00 0.00 C ATOM 46 CG MET A 4 -17.396 -9.743 6.235 1.00 0.00 C ATOM 47 SD MET A 4 -18.536 -9.823 4.831 1.00 0.00 S ATOM 48 CE MET A 4 -19.962 -9.070 5.650 1.00 0.00 C ATOM 0 H MET A 4 -14.920 -8.822 6.123 1.00 0.00 H new ATOM 0 HA MET A 4 -17.083 -7.414 4.785 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.800 -8.270 7.701 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.294 -7.883 6.871 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.412 -10.105 5.939 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.746 -10.392 7.038 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.881 -9.483 5.234 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.921 -9.281 6.719 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.945 -7.992 5.492 1.00 0.00 H new ATOM 58 N CYS A 5 -15.164 -5.836 6.878 1.00 0.00 N ATOM 59 CA CYS A 5 -14.873 -4.489 7.441 1.00 0.00 C ATOM 60 C CYS A 5 -14.368 -3.577 6.322 1.00 0.00 C ATOM 61 O CYS A 5 -14.321 -2.371 6.460 1.00 0.00 O ATOM 62 CB CYS A 5 -13.800 -4.613 8.524 1.00 0.00 C ATOM 63 SG CYS A 5 -14.256 -5.923 9.678 1.00 0.00 S ATOM 0 H CYS A 5 -14.427 -6.529 7.009 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.779 -4.067 7.876 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.834 -4.834 8.070 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.694 -3.667 9.055 1.00 0.00 H new ATOM 68 N LYS A 6 -13.985 -4.146 5.211 1.00 0.00 N ATOM 69 CA LYS A 6 -13.482 -3.316 4.083 1.00 0.00 C ATOM 70 C LYS A 6 -14.662 -2.728 3.306 1.00 0.00 C ATOM 71 O LYS A 6 -14.487 -2.106 2.276 1.00 0.00 O ATOM 72 CB LYS A 6 -12.648 -4.188 3.142 1.00 0.00 C ATOM 73 CG LYS A 6 -11.598 -4.953 3.948 1.00 0.00 C ATOM 74 CD LYS A 6 -10.531 -5.502 2.998 1.00 0.00 C ATOM 75 CE LYS A 6 -9.415 -6.158 3.812 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.615 -5.103 4.497 1.00 0.00 N ATOM 0 H LYS A 6 -13.999 -5.151 5.037 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.868 -2.507 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.293 -4.887 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.162 -3.567 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.140 -4.295 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.068 -5.770 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.974 -6.228 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.125 -4.697 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.840 -6.842 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.773 -6.750 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.693 -5.494 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.470 -4.302 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.124 -4.776 5.343 1.00 0.00 H new ATOM 90 N ASP A 7 -15.863 -2.925 3.777 1.00 0.00 N ATOM 91 CA ASP A 7 -17.041 -2.380 3.041 1.00 0.00 C ATOM 92 C ASP A 7 -18.025 -1.731 4.018 1.00 0.00 C ATOM 93 O ASP A 7 -19.143 -1.418 3.660 1.00 0.00 O ATOM 94 CB ASP A 7 -17.741 -3.519 2.296 1.00 0.00 C ATOM 95 CG ASP A 7 -16.842 -4.014 1.162 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.889 -3.322 0.841 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.121 -5.078 0.633 1.00 0.00 O ATOM 0 H ASP A 7 -16.080 -3.436 4.633 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.699 -1.626 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.961 -4.336 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.694 -3.174 1.895 1.00 0.00 H new ATOM 102 N TYR A 8 -17.631 -1.520 5.244 1.00 0.00 N ATOM 103 CA TYR A 8 -18.568 -0.886 6.214 1.00 0.00 C ATOM 104 C TYR A 8 -17.929 0.384 6.791 1.00 0.00 C ATOM 105 O TYR A 8 -16.722 0.527 6.816 1.00 0.00 O ATOM 106 CB TYR A 8 -18.909 -1.885 7.338 1.00 0.00 C ATOM 107 CG TYR A 8 -17.954 -1.734 8.503 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.582 -1.928 8.314 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.445 -1.395 9.770 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.699 -1.785 9.391 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.563 -1.252 10.848 1.00 0.00 C ATOM 112 CZ TYR A 8 -16.189 -1.447 10.658 1.00 0.00 C ATOM 113 OH TYR A 8 -15.319 -1.307 11.721 1.00 0.00 O ATOM 0 H TYR A 8 -16.710 -1.756 5.613 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.492 -0.611 5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -19.932 -1.721 7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.860 -2.903 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.203 -2.188 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.504 -1.244 9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.640 -1.935 9.244 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.942 -0.992 11.825 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.904 -2.172 11.920 1.00 0.00 H new ATOM 123 N ARG A 9 -18.731 1.301 7.256 1.00 0.00 N ATOM 124 CA ARG A 9 -18.176 2.556 7.834 1.00 0.00 C ATOM 125 C ARG A 9 -18.890 2.860 9.152 1.00 0.00 C ATOM 126 O ARG A 9 -20.100 2.801 9.240 1.00 0.00 O ATOM 127 CB ARG A 9 -18.389 3.710 6.851 1.00 0.00 C ATOM 128 CG ARG A 9 -17.354 3.617 5.729 1.00 0.00 C ATOM 129 CD ARG A 9 -17.448 4.859 4.841 1.00 0.00 C ATOM 130 NE ARG A 9 -16.811 4.575 3.524 1.00 0.00 N ATOM 131 CZ ARG A 9 -17.477 3.937 2.601 1.00 0.00 C ATOM 132 NH1 ARG A 9 -17.412 2.635 2.534 1.00 0.00 N ATOM 133 NH2 ARG A 9 -18.205 4.599 1.744 1.00 0.00 N ATOM 0 H ARG A 9 -19.749 1.235 7.261 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.108 2.436 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.396 3.668 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.297 4.665 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.352 3.534 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.526 2.719 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.492 5.140 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.953 5.702 5.323 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.854 4.879 3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.841 2.118 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.932 2.135 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.254 5.617 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.725 4.099 1.023 1.00 0.00 H new ATOM 147 N VAL A 10 -18.152 3.176 10.181 1.00 0.00 N ATOM 148 CA VAL A 10 -18.793 3.472 11.493 1.00 0.00 C ATOM 149 C VAL A 10 -18.342 4.845 11.994 1.00 0.00 C ATOM 150 O VAL A 10 -17.231 5.273 11.751 1.00 0.00 O ATOM 151 CB VAL A 10 -18.384 2.401 12.507 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.821 2.831 13.909 1.00 0.00 C ATOM 153 CG2 VAL A 10 -19.056 1.075 12.147 1.00 0.00 C ATOM 0 H VAL A 10 -17.134 3.242 10.170 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.876 3.473 11.373 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.301 2.277 12.487 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.530 2.068 14.631 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.342 3.776 14.166 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.904 2.956 13.930 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.765 0.312 12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.139 1.199 12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.744 0.768 11.149 1.00 0.00 H new ATOM 163 N LEU A 11 -19.197 5.538 12.697 1.00 0.00 N ATOM 164 CA LEU A 11 -18.822 6.881 13.220 1.00 0.00 C ATOM 165 C LEU A 11 -18.994 6.895 14.741 1.00 0.00 C ATOM 166 O LEU A 11 -19.469 5.943 15.326 1.00 0.00 O ATOM 167 CB LEU A 11 -19.726 7.944 12.592 1.00 0.00 C ATOM 168 CG LEU A 11 -18.901 8.810 11.637 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.581 8.011 10.372 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.699 10.061 11.262 1.00 0.00 C ATOM 0 H LEU A 11 -20.141 5.230 12.931 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.784 7.096 12.968 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.546 7.469 12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.172 8.564 13.370 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.972 9.105 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.993 8.627 9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.012 7.120 10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.510 7.715 9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.111 10.677 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.628 9.767 10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.927 10.631 12.163 1.00 0.00 H new ATOM 182 N PRO A 12 -18.600 8.000 15.391 1.00 0.00 N ATOM 183 CA PRO A 12 -18.712 8.142 16.849 1.00 0.00 C ATOM 184 C PRO A 12 -20.173 8.203 17.302 1.00 0.00 C ATOM 185 O PRO A 12 -20.490 7.931 18.443 1.00 0.00 O ATOM 186 CB PRO A 12 -18.020 9.475 