USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 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= -0.0422 USER MOD Set 1.2: A 67 SER OG : rot 60:sc= 0.00238 USER MOD Single : A 1 VAL N :NH3+ 169:sc= -0.0172 (180deg=-0.153) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -3:sc= 0.788 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.72) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -120:sc= -0.968 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -77:sc= -0.304 USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= -2.03! (180deg=-4.43!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.51) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= -4.99! (180deg=-4.99!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Single : A 69 THR OG1 : rot -54:sc= 0.497 USER MOD Single : A 71 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.8!) USER MOD Single : A 72 ASN : amide:sc=-0.00835 X(o=-0.0084,f=0) USER MOD Single : A 73 MET CE :methyl -115:sc= -1.46 (180deg=-3.49!) USER MOD Single : A 75 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -119:sc= 0.378! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 82 GLN : amide:sc=-0.00139 X(o=-0.0014,f=-0.14) USER MOD Single : A 83 GLN : amide:sc= -0.204 K(o=-0.2,f=-2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.207 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= -0.0393 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.322 5.382 -24.748 1.00 0.00 N ATOM 2 CA VAL A 1 1.732 5.076 -24.912 1.00 0.00 C ATOM 3 C VAL A 1 2.490 5.488 -23.648 1.00 0.00 C ATOM 4 O VAL A 1 3.404 6.309 -23.708 1.00 0.00 O ATOM 5 CB VAL A 1 2.271 5.747 -26.177 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.218 7.271 -26.054 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.690 5.271 -26.490 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.164 5.280 -25.662 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.097 4.727 -24.057 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.216 6.359 -24.407 1.00 0.00 H new ATOM 0 HA VAL A 1 1.876 4.004 -25.043 1.00 0.00 H new ATOM 0 HB VAL A 1 1.630 5.455 -27.009 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.607 7.723 -26.966 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.186 7.588 -25.903 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.823 7.589 -25.205 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.048 5.764 -27.394 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.348 5.518 -25.657 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.686 4.192 -26.642 1.00 0.00 H new ATOM 17 N GLY A 2 2.082 4.901 -22.533 1.00 0.00 N ATOM 18 CA GLY A 2 2.710 5.197 -21.258 1.00 0.00 C ATOM 19 C GLY A 2 1.727 4.997 -20.103 1.00 0.00 C ATOM 20 O GLY A 2 0.919 4.070 -20.124 1.00 0.00 O ATOM 0 H GLY A 2 1.323 4.221 -22.487 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.578 4.552 -21.118 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.073 6.225 -21.257 1.00 0.00 H new ATOM 24 N SER A 3 1.828 5.882 -19.121 1.00 0.00 N ATOM 25 CA SER A 3 0.957 5.814 -17.960 1.00 0.00 C ATOM 26 C SER A 3 -0.468 6.210 -18.351 1.00 0.00 C ATOM 27 O SER A 3 -0.667 7.160 -19.106 1.00 0.00 O ATOM 28 CB SER A 3 1.469 6.716 -16.835 1.00 0.00 C ATOM 29 OG SER A 3 2.867 6.968 -16.946 1.00 0.00 O ATOM 0 H SER A 3 2.500 6.649 -19.106 1.00 0.00 H new ATOM 0 HA SER A 3 0.954 4.787 -17.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.928 7.662 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.260 6.249 -15.873 1.00 0.00 H new ATOM 0 HG SER A 3 3.154 7.549 -16.211 1.00 0.00 H new ATOM 35 N GLU A 4 -1.423 5.460 -17.818 1.00 0.00 N ATOM 36 CA GLU A 4 -2.824 5.722 -18.102 1.00 0.00 C ATOM 37 C GLU A 4 -3.427 6.618 -17.019 1.00 0.00 C ATOM 38 O GLU A 4 -2.769 6.927 -16.026 1.00 0.00 O ATOM 39 CB GLU A 4 -3.609 4.415 -18.232 1.00 0.00 C ATOM 40 CG GLU A 4 -4.373 4.364 -19.557 1.00 0.00 C ATOM 41 CD GLU A 4 -5.840 3.991 -19.330 1.00 0.00 C ATOM 42 OE1 GLU A 4 -6.092 2.787 -19.112 1.00 0.00 O ATOM 43 OE2 GLU A 4 -6.675 4.920 -19.379 1.00 0.00 O ATOM 0 H GLU A 4 -1.254 4.672 -17.192 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.890 6.245 -19.056 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.925 3.568 -18.169 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.308 4.322 -17.401 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.313 5.333 -20.053 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.908 3.636 -20.222 1.00 0.00 H new ATOM 50 N VAL A 5 -4.671 7.011 -17.246 1.00 0.00 N ATOM 51 CA VAL A 5 -5.371 7.866 -16.302 1.00 0.00 C ATOM 52 C VAL A 5 -6.633 7.154 -15.813 1.00 0.00 C ATOM 53 O VAL A 5 -7.075 6.179 -16.421 1.00 0.00 O ATOM 54 CB VAL A 5 -5.660 9.225 -16.942 1.00 0.00 C ATOM 55 CG1 VAL A 5 -6.180 10.221 -15.903 1.00 0.00 C ATOM 56 CG2 VAL A 5 -4.420 9.772 -17.652 1.00 0.00 C ATOM 0 H VAL A 5 -5.213 6.753 -18.071 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.749 8.059 -15.428 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.440 9.083 -17.690 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.378 11.179 -16.384 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.101 9.839 -15.462 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.432 10.355 -15.121 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.653 10.739 -18.098 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.611 9.890 -16.931 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.112 9.077 -18.433 1.00 0.00 H new ATOM 66 N SER A 6 -7.180 7.668 -14.721 1.00 0.00 N ATOM 67 CA SER A 6 -8.383 7.094 -14.145 1.00 0.00 C ATOM 68 C SER A 6 -8.015 5.955 -13.191 1.00 0.00 C ATOM 69 O SER A 6 -8.827 5.548 -12.362 1.00 0.00 O ATOM 70 CB SER A 6 -9.329 6.586 -15.236 1.00 0.00 C ATOM 71 OG SER A 6 -10.691 6.881 -14.941 1.00 0.00 O ATOM 0 H SER A 6 -6.811 8.476 -14.220 1.00 0.00 H new ATOM 0 HA SER A 6 -8.900 7.875 -13.587 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.058 7.039 -16.190 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.208 5.509 -15.348 1.00 0.00 H new ATOM 0 HG SER A 6 -11.263 6.542 -15.661 1.00 0.00 H new ATOM 77 N ASP A 7 -6.789 5.474 -13.340 1.00 0.00 N ATOM 78 CA ASP A 7 -6.302 4.391 -12.502 1.00 0.00 C ATOM 79 C ASP A 7 -5.263 4.939 -11.521 1.00 0.00 C ATOM 80 O ASP A 7 -5.371 4.726 -10.314 1.00 0.00 O ATOM 81 CB ASP A 7 -5.633 3.303 -13.343 1.00 0.00 C ATOM 82 CG ASP A 7 -4.314 3.714 -14.000 1.00 0.00 C ATOM 83 OD1 ASP A 7 -4.306 4.791 -14.634 1.00 0.00 O ATOM 84 OD2 ASP A 7 -3.342 2.941 -13.853 1.00 0.00 O ATOM 0 H ASP A 7 -6.118 5.815 -14.029 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.154 3.964 -11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.451 2.435 -12.709 