USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 749 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 26 THR OG1 : rot 180:sc= 0.0389 USER MOD Set 1.2: A 67 SER OG : rot -53:sc= 1.18 USER MOD Set 2.1: A 10 THR OG1 : rot 52:sc= 1.47 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 173:sc= 0.194 (180deg=-0.177) USER MOD Single : A 1 VAL N :NH3+ -116:sc= -0.655 (180deg=-0.866) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -18:sc= 0.0654 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0935 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0358) USER MOD Single : A 27 TYR OH : rot 3:sc= 0.431 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.128 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -91:sc= 0.886 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0464 (180deg=-0.49) USER MOD Single : A 52 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.011) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.734 USER MOD Single : A 63 MET CE :methyl -154:sc= -6.85! (180deg=-8.28!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.602 K(o=-0.6,f=-3.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0224 K(o=-0.022,f=-3!) USER MOD Single : A 72 ASN : amide:sc= -0.0702 K(o=-0.07,f=-0.86) USER MOD Single : A 73 MET CE :methyl -115:sc= -2.46! (180deg=-4.18!) USER MOD Single : A 75 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.224! USER MOD Single : A 82 GLN : amide:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -19.209 8.329 -23.642 1.00 0.00 N ATOM 2 CA VAL A 1 -19.735 7.701 -22.442 1.00 0.00 C ATOM 3 C VAL A 1 -18.814 8.014 -21.261 1.00 0.00 C ATOM 4 O VAL A 1 -17.608 7.784 -21.333 1.00 0.00 O ATOM 5 CB VAL A 1 -19.920 6.200 -22.674 1.00 0.00 C ATOM 6 CG1 VAL A 1 -20.939 5.939 -23.785 1.00 0.00 C ATOM 7 CG2 VAL A 1 -18.583 5.526 -22.988 1.00 0.00 C ATOM 0 H1 VAL A 1 -19.881 9.046 -23.982 1.00 0.00 H new ATOM 0 H2 VAL A 1 -18.299 8.783 -23.426 1.00 0.00 H new ATOM 0 H3 VAL A 1 -19.070 7.608 -24.379 1.00 0.00 H new ATOM 0 HA VAL A 1 -20.719 8.103 -22.202 1.00 0.00 H new ATOM 0 HB VAL A 1 -20.308 5.763 -21.754 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -21.052 4.865 -23.930 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -21.900 6.371 -23.506 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -20.592 6.396 -24.712 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -18.742 4.460 -23.149 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -18.155 5.969 -23.887 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -17.898 5.669 -22.152 1.00 0.00 H new ATOM 17 N GLY A 2 -19.418 8.535 -20.203 1.00 0.00 N ATOM 18 CA GLY A 2 -18.666 8.883 -19.009 1.00 0.00 C ATOM 19 C GLY A 2 -17.418 9.693 -19.363 1.00 0.00 C ATOM 20 O GLY A 2 -17.330 10.261 -20.450 1.00 0.00 O ATOM 0 H GLY A 2 -20.419 8.724 -20.148 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -19.297 9.459 -18.332 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.376 7.975 -18.480 1.00 0.00 H new ATOM 24 N SER A 3 -16.482 9.718 -18.425 1.00 0.00 N ATOM 25 CA SER A 3 -15.242 10.449 -18.624 1.00 0.00 C ATOM 26 C SER A 3 -14.052 9.583 -18.210 1.00 0.00 C ATOM 27 O SER A 3 -14.228 8.450 -17.765 1.00 0.00 O ATOM 28 CB SER A 3 -15.243 11.761 -17.836 1.00 0.00 C ATOM 29 OG SER A 3 -15.290 12.898 -18.693 1.00 0.00 O ATOM 0 H SER A 3 -16.558 9.244 -17.525 1.00 0.00 H new ATOM 0 HA SER A 3 -15.155 10.693 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.100 11.779 -17.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.349 11.812 -17.215 1.00 0.00 H new ATOM 0 HG SER A 3 -15.291 13.715 -18.152 1.00 0.00 H new ATOM 35 N GLU A 4 -12.864 10.148 -18.373 1.00 0.00 N ATOM 36 CA GLU A 4 -11.645 9.441 -18.021 1.00 0.00 C ATOM 37 C GLU A 4 -11.834 8.674 -16.711 1.00 0.00 C ATOM 38 O GLU A 4 -12.694 9.021 -15.903 1.00 0.00 O ATOM 39 CB GLU A 4 -10.460 10.405 -17.926 1.00 0.00 C ATOM 40 CG GLU A 4 -10.657 11.405 -16.785 1.00 0.00 C ATOM 41 CD GLU A 4 -10.062 12.769 -17.143 1.00 0.00 C ATOM 42 OE1 GLU A 4 -9.003 12.769 -17.807 1.00 0.00 O ATOM 43 OE2 GLU A 4 -10.679 13.779 -16.744 1.00 0.00 O ATOM 0 H GLU A 4 -12.720 11.087 -18.744 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.425 8.723 -18.811 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.540 9.842 -17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.346 10.941 -18.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.720 11.513 -16.571 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.186 11.025 -15.878 1.00 0.00 H new ATOM 50 N VAL A 5 -11.015 7.647 -16.539 1.00 0.00 N ATOM 51 CA VAL A 5 -11.082 6.828 -15.341 1.00 0.00 C ATOM 52 C VAL A 5 -9.680 6.325 -14.994 1.00 0.00 C ATOM 53 O VAL A 5 -8.811 6.250 -15.861 1.00 0.00 O ATOM 54 CB VAL A 5 -12.092 5.695 -15.536 1.00 0.00 C ATOM 55 CG1 VAL A 5 -12.290 4.908 -14.239 1.00 0.00 C ATOM 56 CG2 VAL A 5 -13.426 6.234 -16.059 1.00 0.00 C ATOM 0 H VAL A 5 -10.301 7.363 -17.210 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.435 7.418 -14.495 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.689 5.012 -16.284 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.012 4.109 -14.405 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.339 4.478 -13.926 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.660 5.576 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.126 5.409 -16.189 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.835 6.948 -15.344 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.268 6.730 -17.017 1.00 0.00 H new ATOM 66 N SER A 6 -9.502 5.992 -13.724 1.00 0.00 N ATOM 67 CA SER A 6 -8.221 5.498 -13.251 1.00 0.00 C ATOM 68 C SER A 6 -7.316 6.671 -12.869 1.00 0.00 C ATOM 69 O SER A 6 -6.329 6.492 -12.157 1.00 0.00 O ATOM 70 CB SER A 6 -7.541 4.627 -14.310 1.00 0.00 C ATOM 71 OG SER A 6 -6.906 3.488 -13.738 1.00 0.00 O ATOM 0 H SER A 6 -10.225 6.055 -13.007 1.00 0.00 H new ATOM 0 HA SER A 6 -8.397 4.881 -12.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.281 4.300 -15.040 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.803 5.221 -14.848 1.00 0.00 H new ATOM 0 HG SER A 6 -6.773 3.635 -12.778 1.00 0.00 H new ATOM 77 N ASP A 7 -7.686 7.846 -13.358 1.00 0.00 N ATOM 78 CA ASP A 7 -6.920 9.048 -13.077 1.00 0.00 C ATOM 79 C ASP A 7 -7.644 9.869 -12.007 1.00 0.00 C ATOM 80 O ASP A 7 -7.048 10.747 -11.385 1.00 0.00 O ATOM 81 CB ASP A 7 -6.781 9.918 -14.327 1.00 0.00 C ATOM 82 CG ASP A 7 -5.461 9.757 -15.083 1.00 0.00 C ATOM 83 OD1 ASP A 7 -4.527 9.187 -14.479 1.00 0.00 O ATOM 84 OD2 ASP A 7 -5.416 10.207 -16.249 1.00 0.00 O ATOM 0 H ASP A 7 -8.506 7.991 -13.947 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.929 8.745 -12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.602 9.686 -15.006 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.892 10.963 -14.038 1.00 0.00 H new ATOM 89 N LYS A 8 -8.918 9.555 -11.827 1.00 0.00 N ATOM 90 CA LYS A 8 -9.729 10.253 -10.843 1.00 0.00 C ATOM 91 C LYS A 8 -9.359 9.761 -9.443 1.00 0.00 C ATOM 92 O LYS A 8 -8.731 10.485 -8.672 1.00 0.00 O ATOM 93 CB LYS A 8 -11.216 10.107 -11.174 1.00 0.00 C ATOM 94 CG LYS A 8 -11.445 10.122 -12.687 1.00 0.00 C ATOM 95 CD LYS A 8 -12.280 11.334 -13.102 1.00 0.00 C ATOM 96 CE LYS A 8 -13.664 10.904 -13.592 1.00 0.00 C ATOM 97 NZ LYS A 8 -14.665 11.956 -13.308 1.00 0.00 N ATOM 0 H LYS A 8 -9.409 8.827 -12.346 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.524 11.323 -10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.596 9.176 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.777 10.918 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.485 10.143 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.951 9.206 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.385 12.015 -12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.765 11.882 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.631 10.705 -14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.956 9.974 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.599 11.648 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.708 12.127 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.393 12.834 -13.794 1.00 0.00 H new ATOM 111 N ARG A 9 -9.765 8.532 -9.156 1.00 0.00 N ATOM 112 CA ARG A 9 -9.484 7.936 -7.861 1.00 0.00 C ATOM 113 C ARG A 9 -8.161 7.169 -7.905 1.00 0.00 C ATOM 114 O ARG A 9 -7.161 7.616 -7.346 1.00 0.00 O ATOM 115 CB ARG A 9 -10.605 6.982 -7.439 1.00 0.00 C ATOM 116 CG ARG A 9 -10.915 7.126 -5.947 1.00 0.00 C ATOM 117 CD ARG A 9 -9.914 6.336 -5.102 1.00 0.00 C ATOM 118 NE ARG A 9 -9.548 7.110 -3.894 1.00 0.00 N ATOM 119 CZ ARG A 9 -10.413 7.444 -2.926 1.00 0.00 C ATOM 120 NH1 ARG A 9 -11.697 7.075 -3.018 1.00 0.00 N ATOM 121 NH2 ARG A 9 -9.992 8.149 -1.867 1.00 0.00 N ATOM 0 H ARG A 9 -10.286 7.934 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.415 8.744 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.502 7.189 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.314 5.954 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.884 8.178 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.926 6.772 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.346 5.378 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.022 6.119 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.578 7.407 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.017 6.540 -3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.355 7.329 -2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.014 8.431 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.649 8.404 -1.130 1.00 0.00 H new ATOM 135 N THR A 10 -8.198 6.027 -8.575 1.00 0.00 N ATOM 136 CA THR A 10 -7.014 5.193 -8.700 1.00 0.00 C ATOM 137 C THR A 10 -7.236 4.108 -9.756 1.00 0.00 C ATOM 138 O THR A 10 -6.349 3.831 -10.562 1.00 0.00 O ATOM 139 CB THR A 10 -6.681 4.635 -7.315 1.00 0.00 C ATOM 140 OG1 THR A 10 -5.651 5.494 -6.834 1.00 0.00 O ATOM 141 CG2 THR A 10 -6.017 3.258 -7.383 1.00 0.00 C ATOM 0 H THR A 10 -9.029 5.659 -9.037 1.00 0.00 H new ATOM 0 HA THR A 10 -6.157 5.770 -9.048 1.00 0.00 H new ATOM 0 HB THR A 10 -7.592 4.569 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.943 6.427 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.802 2.908 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.688 2.554 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.088 3.330 -7.948 1.00 0.00 H new ATOM 149 N CYS A 11 -8.424 3.523 -9.718 1.00 0.00 N ATOM 150 CA CYS A 11 -8.773 2.474 -10.660 1.00 0.00 C ATOM 151 C CYS A 11 -10.138 2.807 -11.266 1.00 0.00 C ATOM 152 O CYS A 11 -10.554 3.965 -11.269 1.00 0.00 O ATOM 153 CB CYS A 11 -8.762 1.093 -10.000 1.00 0.00 C ATOM 154 SG CYS A 11 -10.200 0.748 -8.923 1.00 0.00 S ATOM 0 H CYS A 11 -9.158 3.756 -9.049 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.026 2.430 -11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.719 0.333 -10.780 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.851 0.995 -9.409 1.00 0.00 H new ATOM 159 N VAL A 12 -10.797 1.771 -11.764 1.00 0.00 N ATOM 160 CA VAL A 12 -12.106 1.939 -12.370 1.00 0.00 C ATOM 161 C VAL A 12 -13.188 1.661 -11.325 1.00 0.00 C ATOM 162 O VAL A 12 -13.749 2.589 -10.744 1.00 0.00 O ATOM 163 CB VAL A 12 -12.228 1.047 -13.608 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.616 1.172 -14.239 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.132 1.370 -14.626 1.00 0.00 C ATOM 0 H VAL A 12 -10.449 0.812 -11.760 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.239 2.966 -12.710 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.096 0.013 -13.290 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.676 0.528 -15.117 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.373 0.871 -13.515 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.789 2.207 -14.535 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.241 0.722 -15.496 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.219 2.411 -14.936 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.154 1.206 -14.172 1.00 0.00 H new ATOM 175 N SER A 13 -13.448 0.378 -11.116 1.00 0.00 N ATOM 176 CA SER A 13 -14.453 -0.034 -10.151 1.00 0.00 C ATOM 177 C SER A 13 -13.790 -0.787 -8.995 1.00 0.00 C ATOM 178 O SER A 13 -12.577 -0.704 -8.811 1.00 0.00 O ATOM 179 CB SER A 13 -15.524 -0.906 -10.808 1.00 0.00 C ATOM 180 OG SER A 13 -16.818 -0.317 -10.726 1.00 0.00 O ATOM 0 H SER A 13 -12.980 -0.389 -11.599 1.00 0.00 H new ATOM 0 HA SER A 13 -14.941 0.860 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.266 -1.070 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.540 -1.884 -10.327 1.00 0.00 H new ATOM 0 HG SER A 13 -17.473 -0.904 -11.158 1.00 0.00 H new ATOM 186 N LEU A 14 -14.616 -1.504 -8.248 1.00 0.00 N ATOM 187 CA LEU A 14 -14.125 -2.272 -7.115 1.00 0.00 C ATOM 188 C LEU A 14 -14.159 -3.762 -7.461 1.00 0.00 C ATOM 189 O LEU A 14 -15.227 -4.373 -7.482 1.00 0.00 O ATOM 190 CB LEU A 14 -14.906 -1.916 -5.848 1.00 0.00 C ATOM 191 CG LEU A 14 -14.409 -0.692 -5.077 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.341 -0.367 -3.907 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.961 -0.881 -4.620 1.00 0.00 C ATOM 0 H LEU A 14 -15.622 -1.570 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.086 -2.018 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.948 -1.750 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.885 -2.776 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.424 0.165 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.966 0.507 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.342 -0.159 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.380 -1.217 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.633 0.004 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.896 -1.753 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.321 -1.029 -5.490 1.00 0.00 H new ATOM 205 N THR A 15 -12.979 -4.303 -7.725 1.00 0.00 N ATOM 206 CA THR A 15 -12.860 -5.709 -8.068 1.00 0.00 C ATOM 207 C THR A 15 -13.396 -5.960 -9.480 1.00 0.00 C ATOM 208 O THR A 15 -12.964 -5.317 -10.435 1.00 0.00 O ATOM 209 CB THR A 15 -13.582 -6.522 -6.991 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.137 -5.947 -5.766 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.092 -7.970 -6.923 1.00 0.00 C ATOM 0 H THR A 15 -12.096 -3.792 -7.708 1.00 0.00 H new ATOM 0 HA THR A 15 -11.817 -6.024 -8.088 1.00 0.00 H new ATOM 0 HB THR A 15 -14.654 -6.511 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.558 -6.413 -5.014 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.637 -8.502 -6.143 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.264 -8.458 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.026 -7.983 -6.695 1.00 0.00 H new ATOM 219 N THR A 16 -14.329 -6.898 -9.566 1.00 0.00 N ATOM 220 CA THR A 16 -14.929 -7.241 -10.844 1.00 0.00 C ATOM 221 C THR A 16 -13.915 -7.969 -11.729 1.00 0.00 C ATOM 222 O THR A 16 -14.078 -8.026 -12.948 1.00 0.00 O ATOM 223 CB THR A 16 -15.472 -5.956 -11.472 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.717 -6.348 -12.043 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.642 -5.494 -12.671 1.00 0.00 C ATOM 0 H THR A 16 -14.684 -7.430 -8.772 1.00 0.00 H new ATOM 0 HA THR A 16 -15.761 -7.934 -10.718 1.00 0.00 H new ATOM 0 HB THR A 16 -15.495 -5.167 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.139 -5.574 -12.471 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.070 -4.579 -13.079 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.617 -5.304 -12.353 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.646 -6.269 -13.437 1.00 0.00 H new ATOM 233 N GLN A 17 -12.891 -8.506 -11.083 1.00 0.00 N ATOM 234 CA GLN A 17 -11.851 -9.229 -11.796 1.00 0.00 C ATOM 235 C GLN A 17 -10.887 -9.886 -10.807 1.00 0.00 C ATOM 236 O GLN A 17 -10.139 -9.198 -10.113 1.00 0.00 O ATOM 237 CB GLN A 17 -11.103 -8.303 -12.758 1.00 0.00 C ATOM 238 CG GLN A 17 -10.626 -9.068 -13.994 1.00 0.00 C ATOM 239 CD GLN A 17 -10.193 -8.105 -15.102 1.00 0.00 C ATOM 240 OE1 GLN A 17 -9.087 -7.594 -15.118 1.00 0.00 O ATOM 241 NE2 GLN A 17 -11.127 -7.889 -16.025 1.00 0.00 N ATOM 0 H GLN A 17 -12.759 -8.455 -10.073 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.321 -10.013 -12.389 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.755 -7.484 -13.062 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.248 -7.857 -12.249 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.793 -9.717 -13.725 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.426 -9.712 -14.359 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.034 -8.350 -15.951 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.936 -7.262 -16.807 1.00 0.00 H new ATOM 250 N ARG A 18 -10.935 -11.209 -10.773 1.00 0.00 N ATOM 251 CA ARG A 18 -10.075 -11.967 -9.881 1.00 0.00 C ATOM 252 C ARG A 18 -8.672 -12.094 -10.476 1.00 0.00 C ATOM 253 O ARG A 18 -8.364 -13.082 -11.141 1.00 0.00 O ATOM 254 CB ARG A 18 -10.642 -13.365 -9.625 1.00 0.00 C ATOM 255 CG ARG A 18 -10.687 -13.673 -8.127 1.00 0.00 C ATOM 256 CD ARG A 18 -10.484 -15.167 -7.868 1.00 0.00 C ATOM 257 NE ARG A 18 -11.573 -15.686 -7.010 1.00 0.00 N ATOM 258 CZ ARG A 18 -12.793 -16.008 -7.458 1.00 0.00 C ATOM 259 NH1 ARG A 18 -13.089 -15.867 -8.758 1.00 0.00 N ATOM 260 NH2 ARG A 18 -13.719 -16.470 -6.607 1.00 0.00 N ATOM 0 H ARG A 18 -11.557 -11.776 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.024 -11.429 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.645 -13.437 -10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.029 -14.109 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.914 -13.103 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.645 -13.356 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.466 -15.709 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.520 -15.333 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.382 -15.806 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.385 -15.514 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.018 -16.112 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.495 -16.576 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.648 -16.715 -6.948 1.00 0.00 H new ATOM 274 N LEU A 19 -7.859 -11.081 -10.216 1.00 0.00 N ATOM 275 CA LEU A 19 -6.496 -11.067 -10.718 1.00 0.00 C ATOM 276 C LEU A 19 -5.646 -12.044 -9.903 1.00 0.00 C ATOM 277 O LEU A 19 -5.776 -12.115 -8.682 1.00 0.00 O ATOM 278 CB LEU A 19 -5.945 -9.639 -10.736 1.00 0.00 C ATOM 279 CG LEU A 19 -5.607 -9.068 -12.114 1.00 0.00 C ATOM 280 CD1 LEU A 19 -6.817 -8.360 -12.727 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.383 -8.153 -12.042 1.00 0.00 C ATOM 0 H LEU A 19 -8.118 -10.264 -9.664 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.469 -11.407 -11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.675 -8.983 -10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.045 -9.610 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.352 -9.897 -12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.549 -7.963 -13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.637 -9.069 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.128 -7.542 -12.077 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.164 -7.760 -13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.586 -7.326 -11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.526 -8.720 -11.679 1.00 0.00 H new ATOM 293 N PRO A 20 -4.773 -12.791 -10.630 1.00 0.00 N ATOM 294 CA PRO A 20 -3.903 -13.761 -9.986 1.00 0.00 C ATOM 295 C PRO A 20 -2.753 -13.065 -9.256 1.00 0.00 C ATOM 296 O PRO A 20 -2.035 -12.258 -9.846 1.00 0.00 O ATOM 297 CB PRO A 20 -3.429 -14.670 -11.109 1.00 0.00 C ATOM 298 CG PRO A 20 -3.676 -13.904 -12.398 1.00 0.00 C ATOM 299 CD PRO A 20 -4.592 -12.734 -12.077 1.00 0.00 C ATOM 0 HA PRO A 20 -4.413 -14.336 -9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.372 -14.913 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.975 -15.613 -11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.735 -13.548 -12.817 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.133 -14.552 -13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.147 -11.787 -12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.545 -12.822 -12.599 1.00 0.00 H new ATOM 307 N VAL A 21 -2.613 -13.402 -7.982 1.00 0.00 N ATOM 308 CA VAL A 21 -1.562 -12.819 -7.165 1.00 0.00 C ATOM 309 C VAL A 21 -0.218 -12.982 -7.877 1.00 0.00 C ATOM 310 O VAL A 21 0.664 -12.135 -7.746 1.00 0.00 O ATOM 311 CB VAL A 21 -1.579 -13.444 -5.768 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.999 -14.860 -5.795 1.00 0.00 C ATOM 313 CG2 VAL A 21 -0.831 -12.564 -4.765 1.00 0.00 C ATOM 0 H VAL A 21 -3.210 -14.071 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.730 -11.750 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.617 -13.513 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.022 -15.282 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.592 -15.483 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.031 -14.825 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.858 -13.031 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.205 -12.449 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.306 -11.584 -4.715 1.00 0.00 H new ATOM 323 N SER A 22 -0.104 -14.077 -8.614 1.00 0.00 N ATOM 324 CA SER A 22 1.117 -14.362 -9.348 1.00 0.00 C ATOM 325 C SER A 22 1.404 -13.238 -10.345 1.00 0.00 C ATOM 326 O SER A 22 2.546 -13.046 -10.758 1.00 0.00 O ATOM 327 CB SER A 22 1.023 -15.705 -10.075 1.00 0.00 C ATOM 328 OG SER A 22 -0.240 -16.334 -9.872 1.00 0.00 O ATOM 0 H SER A 22 -0.838 -14.778 -8.719 1.00 0.00 H new ATOM 0 HA SER A 22 1.938 -14.423 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.185 -15.552 -11.142 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.817 -16.364 -9.724 1.00 0.00 H new ATOM 0 HG SER A 22 -0.262 -17.187 -10.353 1.00 0.00 H new ATOM 334 N ARG A 23 0.346 -12.524 -10.703 1.00 0.00 N ATOM 335 CA ARG A 23 0.469 -11.423 -11.643 1.00 0.00 C ATOM 336 C ARG A 23 0.525 -10.090 -10.896 1.00 0.00 C ATOM 337 O ARG A 23 0.983 -9.087 -11.442 1.00 0.00 O ATOM 338 CB ARG A 23 -0.706 -11.403 -12.624 1.00 0.00 C ATOM 339 CG ARG A 23 -0.247 -11.772 -14.036 1.00 0.00 C ATOM 340 CD ARG A 23 -0.208 -13.290 -14.221 1.00 0.00 C ATOM 341 NE ARG A 23 -0.641 -13.644 -15.591 1.00 0.00 N ATOM 342 CZ ARG A 23 0.177 -13.673 -16.653 1.00 0.00 C ATOM 343 NH1 ARG A 23 1.474 -13.369 -16.509 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.304 -14.005 -17.859 1.00 0.00 N ATOM 0 H ARG A 23 -0.600 -12.687 -10.359 1.00 0.00 H new ATOM 0 HA ARG A 23 1.393 -11.567 -12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.473 -12.103 -12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.160 -10.412 -12.633 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.922 -11.330 -14.769 