17.130 1.00 0.00 C ATOM 187 CG PRO A 12 -18.129 10.228 15.849 1.00 0.00 C ATOM 188 CD PRO A 12 -18.018 9.198 14.762 1.00 0.00 C ATOM 0 HA PRO A 12 -18.272 7.298 17.380 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.504 10.009 17.947 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.979 9.329 17.418 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.078 10.761 15.788 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.338 10.973 15.764 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.567 9.493 13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.983 9.036 14.462 1.00 0.00 H new ATOM 196 N ARG A 13 -21.061 8.558 16.418 1.00 0.00 N ATOM 197 CA ARG A 13 -22.501 8.638 16.796 1.00 0.00 C ATOM 198 C ARG A 13 -23.252 7.434 16.223 1.00 0.00 C ATOM 199 O ARG A 13 -24.274 7.026 16.738 1.00 0.00 O ATOM 200 CB ARG A 13 -23.105 9.923 16.231 1.00 0.00 C ATOM 201 CG ARG A 13 -22.540 11.129 16.982 1.00 0.00 C ATOM 202 CD ARG A 13 -23.177 12.407 16.436 1.00 0.00 C ATOM 203 NE ARG A 13 -22.493 13.595 17.020 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.851 14.044 18.192 1.00 0.00 C ATOM 205 NH1 ARG A 13 -22.044 13.925 19.210 1.00 0.00 N ATOM 206 NH2 ARG A 13 -24.016 14.609 18.346 1.00 0.00 N ATOM 0 H ARG A 13 -20.853 8.797 15.448 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.588 8.637 17.883 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -22.880 10.006 15.168 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.191 9.899 16.326 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.742 11.035 18.049 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.457 11.170 16.865 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.100 12.428 15.349 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.239 12.429 16.681 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.745 14.057 16.504 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.134 13.481 19.090 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -22.323 14.276 20.126 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.648 14.700 17.550 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.296 14.960 19.262 1.00 0.00 H new ATOM 220 N ILE A 14 -22.758 6.866 15.158 1.00 0.00 N ATOM 221 CA ILE A 14 -23.450 5.693 14.551 1.00 0.00 C ATOM 222 C ILE A 14 -23.083 4.426 15.325 1.00 0.00 C ATOM 223 O ILE A 14 -23.935 3.631 15.675 1.00 0.00 O ATOM 224 CB ILE A 14 -23.016 5.543 13.092 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.367 6.818 12.320 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.740 4.351 12.463 1.00 0.00 C ATOM 227 CD1 ILE A 14 -24.814 7.214 12.619 1.00 0.00 C ATOM 0 H ILE A 14 -21.906 7.162 14.682 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.528 5.846 14.595 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.939 5.378 13.050 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -22.692 7.625 12.604 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.237 6.655 11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.430 4.245 11.423 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.490 3.443 13.011 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.817 4.515 12.506 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -25.064 8.122 12.069 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -25.482 6.409 12.313 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -24.929 7.394 13.688 1.00 0.00 H new ATOM 239 N GLY A 15 -21.822 4.226 15.595 1.00 0.00 N ATOM 240 CA GLY A 15 -21.407 3.008 16.345 1.00 0.00 C ATOM 241 C GLY A 15 -21.296 1.828 15.377 1.00 0.00 C ATOM 242 O GLY A 15 -21.234 2.002 14.176 1.00 0.00 O ATOM 0 H GLY A 15 -21.063 4.853 15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.450 3.179 16.838 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.133 2.784 17.127 1.00 0.00 H new ATOM 246 N TYR A 16 -21.275 0.628 15.888 1.00 0.00 N ATOM 247 CA TYR A 16 -21.170 -0.559 14.995 1.00 0.00 C ATOM 248 C TYR A 16 -22.545 -1.214 14.854 1.00 0.00 C ATOM 249 O TYR A 16 -23.356 -1.180 15.759 1.00 0.00 O ATOM 250 CB TYR A 16 -20.187 -1.566 15.597 1.00 0.00 C ATOM 251 CG TYR A 16 -19.469 -2.297 14.488 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.173 -3.182 13.662 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.099 -2.092 14.285 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.508 -3.860 12.634 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.433 -2.770 13.257 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.138 -3.654 12.432 1.00 0.00 C ATOM 257 OH TYR A 16 -17.484 -4.321 11.416 1.00 0.00 O ATOM 0 H TYR A 16 -21.326 0.419 16.885 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.814 -0.244 14.014 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.467 -1.051 16.233 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.720 -2.276 16.229 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.230 -3.341 13.818 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.555 -1.410 14.922 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.051 -4.542 11.997 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.376 -2.611 13.101 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.553 -4.017 11.371 1.00 0.00 H new ATOM 267 N LEU A 17 -22.812 -1.813 13.727 1.00 0.00 N ATOM 268 CA LEU A 17 -24.132 -2.473 13.526 1.00 0.00 C ATOM 269 C LEU A 17 -23.930 -3.980 13.358 1.00 0.00 C ATOM 270 O LEU A 17 -23.377 -4.438 12.376 1.00 0.00 O ATOM 271 CB LEU A 17 -24.800 -1.904 12.273 1.00 0.00 C ATOM 272 CG LEU A 17 -26.198 -2.507 12.122 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.128 -1.910 13.182 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.743 -2.187 10.728 1.00 0.00 C ATOM 0 H LEU A 17 -22.172 -1.874 12.935 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.767 -2.287 14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.866 -0.818 12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.198 -2.129 11.393 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.144 -3.588 12.252 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -28.124 -2.339 13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.740 -2.136 14.175 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.182 -0.829 13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.739 -2.616 10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.797 -1.106 10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.081 -2.610 9.973 1.00 0.00 H new ATOM 286 N CYS A 18 -24.372 -4.757 14.309 1.00 0.00 N ATOM 287 CA CYS A 18 -24.208 -6.234 14.210 1.00 0.00 C ATOM 288 C CYS A 18 -25.585 -6.900 14.238 1.00 0.00 C ATOM 289 O CYS A 18 -26.549 -6.334 14.715 1.00 0.00 O ATOM 290 CB CYS A 18 -23.372 -6.730 15.390 1.00 0.00 C ATOM 291 SG CYS A 18 -21.746 -5.938 15.338 1.00 0.00 S ATOM 0 H CYS A 18 -24.842 -4.430 15.154 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.703 -6.487 13.277 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.873 -6.498 16.330 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.264 -7.814 15.345 1.00 0.00 H new ATOM 296 N PRO A 19 -25.673 -8.127 13.709 1.00 0.00 N ATOM 297 CA PRO A 19 -26.931 -8.883 13.663 1.00 0.00 C ATOM 298 C PRO A 19 -27.352 -9.375 15.050 1.00 0.00 C ATOM 299 O PRO A 19 -26.581 -9.354 15.989 1.00 0.00 O ATOM 300 CB PRO A 19 -26.600 -10.073 12.765 1.00 0.00 C ATOM 301 CG PRO A 19 -25.124 -10.244 12.888 1.00 0.00 C ATOM 302 CD PRO A 19 -24.552 -8.872 13.117 1.00 0.00 C ATOM 0 HA PRO A 19 -27.760 -8.275 13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.130 -10.970 13.085 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.891 -9.882 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.878 -10.910 13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.709 -10.691 11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.692 -8.902 13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.215 -8.417 12.186 1.00 0.00 H new ATOM 310 N LYS A 20 -28.571 -9.818 15.184 1.00 0.00 N ATOM 311 CA LYS A 20 -29.042 -10.313 16.507 1.00 0.00 C ATOM 312 C LYS A 20 -28.697 -11.796 16.648 1.00 0.00 C ATOM 313 O LYS A 20 -28.821 -12.375 17.710 1.00 0.00 O ATOM 314 CB LYS A 20 -30.556 -10.124 16.614 1.00 0.00 C ATOM 315 CG LYS A 20 -30.894 -8.639 16.458 1.00 0.00 C ATOM 316 CD LYS A 20 -32.399 -8.435 16.644 1.00 0.00 C ATOM 317 CE LYS A 20 -32.733 -6.948 16.503 1.00 0.00 C ATOM 318 NZ LYS A 20 -34.212 -6.764 16.545 1.00 0.00 N ATOM 0 H LYS A 20 -29.261 -9.859 14.434 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.552 -9.751 17.302 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.062 -10.706 15.844 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.912 -10.491 17.577 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.343 -8.051 17.192 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.588 -8.287 15.473 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.950 -9.014 15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.707 -8.797 17.625 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.262 -6.381 17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.334 -6.562 15.