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.327 2.989 -14.122 1.00 0.00 H new ATOM 89 N LYS A 8 -4.280 5.632 -12.076 1.00 0.00 N ATOM 90 CA LYS A 8 -3.223 6.211 -11.265 1.00 0.00 C ATOM 91 C LYS A 8 -3.830 6.812 -9.996 1.00 0.00 C ATOM 92 O LYS A 8 -3.252 6.703 -8.915 1.00 0.00 O ATOM 93 CB LYS A 8 -2.403 7.209 -12.087 1.00 0.00 C ATOM 94 CG LYS A 8 -3.315 8.120 -12.911 1.00 0.00 C ATOM 95 CD LYS A 8 -2.620 9.445 -13.231 1.00 0.00 C ATOM 96 CE LYS A 8 -2.534 10.333 -11.987 1.00 0.00 C ATOM 97 NZ LYS A 8 -1.703 11.526 -12.259 1.00 0.00 N ATOM 0 H LYS A 8 -4.193 5.806 -13.077 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.521 5.440 -10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.785 7.812 -11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.726 6.670 -12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.595 7.619 -13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.237 8.312 -12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.618 9.251 -13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.166 9.966 -14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.534 10.641 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.109 9.768 -11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.655 12.118 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.744 11.227 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.125 12.073 -13.036 1.00 0.00 H new ATOM 111 N ARG A 9 -4.988 7.433 -10.169 1.00 0.00 N ATOM 112 CA ARG A 9 -5.680 8.051 -9.051 1.00 0.00 C ATOM 113 C ARG A 9 -6.127 6.985 -8.049 1.00 0.00 C ATOM 114 O ARG A 9 -5.747 7.028 -6.880 1.00 0.00 O ATOM 115 CB ARG A 9 -6.901 8.839 -9.527 1.00 0.00 C ATOM 116 CG ARG A 9 -7.151 10.057 -8.633 1.00 0.00 C ATOM 117 CD ARG A 9 -8.135 11.027 -9.290 1.00 0.00 C ATOM 118 NE ARG A 9 -8.733 11.911 -8.266 1.00 0.00 N ATOM 119 CZ ARG A 9 -9.574 12.918 -8.542 1.00 0.00 C ATOM 120 NH1 ARG A 9 -9.920 13.173 -9.810 1.00 0.00 N ATOM 121 NH2 ARG A 9 -10.068 13.669 -7.548 1.00 0.00 N ATOM 0 H ARG A 9 -5.464 7.521 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.985 8.738 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.750 9.164 -10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.779 8.194 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.544 9.731 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.208 10.568 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.621 11.625 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.918 10.471 -9.804 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.491 11.744 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.544 12.601 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.560 13.939 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.804 13.474 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.708 14.435 -7.757 1.00 0.00 H new ATOM 135 N THR A 10 -6.930 6.054 -8.544 1.00 0.00 N ATOM 136 CA THR A 10 -7.434 4.979 -7.707 1.00 0.00 C ATOM 137 C THR A 10 -7.705 3.730 -8.548 1.00 0.00 C ATOM 138 O THR A 10 -6.906 2.795 -8.553 1.00 0.00 O ATOM 139 CB THR A 10 -8.671 5.495 -6.968 1.00 0.00 C ATOM 140 OG1 THR A 10 -8.143 6.370 -5.976 1.00 0.00 O ATOM 141 CG2 THR A 10 -9.372 4.398 -6.163 1.00 0.00 C ATOM 0 H THR A 10 -7.244 6.022 -9.514 1.00 0.00 H new ATOM 0 HA THR A 10 -6.696 4.678 -6.964 1.00 0.00 H new ATOM 0 HB THR A 10 -9.371 5.922 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.164 6.358 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.243 4.817 -5.658 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.691 3.601 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.683 3.994 -5.422 1.00 0.00 H new ATOM 149 N CYS A 11 -8.834 3.755 -9.239 1.00 0.00 N ATOM 150 CA CYS A 11 -9.221 2.636 -10.082 1.00 0.00 C ATOM 151 C CYS A 11 -10.540 2.990 -10.773 1.00 0.00 C ATOM 152 O CYS A 11 -10.872 4.165 -10.922 1.00 0.00 O ATOM 153 CB CYS A 11 -9.326 1.336 -9.284 1.00 0.00 C ATOM 154 SG CYS A 11 -10.827 1.190 -8.248 1.00 0.00 S ATOM 0 H CYS A 11 -9.494 4.533 -9.233 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.452 2.461 -10.835 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.298 0.497 -9.979 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.449 1.248 -8.643 1.00 0.00 H new ATOM 159 N VAL A 12 -11.256 1.950 -11.177 1.00 0.00 N ATOM 160 CA VAL A 12 -12.531 2.135 -11.850 1.00 0.00 C ATOM 161 C VAL A 12 -13.664 1.721 -10.909 1.00 0.00 C ATOM 162 O VAL A 12 -14.343 2.572 -10.336 1.00 0.00 O ATOM 163 CB VAL A 12 -12.541 1.367 -13.172 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.896 1.497 -13.871 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.407 1.832 -14.086 1.00 0.00 C ATOM 0 H VAL A 12 -10.977 0.977 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.683 3.185 -12.099 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.379 0.313 -12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.876 0.942 -14.809 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.678 1.094 -13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.100 2.548 -14.076 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.438 1.269 -15.019 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.524 2.895 -14.299 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.450 1.664 -13.592 1.00 0.00 H new ATOM 175 N SER A 13 -13.832 0.413 -10.777 1.00 0.00 N ATOM 176 CA SER A 13 -14.871 -0.124 -9.915 1.00 0.00 C ATOM 177 C SER A 13 -14.241 -0.899 -8.756 1.00 0.00 C ATOM 178 O SER A 13 -13.051 -0.752 -8.481 1.00 0.00 O ATOM 179 CB SER A 13 -15.826 -1.025 -10.700 1.00 0.00 C ATOM 180 OG SER A 13 -15.243 -2.292 -10.995 1.00 0.00 O ATOM 0 H SER A 13 -13.266 -0.290 -11.252 1.00 0.00 H new ATOM 0 HA SER A 13 -15.448 0.709 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.741 -1.172 -10.126 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.109 -0.531 -11.629 1.00 0.00 H new ATOM 0 HG SER A 13 -15.884 -2.839 -11.495 1.00 0.00 H new ATOM 186 N LEU A 14 -15.066 -1.708 -8.109 1.00 0.00 N ATOM 187 CA LEU A 14 -14.604 -2.506 -6.986 1.00 0.00 C ATOM 188 C LEU A 14 -14.402 -3.953 -7.442 1.00 0.00 C ATOM 189 O LEU A 14 -15.368 -4.702 -7.588 1.00 0.00 O ATOM 190 CB LEU A 14 -15.558 -2.364 -5.798 1.00 0.00 C ATOM 191 CG LEU A 14 -15.269 -1.206 -4.841 1.00 0.00 C ATOM 192 CD1 LEU A 14 -16.275 -1.183 -3.688 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.824 -1.256 -4.340 1.00 0.00 C ATOM 0 H LEU A 14 -16.052 -1.828 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.638 -2.144 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.571 -2.247 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.539 -3.293 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.387 -0.272 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.047 -0.350 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.282 -1.064 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.213 -2.119 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.645 -0.422 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.654 -2.195 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.142 -1.187 -5.188 1.00 0.00 H new ATOM 205 N THR A 15 -13.143 -4.302 -7.657 1.00 0.00 N ATOM 206 CA THR A 15 -12.802 -5.645 -8.095 1.00 0.00 C ATOM 207 C THR A 15 -13.309 -5.886 -9.519 1.00 0.00 C ATOM 208 O THR A 15 -13.136 -5.040 -10.394 1.00 0.00 O ATOM 209 CB THR A 15 -13.369 -6.634 -7.073 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.167 -5.989 -5.818 1.00 0.00 O ATOM 211 CG2 THR A 15 -12.537 -7.913 -6.973 1.00 0.00 C ATOM 0 H THR A 15 -12.345 -3.678 -7.536 1.00 0.00 H new ATOM 0 HA THR A 15 -11.722 -5.784 -8.140 1.00 0.00 H new ATOM 0 HB THR A 15 -14.394 -6.888 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.508 -6.560 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.982 -8.580 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.514 -8.409 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.520 -7.663 -6.670 1.00 0.00 H new ATOM 219 N THR A 16 -13.923 -7.045 -9.706 1.00 0.00 N ATOM 220 CA THR A 16 -14.455 -7.408 -11.008 1.00 0.00 C ATOM 221 C THR A 16 -13.353 -8.003 -11.888 1.00 0.00 C ATOM 222 O THR A 16 -13.603 -8.380 -13.031 1.00 0.00 O ATOM 223 CB THR A 16 -15.112 -6.167 -11.613 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.232 -6.681 -12.329 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.247 -5.514 -12.694 1.00 0.00 C ATOM 0 H THR A 16 -14.064 -7.745 -8.977 1.00 0.00 H new ATOM 0 HA THR A 16 -15.214 -8.186 -10.922 1.00 0.00 H new ATOM 0 HB THR A 16 -15.315 -5.443 -10.824 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.717 -5.942 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.760 -4.638 -13.090 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.293 -5.212 -12.263 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.072 -6.227 -13.500 1.00 0.00 H new ATOM 233 N GLN A 17 -12.157 -8.067 -11.320 1.00 0.00 N ATOM 234 CA GLN A 17 -11.017 -8.609 -12.038 1.00 0.00 C ATOM 235 C GLN A 17 -10.197 -9.520 -11.123 1.00 0.00 C ATOM 236 O GLN A 17 -9.147 -9.121 -10.623 1.00 0.00 O ATOM 237 CB GLN A 17 -10.150 -7.488 -12.616 1.00 0.00 C ATOM 238 CG GLN A 17 -9.666 -6.546 -11.513 1.00 0.00 C ATOM 239 CD GLN A 17 -8.196 -6.173 -11.716 1.00 0.00 C ATOM 240 OE1 GLN A 17 -7.735 -5.934 -12.820 1.00 0.00 O ATOM 241 NE2 GLN A 17 -7.487 -6.136 -10.590 1.00 0.00 N ATOM 0 H GLN A 17 -11.954 -7.752 -10.371 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.388 -9.204 -12.872 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.293 -7.917 -13.135 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.721 -6.926 -13.355 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.276 -5.643 -11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.793 -7.023 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.935 -6.347 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.496 -5.897 -10.619 1.00 0.00 H new ATOM 250 N ARG A 18 -10.709 -10.727 -10.930 1.00 0.00 N ATOM 251 CA ARG A 18 -10.037 -11.698 -10.083 1.00 0.00 C ATOM 252 C ARG A 18 -8.732 -12.159 -10.736 1.00 0.00 C ATOM 253 O ARG A 18 -8.704 -13.178 -11.423 1.00 0.00 O ATOM 254 CB ARG A 18 -10.929 -12.914 -9.826 1.00 0.00 C ATOM 255 CG ARG A 18 -11.002 -13.235 -8.332 1.00 0.00 C ATOM 256 CD ARG A 18 -10.931 -14.744 -8.090 1.00 0.00 C ATOM 257 NE ARG A 18 -9.518 -15.173 -7.988 1.00 0.00 N ATOM 258 CZ ARG A 18 -9.119 -16.453 -8.002 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.023 -17.435 -8.113 1.00 0.00 N ATOM 260 NH2 ARG A 18 -7.816 -16.750 -7.904 1.00 0.00 N ATOM 0 H ARG A 18 -11.581 -11.054 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.819 -11.214 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.931 -12.722 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.540 -13.776 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.183 -12.741 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.929 -12.840 -7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.465 -15.000 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.423 -15.275 -8.905 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.804 -14.450 -7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.015 -17.209 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.720 -18.409 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.128 -16.002 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.513 -17.724 -7.915 1.00 0.00 H new ATOM 274 N LEU A 19 -7.683 -11.386 -10.497 1.00 0.00 N ATOM 275 CA LEU A 19 -6.378 -11.701 -11.052 1.00 0.00 C ATOM 276 C LEU A 19 -5.589 -12.540 -10.046 1.00 0.00 C ATOM 277 O LEU A 19 -5.831 -12.460 -8.841 1.00 0.00 O ATOM 278 CB LEU A 19 -5.657 -10.424 -11.488 1.00 0.00 C ATOM 279 CG LEU A 19 -4.962 -9.635 -10.378 1.00 0.00 C ATOM 280 CD1 LEU A 19 -4.000 -8.599 -10.961 1.00 0.00 C ATOM 281 CD2 LEU A 19 -5.985 -8.999 -9.433 1.00 0.00 C ATOM 0 H LEU A 19 -7.711 -10.541 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.484 -12.302 -11.955 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.913 -10.689 -12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.381 -9.769 -11.974 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.366 -10.331 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.519 -8.052 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.241 -9.103 -11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.553 -7.902 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.464 -8.444 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.626 -8.320 -9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.594 -9.780 -8.977 1.00 0.00 H new ATOM 293 N PRO A 20 -4.637 -13.345 -10.588 1.00 0.00 N ATOM 294 CA PRO A 20 -3.811 -14.197 -9.751 1.00 0.00 C ATOM 295 C PRO A 20 -2.747 -13.378 -9.015 1.00 0.00 C ATOM 296 O PRO A 20 -2.121 -12.498 -9.602 1.00 0.00 O ATOM 297 CB PRO A 20 -3.217 -15.225 -10.699 1.00 0.00 C ATOM 298 CG PRO A 20 -3.358 -14.637 -12.094 1.00 0.00 C ATOM 299 CD PRO A 20 -4.323 -13.465 -12.009 1.00 0.00 C ATOM 0 HA PRO A 20 -4.379 -14.686 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.171 -15.418 -10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.742 -16.177 -10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.389 -14.308 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.731 -15.389 -12.790 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.870 -12.551 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.221 -13.648 -12.599 1.00 0.00 H new ATOM 