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.742 -11.354 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.801 -13.661 -14.043 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.858 -13.771 -13.490 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.622 -13.881 -15.736 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.840 -13.115 -15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.096 -13.391 -17.317 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.292 -14.235 -17.968 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.318 -14.027 -18.667 1.00 0.00 H new ATOM 358 N ILE A 24 0.051 -10.121 -9.659 1.00 0.00 N ATOM 359 CA ILE A 24 0.042 -8.927 -8.831 1.00 0.00 C ATOM 360 C ILE A 24 1.418 -8.744 -8.190 1.00 0.00 C ATOM 361 O ILE A 24 2.089 -9.721 -7.860 1.00 0.00 O ATOM 362 CB ILE A 24 -1.105 -8.985 -7.820 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.409 -9.418 -8.494 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.255 -7.653 -7.083 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.379 -10.020 -7.475 1.00 0.00 C ATOM 0 H ILE A 24 -0.330 -10.954 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.145 -8.043 -9.441 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.863 -9.740 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.873 -8.560 -8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.194 -10.149 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.077 -7.722 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.332 -7.426 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.463 -6.861 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.297 -10.319 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.921 -10.892 -7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.610 -9.278 -6.711 1.00 0.00 H new ATOM 377 N LYS A 25 1.800 -7.485 -8.032 1.00 0.00 N ATOM 378 CA LYS A 25 3.085 -7.162 -7.435 1.00 0.00 C ATOM 379 C LYS A 25 2.891 -6.858 -5.949 1.00 0.00 C ATOM 380 O LYS A 25 3.262 -7.660 -5.093 1.00 0.00 O ATOM 381 CB LYS A 25 3.766 -6.032 -8.210 1.00 0.00 C ATOM 382 CG LYS A 25 5.287 -6.200 -8.201 1.00 0.00 C ATOM 383 CD LYS A 25 5.883 -5.724 -6.876 1.00 0.00 C ATOM 384 CE LYS A 25 6.699 -4.444 -7.070 1.00 0.00 C ATOM 385 NZ LYS A 25 8.144 -4.719 -6.899 1.00 0.00 N ATOM 0 H LYS A 25 1.242 -6.677 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 25 3.760 -8.015 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.404 -6.022 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.500 -5.072 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.542 -7.247 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.724 -5.635 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.084 -5.544 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.518 -6.505 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.516 -4.036 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.379 -3.689 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.677 -3.829 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.307 -5.150 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.464 -5.371 -7.643 1.00 0.00 H new ATOM 399 N THR A 26 2.309 -5.697 -5.686 1.00 0.00 N ATOM 400 CA THR A 26 2.061 -5.277 -4.317 1.00 0.00 C ATOM 401 C THR A 26 0.618 -4.790 -4.162 1.00 0.00 C ATOM 402 O THR A 26 -0.157 -4.820 -5.116 1.00 0.00 O ATOM 403 CB THR A 26 3.102 -4.218 -3.952 1.00 0.00 C ATOM 404 OG1 THR A 26 3.207 -4.310 -2.533 1.00 0.00 O ATOM 405 CG2 THR A 26 2.601 -2.794 -4.197 1.00 0.00 C ATOM 0 H THR A 26 2.002 -5.034 -6.398 1.00 0.00 H new ATOM 0 HA THR A 26 2.166 -6.110 -3.622 1.00 0.00 H new ATOM 0 HB THR A 26 4.010 -4.387 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.864 -3.658 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.379 -2.082 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.354 -2.672 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.712 -2.612 -3.593 1.00 0.00 H new ATOM 413 N TYR A 27 0.303 -4.353 -2.952 1.00 0.00 N ATOM 414 CA TYR A 27 -1.033 -3.860 -2.659 1.00 0.00 C ATOM 415 C TYR A 27 -0.982 -2.692 -1.672 1.00 0.00 C ATOM 416 O TYR A 27 -0.047 -2.583 -0.881 1.00 0.00 O ATOM 417 CB TYR A 27 -1.780 -5.027 -2.011 1.00 0.00 C ATOM 418 CG TYR A 27 -1.134 -5.542 -0.724 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.097 -6.166 -0.772 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.780 -5.386 0.484 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.707 -6.651 0.440 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.172 -5.871 1.696 1.00 0.00 C ATOM 423 CZ TYR A 27 0.042 -6.479 1.614 1.00 0.00 C ATOM 424 OH TYR A 27 0.617 -6.938 2.757 1.00 0.00 O ATOM 0 H TYR A 27 0.949 -4.330 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.519 -3.505 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.801 -4.715 -1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.843 -5.847 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.603 -6.291 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.743 -4.899 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.670 -7.140 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.668 -5.755 2.648 1.00 0.00 H new ATOM 0 HH TYR A 27 1.501 -7.308 2.553 1.00 0.00 H new ATOM 434 N THR A 28 -2.000 -1.848 -1.752 1.00 0.00 N ATOM 435 CA THR A 28 -2.083 -0.691 -0.876 1.00 0.00 C ATOM 436 C THR A 28 -3.500 -0.547 -0.316 1.00 0.00 C ATOM 437 O THR A 28 -4.466 -0.472 -1.074 1.00 0.00 O ATOM 438 CB THR A 28 -1.613 0.534 -1.664 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.310 0.797 -1.152 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.411 1.793 -1.319 1.00 0.00 C ATOM 0 H THR A 28 -2.774 -1.942 -2.409 1.00 0.00 H new ATOM 0 HA THR A 28 -1.434 -0.805 -0.008 1.00 0.00 H new ATOM 0 HB THR A 28 -1.697 0.333 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.070 1.576 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.038 2.633 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.464 1.630 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.301 2.014 -0.257 1.00 0.00 H new ATOM 448 N ILE A 29 -3.578 -0.512 1.006 1.00 0.00 N ATOM 449 CA ILE A 29 -4.860 -0.379 1.677 1.00 0.00 C ATOM 450 C ILE A 29 -4.948 1.002 2.329 1.00 0.00 C ATOM 451 O ILE A 29 -3.982 1.470 2.930 1.00 0.00 O ATOM 452 CB ILE A 29 -5.077 -1.536 2.653 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.123 -2.876 1.916 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.328 -1.307 3.505 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.241 -4.040 2.901 1.00 0.00 C ATOM 0 H ILE A 29 -2.774 -0.573 1.631 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.676 -0.444 0.957 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.226 -1.573 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.970 -2.889 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.222 -2.995 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.460 -2.144 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.216 -0.385 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.201 -1.229 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.272 -4.980 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.381 -4.039 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.155 -3.931 3.485 1.00 0.00 H new ATOM 467 N THR A 30 -6.115 1.615 2.189 1.00 0.00 N ATOM 468 CA THR A 30 -6.341 2.932 2.757 1.00 0.00 C ATOM 469 C THR A 30 -7.269 2.838 3.970 1.00 0.00 C ATOM 470 O THR A 30 -7.946 1.829 4.161 1.00 0.00 O ATOM 471 CB THR A 30 -6.881 3.839 1.649 1.00 0.00 C ATOM 472 OG1 THR A 30 -7.976 3.108 1.105 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.905 3.976 0.478 1.00 0.00 C ATOM 0 H THR A 30 -6.914 1.223 1.690 1.00 0.00 H new ATOM 0 HA THR A 30 -5.413 3.366 3.129 1.00 0.00 H new ATOM 0 HB THR A 30 -7.096 4.826 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.747 2.798 0.204 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.336 4.629 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.967 4.403 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.716 2.994 0.045 1.00 0.00 H new ATOM 481 N GLU A 31 -7.269 3.902 4.760 1.00 0.00 N ATOM 482 CA GLU A 31 -8.102 3.952 5.949 1.00 0.00 C ATOM 483 C GLU A 31 -9.130 5.079 5.830 1.00 0.00 C ATOM 484 O GLU A 31 -10.128 5.091 6.549 1.00 0.00 O ATOM 485 CB GLU A 31 -7.250 4.116 7.208 1.00 0.00 C ATOM 486 CG GLU A 31 -7.347 2.878 8.102 1.00 0.00 C ATOM 487 CD GLU A 31 -8.418 3.061 9.179 1.00 0.00 C ATOM 488 OE1 GLU A 31 -8.246 3.990 9.998 1.00 0.00 O ATOM 489 OE2 GLU A 31 -9.383 2.269 9.160 1.00 0.00 O ATOM 0 H GLU A 31 -6.705 4.736 4.599 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.638 3.007 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.210 4.286 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.579 4.995 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.583 2.004 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.382 2.688 8.572 1.00 0.00 H new ATOM 496 N GLY A 32 -8.850 5.998 4.918 1.00 0.00 N ATOM 497 CA GLY A 32 -9.739 7.127 4.697 1.00 0.00 C ATOM 498 C GLY A 32 -11.168 6.655 4.428 1.00 0.00 C ATOM 499 O GLY A 32 -11.490 5.486 4.635 1.00 0.00 O ATOM 0 H GLY A 32 -8.021 5.985 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.726 7.781 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.382 7.716 3.852 1.00 0.00 H new ATOM 503 N SER A 33 -11.990 7.588 3.970 1.00 0.00 N ATOM 504 CA SER A 33 -13.379 7.282 3.671 1.00 0.00 C ATOM 505 C SER A 33 -13.456 6.273 2.525 1.00 0.00 C ATOM 506 O SER A 33 -14.525 5.736 2.237 1.00 0.00 O ATOM 507 CB SER A 33 -14.157 8.551 3.315 1.00 0.00 C ATOM 508 OG SER A 33 -13.545 9.272 2.250 1.00 0.00 O ATOM 0 H SER A 33 -11.721 8.557 3.799 1.00 0.00 H new ATOM 0 HA SER A 33 -13.834 6.847 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.176 8.284 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.226 9.192 4.194 1.00 0.00 H new ATOM 0 HG SER A 33 -14.073 10.074 2.052 1.00 0.00 H new ATOM 514 N LEU A 34 -12.311 6.043 1.901 1.00 0.00 N ATOM 515 CA LEU A 34 -12.235 5.107 0.792 1.00 0.00 C ATOM 516 C LEU A 34 -12.100 3.686 1.340 1.00 0.00 C ATOM 517 O LEU A 34 -12.866 2.797 0.967 1.00 0.00 O ATOM 518 CB LEU A 34 -11.114 5.505 -0.170 1.00 0.00 C ATOM 519 CG LEU A 34 -10.452 4.360 -0.939 1.00 0.00 C ATOM 520 CD1 LEU A 34 -11.284 3.965 -2.160 1.00 0.00 C ATOM 521 CD2 LEU A 34 -9.012 4.714 -1.315 1.00 0.00 C ATOM 0 H LEU A 34 -11.426 6.489 2.143 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.152 5.137 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.517 6.216 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.344 6.028 0.397 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.409 3.489 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.790 3.149 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.274 3.642 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.382 4.822 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.564 3.884 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.008 5.605 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.436 4.906 -0.410 1.00 0.00 H new ATOM 533 N ARG A 35 -11.121 3.513 2.216 1.00 0.00 N ATOM 534 CA ARG A 35 -10.875 2.214 2.818 1.00 0.00 C ATOM 535 C ARG A 35 -11.089 1.102 1.788 1.00 0.00 C ATOM 536 O ARG A 35 -12.112 0.421 1.809 1.00 0.00 O ATOM 537 CB ARG A 35 -11.802 1.977 4.013 1.00 0.00 C ATOM 538 CG ARG A 35 -11.294 0.823 4.879 1.00 0.00 C ATOM 539 CD ARG A 35 -11.777 0.968 6.324 1.00 0.00 C ATOM 540 NE ARG A 35 -13.005 0.167 6.529 1.00 0.00 N ATOM 541 CZ ARG A 35 -13.418 -0.282 7.722 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.705 -0.012 8.823 1.00 0.00 N ATOM 543 NH2 ARG A 35 -14.546 -1.002 7.814 1.00 0.00 N ATOM 0 H ARG A 35 -10.488 4.252 2.523 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.842 2.199 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.868 2.885 4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.809 1.755 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.642 -0.125 4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.204 0.799 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.998 0.638 7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.975 2.016 6.547 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.572 -0.057 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.847 0.536 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.020 -0.354 9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.089 -1.208 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.860 -1.344 8.722 1.00 0.00 H new ATOM 557 N ALA A 36 -10.106 0.955 0.912 1.00 0.00 N ATOM 558 CA ALA A 36 -10.174 -0.062 -0.125 1.00 0.00 C ATOM 559 C ALA A 36 -8.785 -0.670 -0.327 1.00 0.00 C ATOM 560 O ALA A 36 -7.775 -0.039 -0.016 1.00 0.00 O ATOM 561 CB ALA A 36 -10.735 0.553 -1.408 1.00 0.00 C ATOM 0 H ALA A 36 -9.258 1.522 0.898 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.847 -0.867 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.786 -0.210 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.734 0.944 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.085 1.364 -1.737 1.00 0.00 H new ATOM 567 N VAL A 37 -8.777 -1.888 -0.847 1.00 0.00 N ATOM 568 CA VAL A 37 -7.529 -2.589 -1.096 1.00 0.00 C ATOM 569 C VAL A 37 -7.126 -2.401 -2.559 1.00 0.00 C ATOM 570 O VAL A 37 -7.842 -2.828 -3.463 1.00 0.00 O ATOM 571 CB VAL A 37 -7.665 -4.060 -0.696 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.370 -4.198 0.654 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.395 -4.856 -1.780 1.00 0.00 C ATOM 0 H VAL A 37 -9.616 -2.408 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.729 -2.173 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.662 -4.474 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.454 -5.253 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.794 -3.680 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.366 -3.760 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.479 -5.898 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.392 -4.440 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.835 -4.798 -2.713 1.00 0.00 H new ATOM 583 N ILE A 38 -5.980 -1.762 -2.748 1.00 0.00 N ATOM 584 CA ILE A 38 -5.473 -1.513 -4.086 1.00 0.00 C ATOM 585 C ILE A 38 -4.469 -2.606 -4.458 1.00 0.00 C ATOM 586 O ILE A 38 -3.582 -2.931 -3.672 1.00 0.00 O ATOM 587 CB ILE A 38 -4.907 -0.095 -4.189 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.958 0.946 -3.799 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.333 0.165 -5.583 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.005 1.108 -4.902 1.00 0.00 C ATOM 0 H ILE A 38 -5.388 -1.409 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.281 -1.562 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.085 -0.003 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.445 0.646 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.473 1.904 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.937 1.180 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.533 -0.547 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.120 0.048 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.740 1.854 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.518 1.432 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.505 0.154 -5.072 1.00 0.00 H new ATOM 602 N PHE A 39 -4.643 -3.141 -5.658 1.00 0.00 N ATOM 603 CA PHE A 39 -3.763 -4.189 -6.144 1.00 0.00 C ATOM 604 C PHE A 39 -2.919 -3.696 -7.321 1.00 0.00 C ATOM 605 O PHE A 39 -3.458 -3.316 -8.359 1.00 0.00 O ATOM 606 CB PHE A 39 -4.655 -5.338 -6.618 1.00 0.00 C ATOM 607 CG PHE A 39 -5.238 -6.182 -5.484 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.420 -6.960 -4.725 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.574 -6.155 -5.233 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.961 -7.744 -3.672 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.115 -6.940 -4.180 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.297 -7.718 -3.421 1.00 0.00 C ATOM 0 H PHE A 39 -5.381 -2.868 -6.308 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.084 -4.501 -5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.474 -4.928 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.077 -5.985 -7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.359 -6.981 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.224 -5.537 -5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.311 -8.361 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.176 -6.919 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.708 -8.314 -2.620 1.00 0.00 H new ATOM 622 N ILE A 40 -1.609 -3.716 -7.118 1.00 0.00 N ATOM 623 CA ILE A 40 -0.686 -3.276 -8.151 1.00 0.00 C ATOM 624 C ILE A 40 -0.090 -4.498 -8.851 1.00 0.00 C ATOM 625 O ILE A 40 0.348 -5.442 -8.195 1.00 0.00 O ATOM 626 CB ILE A 40 0.364 -2.331 -7.561 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.280 -1.320 -6.610 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.167 -1.646 -8.668 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.768 -0.370 -6.028 1.00 0.00 C ATOM 0 H ILE A 40 -1.166 -4.030 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.211 -2.699 -8.912 1.00 0.00 H new ATOM 0 HB ILE A 40 1.065 -2.923 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.039 -0.747 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.787 -1.847 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.906 -0.980 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.674 -2.400 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.494 -1.069 -9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.284 0.338 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.512 -0.944 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.256 0.173 -6.837 1.00 0.00 H new ATOM 641 N THR A 41 -0.092 -4.441 -10.175 1.00 0.00 N ATOM 642 CA THR A 41 0.443 -5.531 -10.972 1.00 0.00 C ATOM 643 C THR A 41 1.868 -5.210 -11.427 1.00 0.00 C ATOM 644 O THR A 41 2.316 -4.069 -11.318 1.00 0.00 O ATOM 645 CB THR A 41 -0.522 -5.788 -12.131 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.847 -4.484 -12.606 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.862 -6.359 -11.663 1.00 0.00 C ATOM 0 H THR A 41 -0.456 -3.656 -10.716 1.00 0.00 H new ATOM 0 HA THR A 41 0.521 -6.447 -10.387 1.00 0.00 H new ATOM 0 HB THR A 41 -0.063 -6.477 -12.840 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.640 -4.153 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.509 -6.522 -12.525 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.695 -7.306 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.339 -5.656 -10.980 1.00 0.00 H new ATOM 655 N LYS A 42 2.541 -6.236 -11.926 1.00 0.00 N ATOM 656 CA LYS A 42 3.906 -6.077 -12.399 1.00 0.00 C ATOM 657 C LYS A 42 3.949 -4.977 -13.461 1.00 0.00 C ATOM 658 O LYS A 42 4.804 -4.095 -13.412 1.00 0.00 O ATOM 659 CB LYS A 42 4.467 -7.417 -12.877 1.00 0.00 C ATOM 660 CG LYS A 42 5.584 -7.906 -11.953 1.00 0.00 C ATOM 661 CD LYS A 42 5.038 -8.255 -10.568 1.00 0.00 C ATOM 662 CE LYS A 42 4.064 -9.434 -10.645 1.00 0.00 C ATOM 663 NZ LYS A 42 4.730 -10.620 -11.226 1.00 0.00 N ATOM 0 H LYS A 42 2.167 -7.181 -12.013 1.00 0.00 H new ATOM 0 HA LYS A 42 4.557 -5.758 -11.585 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.668 -8.158 -12.911 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.850 -7.313 -13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.064 -8.782 -12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.349 -7.135 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.863 -8.503 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.533 -7.388 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.691 -9.671 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.201 -9.161 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.146 -11.464 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.852 -10.483 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.661 -10.748 -10.781 1.00 0.00 H new ATOM 677 N ARG A 43 3.016 -5.066 -14.397 1.00 0.00 N ATOM 678 CA ARG A 43 2.937 -4.091 -15.470 1.00 0.00 C ATOM 679 C ARG A 43 2.885 -2.673 -14.896 1.00 0.00 C ATOM 680 O ARG A 43 3.212 -1.708 -15.584 1.00 0.00 O ATOM 681 CB ARG A 43 1.699 -4.326 -16.340 1.00 0.00 C ATOM 682 CG ARG A 43 2.094 -4.801 -17.739 1.00 0.00 C ATOM 683 CD ARG A 43 1.495 -6.176 -18.041 1.00 0.00 C ATOM 684 NE ARG A 43 2.568 -7.193 -18.109 1.00 0.00 N ATOM 685 CZ ARG A 43 3.534 -7.204 -19.038 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.567 -6.254 -19.983 1.00 0.00 N ATOM 687 NH2 ARG A 43 4.467 -8.166 -19.023 1.00 0.00 N ATOM 0 H ARG A 43 2.308 -5.799 -14.434 1.00 0.00 H new ATOM 0 HA ARG A 43 3.828 -4.206 -16.087 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.055 -5.068 -15.869 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.122 -3.404 -16.414 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.752 -4.080 -18.482 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.180 -4.848 -17.818 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.776 -6.446 -17.268 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.952 -6.145 -18.985 1.00 0.00 H new ATOM 0 HE ARG A 43 2.573 -7.931 -17.405 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.857 -5.522 -19.995 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.302 -6.263 -20.690 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.442 -8.890 -18.305 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.202 -8.174 -19.730 1.00 0.00 H new ATOM 701 N GLY A 44 2.471 -2.593 -13.640 1.00 0.00 N ATOM 702 CA GLY A 44 2.372 -1.310 -12.965 1.00 0.00 C ATOM 703 C GLY A 44 0.918 -0.840 -12.891 1.00 0.00 C ATOM 704 O GLY A 44 0.644 0.276 -12.451 1.00 0.00 O ATOM 0 H GLY A 44 2.200 -3.396 -13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.783 -1.392 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.971 -0.569 -13.495 1.00 0.00 H new ATOM 708 N LEU A 45 0.024 -1.715 -13.326 1.00 0.00 N ATOM 709 CA LEU A 45 -1.395 -1.404 -13.315 1.00 0.00 C ATOM 710 C LEU A 45 -1.952 -1.631 -11.908 1.00 0.00 C ATOM 711 O LEU A 45 -1.862 -2.735 -11.371 1.00 0.00 O ATOM 712 CB LEU A 45 -2.126 -2.196 -14.400 1.00 0.00 C ATOM 713 CG LEU A 45 -2.602 -1.392 -15.612 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.465 -2.207 -16.899 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.029 -0.881 -15.406 1.00 0.00 C ATOM 0 H LEU A 45 0.255 -2.640 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.556 -0.353 -13.557 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.465 -2.988 -14.751 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.991 -2.680 -13.948 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.959 -0.518 -15.