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.439 -5.754 16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.650 -7.293 15.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -34.580 -7.117 17.451 1.00 0.00 H new ATOM 332 N ASP A 21 -28.260 -12.417 15.587 1.00 0.00 N ATOM 333 CA ASP A 21 -27.902 -13.860 15.663 1.00 0.00 C ATOM 334 C ASP A 21 -26.548 -14.004 16.361 1.00 0.00 C ATOM 335 O ASP A 21 -25.524 -13.623 15.832 1.00 0.00 O ATOM 336 CB ASP A 21 -27.812 -14.438 14.249 1.00 0.00 C ATOM 337 CG ASP A 21 -27.686 -15.960 14.326 1.00 0.00 C ATOM 338 OD1 ASP A 21 -27.763 -16.487 15.423 1.00 0.00 O ATOM 339 OD2 ASP A 21 -27.515 -16.574 13.286 1.00 0.00 O ATOM 0 H ASP A 21 -28.136 -11.987 14.671 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.664 -14.399 16.225 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.698 -14.165 13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -26.953 -14.017 13.727 1.00 0.00 H new ATOM 344 N LEU A 22 -26.535 -14.545 17.548 1.00 0.00 N ATOM 345 CA LEU A 22 -25.245 -14.705 18.276 1.00 0.00 C ATOM 346 C LEU A 22 -24.502 -15.931 17.745 1.00 0.00 C ATOM 347 O LEU A 22 -25.016 -17.033 17.752 1.00 0.00 O ATOM 348 CB LEU A 22 -25.515 -14.884 19.770 1.00 0.00 C ATOM 349 CG LEU A 22 -24.185 -15.046 20.508 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.280 -13.851 20.195 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.439 -15.111 22.015 1.00 0.00 C ATOM 0 H LEU A 22 -27.360 -14.882 18.044 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.635 -13.815 18.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.057 -14.022 20.159 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.145 -15.758 19.935 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.700 -15.966 20.183 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.332 -13.965 20.720 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.097 -13.805 19.122 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.766 -12.931 20.520 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.490 -15.226 22.539 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.925 -14.192 22.342 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -25.083 -15.961 22.239 1.00 0.00 H new ATOM 363 N LYS A 23 -23.292 -15.750 17.291 1.00 0.00 N ATOM 364 CA LYS A 23 -22.510 -16.905 16.766 1.00 0.00 C ATOM 365 C LYS A 23 -21.058 -16.776 17.228 1.00 0.00 C ATOM 366 O LYS A 23 -20.322 -15.931 16.759 1.00 0.00 O ATOM 367 CB LYS A 23 -22.564 -16.910 15.237 1.00 0.00 C ATOM 368 CG LYS A 23 -23.962 -16.494 14.775 1.00 0.00 C ATOM 369 CD LYS A 23 -23.940 -16.207 13.273 1.00 0.00 C ATOM 370 CE LYS A 23 -23.738 -17.516 12.505 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.801 -17.655 11.470 1.00 0.00 N ATOM 0 H LYS A 23 -22.811 -14.851 17.261 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.934 -17.836 17.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -21.817 -16.226 14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.324 -17.903 14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.679 -17.285 14.994 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.288 -15.608 15.320 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.874 -15.735 12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.138 -15.507 13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.755 -17.526 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.772 -18.362 13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.664 -18.544 10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.734 -17.664 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.748 -16.854 10.809 1.00 0.00 H new ATOM 385 N PRO A 24 -20.645 -17.633 18.175 1.00 0.00 N ATOM 386 CA PRO A 24 -19.281 -17.622 18.723 1.00 0.00 C ATOM 387 C PRO A 24 -18.234 -17.968 17.665 1.00 0.00 C ATOM 388 O PRO A 24 -18.259 -19.028 17.077 1.00 0.00 O ATOM 389 CB PRO A 24 -19.325 -18.703 19.806 1.00 0.00 C ATOM 390 CG PRO A 24 -20.441 -19.598 19.387 1.00 0.00 C ATOM 391 CD PRO A 24 -21.471 -18.693 18.779 1.00 0.00 C ATOM 0 HA PRO A 24 -18.997 -16.638 19.097 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.381 -19.245 19.866 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.508 -18.273 20.791 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.099 -20.342 18.668 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.850 -20.142 20.239 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.077 -19.210 18.035 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.156 -18.297 19.528 1.00 0.00 H new ATOM 399 N VAL A 25 -17.315 -17.076 17.415 1.00 0.00 N ATOM 400 CA VAL A 25 -16.269 -17.360 16.391 1.00 0.00 C ATOM 401 C VAL A 25 -14.894 -17.421 17.057 1.00 0.00 C ATOM 402 O VAL A 25 -14.665 -16.826 18.091 1.00 0.00 O ATOM 403 CB VAL A 25 -16.265 -16.254 15.335 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.667 -16.098 14.745 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.832 -14.937 15.980 1.00 0.00 C ATOM 0 H VAL A 25 -17.243 -16.167 17.873 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.489 -18.317 15.918 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.568 -16.517 14.539 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.660 -15.309 13.993 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.974 -17.036 14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.368 -15.837 15.538 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.829 -14.148 15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.528 -14.676 16.777 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.830 -15.047 16.395 1.00 0.00 H new ATOM 415 N CYS A 26 -13.976 -18.130 16.461 1.00 0.00 N ATOM 416 CA CYS A 26 -12.608 -18.226 17.045 1.00 0.00 C ATOM 417 C CYS A 26 -11.699 -17.211 16.349 1.00 0.00 C ATOM 418 O CYS A 26 -11.599 -17.187 15.144 1.00 0.00 O ATOM 419 CB CYS A 26 -12.052 -19.637 16.822 1.00 0.00 C ATOM 420 SG CYS A 26 -10.355 -19.723 17.445 1.00 0.00 S ATOM 0 H CYS A 26 -14.114 -18.648 15.593 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.650 -18.018 18.114 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.676 -20.370 17.333 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.074 -19.884 15.761 1.00 0.00 H new ATOM 425 N GLY A 27 -11.041 -16.370 17.095 1.00 0.00 N ATOM 426 CA GLY A 27 -10.142 -15.361 16.465 1.00 0.00 C ATOM 427 C GLY A 27 -8.824 -16.032 16.069 1.00 0.00 C ATOM 428 O GLY A 27 -8.273 -16.824 16.808 1.00 0.00 O ATOM 0 H GLY A 27 -11.086 -16.336 18.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.621 -14.929 15.587 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.952 -14.543 17.160 1.00 0.00 H new ATOM 432 N ASP A 28 -8.313 -15.723 14.907 1.00 0.00 N ATOM 433 CA ASP A 28 -7.031 -16.347 14.468 1.00 0.00 C ATOM 434 C ASP A 28 -5.877 -15.785 15.299 1.00 0.00 C ATOM 435 O ASP A 28 -4.769 -16.280 15.257 1.00 0.00 O ATOM 436 CB ASP A 28 -6.793 -16.044 12.989 1.00 0.00 C ATOM 437 CG ASP A 28 -5.506 -16.730 12.526 1.00 0.00 C ATOM 438 OD1 ASP A 28 -5.015 -17.576 13.253 1.00 0.00 O ATOM 439 OD2 ASP A 28 -5.034 -16.396 11.452 1.00 0.00 O ATOM 0 H ASP A 28 -8.727 -15.067 14.244 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.087 -17.426 14.611 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.637 -16.394 12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.719 -14.967 12.835 1.00 0.00 H new ATOM 444 N ASP A 29 -6.131 -14.758 16.062 1.00 0.00 N ATOM 445 CA ASP A 29 -5.050 -14.173 16.901 1.00 0.00 C ATOM 446 C ASP A 29 -5.007 -14.899 18.245 1.00 0.00 C ATOM 447 O ASP A 29 -4.339 -14.478 19.169 1.00 0.00 O ATOM 448 CB ASP A 29 -5.334 -12.688 17.133 1.00 0.00 C ATOM 449 CG ASP A 29 -6.672 -12.535 17.858 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.256 -13.550 18.202 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.092 -11.407 18.057 1.00 0.00 O ATOM 0 H ASP A 29 -7.039 -14.300 16.140 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.091 -14.284 16.394 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.534 -12.241 17.724 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.361 -12.158 16.181 1.00 0.00 H new ATOM 456 N GLY A 30 -5.720 -15.986 