307 N VAL A 21 -2.577 -13.698 -7.740 1.00 0.00 N ATOM 308 CA VAL A 21 -1.602 -13.003 -6.918 1.00 0.00 C ATOM 309 C VAL A 21 -0.246 -13.009 -7.628 1.00 0.00 C ATOM 310 O VAL A 21 0.515 -12.048 -7.530 1.00 0.00 O ATOM 311 CB VAL A 21 -1.549 -13.631 -5.524 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.422 -14.664 -5.430 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.401 -12.558 -4.444 1.00 0.00 C ATOM 0 H VAL A 21 -3.098 -14.429 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.893 -11.962 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.493 -14.149 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.406 -15.095 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.590 -15.453 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.533 -14.179 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.366 -13.032 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.480 -11.999 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.251 -11.878 -4.488 1.00 0.00 H new ATOM 323 N SER A 22 0.015 -14.104 -8.329 1.00 0.00 N ATOM 324 CA SER A 22 1.264 -14.247 -9.055 1.00 0.00 C ATOM 325 C SER A 22 1.369 -13.168 -10.134 1.00 0.00 C ATOM 326 O SER A 22 2.461 -12.876 -10.620 1.00 0.00 O ATOM 327 CB SER A 22 1.380 -15.638 -9.682 1.00 0.00 C ATOM 328 OG SER A 22 2.681 -16.194 -9.510 1.00 0.00 O ATOM 0 H SER A 22 -0.618 -14.900 -8.409 1.00 0.00 H new ATOM 0 HA SER A 22 2.086 -14.126 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.640 -16.301 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.150 -15.577 -10.746 1.00 0.00 H new ATOM 0 HG SER A 22 2.714 -17.082 -9.922 1.00 0.00 H new ATOM 334 N ARG A 23 0.220 -12.604 -10.476 1.00 0.00 N ATOM 335 CA ARG A 23 0.170 -11.564 -11.489 1.00 0.00 C ATOM 336 C ARG A 23 0.184 -10.182 -10.831 1.00 0.00 C ATOM 337 O ARG A 23 0.364 -9.171 -11.508 1.00 0.00 O ATOM 338 CB ARG A 23 -1.086 -11.696 -12.353 1.00 0.00 C ATOM 339 CG ARG A 23 -0.720 -11.976 -13.812 1.00 0.00 C ATOM 340 CD ARG A 23 -0.128 -13.379 -13.971 1.00 0.00 C ATOM 341 NE ARG A 23 -0.402 -13.893 -15.330 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.169 -15.154 -15.718 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.345 -16.038 -14.850 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.449 -15.533 -16.972 1.00 0.00 N ATOM 0 H ARG A 23 -0.683 -12.848 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 23 1.048 -11.678 -12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.712 -12.502 -11.970 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.673 -10.779 -12.291 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.607 -11.879 -14.438 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.002 -11.233 -14.159 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.947 -13.351 -13.794 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.556 -14.050 -13.226 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.793 -13.247 -16.015 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.558 -15.750 -13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.523 -16.998 -15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.840 -14.861 -17.633 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.271 -16.493 -17.266 1.00 0.00 H new ATOM 358 N ILE A 24 -0.008 -10.184 -9.521 1.00 0.00 N ATOM 359 CA ILE A 24 -0.020 -8.944 -8.764 1.00 0.00 C ATOM 360 C ILE A 24 1.354 -8.726 -8.127 1.00 0.00 C ATOM 361 O ILE A 24 2.071 -9.686 -7.845 1.00 0.00 O ATOM 362 CB ILE A 24 -1.171 -8.941 -7.756 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.488 -9.333 -8.428 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.271 -7.592 -7.041 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.362 -10.159 -7.482 1.00 0.00 C ATOM 0 H ILE A 24 -0.157 -11.025 -8.964 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.204 -8.097 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.961 -9.693 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.025 -8.435 -8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.283 -9.906 -9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.097 -7.617 -6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.341 -7.392 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.447 -6.804 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.292 -10.424 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.832 -11.068 -7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.586 -9.574 -6.590 1.00 0.00 H new ATOM 377 N LYS A 25 1.682 -7.459 -7.921 1.00 0.00 N ATOM 378 CA LYS A 25 2.958 -7.104 -7.323 1.00 0.00 C ATOM 379 C LYS A 25 2.744 -6.745 -5.852 1.00 0.00 C ATOM 380 O LYS A 25 2.924 -7.585 -4.971 1.00 0.00 O ATOM 381 CB LYS A 25 3.640 -5.999 -8.132 1.00 0.00 C ATOM 382 CG LYS A 25 5.076 -5.776 -7.655 1.00 0.00 C ATOM 383 CD LYS A 25 6.083 -6.248 -8.706 1.00 0.00 C ATOM 384 CE LYS A 25 7.161 -5.188 -8.946 1.00 0.00 C ATOM 385 NZ LYS A 25 7.934 -5.504 -10.167 1.00 0.00 N ATOM 0 H LYS A 25 1.086 -6.666 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 25 3.640 -7.954 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.642 -6.266 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.074 -5.072 -8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.233 -4.718 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.240 -6.314 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.548 -7.177 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.565 -6.463 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.698 -4.206 -9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.830 -5.140 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.661 -4.776 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.391 -6.432 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.294 -5.527 -10.987 1.00 0.00 H new ATOM 399 N THR A 26 2.363 -5.495 -5.629 1.00 0.00 N ATOM 400 CA THR A 26 2.124 -5.015 -4.280 1.00 0.00 C ATOM 401 C THR A 26 0.669 -4.567 -4.123 1.00 0.00 C ATOM 402 O THR A 26 -0.103 -4.607 -5.081 1.00 0.00 O ATOM 403 CB THR A 26 3.135 -3.906 -3.985 1.00 0.00 C ATOM 404 OG1 THR A 26 3.041 -3.714 -2.577 1.00 0.00 O ATOM 405 CG2 THR A 26 2.714 -2.557 -4.574 1.00 0.00 C ATOM 0 H THR A 26 2.214 -4.801 -6.361 1.00 0.00 H new ATOM 0 HA THR A 26 2.268 -5.809 -3.548 1.00 0.00 H new ATOM 0 HB THR A 26 4.109 -4.189 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.666 -3.012 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.466 -1.805 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.620 -2.646 -5.656 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.755 -2.258 -4.150 1.00 0.00 H new ATOM 413 N TYR A 27 0.338 -4.150 -2.909 1.00 0.00 N ATOM 414 CA TYR A 27 -1.010 -3.695 -2.616 1.00 0.00 C ATOM 415 C TYR A 