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.810 -1.612 -17.745 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.420 -2.478 -17.048 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.067 -3.112 -16.822 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.342 -0.313 -16.282 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.701 -1.727 -15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.062 -0.238 -14.526 1.00 0.00 H new ATOM 727 N LYS A 46 -2.515 -0.570 -11.349 1.00 0.00 N ATOM 728 CA LYS A 46 -3.085 -0.640 -10.014 1.00 0.00 C ATOM 729 C LYS A 46 -4.611 -0.630 -10.117 1.00 0.00 C ATOM 730 O LYS A 46 -5.181 0.140 -10.888 1.00 0.00 O ATOM 731 CB LYS A 46 -2.520 0.474 -9.131 1.00 0.00 C ATOM 732 CG LYS A 46 -3.315 1.770 -9.307 1.00 0.00 C ATOM 733 CD LYS A 46 -2.634 2.933 -8.583 1.00 0.00 C ATOM 734 CE LYS A 46 -2.698 2.747 -7.066 1.00 0.00 C ATOM 735 NZ LYS A 46 -2.926 4.047 -6.395 1.00 0.00 N ATOM 0 H LYS A 46 -2.589 0.344 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.803 -1.573 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.549 0.165 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.474 0.648 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.409 2.002 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.325 1.637 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.594 3.005 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.117 3.871 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.500 2.054 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.769 2.304 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.085 3.890 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.093 4.656 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.761 4.510 -6.809 1.00 0.00 H new ATOM 749 N VAL A 47 -5.232 -1.494 -9.325 1.00 0.00 N ATOM 750 CA VAL A 47 -6.680 -1.594 -9.317 1.00 0.00 C ATOM 751 C VAL A 47 -7.189 -1.447 -7.881 1.00 0.00 C ATOM 752 O VAL A 47 -6.396 -1.346 -6.946 1.00 0.00 O ATOM 753 CB VAL A 47 -7.119 -2.904 -9.975 1.00 0.00 C ATOM 754 CG1 VAL A 47 -6.936 -4.085 -9.019 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.565 -2.814 -10.467 1.00 0.00 C ATOM 0 H VAL A 47 -4.757 -2.130 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.121 -0.788 -9.903 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.481 -3.073 -10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.255 -5.004 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.885 -4.168 -8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.537 -3.925 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.851 -3.758 -10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.224 -2.609 -9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.651 -2.010 -11.198 1.00 0.00 H new ATOM 765 N CYS A 48 -8.508 -1.440 -7.752 1.00 0.00 N ATOM 766 CA CYS A 48 -9.131 -1.307 -6.446 1.00 0.00 C ATOM 767 C CYS A 48 -10.015 -2.533 -6.209 1.00 0.00 C ATOM 768 O CYS A 48 -10.524 -3.128 -7.156 1.00 0.00 O ATOM 769 CB CYS A 48 -9.922 -0.003 -6.327 1.00 0.00 C ATOM 770 SG CYS A 48 -9.243 1.397 -7.293 1.00 0.00 S ATOM 0 H CYS A 48 -9.162 -1.524 -8.530 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.361 -1.260 -5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.947 -0.185 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.965 0.285 -5.277 1.00 0.00 H new ATOM 775 N ALA A 49 -10.168 -2.874 -4.938 1.00 0.00 N ATOM 776 CA ALA A 49 -10.982 -4.019 -4.563 1.00 0.00 C ATOM 777 C ALA A 49 -11.537 -3.806 -3.153 1.00 0.00 C ATOM 778 O ALA A 49 -10.951 -3.075 -2.356 1.00 0.00 O ATOM 779 CB ALA A 49 -10.147 -5.296 -4.674 1.00 0.00 C ATOM 0 H ALA A 49 -9.743 -2.378 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.831 -4.124 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.757 -6.155 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.801 -5.417 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.287 -5.228 -4.007 1.00 0.00 H new ATOM 785 N ASP A 50 -12.660 -4.456 -2.890 1.00 0.00 N ATOM 786 CA ASP A 50 -13.301 -4.347 -1.590 1.00 0.00 C ATOM 787 C ASP A 50 -12.675 -5.361 -0.631 1.00 0.00 C ATOM 788 O ASP A 50 -12.543 -6.538 -0.965 1.00 0.00 O ATOM 789 CB ASP A 50 -14.797 -4.649 -1.687 1.00 0.00 C ATOM 790 CG ASP A 50 -15.712 -3.427 -1.583 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.459 -2.605 -0.676 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.643 -3.342 -2.412 1.00 0.00 O ATOM 0 H ASP A 50 -13.143 -5.060 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.162 -3.328 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.990 -5.149 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.063 -5.351 -0.897 1.00 0.00 H new ATOM 797 N PRO A 51 -12.296 -4.856 0.574 1.00 0.00 N ATOM 798 CA PRO A 51 -11.687 -5.704 1.584 1.00 0.00 C ATOM 799 C PRO A 51 -12.734 -6.601 2.250 1.00 0.00 C ATOM 800 O PRO A 51 -12.411 -7.374 3.151 1.00 0.00 O ATOM 801 CB PRO A 51 -11.023 -4.744 2.556 1.00 0.00 C ATOM 802 CG PRO A 51 -11.673 -3.391 2.316 1.00 0.00 C ATOM 803 CD PRO A 51 -12.437 -3.468 1.004 1.00 0.00 C ATOM 0 HA PRO A 51 -10.955 -6.396 1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.168 -5.069 3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.948 -4.696 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.346 -3.140 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.917 -2.607 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.485 -3.200 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.025 -2.781 0.265 1.00 0.00 H new ATOM 811 N GLN A 52 -13.965 -6.467 1.780 1.00 0.00 N ATOM 812 CA GLN A 52 -15.061 -7.255 2.319 1.00 0.00 C ATOM 813 C GLN A 52 -15.071 -8.650 1.690 1.00 0.00 C ATOM 814 O GLN A 52 -15.714 -9.563 2.206 1.00 0.00 O ATOM 815 CB GLN A 52 -16.401 -6.548 2.108 1.00 0.00 C ATOM 816 CG GLN A 52 -17.397 -6.921 3.208 1.00 0.00 C ATOM 817 CD GLN A 52 -17.613 -5.751 4.170 1.00 0.00 C ATOM 818 OE1 GLN A 52 -16.680 -5.148 4.676 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.892 -5.463 4.393 1.00 0.00 N ATOM 0 H GLN A 52 -14.228 -5.825 1.032 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.911 -7.363 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.249 -5.469 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.810 -6.819 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.348 -7.209 2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.029 -7.787 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.624 -6.007 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.141 -4.698 5.020 1.00 0.00 H new ATOM 828 N ALA A 53 -14.351 -8.771 0.585 1.00 0.00 N ATOM 829 CA ALA A 53 -14.269 -10.039 -0.120 1.00 0.00 C ATOM 830 C ALA A 53 -13.193 -10.910 0.530 1.00 0.00 C ATOM 831 O ALA A 53 -12.078 -10.448 0.775 1.00 0.00 O ATOM 832 CB ALA A 53 -13.993 -9.781 -1.603 1.00 0.00 C ATOM 0 H ALA A 53 -13.819 -8.012 0.160 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.214 -10.578 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.931 -10.732 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.801 -9.183 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.050 -9.245 -1.710 1.00 0.00 H new ATOM 838 N THR A 54 -13.562 -12.155 0.791 1.00 0.00 N ATOM 839 CA THR A 54 -12.642 -13.096 1.407 1.00 0.00 C ATOM 840 C THR A 54 -11.531 -13.477 0.426 1.00 0.00 C ATOM 841 O THR A 54 -10.374 -13.621 0.819 1.00 0.00 O ATOM 842 CB THR A 54 -13.452 -14.295 1.903 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.019 -13.847 3.131 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.566 -15.474 2.310 1.00 0.00 C ATOM 0 H THR A 54 -14.487 -12.535 0.587 1.00 0.00 H new ATOM 0 HA THR A 54 -12.137 -12.650 2.264 1.00 0.00 H new ATOM 0 HB THR A 54 -14.143 -14.613 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.563 -14.563 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.192 -16.298 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.977 -15.799 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.897 -15.166 3.114 1.00 0.00 H new ATOM 852 N TRP A 55 -11.922 -13.629 -0.831 1.00 0.00 N ATOM 853 CA TRP A 55 -10.974 -13.991 -1.870 1.00 0.00 C ATOM 854 C TRP A 55 -9.902 -12.900 -1.933 1.00 0.00 C ATOM 855 O TRP A 55 -8.722 -13.195 -2.109 1.00 0.00 O ATOM 856 CB TRP A 55 -11.684 -14.208 -3.208 1.00 0.00 C ATOM 857 CG TRP A 55 -11.754 -12.957 -4.086 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.798 -12.137 -4.272 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.690 -12.413 -4.896 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.486 -11.109 -5.139 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.163 -11.283 -5.529 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.371 -12.862 -5.085 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.383 -10.506 -6.396 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.605 -12.077 -5.953 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.066 -10.934 -6.599 1.00 0.00 C ATOM 0 H TRP A 55 -12.882 -13.508 -1.153 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.492 -14.941 -1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.169 -14.996 -3.757 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.697 -14.562 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.762 -12.265 -3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.111 -10.360 -5.438 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.980 -13.743 -4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.777 -9.625 -6.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.584 -12.379 -6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.410 -10.380 -7.254 1.00 0.00 H new ATOM 876 N VAL A 56 -10.353 -11.662 -1.786 1.00 0.00 N ATOM 877 CA VAL A 56 -9.448 -10.527 -1.822 1.00 0.00 C ATOM 878 C VAL A 56 -8.543 -10.561 -0.589 1.00 0.00 C ATOM 879 O VAL A 56 -7.327 -10.418 -0.703 1.00 0.00 O ATOM 880 CB VAL A 56 -10.244 -9.226 -1.945 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.376 -8.017 -1.594 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.846 -9.083 -3.344 1.00 0.00 C ATOM 0 H VAL A 56 -11.334 -11.421 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.803 -10.581 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.065 -9.266 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.966 -7.105 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.018 -8.112 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.525 -7.971 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.407 -8.150 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.047 -9.075 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.514 -9.922 -3.540 1.00 0.00 H new ATOM 892 N ARG A 57 -9.173 -10.750 0.561 1.00 0.00 N ATOM 893 CA ARG A 57 -8.440 -10.804 1.814 1.00 0.00 C ATOM 894 C ARG A 57 -7.450 -11.970 1.801 1.00 0.00 C ATOM 895 O ARG A 57 -6.369 -11.878 2.382 1.00 0.00 O ATOM 896 CB ARG A 57 -9.391 -10.966 3.003 1.00 0.00 C ATOM 897 CG ARG A 57 -9.411 -9.703 3.866 1.00 0.00 C ATOM 898 CD ARG A 57 -10.420 -9.836 5.008 1.00 0.00 C ATOM 899 NE ARG A 57 -9.710 -10.074 6.285 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.265 -10.657 7.356 1.00 0.00 C ATOM 901 NH1 ARG A 57 -11.540 -11.066 7.310 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.545 -10.833 8.472 1.00 0.00 N ATOM 0 H ARG A 57 -10.182 -10.868 0.651 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.899 -9.864 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.397 -11.180 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.081 -11.819 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.417 -9.521 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.665 -8.841 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.022 -8.930 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.106 -10.659 4.805 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.737 -9.775 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.088 -10.933 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.963 -11.510 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.574 -10.523 8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.968 -11.277 9.287 1.00 0.00 H new ATOM 916 N ASP A 58 -7.852 -13.040 1.131 1.00 0.00 N ATOM 917 CA ASP A 58 -7.013 -14.221 1.034 1.00 0.00 C ATOM 918 C ASP A 58 -5.803 -13.912 0.150 1.00 0.00 C ATOM 919 O ASP A 58 -4.676 -14.275 0.486 1.00 0.00 O ATOM 920 CB ASP A 58 -7.775 -15.387 0.399 1.00 0.00 C ATOM 921 CG ASP A 58 -7.372 -16.775 0.902 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.708 -16.823 1.960 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.736 -17.754 0.219 1.00 0.00 O ATOM 0 H ASP A 58 -8.748 -13.113 0.650 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.703 -14.497 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.841 -15.247 0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.629 -15.352 -0.681 1.00 0.00 H new ATOM 928 N VAL A 59 -6.076 -13.243 -0.960 1.00 0.00 N ATOM 929 CA VAL A 59 -5.024 -12.880 -1.893 1.00 0.00 C ATOM 930 C VAL A 59 -4.088 -11.866 -1.231 1.00 0.00 C ATOM 931 O VAL A 59 -2.878 -11.901 -1.445 1.00 0.00 O ATOM 932 CB VAL A 59 -5.636 -12.365 -3.198 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.695 -11.378 -3.893 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.998 -13.524 -4.128 1.00 0.00 C ATOM 0 H VAL A 59 -7.011 -12.943 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.426 -13.754 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.555 -11.834 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.154 -11.027 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.508 -10.529 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.752 -11.874 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.431 -13.131 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.100 -14.095 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.721 -14.174 -3.635 1.00 0.00 H new ATOM 944 N VAL A 60 -4.685 -10.987 -0.440 1.00 0.00 N ATOM 945 CA VAL A 60 -3.919 -9.966 0.255 1.00 0.00 C ATOM 946 C VAL A 60 -2.878 -10.637 1.153 1.00 0.00 C ATOM 947 O VAL A 60 -1.741 -10.176 1.243 1.00 0.00 O ATOM 948 CB VAL A 60 -4.863 -9.038 1.024 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.077 -8.062 1.901 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.795 -8.290 0.069 1.00 0.00 C ATOM 0 H VAL A 60 -5.689 -10.960 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.379 -9.342 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.480 -9.654 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.771 -7.414 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.475 -8.621 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.424 -7.455 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.455 -7.638 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.203 -7.691 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.392 -9.008 -0.493 1.00 0.00 H new ATOM 960 N ARG A 61 -3.304 -11.716 1.794 1.00 0.00 N ATOM 961 CA ARG A 61 -2.422 -12.456 2.681 1.00 0.00 C ATOM 962 C ARG A 61 -1.182 -12.932 1.922 1.00 0.00 C ATOM 963 O ARG A 61 -0.063 -12.820 2.420 1.00 0.00 O ATOM 964 CB ARG A 61 -3.137 -13.665 3.286 1.00 0.00 C ATOM 965 CG ARG A 61 -2.298 -14.300 4.396 1.00 0.00 C ATOM 966 CD ARG A 61 -1.311 -15.319 3.822 1.00 0.00 C ATOM 967 NE ARG A 61 -1.682 -16.683 4.256 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.321 -17.802 3.612 1.00 0.00 C ATOM 969 NH1 ARG A 61 -0.575 -17.723 2.501 1.00 0.00 N ATOM 970 NH2 ARG A 61 -1.703 -18.999 4.079 1.00 0.00 N ATOM 0 H ARG A 61 -4.248 -12.095 1.717 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.123 -11.785 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.103 -13.358 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.334 -14.402 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.754 -13.524 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.953 -14.789 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.310 -15.263 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.300 -15.085 4.155 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.249 -16.779 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.283 -16.812 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.300 -18.574 2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.269 -19.059 4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.428 -19.850 3.588 1.00 0.00 H new ATOM 984 N SER A 62 -1.423 -13.453 0.728 1.00 0.00 N ATOM 985 CA SER A 62 -0.340 -13.947 -0.106 1.00 0.00 C ATOM 986 C SER A 62 0.452 -12.773 -0.686 1.00 0.00 C ATOM 987 O SER A 62 1.681 -12.797 -0.703 1.00 0.00 O ATOM 988 CB SER A 62 -0.872 -14.836 -1.231 1.00 0.00 C ATOM 989 OG SER A 62 0.106 -15.767 -1.685 1.00 0.00 O ATOM 0 H SER A 62 -2.353 -13.544 0.318 1.00 0.00 H new ATOM 0 HA SER A 62 0.321 -14.551 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.751 -15.376 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.193 -14.212 -2.065 1.00 0.00 H new ATOM 0 HG SER A 62 -0.274 -16.317 -2.402 1.00 0.00 H new ATOM 995 N MET A 63 -0.286 -11.772 -1.145 1.00 0.00 N ATOM 996 CA MET A 63 0.331 -10.592 -1.725 1.00 0.00 C ATOM 997 C MET A 63 1.556 -10.161 -0.915 1.00 0.00 C ATOM 998 O MET A 63 2.526 -9.651 -1.474 1.00 0.00 O ATOM 999 CB MET A 63 -0.686 -9.449 -1.760 1.00 0.00 C ATOM 1000 CG MET A 63 -1.588 -9.556 -2.991 1.00 0.00 C ATOM 1001 SD MET A 63 -0.605 -9.470 -4.479 1.00 0.00 S ATOM 1002 CE MET A 63 0.230 -7.916 -4.209 1.00 0.00 C ATOM 0 H MET A 63 -1.306 -11.755 -1.127 1.00 0.00 H new ATOM 0 HA MET A 63 0.654 -10.834 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.294 -9.471 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.163 -8.492 -1.770 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.142 -10.494 -2.965 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.323 -8.751 -2.984 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.505 -7.479 -5.169 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.433 -7.234 -3.677 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.129 -8.084 -3.616 1.00 0.00 H new ATOM 1012 N ASP A 64 1.472 -10.383 0.388 1.00 0.00 N ATOM 1013 CA ASP A 64 2.561 -10.023 1.280 1.00 0.00 C ATOM 1014 C ASP A 64 3.810 -10.820 0.899 1.00 0.00 C ATOM 1015 O ASP A 64 4.900 -10.258 0.791 1.00 0.00 O ATOM 1016 CB ASP A 64 2.215 -10.354 2.734 1.00 0.00 C ATOM 1017 CG ASP A 64 2.859 -9.439 3.776 1.00 0.00 C ATOM 1018 OD1 ASP A 64 3.078 -8.256 3.436 1.00 0.00 O ATOM 1019 OD2 ASP A 64 3.119 -9.943 4.890 1.00 0.00 O ATOM 0 H ASP A 64 0.667 -10.808 0.848 1.00 0.00 H new ATOM 0 HA ASP A 64 2.734 -8.951 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.132 -10.310 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.517 -11.381 2.939 1.00 0.00 H new ATOM 1024 N ARG A 65 3.611 -12.116 0.706 1.00 0.00 N ATOM 1025 CA ARG A 65 4.708 -12.995 0.339 1.00 0.00 C ATOM 1026 C ARG A 65 5.144 -12.726 -1.103 1.00 0.00 C ATOM 1027 O ARG A 65 6.307 -12.924 -1.451 1.00 0.00 O ATOM 1028 CB ARG A 65 4.306 -14.464 0.478 1.00 0.00 C ATOM 1029 CG ARG A 65 3.824 -15.029 -0.859 1.00 0.00 C ATOM 1030 CD ARG A 65 3.223 -16.425 -0.680 1.00 0.00 C ATOM 1031 NE ARG A 65 4.006 -17.417 -1.451 1.00 0.00 N ATOM 1032 CZ ARG A 65 4.143 -17.393 -2.784 1.00 0.00 C ATOM 1033 NH1 ARG A 65 3.550 -16.429 -3.501 1.00 0.00 N ATOM 1034 NH2 ARG A 65 4.872 -18.333 -3.400 1.00 0.00 N ATOM 0 H ARG A 65 2.706 -12.578 0.797 1.00 0.00 H new ATOM 0 HA ARG A 65 5.537 -12.792 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.156 -15.045 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.516 -14.560 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.079 -14.362 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.657 -15.075 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.218 -16.695 0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.186 -16.429 -1.015 1.00 0.00 H new ATOM 0 HE ARG A 65 4.470 -18.165 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.994 -15.713 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.654 -16.411 -4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.323 -19.067 -2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.976 -18.314 -4.415 1.00 0.00 H new ATOM 1048 N LYS A 66 4.187 -12.280 -1.903 1.00 0.00 N ATOM 1049 CA LYS A 66 4.458 -11.982 -3.299 1.00 0.00 C ATOM 1050 C LYS A 66 5.415 -10.793 -3.387 1.00 0.00 C ATOM 1051 O LYS A 66 6.275 -10.746 -4.266 1.00 0.00 O ATOM 1052 CB LYS A 66 3.149 -11.777 -4.067 1.00 0.00 C ATOM 1053 CG LYS A 66 3.419 -11.254 -5.479 1.00 0.00 C ATOM 1054 CD LYS A 66 3.610 -12.409 -6.464 1.00 0.00 C ATOM 1055 CE LYS A 66 4.921 -12.259 -7.237 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.855 -13.354 -6.890 1.00 0.00 N ATOM 0 H LYS A 66 3.223 -12.118 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 66 4.954 -12.826 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.604 -12.719 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.514 -11.073 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.588 -10.628 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.309 -10.625 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.608 -13.356 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.773 -12.438 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.722 -12.269 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.378 -11.297 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.740 -13.237 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.059 -13.326 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.423 -14.269 -7.132 1.00 0.00 H new ATOM 1070 N SER A 67 5.235 -9.860 -2.463 1.00 0.00 N ATOM 1071 CA SER A 67 6.073 -8.673 -2.425 1.00 0.00 C ATOM 1072 C SER A 67 6.896 -8.655 -1.136 1.00 0.00 C ATOM 1073 O SER A 67 7.053 -7.608 -0.509 1.00 0.00 O ATOM 1074 CB SER A 67 5.230 -7.400 -2.534 1.00 0.00 C ATOM 1075 OG SER A 67 6.002 -6.226 -2.293 1.00 0.00 O ATOM 0 H SER A 67 4.522 -9.902 -1.735 1.00 0.00 H new ATOM 0 HA SER A 67 6.749 -8.704 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.785 -7.344 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.409 -7.447 -1.819 1.00 0.00 H new ATOM 0 HG SER A 67 6.470 -6.313 -1.437 1.00 0.00 H new ATOM 1081 N ASN A 68 7.402 -9.826 -0.778 1.00 0.00 N ATOM 1082 CA ASN A 68 8.206 -9.959 0.425 1.00 0.00 C ATOM 1083 C ASN A 68 9.687 -9.846 0.059 1.00 0.00 C ATOM 1084 O ASN A 68 10.414 -9.043 0.643 1.00 0.00 O ATOM 1085 CB ASN A 68 7.985 -11.320 1.088 1.00 0.00 C ATOM 1086 CG ASN A 68 7.351 -11.160 2.471 1.00 0.00 C ATOM 1087 OD1 ASN A 68 7.142 -10.064 2.964 1.00 0.00 O ATOM 1088 ND2 ASN A 68 7.060 -12.312 3.069 1.00 0.00 N ATOM 0 H ASN A 68 7.271 -10.692 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 68 7.911 -9.169 1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.342 -11.935 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.937 -11.843 1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.636 -12.312 3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.261 -13.195 2.600 1.00 0.00 H new ATOM 1095 