18.365 1.00 0.00 N ATOM 457 CA GLY A 30 -5.725 -16.735 19.651 1.00 0.00 C ATOM 458 C GLY A 30 -6.809 -16.157 20.562 1.00 0.00 C ATOM 459 O GLY A 30 -6.773 -16.314 21.766 1.00 0.00 O ATOM 0 H GLY A 30 -6.299 -16.387 17.627 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.912 -17.793 19.469 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.750 -16.661 20.133 1.00 0.00 H new ATOM 463 N GLN A 31 -7.776 -15.487 19.994 1.00 0.00 N ATOM 464 CA GLN A 31 -8.865 -14.897 20.821 1.00 0.00 C ATOM 465 C GLN A 31 -10.212 -15.467 20.375 1.00 0.00 C ATOM 466 O GLN A 31 -10.293 -16.237 19.439 1.00 0.00 O ATOM 467 CB GLN A 31 -8.874 -13.376 20.644 1.00 0.00 C ATOM 468 CG GLN A 31 -7.662 -12.770 21.355 1.00 0.00 C ATOM 469 CD GLN A 31 -7.579 -11.277 21.035 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.364 -10.765 20.261 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.653 -10.552 21.600 1.00 0.00 N ATOM 0 H GLN A 31 -7.858 -15.323 18.991 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.696 -15.141 21.870 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.851 -13.123 19.584 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.794 -12.958 21.052 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.747 -12.918 22.432 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.750 -13.273 21.035 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.994 -10.982 22.250 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.588 -9.556 21.392 1.00 0.00 H new ATOM 480 N THR A 32 -11.271 -15.093 21.039 1.00 0.00 N ATOM 481 CA THR A 32 -12.617 -15.609 20.658 1.00 0.00 C ATOM 482 C THR A 32 -13.642 -14.481 20.774 1.00 0.00 C ATOM 483 O THR A 32 -13.663 -13.747 21.742 1.00 0.00 O ATOM 484 CB THR A 32 -13.010 -16.748 21.601 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.003 -17.750 21.578 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.339 -17.346 21.149 1.00 0.00 C ATOM 0 H THR A 32 -11.262 -14.451 21.831 1.00 0.00 H new ATOM 0 HA THR A 32 -12.590 -15.977 19.632 1.00 0.00 H new ATOM 0 HB THR A 32 -13.113 -16.363 22.615 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.720 -17.908 20.653 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.620 -18.158 21.820 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.110 -16.576 21.169 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.238 -17.732 20.135 1.00 0.00 H new ATOM 494 N TYR A 33 -14.492 -14.337 19.796 1.00 0.00 N ATOM 495 CA TYR A 33 -15.514 -13.255 19.854 1.00 0.00 C ATOM 496 C TYR A 33 -16.910 -13.879 19.873 1.00 0.00 C ATOM 497 O TYR A 33 -17.230 -14.729 19.066 1.00 0.00 O ATOM 498 CB TYR A 33 -15.366 -12.354 18.629 1.00 0.00 C ATOM 499 CG TYR A 33 -13.935 -11.880 18.531 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.959 -12.719 17.979 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.583 -10.608 18.997 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.631 -12.285 17.891 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.255 -10.175 18.911 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.280 -11.012 18.357 1.00 0.00 C ATOM 505 OH TYR A 33 -9.971 -10.584 18.273 1.00 0.00 O ATOM 0 H TYR A 33 -14.523 -14.921 18.960 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.372 -12.661 20.757 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.644 -12.898 17.727 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.040 -11.501 18.707 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.231 -13.701 17.621 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.336 -9.961 19.423 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.878 -12.931 17.464 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.983 -9.194 19.272 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.598 -10.494 19.175 1.00 0.00 H new ATOM 515 N ASN A 34 -17.741 -13.472 20.791 1.00 0.00 N ATOM 516 CA ASN A 34 -19.111 -14.052 20.861 1.00 0.00 C ATOM 517 C ASN A 34 -19.804 -13.905 19.505 1.00 0.00 C ATOM 518 O ASN A 34 -19.902 -14.844 18.747 1.00 0.00 O ATOM 519 CB ASN A 34 -19.922 -13.334 21.944 1.00 0.00 C ATOM 520 CG ASN A 34 -19.038 -13.093 23.167 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.273 -13.953 23.558 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.111 -11.952 23.793 1.00 0.00 N ATOM 0 H ASN A 34 -17.532 -12.764 21.495 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.042 -15.110 21.112 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.299 -12.385 21.562 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.789 -13.933 22.221 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.526 -11.781 24.611 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.753 -11.230 23.465 1.00 0.00 H new ATOM 529 N ASN A 35 -20.288 -12.738 19.195 1.00 0.00 N ATOM 530 CA ASN A 35 -20.976 -12.540 17.885 1.00 0.00 C ATOM 531 C ASN A 35 -19.934 -12.315 16.785 1.00 0.00 C ATOM 532 O ASN A 35 -18.878 -11.768 17.029 1.00 0.00 O ATOM 533 CB ASN A 35 -21.906 -11.326 17.997 1.00 0.00 C ATOM 534 CG ASN A 35 -22.394 -10.896 16.613 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.616 -10.464 15.788 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.665 -10.995 16.325 1.00 0.00 N ATOM 0 H ASN A 35 -20.239 -11.911 19.789 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.562 -13.423 17.630 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.759 -11.571 18.630 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.380 -10.500 18.476 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.004 -10.709 15.406 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.318 -11.358 17.019 1.00 0.00 H new ATOM 543 N PRO A 36 -20.237 -12.745 15.547 1.00 0.00 N ATOM 544 CA PRO A 36 -19.322 -12.584 14.407 1.00 0.00 C ATOM 545 C PRO A 36 -19.065 -11.109 14.088 1.00 0.00 C ATOM 546 O PRO A 36 -17.933 -10.672 14.019 1.00 0.00 O ATOM 547 CB PRO A 36 -20.063 -13.268 13.254 1.00 0.00 C ATOM 548 CG PRO A 36 -21.494 -13.214 13.659 1.00 0.00 C ATOM 549 CD PRO A 36 -21.489 -13.414 15.147 1.00 0.00 C ATOM 0 HA PRO A 36 -18.338 -13.011 14.602 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.896 -12.750 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.726 -14.296 13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.943 -12.258 13.392 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.074 -13.990 13.159 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.361 -12.963 15.621 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.490 -14.470 15.416 1.00 0.00 H new ATOM 557 N CYS A 37 -20.098 -10.331 13.913 1.00 0.00 N ATOM 558 CA CYS A 37 -19.888 -8.887 13.624 1.00 0.00 C ATOM 559 C CYS A 37 -19.166 -8.262 14.819 1.00 0.00 C ATOM 560 O CYS A 37 -18.434 -7.302 14.688 1.00 0.00 O ATOM 561 CB CYS A 37 -21.241 -8.202 13.411 1.00 0.00 C ATOM 562 SG CYS A 37 -21.044 -6.404 13.504 1.00 0.00 S ATOM 0 H CYS A 37 -21.072 -10.632 13.957 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.291 -8.763 12.721 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.651 -8.482 12.441 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.951 -8.538 14.166 1.00 0.00 H new ATOM 567 N MET A 38 -19.364 -8.813 15.986 1.00 0.00 N ATOM 568 CA MET A 38 -18.687 -8.270 17.195 1.00 0.00 C ATOM 569 C MET A 38 -17.177 -8.429 17.023 1.00 0.00 C ATOM 570 O MET A 38 -16.392 -7.800 17.705 1.00 0.00 O ATOM 571 CB MET A 38 -19.153 -9.045 18.431 1.00 0.00 C ATOM 572 CG MET A 38 -20.418 -8.393 18.995 1.00 0.00 C ATOM 573 SD MET A 38 -20.031 -6.721 19.570 1.00 0.00 S ATOM 574 CE MET A 38 -18.943 -7.198 20.934 1.00 0.00 C ATOM 0 H MET A 38 -19.968 -9.618 16.153 1.00 0.00 H new ATOM 0 HA MET A 38 -18.935 -7.216 17.322 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.353 -10.084 18.168 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.367 -9.053 19.186 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.193 -8.355 18.229 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.812 -8.990 19.818 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.121 -6.544 21.787 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.148 -8.230 21.219 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.903 -7.108 20.619 1.00 0.00 H new ATOM 584 N LEU A 39 -16.768 -9.257 16.102 1.00 0.00 N ATOM 585 CA LEU A 39 -15.313 -9.453 15.866 1.00 0.00 C ATOM 586 C LEU A 39 -14.742 -8.173 15.266 1.00 0.00 C ATOM 587 O LEU A 39 -13.836 -7.570 15.805 1.00 0.00 O ATOM 588 CB LEU A 39 -15.111 -10.615 14.892 1.00 0.00 C ATOM 589 CG LEU A 39 -13.648 -10.662 14.450 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.765 -11.008 15.650 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.476 -11.730 13.366 1.00 0.00 C ATOM 0 H LEU A 39 -17.382 -9.807 15.502 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.805 -9.681 16.803 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.388 -11.555 15.369 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.760 -10.494 14.025 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.357 -9.690 14.