27 -0.992 -2.528 -1.628 1.00 0.00 C ATOM 416 O TYR A 27 -0.011 -2.332 -0.911 1.00 0.00 O ATOM 417 CB TYR A 27 -1.725 -4.884 -1.969 1.00 0.00 C ATOM 418 CG TYR A 27 -0.969 -5.497 -0.789 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.220 -6.163 -1.003 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.477 -5.384 0.489 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.932 -6.741 0.109 1.00 0.00 C ATOM 422 CE2 TYR A 27 -0.766 -5.962 1.600 1.00 0.00 C ATOM 423 CZ TYR A 27 0.404 -6.611 1.355 1.00 0.00 C ATOM 424 OH TYR A 27 1.075 -7.156 2.405 1.00 0.00 O ATOM 0 H TYR A 27 0.981 -4.118 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.505 -3.353 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.709 -4.562 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.885 -5.654 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.617 -6.251 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.408 -4.862 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.864 -7.265 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.153 -5.882 2.605 1.00 0.00 H new ATOM 0 HH TYR A 27 0.581 -6.984 3.234 1.00 0.00 H new ATOM 434 N THR A 28 -2.087 -1.782 -1.622 1.00 0.00 N ATOM 435 CA THR A 28 -2.209 -0.639 -0.733 1.00 0.00 C ATOM 436 C THR A 28 -3.648 -0.506 -0.230 1.00 0.00 C ATOM 437 O THR A 28 -4.581 -0.409 -1.025 1.00 0.00 O ATOM 438 CB THR A 28 -1.711 0.598 -1.483 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.423 0.846 -0.926 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.514 1.854 -1.139 1.00 0.00 C ATOM 0 H THR A 28 -2.898 -1.947 -2.219 1.00 0.00 H new ATOM 0 HA THR A 28 -1.596 -0.765 0.160 1.00 0.00 H new ATOM 0 HB THR A 28 -1.763 0.417 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.026 1.632 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.120 2.703 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.560 1.700 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.435 2.055 -0.071 1.00 0.00 H new ATOM 448 N ILE A 29 -3.783 -0.506 1.088 1.00 0.00 N ATOM 449 CA ILE A 29 -5.092 -0.386 1.707 1.00 0.00 C ATOM 450 C ILE A 29 -5.177 0.944 2.456 1.00 0.00 C ATOM 451 O ILE A 29 -4.234 1.337 3.141 1.00 0.00 O ATOM 452 CB ILE A 29 -5.384 -1.605 2.583 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.507 -2.874 1.735 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.623 -1.373 3.451 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.566 -4.121 2.619 1.00 0.00 C ATOM 0 H ILE A 29 -3.007 -0.587 1.745 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.873 -0.374 0.947 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.541 -1.750 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.404 -2.818 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.658 -2.945 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.808 -2.255 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.459 -0.510 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.486 -1.188 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.653 -5.008 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.657 -4.187 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.430 -4.058 3.280 1.00 0.00 H new ATOM 467 N THR A 30 -6.317 1.602 2.302 1.00 0.00 N ATOM 468 CA THR A 30 -6.538 2.881 2.956 1.00 0.00 C ATOM 469 C THR A 30 -7.492 2.716 4.142 1.00 0.00 C ATOM 470 O THR A 30 -8.091 1.657 4.317 1.00 0.00 O ATOM 471 CB THR A 30 -7.042 3.870 1.903 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.110 3.178 1.262 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.026 4.104 0.784 1.00 0.00 C ATOM 0 H THR A 30 -7.098 1.273 1.734 1.00 0.00 H new ATOM 0 HA THR A 30 -5.613 3.276 3.376 1.00 0.00 H new ATOM 0 HB THR A 30 -7.279 4.820 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.911 3.081 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.434 4.814 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.105 4.505 1.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.814 3.160 0.282 1.00 0.00 H new ATOM 481 N GLU A 31 -7.600 3.780 4.923 1.00 0.00 N ATOM 482 CA GLU A 31 -8.471 3.766 6.087 1.00 0.00 C ATOM 483 C GLU A 31 -9.543 4.851 5.960 1.00 0.00 C ATOM 484 O GLU A 31 -10.575 4.789 6.629 1.00 0.00 O ATOM 485 CB GLU A 31 -7.665 3.940 7.376 1.00 0.00 C ATOM 486 CG GLU A 31 -7.729 2.677 8.237 1.00 0.00 C ATOM 487 CD GLU A 31 -6.514 1.780 7.985 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.415 2.176 8.429 1.00 0.00 O ATOM 489 OE2 GLU A 31 -6.713 0.720 7.353 1.00 0.00 O ATOM 0 H GLU A 31 -7.100 4.656 4.774 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.967 2.796 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.627 4.166 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.052 4.789 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.770 2.952 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.644 2.127 8.015 1.00 0.00 H new ATOM 496 N GLY A 32 -9.264 5.817 5.099 1.00 0.00 N ATOM 497 CA GLY A 32 -10.191 6.913 4.876 1.00 0.00 C ATOM 498 C GLY A 32 -11.426 6.438 4.108 1.00 0.00 C ATOM 499 O GLY A 32 -11.585 5.244 3.859 1.00 0.00 O ATOM 0 H GLY A 32 -8.408 5.864 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.494 7.338 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.694 7.707 4.318 1.00 0.00 H new ATOM 503 N SER A 33 -12.267 7.398 3.752 1.00 0.00 N ATOM 504 CA SER A 33 -13.483 7.092 3.017 1.00 0.00 C ATOM 505 C SER A 33 -13.202 6.020 1.963 1.00 0.00 C ATOM 506 O SER A 33 -14.088 5.241 1.612 1.00 0.00 O ATOM 507 CB SER A 33 -14.056 8.349 2.355 1.00 0.00 C ATOM 508 OG SER A 33 -15.023 8.992 3.182 1.00 0.00 O ATOM 0 H SER A 33 -12.131 8.388 3.959 1.00 0.00 H new ATOM 0 HA SER A 33 -14.223 6.714 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.246 9.045 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.513 8.081 1.403 1.00 0.00 H new ATOM 0 HG SER A 33 -15.364 9.790 2.727 1.00 0.00 H new ATOM 514 N LEU A 34 -11.965 6.012 1.487 1.00 0.00 N ATOM 515 CA LEU A 34 -11.556 5.047 0.481 1.00 0.00 C ATOM 516 C LEU A 34 -11.673 3.635 1.059 1.00 0.00 C ATOM 517 O LEU A 34 -12.428 2.811 0.545 1.00 0.00 O ATOM 518 CB LEU A 34 -10.160 5.383 -0.046 1.00 0.00 C ATOM 519 CG LEU A 34 -10.021 5.468 -1.568 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.617 5.928 -1.965 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.397 4.141 -2.228 1.00 0.00 C ATOM 0 H LEU A 34 -11.233 6.659 1.780 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.217 5.093 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.852 6.337 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.463 4.629 0.321 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.722 6.219 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.545 5.980 