N THR A 69 10.088 -10.660 -0.906 1.00 0.00 N ATOM 1096 CA THR A 69 11.470 -10.660 -1.358 1.00 0.00 C ATOM 1097 C THR A 69 11.674 -9.609 -2.450 1.00 0.00 C ATOM 1098 O THR A 69 12.710 -8.946 -2.492 1.00 0.00 O ATOM 1099 CB THR A 69 11.819 -12.080 -1.807 1.00 0.00 C ATOM 1100 OG1 THR A 69 12.248 -12.727 -0.613 1.00 0.00 O ATOM 1101 CG2 THR A 69 13.048 -12.121 -2.717 1.00 0.00 C ATOM 0 H THR A 69 9.481 -11.324 -1.387 1.00 0.00 H new ATOM 0 HA THR A 69 12.150 -10.382 -0.553 1.00 0.00 H new ATOM 0 HB THR A 69 10.967 -12.515 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.492 -13.655 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.252 -13.152 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.860 -11.524 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.909 -11.717 -2.184 1.00 0.00 H new ATOM 1109 N ARG A 70 10.671 -9.488 -3.307 1.00 0.00 N ATOM 1110 CA ARG A 70 10.728 -8.530 -4.397 1.00 0.00 C ATOM 1111 C ARG A 70 11.335 -7.211 -3.912 1.00 0.00 C ATOM 1112 O ARG A 70 12.252 -6.679 -4.536 1.00 0.00 O ATOM 1113 CB ARG A 70 9.335 -8.262 -4.969 1.00 0.00 C ATOM 1114 CG ARG A 70 9.367 -8.229 -6.497 1.00 0.00 C ATOM 1115 CD ARG A 70 8.223 -9.057 -7.088 1.00 0.00 C ATOM 1116 NE ARG A 70 8.759 -10.062 -8.032 1.00 0.00 N ATOM 1117 CZ ARG A 70 9.338 -9.758 -9.202 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.459 -8.478 -9.578 1.00 0.00 N ATOM 1119 NH2 ARG A 70 9.797 -10.736 -9.996 1.00 0.00 N ATOM 0 H ARG A 70 9.813 -10.039 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 70 11.354 -8.956 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.645 -9.036 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.959 -7.312 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.291 -7.198 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.322 -8.616 -6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.673 -9.554 -6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.518 -8.403 -7.602 1.00 0.00 H new ATOM 0 HE ARG A 70 8.683 -11.047 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.110 -7.734 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.900 -8.248 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.705 -11.711 -9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.238 -10.505 -10.886 1.00 0.00 H new ATOM 1133 N ASN A 71 10.799 -6.722 -2.803 1.00 0.00 N ATOM 1134 CA ASN A 71 11.275 -5.476 -2.227 1.00 0.00 C ATOM 1135 C ASN A 71 12.801 -5.422 -2.332 1.00 0.00 C ATOM 1136 O ASN A 71 13.469 -6.453 -2.264 1.00 0.00 O ATOM 1137 CB ASN A 71 10.900 -5.374 -0.747 1.00 0.00 C ATOM 1138 CG ASN A 71 10.926 -3.920 -0.275 1.00 0.00 C ATOM 1139 OD1 ASN A 71 11.062 -2.989 -1.052 1.00 0.00 O ATOM 1140 ND2 ASN A 71 10.788 -3.775 1.040 1.00 0.00 N ATOM 0 H ASN A 71 10.039 -7.167 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 71 10.813 -4.654 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.906 -5.793 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.594 -5.966 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.792 -2.843 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.678 -4.596 1.635 1.00 0.00 H new ATOM 1147 N ASN A 72 13.308 -4.209 -2.498 1.00 0.00 N ATOM 1148 CA ASN A 72 14.743 -4.007 -2.613 1.00 0.00 C ATOM 1149 C ASN A 72 15.196 -4.389 -4.024 1.00 0.00 C ATOM 1150 O ASN A 72 15.795 -3.579 -4.728 1.00 0.00 O ATOM 1151 CB ASN A 72 15.505 -4.884 -1.617 1.00 0.00 C ATOM 1152 CG ASN A 72 16.537 -4.063 -0.842 1.00 0.00 C ATOM 1153 OD1 ASN A 72 17.042 -3.055 -1.306 1.00 0.00 O ATOM 1154 ND2 ASN A 72 16.822 -4.551 0.362 1.00 0.00 N ATOM 0 H ASN A 72 12.751 -3.356 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 72 14.954 -2.958 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.804 -5.344 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.004 -5.694 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.500 -4.076 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.362 -5.400 0.690 1.00 0.00 H new ATOM 1161 N MET A 73 14.891 -5.625 -4.393 1.00 0.00 N ATOM 1162 CA MET A 73 15.259 -6.126 -5.706 1.00 0.00 C ATOM 1163 C MET A 73 16.621 -5.580 -6.139 1.00 0.00 C ATOM 1164 O MET A 73 16.704 -4.506 -6.733 1.00 0.00 O ATOM 1165 CB MET A 73 14.197 -5.712 -6.727 1.00 0.00 C ATOM 1166 CG MET A 73 14.178 -6.673 -7.918 1.00 0.00 C ATOM 1167 SD MET A 73 13.799 -8.326 -7.364 1.00 0.00 S ATOM 1168 CE MET A 73 15.450 -8.976 -7.175 1.00 0.00 C ATOM 0 H MET A 73 14.393 -6.294 -3.805 1.00 0.00 H new ATOM 0 HA MET A 73 15.323 -7.213 -5.654 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.216 -5.697 -6.251 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.398 -4.699 -7.076 1.00 0.00 H new ATOM 0 HG2 MET A 73 13.437 -6.346 -8.647 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.145 -6.662 -8.420 1.00 0.00 H new ATOM 0 HE1 MET A 73 15.608 -9.782 -7.892 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.176 -8.183 -7.355 1.00 0.00 H new ATOM 0 HE3 MET A 73 15.576 -9.360 -6.163 1.00 0.00 H new ATOM 1178 N ILE A 74 17.657 -6.345 -5.824 1.00 0.00 N ATOM 1179 CA ILE A 74 19.011 -5.951 -6.173 1.00 0.00 C ATOM 1180 C ILE A 74 19.648 -7.042 -7.036 1.00 0.00 C ATOM 1181 O ILE A 74 18.975 -7.988 -7.444 1.00 0.00 O ATOM 1182 CB ILE A 74 19.814 -5.618 -4.913 1.00 0.00 C ATOM 1183 CG1 ILE A 74 19.823 -6.799 -3.940 1.00 0.00 C ATOM 1184 CG2 ILE A 74 19.294 -4.338 -4.254 1.00 0.00 C ATOM 1185 CD1 ILE A 74 18.502 -6.889 -3.173 1.00 0.00 C ATOM 0 H ILE A 74 17.585 -7.235 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 74 19.000 -5.038 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 74 20.848 -5.434 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.993 -7.725 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.649 -6.689 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 74 19.881 -4.124 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.381 -3.507 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 74 18.248 -4.470 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 74 18.536 -7.737 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 74 18.347 -5.971 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.681 -7.023 -3.877 1.00 0.00 H new ATOM 1197 N GLN A 75 20.938 -6.875 -7.289 1.00 0.00 N ATOM 1198 CA GLN A 75 21.673 -7.833 -8.097 1.00 0.00 C ATOM 1199 C GLN A 75 20.798 -8.342 -9.244 1.00 0.00 C ATOM 1200 O GLN A 75 20.555 -9.542 -9.359 1.00 0.00 O ATOM 1201 CB GLN A 75 22.185 -8.993 -7.241 1.00 0.00 C ATOM 1202 CG GLN A 75 23.706 -9.119 -7.341 1.00 0.00 C ATOM 1203 CD GLN A 75 24.102 -10.291 -8.242 1.00 0.00 C ATOM 1204 OE1 GLN A 75 23.395 -11.278 -8.365 1.00 0.00 O ATOM 1205 NE2 GLN A 75 25.267 -10.128 -8.862 1.00 0.00 N ATOM 0 H GLN A 75 21.493 -6.090 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 75 22.540 -7.329 -8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 75 21.897 -8.837 -6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 75 21.717 -9.923 -7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 75 24.126 -8.194 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 75 24.129 -9.261 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 75 25.809 -9.276 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 75 25.619 -10.855 -9.485 1.00 0.00 H new ATOM 1214 N THR A 76 20.349 -7.403 -10.065 1.00 0.00 N ATOM 1215 CA THR A 76 19.507 -7.741 -11.200 1.00 0.00 C ATOM 1216 C THR A 76 19.984 -9.041 -11.850 1.00 0.00 C ATOM 1217 O THR A 76 21.183 -9.240 -12.042 1.00 0.00 O ATOM 1218 CB THR A 76 19.502 -6.548 -12.157 1.00 0.00 C ATOM 1219 OG1 THR A 76 18.465 -6.853 -13.086 1.00 0.00 O ATOM 1220 CG2 THR A 76 20.766 -6.484 -13.018 1.00 0.00 C ATOM 0 H THR A 76 20.553 -6.408 -9.966 1.00 0.00 H new ATOM 0 HA THR A 76 18.480 -7.929 -10.888 1.00 0.00 H new ATOM 0 HB THR A 76 19.404 -5.625 -11.586 1.00 0.00 H new ATOM 0 HG1 THR A 76 18.391 -6.130 -13.743 1.00 0.00 H new ATOM 0 HG21 THR A 76 20.712 -5.619 -13.680 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.641 -6.394 -12.374 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.846 -7.393 -13.615 1.00 0.00 H new ATOM 1228 N LYS A 77 19.021 -9.893 -12.171 1.00 0.00 N ATOM 1229 CA LYS A 77 19.329 -11.169 -12.796 1.00 0.00 C ATOM 1230 C LYS A 77 20.009 -10.920 -14.143 1.00 0.00 C ATOM 1231 O LYS A 77 19.829 -9.865 -14.749 1.00 0.00 O ATOM 1232 CB LYS A 77 18.071 -12.035 -12.891 1.00 0.00 C ATOM 1233 CG LYS A 77 17.217 -11.631 -14.096 1.00 0.00 C ATOM 1234 CD LYS A 77 15.902 -12.412 -14.122 1.00 0.00 C ATOM 1235 CE LYS A 77 15.104 -12.099 -15.389 1.00 0.00 C ATOM 1236 NZ LYS A 77 14.461 -13.325 -15.912 1.00 0.00 N ATOM 0 H LYS A 77 18.028 -9.725 -12.010 1.00 0.00 H new ATOM 0 HA LYS A 77 20.032 -11.735 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.353 -13.084 -12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.486 -11.935 -11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.008 -10.562 -14.056 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.771 -11.814 -15.017 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.109 -13.481 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.308 -12.161 -13.243 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.345 -11.348 -15.172 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.764 -11.676 -16.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.923 -13.095 -16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.191 -14.030 -16.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.816 -13.712 -15.194 1.00 0.00 H new ATOM 1250 N PRO A 78 20.796 -11.937 -14.586 1.00 0.00 N ATOM 1251 CA PRO A 78 21.504 -11.840 -15.850 1.00 0.00 C ATOM 1252 C PRO A 78 20.547 -12.024 -17.030 1.00 0.00 C ATOM 1253 O PRO A 78 19.620 -12.829 -16.963 1.00 0.00 O ATOM 1254 CB PRO A 78 22.578 -12.915 -15.784 1.00 0.00 C ATOM 1255 CG PRO A 78 22.139 -13.875 -14.691 1.00 0.00 C ATOM 1256 CD PRO A 78 21.033 -13.202 -13.894 1.00 0.00 C ATOM 0 HA PRO A 78 21.951 -10.858 -16.007 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.675 -13.429 -16.740 1.00 0.00 H new ATOM 0 HB3 PRO A 78 23.551 -12.481 -15.555 1.00 0.00 H new ATOM 0 HG2 PRO A 78 21.782 -14.809 -15.125 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.979 -14.125 -14.043 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.132 -13.815 -13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 78 21.334 -13.037 -12.859 1.00 0.00 H new ATOM 1264 N THR A 79 20.806 -11.261 -18.083 1.00 0.00 N ATOM 1265 CA THR A 79 19.977 -11.330 -19.276 1.00 0.00 C ATOM 1266 C THR A 79 20.226 -12.643 -20.022 1.00 0.00 C ATOM 1267 O THR A 79 21.110 -13.414 -19.653 1.00 0.00 O ATOM 1268 CB THR A 79 20.264 -10.087 -20.122 1.00 0.00 C ATOM 1269 OG1 THR A 79 19.912 -9.000 -19.271 1.00 0.00 O ATOM 1270 CG2 THR A 79 19.310 -9.955 -21.310 1.00 0.00 C ATOM 0 H THR A 79 21.576 -10.594 -18.135 1.00 0.00 H new ATOM 0 HA THR A 79 18.917 -11.332 -19.023 1.00 0.00 H new ATOM 0 HB THR A 79 21.291 -10.123 -20.484 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.069 -8.154 -19.740 1.00 0.00 H new ATOM 0 HG21 THR A 79 19.557 -9.057 -21.877 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.408 -10.829 -21.954 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.285 -9.884 -20.947 1.00 0.00 H new ATOM 1278 N GLY A 80 19.427 -12.856 -21.058 1.00 0.00 N ATOM 1279 CA GLY A 80 19.548 -14.062 -21.859 1.00 0.00 C ATOM 1280 C GLY A 80 20.447 -13.825 -23.075 1.00 0.00 C ATOM 1281 O GLY A 80 21.648 -13.607 -22.930 