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.722 -11.042 15.336 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.887 -10.249 16.423 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.056 -11.980 16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.433 -11.764 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.766 -12.702 13.764 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.106 -11.485 12.511 1.00 0.00 H new ATOM 603 N CYS A 40 -15.283 -7.741 14.163 1.00 0.00 N ATOM 604 CA CYS A 40 -14.789 -6.485 13.541 1.00 0.00 C ATOM 605 C CYS A 40 -14.881 -5.368 14.577 1.00 0.00 C ATOM 606 O CYS A 40 -14.182 -4.377 14.508 1.00 0.00 O ATOM 607 CB CYS A 40 -15.656 -6.142 12.334 1.00 0.00 C ATOM 608 SG CYS A 40 -14.807 -4.909 11.327 1.00 0.00 S ATOM 0 H CYS A 40 -16.045 -8.203 13.666 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.757 -6.605 13.212 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.852 -7.038 11.745 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.622 -5.759 12.662 1.00 0.00 H new ATOM 613 N HIS A 41 -15.738 -5.534 15.549 1.00 0.00 N ATOM 614 CA HIS A 41 -15.882 -4.500 16.609 1.00 0.00 C ATOM 615 C HIS A 41 -14.646 -4.532 17.504 1.00 0.00 C ATOM 616 O HIS A 41 -13.890 -3.583 17.570 1.00 0.00 O ATOM 617 CB HIS A 41 -17.123 -4.803 17.447 1.00 0.00 C ATOM 618 CG HIS A 41 -17.524 -3.575 18.215 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.989 -2.430 17.587 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.534 -3.295 19.559 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.256 -1.523 18.545 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.997 -1.999 19.765 1.00 0.00 N ATOM 0 H HIS A 41 -16.346 -6.346 15.653 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.984 -3.515 16.154 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.941 -5.124 16.802 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.919 -5.624 18.135 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.107 -2.299 16.582 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.229 -3.977 20.338 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.634 -0.530 18.350 1.00 0.00 H new ATOM 630 N GLU A 42 -14.427 -5.623 18.184 1.00 0.00 N ATOM 631 CA GLU A 42 -13.230 -5.716 19.061 1.00 0.00 C ATOM 632 C GLU A 42 -11.993 -5.398 18.225 1.00 0.00 C ATOM 633 O GLU A 42 -10.957 -5.015 18.736 1.00 0.00 O ATOM 634 CB GLU A 42 -13.119 -7.135 19.622 1.00 0.00 C ATOM 635 CG GLU A 42 -14.274 -7.393 20.590 1.00 0.00 C ATOM 636 CD GLU A 42 -13.951 -8.617 21.450 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.808 -9.041 21.434 1.00 0.00 O ATOM 638 OE2 GLU A 42 -14.852 -9.106 22.110 1.00 0.00 O ATOM 0 H GLU A 42 -15.023 -6.450 18.170 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.314 -5.011 19.888 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.142 -7.861 18.810 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.166 -7.261 20.135 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.434 -6.521 21.224 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.198 -7.558 20.036 1.00 0.00 H new ATOM 645 N ASN A 43 -12.100 -5.547 16.932 1.00 0.00 N ATOM 646 CA ASN A 43 -10.942 -5.251 16.047 1.00 0.00 C ATOM 647 C ASN A 43 -10.749 -3.738 15.965 1.00 0.00 C ATOM 648 O ASN A 43 -9.639 -3.245 15.929 1.00 0.00 O ATOM 649 CB ASN A 43 -11.210 -5.811 14.649 1.00 0.00 C ATOM 650 CG ASN A 43 -11.117 -7.339 14.686 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.502 -7.900 15.571 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.706 -8.039 13.755 1.00 0.00 N ATOM 0 H ASN A 43 -12.943 -5.862 16.451 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.042 -5.714 16.452 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.198 -5.504 14.306 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.487 -5.409 13.939 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.650 -9.057 13.770 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.222 -7.568 13.012 1.00 0.00 H new ATOM 659 N LEU A 44 -11.820 -2.992 15.943 1.00 0.00 N ATOM 660 CA LEU A 44 -11.688 -1.510 15.872 1.00 0.00 C ATOM 661 C LEU A 44 -10.939 -1.019 17.112 1.00 0.00 C ATOM 662 O LEU A 44 -10.198 -0.058 17.062 1.00 0.00 O ATOM 663 CB LEU A 44 -13.078 -0.872 15.820 1.00 0.00 C ATOM 664 CG LEU A 44 -13.753 -1.234 14.495 1.00 0.00 C ATOM 665 CD1 LEU A 44 -15.011 -0.382 14.311 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.786 -0.970 13.339 1.00 0.00 C ATOM 0 H LEU A 44 -12.777 -3.344 15.971 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.136 -1.230 14.975 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.683 -1.222 16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.997 0.211 15.916 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.027 -2.289 14.506 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.491 -0.641 13.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.702 -0.571 15.133 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.738 0.673 14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.267 -1.228 12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.510 0.084 13.329 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.891 -1.578 13.468 1.00 0.00 H new ATOM 678 N ILE A 45 -11.116 -1.685 18.223 1.00 0.00 N ATOM 679 CA ILE A 45 -10.404 -1.269 19.463 1.00 0.00 C ATOM 680 C ILE A 45 -8.934 -1.675 19.348 1.00 0.00 C ATOM 681 O ILE A 45 -8.042 -0.927 19.693 1.00 0.00 O ATOM 682 CB ILE A 45 -11.028 -1.964 20.676 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.547 -2.024 20.509 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.685 -1.183 21.946 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.186 -2.448 21.833 1.00 0.00 C ATOM 0 H ILE A 45 -11.723 -2.499 18.323 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.486 -0.189 19.588 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.632 -2.977 20.754 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.929 -1.050 20.203 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.810 -2.731 19.722 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.130 -1.678 22.809 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.603 -1.144 22.068 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.078 -0.169 21.867 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.269 -2.492 21.717 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.812 -3.431 22.119 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.933 -1.724 22.607 1.00 0.00 H new ATOM 697 N ARG A 46 -8.679 -2.858 18.857 1.00 0.00 N ATOM 698 CA ARG A 46 -7.268 -3.317 18.711 1.00 0.00 C ATOM 699 C ARG A 46 -6.661 -2.700 17.449 1.00 0.00 C ATOM 700 O ARG A 46 -5.458 -2.584 17.320 1.00 0.00 O ATOM 701 CB ARG A 46 -7.238 -4.843 18.590 1.00 0.00 C ATOM 702 CG ARG A 46 -7.807 -5.466 19.865 1.00 0.00 C ATOM 703 CD ARG A 46 -7.720 -6.991 19.767 1.00 0.00 C ATOM 704 NE ARG A 46 -8.414 -7.604 20.934 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.984 -7.371 22.144 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.747 -7.003 22.337 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.791 -7.506 23.160 1.00 0.00 N ATOM 0 H ARG A 46 -9.387 -3.526 18.551 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.694 -3.008 19.584 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.820 -5.162 17.725 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.216 -5.186 18.430 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.252 -5.114 20.734 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.843 -5.158 20.003 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.176 -7.333 18.838 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.677 -7.306 19.744 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.225 -8.205 20.787 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.116 -6.897 21.542 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.411 -6.821 23.283 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.758 -7.794 23.009 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.455 -7.324 24.106 1.00 0.00 H new ATOM 721 N GLN A 47 -7.485 -2.307 16.518 1.00 0.00 N ATOM 722 CA GLN A 47 -6.962 -1.700 15.260 1.00 0.00 C ATOM 723 C GLN A 47 -6.121 -2.733 14.508 1.00 0.00 C ATOM 724 O GLN A 47 -5.073 -2.427 