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.423 6.913 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.881 5.219 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.289 4.229 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.740 3.353 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.430 3.894 -1.985 1.00 0.00 H new ATOM 533 N ARG A 35 -10.912 3.398 2.118 1.00 0.00 N ATOM 534 CA ARG A 35 -10.919 2.100 2.769 1.00 0.00 C ATOM 535 C ARG A 35 -11.068 0.985 1.732 1.00 0.00 C ATOM 536 O ARG A 35 -11.880 0.078 1.902 1.00 0.00 O ATOM 537 CB ARG A 35 -12.063 2.000 3.782 1.00 0.00 C ATOM 538 CG ARG A 35 -11.575 1.393 5.100 1.00 0.00 C ATOM 539 CD ARG A 35 -11.066 -0.035 4.892 1.00 0.00 C ATOM 540 NE ARG A 35 -12.173 -0.999 5.078 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.999 -2.286 5.410 1.00 0.00 C ATOM 542 NH1 ARG A 35 -10.764 -2.770 5.595 1.00 0.00 N ATOM 543 NH2 ARG A 35 -13.062 -3.088 5.558 1.00 0.00 N ATOM 0 H ARG A 35 -10.287 4.084 2.541 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.970 1.987 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.479 2.991 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.866 1.388 3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.778 2.010 5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.388 1.391 5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.647 -0.138 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.263 -0.250 5.597 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.127 -0.664 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.955 -2.159 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.633 -3.749 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.003 -2.719 5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.931 -4.067 5.811 1.00 0.00 H new ATOM 557 N ALA A 36 -10.270 1.091 0.679 1.00 0.00 N ATOM 558 CA ALA A 36 -10.301 0.103 -0.386 1.00 0.00 C ATOM 559 C ALA A 36 -8.907 -0.500 -0.557 1.00 0.00 C ATOM 560 O ALA A 36 -7.909 0.120 -0.194 1.00 0.00 O ATOM 561 CB ALA A 36 -10.817 0.754 -1.671 1.00 0.00 C ATOM 0 H ALA A 36 -9.598 1.846 0.541 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.983 -0.710 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.840 0.013 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.823 1.140 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.156 1.573 -1.955 1.00 0.00 H new ATOM 567 N VAL A 37 -8.881 -1.704 -1.111 1.00 0.00 N ATOM 568 CA VAL A 37 -7.626 -2.399 -1.335 1.00 0.00 C ATOM 569 C VAL A 37 -7.171 -2.170 -2.778 1.00 0.00 C ATOM 570 O VAL A 37 -7.871 -2.540 -3.719 1.00 0.00 O ATOM 571 CB VAL A 37 -7.777 -3.881 -0.984 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.697 -4.066 0.225 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.283 -4.680 -2.185 1.00 0.00 C ATOM 0 H VAL A 37 -9.711 -2.216 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.849 -2.002 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.792 -4.265 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.788 -5.128 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.277 -3.544 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.682 -3.658 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.381 -5.730 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.254 -4.294 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.575 -4.587 -3.008 1.00 0.00 H new ATOM 583 N ILE A 38 -6.002 -1.560 -2.908 1.00 0.00 N ATOM 584 CA ILE A 38 -5.446 -1.278 -4.219 1.00 0.00 C ATOM 585 C ILE A 38 -4.417 -2.352 -4.575 1.00 0.00 C ATOM 586 O ILE A 38 -3.419 -2.518 -3.874 1.00 0.00 O ATOM 587 CB ILE A 38 -4.890 0.147 -4.271 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.981 1.172 -3.956 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.213 0.424 -5.614 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.944 1.328 -5.135 1.00 0.00 C ATOM 0 H ILE A 38 -5.424 -1.253 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.226 -1.319 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.125 0.243 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.533 0.860 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.525 2.135 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.827 1.443 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.391 -0.277 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.938 0.303 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.710 2.062 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.393 1.664 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.417 0.369 -5.348 1.00 0.00 H new ATOM 602 N PHE A 39 -4.694 -3.055 -5.663 1.00 0.00 N ATOM 603 CA PHE A 39 -3.805 -4.110 -6.120 1.00 0.00 C ATOM 604 C PHE A 39 -2.949 -3.634 -7.296 1.00 0.00 C ATOM 605 O PHE A 39 -3.476 -3.296 -8.355 1.00 0.00 O ATOM 606 CB PHE A 39 -4.688 -5.270 -6.584 1.00 0.00 C ATOM 607 CG PHE A 39 -5.181 -6.169 -5.448 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.310 -6.608 -4.501 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.491 -6.529 -5.386 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.768 -7.442 -3.447 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.949 -7.363 -4.332 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.078 -7.802 -3.385 1.00 0.00 C ATOM 0 H PHE A 39 -5.522 -2.915 -6.242 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.135 -4.407 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.550 -4.867 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.129 -5.876 -7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.270 -6.322 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.183 -6.181 -6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.076 -7.790 -2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.989 -7.649 -4.283 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.426 -8.437 -2.584 1.00 0.00 H new ATOM 622 N ILE A 40 -1.644 -3.623 -7.071 1.00 0.00 N ATOM 623 CA ILE A 40 -0.710 -3.195 -8.098 1.00 0.00 C ATOM 624 C ILE A 40 -0.073 -4.424 -8.747 1.00 0.00 C ATOM 625 O ILE A 40 0.459 -5.291 -8.054 1.00 0.00 O ATOM 626 CB ILE A 40 0.307 -2.208 -7.521 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.348 -1.289 -6.486 1.00 0.00 C ATOM 628 CG2 ILE A 40 0.996 -1.417 -8.634 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.665 -0.293 -5.919 1.00 0.00 C ATOM 0 H ILE A 40 -1.211 -3.904 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.234 -2.653 -8.886 1.00 0.00 H new ATOM 0 HB ILE A 40 1.080 -2.777 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.176 -0.749 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.767 -1.887 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.714 -0.723 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.516 -2.105 -9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.250 -0.859 -9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.174 0.348 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.479 -0.836 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.064 0.320 -6.727 1.00 0.00 H new ATOM 641 N THR A 41 -0.146 -4.462 -10.069 1.00 0.00 N ATOM 642 CA THR A 41 0.417 -5.572 -10.819 1.00 0.00 C ATOM 643 C THR A 41 1.792 -5.196 -11.376 1.00 0.00 C ATOM 644 O THR A 41 2.159 -4.022 -11.392 1.00 0.00 O ATOM 645 CB THR A 41 -0.588 -5.970 -11.902 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.271 -4.756 -12.205 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.687 -6.892 -11.370 1.00 0.00 C ATOM 0 H THR A 41 -0.587 -3.741 -10.641 1.00 0.00 H new ATOM 0 HA THR A 41 0.585 -6.437 -10.178 1.00 0.00 H new ATOM 0 HB THR A 41 -0.063 -6.464 -12.720 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.926 -4.565 -11.502 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.373 -7.144 -12.178 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.238 -7.804 -10.977 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.234 -6.385 -10.575 1.00 0.00 H new ATOM 655 N LYS A 42 2.514 -6.214 -11.819 1.00 0.00 N ATOM 656 CA LYS A 42 3.841 -6.006 -12.374 1.00 0.00 C ATOM 657 C LYS A 42 3.734 -5.120 -13.617 1.00 0.00 C ATOM 658 O LYS A 42 4.713 -4.496 -14.024 1.00 0.00 O ATOM 659 CB LYS A 42 4.530 -7.347 -12.633 1.00 0.00 C ATOM 660 CG LYS A 42 4.842 -8.065 -11.319 1.00 0.00 C ATOM 661 CD LYS A 42 4.585 -9.569 -11.441 1.00 0.00 C ATOM 662 CE LYS A 42 3.085 -9.868 -11.479 1.00 0.00 C ATOM 663 NZ LYS A 42 2.669 -10.260 -12.845 1.00 0.00 N ATOM 0 H LYS A 42 2.205 -7.186 -11.805 1.00 0.00 H new ATOM 0 HA LYS A 42 4.475 -5.481 -11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.890 -7.975 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.452 -7.184 -13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.882 -7.891 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.227 -7.651 -10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.058 -9.950 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.042 -10.089 -10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.850 -10.668 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.525 -8.989 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.698 -9.930 -13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.312 -9.830 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.705 -11.295 -12.935 1.00 0.00 H new ATOM 677 N ARG A 43 2.538 -5.092 -14.185 1.00 0.00 N ATOM 678 CA ARG A 43 2.291 -4.292 -15.373 1.00 0.00 C ATOM 679 C ARG A 43 2.195 -2.811 -15.004 1.00 0.00 C ATOM 680 O ARG A 43 2.341 -1.942 -15.863 1.00 0.00 O ATOM 681 CB ARG A 43 0.998 -4.723 -16.068 1.00 0.00 C ATOM 682 CG ARG A 43 0.983 -4.268 -17.529 1.00 0.00 C ATOM 683 CD ARG A 43 -0.353 -3.611 -17.885 1.00 0.00 C ATOM 684 NE ARG A 43 -0.147 -2.580 -18.926 1.00 0.00 N ATOM 685 CZ ARG A 43 -1.138 -1.884 -19.499 1.00 0.00 C ATOM 686 NH1 ARG A 43 -2.409 -2.106 -19.136 1.00 0.00 N ATOM 687 NH2 ARG A 43 -0.859 -0.967 -20.436 1.00 0.00 N ATOM 0 H ARG A 43 1.728 -5.611 -13.845 1.00 0.00 H new ATOM 0 HA ARG A 43 3.126 -4.446 -16.057 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.899 -5.807 -16.020 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.141 -4.301 -15.543 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.796 -3.564 -17.703 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.157 -5.123 -18.182 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.055 -4.365 -18.242 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.794 -3.160 -16.996 1.00 0.00 H new ATOM 0 HE ARG A 43 0.809 -2.387 -19.226 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.621 -2.805 -18.424 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.164 -1.576 -19.572 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.108 -0.799 -20.713 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.614 -0.437 -20.872 1.00 0.00 H new ATOM 701 N GLY A 44 1.949 -2.566 -13.725 1.00 0.00 N ATOM 702 CA GLY A 44 1.830 -1.204 -13.233 1.00 0.00 C ATOM 703 C GLY A 44 0.362 -0.790 -13.110 1.00 0.00 C ATOM 704 O GLY A 44 0.062 0.325 -12.688 1.00 0.00 O ATOM 0 H GLY A 44 1.829 -3.288 -13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.317 -1.121 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.348 -0.523 -13.909 1.00 0.00 H new ATOM 708 N LEU A 45 -0.512 -1.711 -13.488 1.00 0.00 N ATOM 709 CA LEU A 45 -1.942 -1.456 -13.427 1.00 0.00 C ATOM 710 C LEU A 45 -2.429 -1.661 -11.992 1.00 0.00 C ATOM 711 O LEU A 45 -2.344 -2.764 -11.455 1.00 0.00 O ATOM 712 CB LEU A 45 -2.683 -2.310 -14.457 1.00 0.00 C ATOM 713 CG LEU A 45 -4.076 -2.795 -14.048 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.944 -1.628 -13.572 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.740 -3.577 -15.184 1.00 0.00 C ATOM 0 H LEU A 45 -0.258 -2.635 -13.838 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.157 -0.421 -13.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.776 -1.734 -15.378 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.069 -3.181 -14.687 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.966 -3.480 -13.207 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.928 -1.999 -13.287 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.473 -1.151 -12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.049 -0.901 -14.377 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.728 -3.910 -14.867 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.837 -2.935 -16.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.128 -4.444 -15.435 1.00 0.00 H new ATOM 727 N LYS A 46 -2.932 -0.580 -11.411 1.00 0.00 N ATOM 728 CA LYS A 46 -3.434 -0.627 -10.049 1.00 0.00 C ATOM 729 C LYS A 46 -4.964 -0.623 -10.074 1.00 0.00 C ATOM 730 O LYS A 46 -5.575 0.162 -10.796 1.00 0.00 O ATOM 731 CB LYS A 46 -2.830 0.505 -9.216 1.00 0.00 C ATOM 732 CG LYS A 46 -1.508 0.984 -9.819 1.00 0.00 C ATOM 733 CD LYS A 46 -0.535 1.430 -8.725 1.00 0.00 C ATOM 734 CE LYS A 46 -1.160 2.513 -7.843 1.00 0.00 C ATOM 735 NZ LYS A 46 -1.161 3.816 -8.543 1.00 0.00 N ATOM 0 H LYS A 46 -3.002 0.333 -11.860 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.125 -1.551 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.532 1.337 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.665 0.162 -8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.059 0.181 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.695 1.811 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.255 0.574 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.380 1.810 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.181 