1.00 0.00 O ATOM 0 H GLY A 80 18.694 -12.214 -21.361 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.959 -14.868 -21.250 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.560 -14.384 -22.190 1.00 0.00 H new ATOM 1285 N THR A 81 19.829 -13.875 -24.247 1.00 0.00 N ATOM 1286 CA THR A 81 20.557 -13.668 -25.486 1.00 0.00 C ATOM 1287 C THR A 81 19.591 -13.324 -26.621 1.00 0.00 C ATOM 1288 O THR A 81 18.556 -12.700 -26.393 1.00 0.00 O ATOM 1289 CB THR A 81 21.392 -14.921 -25.758 1.00 0.00 C ATOM 1290 OG1 THR A 81 22.105 -14.611 -26.953 1.00 0.00 O ATOM 1291 CG2 THR A 81 20.532 -16.127 -26.141 1.00 0.00 C ATOM 0 H THR A 81 18.832 -14.056 -24.363 1.00 0.00 H new ATOM 0 HA THR A 81 21.235 -12.818 -25.409 1.00 0.00 H new ATOM 0 HB THR A 81 21.982 -15.162 -24.874 1.00 0.00 H new ATOM 0 HG1 THR A 81 22.674 -15.370 -27.201 1.00 0.00 H new ATOM 0 HG21 THR A 81 21.174 -16.989 -26.323 1.00 0.00 H new ATOM 0 HG22 THR A 81 19.842 -16.354 -25.329 1.00 0.00 H new ATOM 0 HG23 THR A 81 19.967 -15.898 -27.044 1.00 0.00 H new ATOM 1299 N GLN A 82 19.962 -13.746 -27.821 1.00 0.00 N ATOM 1300 CA GLN A 82 19.142 -13.489 -28.992 1.00 0.00 C ATOM 1301 C GLN A 82 19.631 -14.327 -30.176 1.00 0.00 C ATOM 1302 O GLN A 82 20.706 -14.921 -30.119 1.00 0.00 O ATOM 1303 CB GLN A 82 19.134 -12.000 -29.341 1.00 0.00 C ATOM 1304 CG GLN A 82 17.710 -11.505 -29.597 1.00 0.00 C ATOM 1305 CD GLN A 82 17.620 -9.985 -29.442 1.00 0.00 C ATOM 1306 OE1 GLN A 82 17.769 -9.436 -28.363 1.00 0.00 O ATOM 1307 NE2 GLN A 82 17.372 -9.339 -30.578 1.00 0.00 N ATOM 0 H GLN A 82 20.820 -14.265 -28.007 1.00 0.00 H new ATOM 0 HA GLN A 82 18.117 -13.780 -28.764 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.580 -11.429 -28.526 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.748 -11.827 -30.225 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.397 -11.791 -30.601 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.023 -11.986 -28.900 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.258 -9.861 -31.447 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.296 -8.322 -30.580 1.00 0.00 H new ATOM 1316 N GLN A 83 18.817 -14.347 -31.221 1.00 0.00 N ATOM 1317 CA GLN A 83 19.152 -15.103 -32.417 1.00 0.00 C ATOM 1318 C GLN A 83 18.767 -14.312 -33.669 1.00 0.00 C ATOM 1319 O GLN A 83 17.959 -13.387 -33.599 1.00 0.00 O ATOM 1320 CB GLN A 83 18.476 -16.476 -32.406 1.00 0.00 C ATOM 1321 CG GLN A 83 19.199 -17.449 -33.339 1.00 0.00 C ATOM 1322 CD GLN A 83 19.123 -18.880 -32.803 1.00 0.00 C ATOM 1323 OE1 GLN A 83 19.096 -19.122 -31.607 1.00 0.00 O ATOM 1324 NE2 GLN A 83 19.093 -19.812 -33.751 1.00 0.00 N ATOM 0 H GLN A 83 17.926 -13.852 -31.265 1.00 0.00 H new ATOM 0 HA GLN A 83 20.230 -15.266 -32.430 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.471 -16.875 -31.392 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.435 -16.376 -32.714 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.753 -17.405 -34.333 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.242 -17.151 -33.444 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.118 -19.541 -34.734 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.044 -20.798 -33.495 1.00 0.00 H new ATOM 1333 N SER A 84 19.365 -14.705 -34.784 1.00 0.00 N ATOM 1334 CA SER A 84 19.095 -14.044 -36.050 1.00 0.00 C ATOM 1335 C SER A 84 19.072 -15.073 -37.182 1.00 0.00 C ATOM 1336 O SER A 84 19.441 -16.229 -36.983 1.00 0.00 O ATOM 1337 CB SER A 84 20.135 -12.961 -36.338 1.00 0.00 C ATOM 1338 OG SER A 84 19.577 -11.652 -36.268 1.00 0.00 O ATOM 0 H SER A 84 20.035 -15.472 -34.837 1.00 0.00 H new ATOM 0 HA SER A 84 18.119 -13.563 -35.984 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.953 -13.045 -35.623 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.560 -13.121 -37.329 1.00 0.00 H new ATOM 0 HG SER A 84 20.274 -10.989 -36.456 1.00 0.00 H new ATOM 1344 N THR A 85 18.635 -14.615 -38.346 1.00 0.00 N ATOM 1345 CA THR A 85 18.560 -15.481 -39.510 1.00 0.00 C ATOM 1346 C THR A 85 18.986 -14.721 -40.769 1.00 0.00 C ATOM 1347 O THR A 85 19.095 -13.496 -40.751 1.00 0.00 O ATOM 1348 CB THR A 85 17.139 -16.041 -39.591 1.00 0.00 C ATOM 1349 OG1 THR A 85 16.974 -16.749 -38.365 1.00 0.00 O ATOM 1350 CG2 THR A 85 16.995 -17.120 -40.667 1.00 0.00 C ATOM 0 H THR A 85 18.329 -13.655 -38.508 1.00 0.00 H new ATOM 0 HA THR A 85 19.251 -16.319 -39.425 1.00 0.00 H new ATOM 0 HB THR A 85 16.440 -15.229 -39.795 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.077 -17.143 -38.333 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.968 -17.484 -40.682 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.245 -16.699 -41.641 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.669 -17.947 -40.445 1.00 0.00 H new ATOM 1358 N ASN A 86 19.213 -15.480 -41.831 1.00 0.00 N ATOM 1359 CA ASN A 86 19.625 -14.893 -43.095 1.00 0.00 C ATOM 1360 C ASN A 86 18.638 -15.307 -44.188 1.00 0.00 C ATOM 1361 O ASN A 86 18.003 -16.356 -44.093 1.00 0.00 O ATOM 1362 CB ASN A 86 21.015 -15.384 -43.504 1.00 0.00 C ATOM 1363 CG ASN A 86 21.991 -14.214 -43.641 1.00 0.00 C ATOM 1364 OD1 ASN A 86 22.103 -13.584 -44.680 1.00 0.00 O ATOM 1365 ND2 ASN A 86 22.690 -13.959 -42.537 1.00 0.00 N ATOM 0 H ASN A 86 19.120 -16.496 -41.842 1.00 0.00 H new ATOM 0 HA ASN A 86 19.647 -13.810 -42.973 1.00 0.00 H new ATOM 0 HB2 ASN A 86 21.389 -16.089 -42.761 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.951 -15.922 -44.450 1.00 0.00 H new ATOM 0 HD21 ASN A 86 23.368 -13.197 -42.527 1.00 0.00 H new ATOM 0 HD22 ASN A 86 22.547 -14.525 -41.701 1.00 0.00 H new ATOM 1372 N THR A 87 18.540 -14.460 -45.202 1.00 0.00 N ATOM 1373 CA THR A 87 17.641 -14.724 -46.314 1.00 0.00 C ATOM 1374 C THR A 87 18.338 -14.434 -47.644 1.00 0.00 C ATOM 1375 O THR A 87 19.501 -14.037 -47.666 1.00 0.00 O ATOM 1376 CB THR A 87 16.371 -13.898 -46.100 1.00 0.00 C ATOM 1377 OG1 THR A 87 16.847 -12.566 -45.931 1.00 0.00 O ATOM 1378 CG2 THR A 87 15.680 -14.218 -44.772 1.00 0.00 C ATOM 0 H THR A 87 19.068 -13.590 -45.277 1.00 0.00 H new ATOM 0 HA THR A 87 17.359 -15.776 -46.354 1.00 0.00 H new ATOM 0 HB THR A 87 15.679 -14.079 -46.922 1.00 0.00 H new ATOM 0 HG1 THR A 87 16.088 -11.963 -45.788 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.785 -13.604 -44.671 1.00 0.00 H new ATOM 0 HG22 THR A 87 15.402 -15.272 -44.751 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.361 -14.006 -43.947 1.00 0.00 H new ATOM 1386 N ALA A 88 17.596 -14.643 -48.722 1.00 0.00 N ATOM 1387 CA ALA A 88 18.128 -14.408 -50.054 1.00 0.00 C ATOM 1388 C ALA A 88 17.003 -14.553 -51.080 1.00 0.00 C ATOM 1389 O ALA A 88 16.520 -15.657 -51.326 1.00 0.00 O ATOM 1390 CB ALA A 88 19.286 -15.372 -50.318 1.00 0.00 C ATOM 0 H ALA A 88 16.631 -14.972 -48.700 1.00 0.00 H new ATOM 0 HA ALA A 88 18.522 -13.395 -50.137 1.00 0.00 H new ATOM 0 HB1 ALA A 88 19.685 -15.196 -51.317 1.00 0.00 H new ATOM 0 HB2 ALA A 88 20.071 -15.209 -49.580 1.00 0.00 H new ATOM 0 HB3 ALA A 88 18.928 -16.399 -50.246 1.00 0.00 H new ATOM 1396 N VAL A 89 16.618 -13.421 -51.653 1.00 0.00 N ATOM 1397 CA VAL A 89 15.559 -13.408 -52.647 1.00 0.00 C ATOM 1398 C VAL A 89 15.666 -12.131 -53.484 1.00 0.00 C ATOM 1399 O VAL A 89 15.584 -11.026 -52.949 1.00 0.00 O ATOM 1400 CB VAL A 89 14.198 -13.563 -51.964 1.00 0.00 C ATOM 1401 CG1 VAL A 89 13.832 -12.302 -51.181 1.00 0.00 C ATOM 1402 CG2 VAL A 89 13.110 -13.911 -52.983 1.00 0.00 C ATOM 0 H VAL A 89 17.021 -12.507 -51.447 1.00 0.00 H new ATOM 0 HA VAL A 89 15.664 -14.253 -53.328 1.00 0.00 H new ATOM 0 HB VAL A 89 14.270 -14.388 -51.256 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.861 -12.438 -50.705 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.587 -12.116 -50.417 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.787 -11.452 -51.861 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.153 -14.016 -52.472 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.040 -13.116 -53.726 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.362 -14.849 -53.478 1.00 0.00 H new ATOM 1412 N THR A 90 15.848 -12.325 -54.781 1.00 0.00 N ATOM 1413 CA THR A 90 15.968 -11.203 -55.696 1.00 0.00 C ATOM 1414 C THR A 90 14.886 -11.278 -56.775 1.00 0.00 C ATOM 1415 O THR A 90 14.416 -12.362 -57.114 1.00 0.00 O ATOM 1416 CB THR A 90 17.390 -11.203 -56.261 1.00 0.00 C ATOM 1417 OG1 THR A 90 18.206 -10.853 -55.146 1.00 0.00 O ATOM 1418 CG2 THR A 90 17.622 -10.070 -57.262 1.00 0.00 C ATOM 0 H THR A 90 15.915 -13.243 -55.221 1.00 0.00 H new ATOM 0 HA THR A 90 15.807 -10.255 -55.183 1.00 0.00 H new ATOM 0 HB THR A 90 17.589 -12.160 -56.743 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.146 -10.831 -55.423 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.646 -10.116 -57.632 1.00 0.00 H new ATOM 0 HG22 THR A 90 16.929 -10.175 -58.097 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.456 -9.111 -56.771 1.00 0.00 H new ATOM 1426 N LEU A 91 14.523 -10.110 -57.286 1.00 0.00 N ATOM 1427 CA LEU A 91 13.506 -10.029 -58.319 1.00 0.00 C ATOM 1428 C LEU A 91 13.739 -11.138 -59.347 1.00 0.00 C ATOM 1429 O LEU A 91 14.831 -11.699 -59.423 1.00 0.00 O ATOM 1430 CB LEU A 91 13.470 -8.626 -58.927 1.00 0.00 C ATOM 1431 CG LEU A 91 14.435 -8.372 -60.087 1.00 0.00 C ATOM 1432 CD1 LEU A 91 13.822 -7.415 -61.111 1.00 0.00 C ATOM 1433 CD2 LEU A 91 15.789 -7.875 -59.575 1.00 0.00 C ATOM 0 H LEU A 91 14.916 -9.212 -57.003 1.00 0.00 H new ATOM 0 HA LEU A 91 12.517 -10.192 -57.892 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.456 -8.428 -59.274 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.683 -7.904 -58.138 1.00 0.00 H new ATOM 0 HG LEU A 91 14.612 -9.319 -60.598 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.529 -7.252 -61.925 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.904 -7.847 -61.509 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.596 -6.463 -60.630 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.456 -7.702 -60.419 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.651 -6.944 -59.025 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.226 -8.624 -58.915 1.00 0.00 H new ATOM 1445 N THR A 92 12.695 -11.422 -60.112 1.00 0.00 N ATOM 1446 CA THR A 92 12.773 -12.455 -61.131 1.00 0.00 C ATOM 1447 C THR A 92 13.754 -12.045 -62.231 1.00 0.00 C ATOM 1448 O THR A 92 14.321 -10.954 -62.187 1.00 0.00 O ATOM 1449 CB THR A 92 11.357 -12.718 -61.647 1.00 0.00 C ATOM 1450 OG1 THR A 92 10.952 -11.468 -62.200 1.00 0.00 O ATOM 1451 CG2 THR A 92 10.358 -12.964 -60.515 1.00 0.00 C ATOM 0 H THR A 92 11.791 -10.955 -60.047 1.00 0.00 H new ATOM 0 HA THR A 92 13.163 -13.387 -60.721 1.00 0.00 H new ATOM 0 HB THR A 92 11.368 -13.579 -62.315 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.044 -11.548 -62.560 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.369 -13.145 -60.936 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.671 -13.833 -59.936 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.321 -12.089 -59.866 1.00 0.00 H new ATOM 1459 N GLY A 93 13.923 -12.941 -63.193 1.00 0.00 N ATOM 1460 CA GLY A 93 14.825 -12.686 -64.302 1.00 0.00 C ATOM 1461 C GLY A 93 14.089 -12.018 -65.466 1.00 0.00 C ATOM 1462 O GLY A 93 14.537 -10.995 -65.983 1.00 0.00 O ATOM 0 H GLY A 93 13.450 -13.844 -63.227 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.643 -12.047 -63.970 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.268 -13.623 -64.638 1.00 0.00 H new TER 1466 GLY A 93