13.975 1.00 0.00 O ATOM 725 CB GLN A 47 -6.101 -0.481 15.599 1.00 0.00 C ATOM 726 CG GLN A 47 -6.971 0.584 16.268 1.00 0.00 C ATOM 727 CD GLN A 47 -6.124 1.824 16.559 1.00 0.00 C ATOM 728 OE1 GLN A 47 -4.912 1.779 16.476 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.714 2.937 16.898 1.00 0.00 N ATOM 0 H GLN A 47 -8.501 -2.380 16.573 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.796 -1.387 14.632 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.286 -0.770 16.263 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.647 -0.079 14.693 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.807 0.846 15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.395 0.194 17.194 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.731 2.974 16.968 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.158 3.770 17.093 1.00 0.00 H new ATOM 738 N THR A 48 -6.575 -3.956 14.461 1.00 0.00 N ATOM 739 CA THR A 48 -5.808 -5.011 13.743 1.00 0.00 C ATOM 740 C THR A 48 -6.733 -5.729 12.757 1.00 0.00 C ATOM 741 O THR A 48 -7.941 -5.633 12.845 1.00 0.00 O ATOM 742 CB THR A 48 -5.258 -6.020 14.754 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.311 -6.861 15.201 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.657 -5.272 15.946 1.00 0.00 C ATOM 0 H THR A 48 -7.446 -4.270 14.890 1.00 0.00 H new ATOM 0 HA THR A 48 -4.981 -4.554 13.200 1.00 0.00 H new ATOM 0 HB THR A 48 -4.485 -6.626 14.281 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.267 -7.719 14.729 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.265 -5.990 16.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.849 -4.627 15.601 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.428 -4.665 16.421 1.00 0.00 H new ATOM 752 N ASN A 49 -6.179 -6.446 11.818 1.00 0.00 N ATOM 753 CA ASN A 49 -7.031 -7.166 10.830 1.00 0.00 C ATOM 754 C ASN A 49 -7.261 -8.602 11.307 1.00 0.00 C ATOM 755 O ASN A 49 -6.880 -9.552 10.654 1.00 0.00 O ATOM 756 CB ASN A 49 -6.332 -7.184 9.469 1.00 0.00 C ATOM 757 CG ASN A 49 -5.072 -8.047 9.550 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.634 -8.403 10.626 1.00 0.00 O ATOM 759 ND2 ASN A 49 -4.467 -8.402 8.449 1.00 0.00 N ATOM 0 H ASN A 49 -5.174 -6.564 11.692 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.990 -6.656 10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.006 -7.577 8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.071 -6.169 9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.627 -8.978 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.835 -8.103 7.546 1.00 0.00 H new ATOM 766 N THR A 50 -7.879 -8.763 12.444 1.00 0.00 N ATOM 767 CA THR A 50 -8.135 -10.134 12.969 1.00 0.00 C ATOM 768 C THR A 50 -9.185 -10.831 12.103 1.00 0.00 C ATOM 769 O THR A 50 -10.166 -10.239 11.700 1.00 0.00 O ATOM 770 CB THR A 50 -8.650 -10.043 14.407 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.750 -9.261 15.180 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.752 -11.449 15.006 1.00 0.00 C ATOM 0 H THR A 50 -8.219 -8.003 13.034 1.00 0.00 H new ATOM 0 HA THR A 50 -7.207 -10.705 12.946 1.00 0.00 H new ATOM 0 HB THR A 50 -9.635 -9.577 14.412 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.239 -8.527 15.608 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.119 -11.382 16.030 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.442 -12.049 14.412 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.768 -11.918 15.003 1.00 0.00 H new ATOM 780 N HIS A 51 -8.990 -12.089 11.822 1.00 0.00 N ATOM 781 CA HIS A 51 -9.978 -12.832 10.992 1.00 0.00 C ATOM 782 C HIS A 51 -10.532 -14.003 11.805 1.00 0.00 C ATOM 783 O HIS A 51 -10.029 -14.326 12.862 1.00 0.00 O ATOM 784 CB HIS A 51 -9.290 -13.364 9.733 1.00 0.00 C ATOM 785 CG HIS A 51 -8.478 -12.267 9.103 1.00 0.00 C ATOM 786 ND1 HIS A 51 -9.055 -11.266 8.338 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.131 -11.999 9.116 1.00 0.00 C ATOM 788 CE1 HIS A 51 -8.067 -10.450 7.925 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.874 -10.852 8.370 1.00 0.00 N ATOM 0 H HIS A 51 -8.187 -12.636 12.132 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.792 -12.166 10.704 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.647 -14.207 9.986 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.034 -13.731 9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.384 -12.589 9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.221 -9.577 7.309 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.969 -10.413 8.200 1.00 0.00 H new ATOM 797 N ILE A 52 -11.561 -14.641 11.325 1.00 0.00 N ATOM 798 CA ILE A 52 -12.134 -15.788 12.082 1.00 0.00 C ATOM 799 C ILE A 52 -11.279 -17.030 11.844 1.00 0.00 C ATOM 800 O ILE A 52 -11.022 -17.420 10.721 1.00 0.00 O ATOM 801 CB ILE A 52 -13.562 -16.059 11.610 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.412 -14.802 11.802 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.152 -17.207 12.430 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.863 -15.109 11.432 1.00 0.00 C ATOM 0 H ILE A 52 -12.029 -14.420 10.446 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.145 -15.547 13.145 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.554 -16.329 10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.353 -14.464 12.837 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.030 -13.993 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.171 -17.405 12.098 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.545 -18.102 12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.161 -16.933 13.485 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.470 -14.214 11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.914 -15.427 10.391 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.241 -15.905 12.073 1.00 0.00 H new ATOM 816 N ARG A 53 -10.839 -17.650 12.897 1.00 0.00 N ATOM 817 CA ARG A 53 -9.999 -18.869 12.766 1.00 0.00 C ATOM 818 C ARG A 53 -10.891 -20.072 12.484 1.00 0.00 C ATOM 819 O ARG A 53 -10.633 -20.863 11.599 1.00 0.00 O ATOM 820 CB ARG A 53 -9.255 -19.102 14.080 1.00 0.00 C ATOM 821 CG ARG A 53 -8.269 -20.253 13.909 1.00 0.00 C ATOM 822 CD ARG A 53 -7.306 -20.288 15.096 1.00 0.00 C ATOM 823 NE ARG A 53 -6.440 -21.496 14.992 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.720 -21.875 16.013 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.261 -20.989 16.853 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.462 -23.141 16.194 1.00 0.00 N ATOM 0 H ARG A 53 -11.028 -17.361 13.857 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.289 -18.739 11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.725 -18.196 14.376 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.964 -19.331 14.876 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.807 -21.198 13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.712 -20.132 12.980 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.693 -19.387 15.108 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.865 -20.306 16.032 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.410 -22.028 14.122 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.465 -19.999 16.712 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.699 -21.286 17.651 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.823 -23.834 15.538 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.900 -23.438 16.991 1.00 0.00 H new ATOM 840 N SER A 54 -11.934 -20.216 13.245 1.00 0.00 N ATOM 841 CA SER A 54 -12.853 -21.367 13.049 1.00 0.00 C ATOM 842 C SER A 54 -14.206 -21.044 13.686 1.00 0.00 C ATOM 843 O SER A 54 -14.277 -20.537 14.786 1.00 0.00 O ATOM 844 CB SER A 54 -12.257 -22.605 13.721 1.00 0.00 C ATOM 845 OG SER A 54 -12.331 -22.459 15.131 1.00 0.00 O ATOM 0 H SER A 54 -12.192 -19.581 14.001 1.00 0.00 H new ATOM 0 HA SER A 54 -12.987 -21.557 11.984 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.798 -23.498 13.408 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.220 -22.736 13.412 1.00 0.00 H new ATOM 0 HG SER A 54 -11.588 -22.942 15.549 1.00 0.00 H new ATOM 851 N THR A 55 -15.279 -21.333 13.004 1.00 0.00 N ATOM 852 CA THR A 55 -16.620 -21.036 13.576 1.00 0.00 C ATOM 853 C THR A 55 -16.712 -21.613 14.990 1.00 0.00 C ATOM 854 O THR A 55 -16.116 -22.626 15.299 1.00 0.00 O ATOM 855 CB THR A 55 -17.702 -21.667 12.696 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.761 -23.064 12.949 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.369 -21.428 11.223 1.00 0.00 C ATOM 0 H THR A 55 -15.285 -21.761 12.078 1.00 0.00 H new ATOM 0 HA THR A 55 -16.767 -19.957 13.614 1.00 0.00 H new ATOM 0 HB THR A 55 -18.666 -21.214 12.926 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.455 -23.469 12.388 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.140 -21.878 10.598 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.324 -20.356 11.029 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.404 -21.879 10.990 1.00 0.00 H new ATOM 865 N GLY A 56 -17.452 -20.971 15.852 1.00 0.00 N ATOM 866 CA GLY A 56 -17.582 -21.474 17.248 1.00 0.00 C ATOM 867 C GLY A 56 -16.427 -20.935 18.089 1.00 0.00 C ATOM 868 O GLY A 56 -15.439 -20.455 17.571 1.00 0.00 O ATOM 0 H GLY A 56 -17.973 -20.118 15.649 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.535 -21.158 17.673 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.575 -22.564 17.256 1.00 0.00 H new ATOM 872 N LYS A 57 -16.546 -21.008 19.383 1.00 0.00 N ATOM 873 CA LYS A 57 -15.455 -20.498 20.259 1.00 0.00 C ATOM 874 C LYS A 57 -14.159 -21.252 19.948 1.00 0.00 C ATOM 875 O LYS A 57 -14.181 -22.376 19.484 1.00 0.00 O ATOM 876 CB LYS A 57 -15.834 -20.705 21.729 1.00 0.00 C ATOM 877 CG LYS A 57 -14.763 -20.087 22.632 1.00 0.00 C ATOM 878 CD LYS A 57 -14.871 -20.679 24.040 1.00 0.00 C ATOM 879 CE LYS A 57 -14.071 -19.815 25.019 1.00 0.00 C ATOM 880 NZ LYS A 57 -13.469 -20.682 26.071 1.00 0.00 N ATOM 0 H LYS A 57 -17.351 -21.398 19.873 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.308 -19.434 20.075 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.802 -20.248 21.932 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.933 -21.769 21.942 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.772 -20.279 22.221 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.887 -19.005 22.672 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.916 -20.724 24.348 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.492 -21.701 24.047 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.288 -19.274 24.487 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.720 -19.068 25.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.740 -20.327 27.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.813 -21.657 25.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.433 -20.668 25.981 1.00 0.00 H new ATOM 894 N CYS A 58 -13.031 -20.642 20.193 1.00 0.00 N ATOM 895 CA CYS A 58 -11.734 -21.321 19.907 1.00 0.00 C ATOM 896 C CYS A 58 -11.678 -22.659 20.647 1.00 0.00 C ATOM 897 O CYS A 58 -11.020 -23.588 20.221 1.00 0.00 O ATOM 898 CB CYS A 58 -10.581 -20.432 20.377 1.00 0.00 C ATOM 899 SG CYS A 58 -10.474 -18.970 19.315 1.00 0.00 S ATOM 0 H CYS A 58 -12.951 -19.701 20.579 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.648 -21.498 18.835 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.738 -20.131 21.413 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.643 -20.987 20.345 1.00 0.00 H new ATOM 904 N GLU A 59 -12.359 -22.764 21.755 1.00 0.00 N ATOM 905 CA GLU A 59 -12.340 -24.042 22.522 1.00 0.00 C ATOM 906 C GLU A 59 -13.359 -25.014 21.923 1.00 0.00 C ATOM 907 O GLU A 59 -13.258 -26.213 22.087 1.00 0.00 O ATOM 908 CB GLU A 59 -12.697 -23.766 23.984 1.00 0.00 C ATOM 909 CG GLU A 59 -12.569 -25.057 24.793 1.00 0.00 C ATOM 910 CD GLU A 59 -13.132 -24.839 26.198 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.607 -23.746 26.463 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.080 -25.768 26.988 1.00 0.00 O ATOM 0 H GLU A 59 -12.927 -22.021 22.162 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.344 -24.482 22.468 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.036 -23.001 24.393 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.714 -23.380 24.054 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.107 -25.864 24.296 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.523 -25.359 24.852 1.00 0.00 H new ATOM 919 N GLU A 60 -14.338 -24.506 21.229 1.00 0.00 N ATOM 920 CA GLU A 60 -15.361 -25.402 20.620 1.00 0.00 C ATOM 921 C GLU A 60 -14.718 -26.213 19.493 1.00 0.00 C ATOM 922 O GLU A 60 -15.123 -27.321 19.202 1.00 0.00 O ATOM 923 CB GLU A 60 -16.507 -24.561 20.055 1.00 0.00 C ATOM 924 CG GLU A 60 -17.393 -25.436 19.167 1.00 0.00 C ATOM 925 CD GLU A 60 -18.624 -24.641 18.729 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.659 -23.451 18.993 1.00 0.00 O ATOM 927 OE2 GLU A 60 -19.510 -25.236 18.138 1.00 0.00 O ATOM 0 H GLU A 60 -14.475 -23.510 21.057 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.751 -26.079 21.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.096 -24.136 20.868 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.109 -23.725 19.479 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.833 -25.770 18.293 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.699 -26.330 19.710 1.00 0.00 H new ATOM 934 N SER A 61 -13.722 -25.665 18.853 1.00 0.00 N ATOM 935 CA SER A 61 -13.053 -26.401 17.742 1.00 0.00 C ATOM 936 C SER A 61 -12.208 -27.539 18.315 1.00 0.00 C ATOM 937 O SER A 61 -11.862 -28.477 17.623 1.00 0.00 O ATOM 938 CB SER A 61 -12.153 -25.439 16.965 1.00 0.00 C ATOM 939 OG SER A 61 -11.045 -25.070 17.774 1.00 0.00 O ATOM 0 H SER A 61 -13.342 -24.739 19.051 1.00 0.00 H new ATOM 0 HA SER A 61 -13.809 -26.814 17.074 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.805 -25.911 16.046 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.716 -24.552 16.674 1.00 0.00 H new ATOM 0 HG SER A 61 -11.361 -24.562 18.550 1.00 0.00 H new ATOM 945 N SER A 62 -11.868 -27.466 19.573 1.00 0.00 N ATOM 946 CA SER A 62 -11.042 -28.545 20.185 1.00 0.00 C ATOM 947 C SER A 62 -11.900 -29.361 21.154 1.00 0.00 C ATOM 948 O SER A 62 -12.858 -28.869 21.715 1.00 0.00 O ATOM 949 CB SER A 62 -9.869 -27.920 20.944 1.00 0.00 C ATOM 950 OG SER A 62 -10.360 -27.207 22.070 1.00 0.00 O ATOM 0 H SER A 62 -12.126 -26.706 20.203 1.00 0.00 H new ATOM 0 HA SER A 62 -10.661 -29.199 19.400 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.175 -28.697 21.266 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.314 -27.249 20.289 1.00 0.00 H new ATOM 0 HG SER A 62 -11.296 -26.960 21.918 1.00 0.00 H new ATOM 956 N THR A 63 -11.560 -30.605 21.356 1.00 0.00 N ATOM 957 CA THR A 63 -12.353 -31.453 22.290 1.00 0.00 C ATOM 958 C THR A 63 -11.416 -32.079 23.325 1.00 0.00 C ATOM 959 O THR A 63 -10.951 -33.190 23.163 1.00 0.00 O ATOM 960 CB THR A 63 -13.059 -32.560 21.502 1.00 0.00 C ATOM 961 OG1 THR A 63 -12.147 -33.134 20.574 1.00 0.00 O ATOM 962 CG2 THR A 63 -14.254 -31.973 20.750 1.00 0.00 C ATOM 0 H THR A 63 -10.767 -31.070 20.914 1.00 0.00 H new ATOM 0 HA THR A 63 -13.098 -30.839 22.797 1.00 0.00 H new ATOM 0 HB THR A 63 -13.410 -33.329 22.190 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.331 -33.408 21.043 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.755 -32.763 20.190 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.953 -31.534 21.463 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.908 -31.203 20.061 1.00 0.00 H new ATOM 970 N PRO A 64 -11.136 -31.345 24.411 1.00 0.00 N ATOM 971 CA PRO A 64 -10.252 -31.818 25.484 1.00 0.00 C ATOM 972 C PRO A 64 -10.887 -32.958 26.286 1.00 0.00 C ATOM 973 O PRO A 64 -10.214 -33.690 26.983 1.00 0.00 O ATOM 974 CB PRO A 64 -10.079 -30.587 26.374 1.00 0.00 C ATOM 975 CG PRO A 64 -11.295 -29.765 26.118 1.00 0.00 C ATOM 976 CD PRO A 64 -11.660 -29.993 24.680 1.00 0.00 C ATOM 0 HA PRO A 64 -9.315 -32.215 25.095 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.003 -30.865 27.425 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.170 -30.040 26.122 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.111 -30.060 26.778 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.098 -28.710 26.307 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.738 -29.940 24.525 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.207 -29.248 24.026 1.00 0.00 H new ATOM 984 N GLY A 65 -12.180 -33.114 26.192 1.00 0.00 N ATOM 985 CA GLY A 65 -12.855 -34.207 26.947 1.00 0.00 C ATOM 986 C GLY A 65 -13.148 -33.739 28.374 1.00 0.00 C ATOM 987 O GLY A 65 -13.408 -34.532 29.256 1.00 0.00 O ATOM 0 H GLY A 65 -12.797 -32.532 25.625 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.782 -34.489 26.448 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.222 -35.094 26.967 1.00 0.00 H new ATOM 991 N THR A 66 -13.111 -32.455 28.608 1.00 0.00 N ATOM 992 CA THR A 66 -13.389 -31.939 29.978 1.00 0.00 C ATOM 993 C THR A 66 -14.404 -30.798 29.898 1.00 0.00 C ATOM 994 O THR A 66 -14.570 -30.173 28.870 1.00 0.00 O ATOM 995 CB THR A 66 -12.090 -31.425 30.603 1.00 0.00 C ATOM 996 OG1 THR A 66 -12.308 -31.147 31.980 1.00 0.00 O ATOM 997 CG2 THR A 66 -11.648 -30.148 29.887 1.00 0.00 C ATOM 0 H THR A 66 -12.900 -31.742 27.910 1.00 0.00 H new ATOM 0 HA THR A 66 -13.795 -32.742 30.593 1.00 0.00 H new ATOM 0 HB THR A 66 -11.313 -32.182 30.503 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.477 -30.819 32.383 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.723 -29.783 30.333 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.482 -30.362 28.831 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.423 -29.388 29.986 1.00 0.00 H new ATOM 1005 N THR A 67 -15.083 -30.521 30.977 1.00 0.00 N ATOM 1006 CA THR A 67 -16.086 -29.419 30.963 1.00 0.00 C ATOM 1007 C THR A 67 -15.734 -28.398 32.048 1.00 0.00 C ATOM 1008 O THR A 67 -15.004 -28.689 32.975 1.00 0.00 O ATOM 1009 CB THR A 67 -17.478 -29.992 31.233 1.00 0.00 C ATOM 1010 OG1 THR A 67 -17.603 -30.296 32.616 1.00 0.00 O ATOM 1011 CG2 THR A 67 -17.677 -31.265 30.409 1.00 0.00 C ATOM 0 H THR A 67 -14.987 -31.010 31.867 1.00 0.00 H new ATOM 0 HA THR A 67 -16.078 -28.932 29.988 1.00 0.00 H new ATOM 0 HB THR A 67 -18.234 -29.259 30.952 1.00 0.00 H new ATOM 0 HG1 THR A 67 -18.495 -30.662 32.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 -18.669 -31.672 30.602 1.00 0.00 H new ATOM 0 HG22 THR A 67 -17.581 -31.031 29.349 1.00 0.00 H new ATOM 0 HG23 THR A 67 -16.922 -32.001 30.688 1.00 0.00 H new ATOM 1019 N ALA A 68 -16.245 -27.202 31.939 1.00 0.00 N ATOM 1020 CA ALA A 68 -15.938 -26.164 32.964 1.00 0.00 C ATOM 1021 C ALA A 68 -16.369 -26.665 34.344 1.00 0.00 C ATOM 1022 O ALA A 68 -15.779 -26.324 35.350 1.00 0.00 O ATOM 1023 CB ALA A 68 -16.697 -24.878 32.630 1.00 0.00 C ATOM 0 H ALA A 68 -16.861 -26.899 31.185 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.866 -25.964 32.968 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.473 -24.118 33.379 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.391 -24.520 31.647 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -17.768 -25.079 32.626 1.00 0.00 H new ATOM 1029 N ALA A 69 -17.392 -27.471 34.399 1.00 0.00 N ATOM 1030 CA ALA A 69 -17.861 -27.991 35.715 1.00 0.00 C ATOM 1031 C ALA A 69 -16.752 -28.828 36.358 1.00 0.00 C ATOM 1032 O ALA A 69 -16.594 -28.845 37.562 1.00 0.00 O ATOM 1033 CB ALA A 69 -19.101 -28.864 35.506 1.00 0.00 C ATOM 0 H ALA A 69 -17.924 -27.793 33.590 1.00 0.00 H new ATOM 0 HA ALA A 69 -18.110 -27.154 36.368 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -19.444 -29.245 36.468 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -19.891 -28.270 35.048 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -18.851 -29.700 34.853 1.00 0.00 H new ATOM 1039 N SER A 70 -15.982 -29.523 35.564 1.00 0.00 N ATOM 1040 CA SER A 70 -14.886 -30.356 36.132 1.00 0.00 C ATOM 1041 C SER A 70 -13.988 -29.488 37.015 1.00 0.00 C ATOM 1042 O SER A 70 -13.450 -29.942 38.005 1.00 0.00 O ATOM 1043 CB SER A 70 -14.057 -30.953 34.993 1.00 0.00 C ATOM 1044 OG SER A 70 -14.906 -31.690 34.125 1.00 0.00 O ATOM 0 H SER A 70 -16.065 -29.549 34.548 1.00 0.00 H new ATOM 0 HA SER A 70 -15.315 -31.160 36.731 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.555 -30.159 34.440 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.280 -31.602 35.396 1.00 0.00 H new ATOM 0 HG SER A 70 -14.361 -32.200 33.490 1.00 0.00 H new ATOM 1050 N MET A 71 -13.825 -28.243 36.665 1.00 0.00 N ATOM 1051 CA MET A 71 -12.962 -27.346 37.483 1.00 0.00 C ATOM 1052 C MET A 71 -13.677 -27.005 38.792 1.00 0.00 C ATOM 1053 O MET A 71 -14.891 -26.987 38.860 1.00 0.00 O ATOM 1054 CB MET A 71 -12.681 -26.059 36.706 1.00 0.00 C ATOM 1055 CG MET A 71 -11.254 -26.097 36.157 1.00 0.00 C ATOM 1056 SD MET A 71 -10.964 -24.638 35.125 1.00 0.00 S ATOM 1057 CE MET A 71 -11.265 -23.393 36.403 1.00 0.00 C ATOM 0 H MET A 71 -14.252 -27.807 35.848 1.00 0.00 H new ATOM 0 HA MET A 71 -12.021 -27.850 37.703 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.394 -25.952 35.888 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.809 -25.194 37.356 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.538 -26.123 36.978 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.102 -27.005 35.573 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.665 -22.507 36.196 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.321 -23.124 36.407 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.990 -23.798 37.377 1.00 0.00 H new ATOM 1067 N PRO A 72 -12.903 -26.730 39.852 1.00 0.00 N ATOM 1068 CA PRO A 72 -13.453 -26.387 41.169 1.00 0.00 C ATOM 1069 C PRO A 72 -14.118 -25.007 41.167 1.00 0.00 C ATOM 1070 O PRO A 72 -13.694 -24.105 40.472 1.00 0.00 O ATOM 1071 CB PRO A 72 -12.224 -26.374 42.077 1.00 0.00 C ATOM 1072 CG PRO A 72 -11.083 -26.090 41.160 1.00 0.00 C ATOM 1073 CD PRO A 72 -11.430 -26.732 39.847 1.00 0.00 C ATOM 0 HA PRO A 72 -14.226 -27.088 41.485 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.310 -25.611 42.851 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.096 -27.330 42.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.937 -25.016 41.042 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.153 -26.496 41.558 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.029 -26.168 39.005 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.029 -27.743 39.774 1.00 0.00 H new ATOM 1081 N PRO A 73 -15.184 -24.847 41.964 1.00 0.00 N ATOM 1082 CA PRO A 73 -15.919 -23.580 42.063 1.00 0.00 C ATOM 1083 C PRO A 73 -15.098 -22.498 42.769 1.00 0.00 C ATOM 1084 O PRO A 73 -14.180 -22.787 43.511 1.00 0.00 O ATOM 1085 CB PRO A 73 -17.144 -23.941 42.903 1.00 0.00 C ATOM 1086 CG PRO A 73 -16.717 -25.126 43.701 1.00 0.00 C ATOM 1087 CD PRO A 73 -15.756 -25.891 42.833 1.00 0.00 C ATOM 0 HA PRO A 73 -16.164 -23.172 41.082 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.440 -23.114 43.549 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.002 -24.176 42.273 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.241 -24.818 44.632 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.574 -25.743 43.971 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.987 -26.388 43.424 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.263 -26.663 42.255 1.00 0.00 H new ATOM 1095 N SER A 74 -15.420 -21.254 42.545 1.00 0.00 N ATOM 1096 CA SER A 74 -14.659 -20.155 43.202 1.00 0.00 C ATOM 1097 C SER A 74 -15.145 -19.985 44.642 1.00 0.00 C ATOM 1098 O SER A 74 -14.551 -19.273 45.428 1.00 0.00 O ATOM 1099 CB SER A 74 -14.878 -18.852 42.431 1.00 0.00 C ATOM 1100 OG SER A 74 -16.223 -18.426 42.596 1.00 0.00 O ATOM 0 H SER A 74 -16.179 -20.951 41.934 1.00 0.00 H new ATOM 0 HA SER A 74 -13.597 -20.401 43.206 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.195 -18.084 42.792 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.659 -19.001 41.374 1.00 0.00 H new ATOM 0 HG SER A 74 -16.364 -17.590 42.104 1.00 0.00 H new ATOM 1106 N ASP A 75 -16.221 -20.631 44.996 1.00 0.00 N ATOM 1107 CA ASP A 75 -16.743 -20.504 46.386 1.00 0.00 C ATOM 1108 C ASP A 75 -15.766 -21.166 47.359 1.00 0.00 C ATOM 1109 O ASP A 75 -15.586 -20.718 48.474 1.00 0.00 O ATOM 1110 CB ASP A 75 -18.105 -21.194 46.484 1.00 0.00 C ATOM 1111 CG ASP A 75 -19.116 -20.452 45.607 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -18.825 -19.333 45.218 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -20.164 -21.015 45.339 1.00 0.00 O ATOM 0 H ASP A 75 -16.762 -21.241 44.383 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.851 -19.449 46.639 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.023 -22.233 46.164 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.445 -21.206 47.520 1.00 0.00 H new ATOM 1118 N GLU A 76 -15.132 -22.229 46.946 1.00 0.00 N ATOM 1119 CA GLU A 76 -14.167 -22.919 47.847 1.00 0.00 C ATOM 1120 C GLU A 76 -14.895 -23.397 49.105 1.00 0.00 C ATOM 1121 O GLU A 76 -15.161 -22.570 49.962 1.00 0.00 O ATOM 1122 CB GLU A 76 -13.053 -21.946 48.242 1.00 0.00 C ATOM 1123 CG GLU A 76 -12.305 -21.490 46.987 1.00 0.00 C ATOM 1124 CD GLU A 76 -11.671 -22.703 46.302 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -11.571 -23.735 46.944 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -11.296 -22.577 45.148 1.00 0.00 O ATOM 1127 OXT GLU A 76 -15.173 -24.582 49.189 1.00 0.00 O ATOM 0 H GLU A 76 -15.241 -22.649 46.023 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.736 -23.776 47.329 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.475 -21.085 48.760 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.363 -22.428 48.935 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.991 -20.990 46.303 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.535 -20.765 47.253 1.00 0.00 H new TER 1134 GLU A 76