2.233 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.603 2.596 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.589 4.539 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.183 4.089 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.712 3.738 -9.422 1.00 0.00 H new ATOM 749 N VAL A 47 -5.539 -1.512 -9.276 1.00 0.00 N ATOM 750 CA VAL A 47 -6.985 -1.621 -9.197 1.00 0.00 C ATOM 751 C VAL A 47 -7.409 -1.685 -7.729 1.00 0.00 C ATOM 752 O VAL A 47 -6.673 -2.202 -6.889 1.00 0.00 O ATOM 753 CB VAL A 47 -7.465 -2.826 -10.010 1.00 0.00 C ATOM 754 CG1 VAL A 47 -8.716 -3.446 -9.386 1.00 0.00 C ATOM 755 CG2 VAL A 47 -7.714 -2.439 -11.469 1.00 0.00 C ATOM 0 H VAL A 47 -5.029 -2.163 -8.679 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.457 -0.741 -9.634 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.675 -3.577 -9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.036 -4.300 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.491 -3.776 -8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.514 -2.704 -9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.054 -3.313 -12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.476 -1.661 -11.514 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.789 -2.067 -11.910 1.00 0.00 H new ATOM 765 N CYS A 48 -8.593 -1.152 -7.463 1.00 0.00 N ATOM 766 CA CYS A 48 -9.122 -1.142 -6.110 1.00 0.00 C ATOM 767 C CYS A 48 -10.071 -2.332 -5.957 1.00 0.00 C ATOM 768 O CYS A 48 -10.647 -2.801 -6.936 1.00 0.00 O ATOM 769 CB CYS A 48 -9.812 0.184 -5.783 1.00 0.00 C ATOM 770 SG CYS A 48 -11.507 0.353 -6.452 1.00 0.00 S ATOM 0 H CYS A 48 -9.201 -0.724 -8.162 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.304 -1.237 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.851 0.300 -4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.201 1.000 -6.169 1.00 0.00 H new ATOM 775 N ALA A 49 -10.203 -2.787 -4.719 1.00 0.00 N ATOM 776 CA ALA A 49 -11.072 -3.914 -4.424 1.00 0.00 C ATOM 777 C ALA A 49 -11.582 -3.797 -2.987 1.00 0.00 C ATOM 778 O ALA A 49 -10.941 -3.169 -2.147 1.00 0.00 O ATOM 779 CB ALA A 49 -10.314 -5.220 -4.671 1.00 0.00 C ATOM 0 H ALA A 49 -9.723 -2.395 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.941 -3.912 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.965 -6.066 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.000 -5.267 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.437 -5.259 -4.026 1.00 0.00 H new ATOM 785 N ASP A 50 -12.730 -4.412 -2.749 1.00 0.00 N ATOM 786 CA ASP A 50 -13.334 -4.384 -1.427 1.00 0.00 C ATOM 787 C ASP A 50 -12.660 -5.435 -0.542 1.00 0.00 C ATOM 788 O ASP A 50 -12.471 -6.577 -0.961 1.00 0.00 O ATOM 789 CB ASP A 50 -14.827 -4.712 -1.497 1.00 0.00 C ATOM 790 CG ASP A 50 -15.761 -3.543 -1.178 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.268 -2.575 -0.558 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.947 -3.643 -1.561 1.00 0.00 O ATOM 0 H ASP A 50 -13.259 -4.933 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.204 -3.383 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.057 -5.078 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.038 -5.526 -0.803 1.00 0.00 H new ATOM 797 N PRO A 51 -12.308 -5.002 0.698 1.00 0.00 N ATOM 798 CA PRO A 51 -11.660 -5.892 1.646 1.00 0.00 C ATOM 799 C PRO A 51 -12.661 -6.884 2.239 1.00 0.00 C ATOM 800 O PRO A 51 -12.307 -7.690 3.099 1.00 0.00 O ATOM 801 CB PRO A 51 -11.043 -4.974 2.689 1.00 0.00 C ATOM 802 CG PRO A 51 -11.757 -3.641 2.545 1.00 0.00 C ATOM 803 CD PRO A 51 -12.517 -3.658 1.228 1.00 0.00 C ATOM 0 HA PRO A 51 -10.896 -6.516 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.172 -5.380 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.971 -4.863 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.441 -3.483 3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.040 -2.820 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.577 -3.452 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.140 -2.899 0.543 1.00 0.00 H new ATOM 811 N GLN A 52 -13.892 -6.793 1.759 1.00 0.00 N ATOM 812 CA GLN A 52 -14.947 -7.672 2.231 1.00 0.00 C ATOM 813 C GLN A 52 -14.868 -9.026 1.522 1.00 0.00 C ATOM 814 O GLN A 52 -15.400 -10.020 2.012 1.00 0.00 O ATOM 815 CB GLN A 52 -16.323 -7.032 2.037 1.00 0.00 C ATOM 816 CG GLN A 52 -17.317 -7.540 3.084 1.00 0.00 C ATOM 817 CD GLN A 52 -17.627 -6.455 4.118 1.00 0.00 C ATOM 818 OE1 GLN A 52 -16.802 -5.616 4.440 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.858 -6.520 4.618 1.00 0.00 N ATOM 0 H GLN A 52 -14.182 -6.123 1.047 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.805 -7.834 3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.237 -5.948 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.695 -7.257 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.238 -7.854 2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.907 -8.418 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.498 -7.249 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.162 -5.841 5.316 1.00 0.00 H new ATOM 828 N ALA A 53 -14.200 -9.020 0.377 1.00 0.00 N ATOM 829 CA ALA A 53 -14.044 -10.235 -0.405 1.00 0.00 C ATOM 830 C ALA A 53 -13.064 -11.171 0.306 1.00 0.00 C ATOM 831 O ALA A 53 -11.991 -10.746 0.730 1.00 0.00 O ATOM 832 CB ALA A 53 -13.586 -9.875 -1.820 1.00 0.00 C ATOM 0 H ALA A 53 -13.761 -8.193 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.995 -10.760 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.469 -10.786 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.330 -9.233 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.632 -9.350 -1.771 1.00 0.00 H new ATOM 838 N THR A 54 -13.469 -12.428 0.413 1.00 0.00 N ATOM 839 CA THR A 54 -12.640 -13.429 1.063 1.00 0.00 C ATOM 840 C THR A 54 -11.379 -13.694 0.240 1.00 0.00 C ATOM 841 O THR A 54 -10.303 -13.908 0.797 1.00 0.00 O ATOM 842 CB THR A 54 -13.495 -14.678 1.286 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.525 -14.242 2.169 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.757 -15.759 2.079 1.00 0.00 C ATOM 0 H THR A 54 -14.361 -12.776 0.060 1.00 0.00 H new ATOM 0 HA THR A 54 -12.288 -13.081 2.034 1.00 0.00 H new ATOM 0 HB THR A 54 -13.804 -15.082 0.322 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.127 -14.990 2.365 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.408 -16.623 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.860 -16.059 1.537 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.476 -15.366 3.056 1.00 0.00 H new ATOM 852 N TRP A 55 -11.552 -13.671 -1.073 1.00 0.00 N ATOM 853 CA TRP A 55 -10.440 -13.907 -1.979 1.00 0.00 C ATOM 854 C TRP A 55 -9.536 -12.673 -1.948 1.00 0.00 C ATOM 855 O TRP A 55 -8.313 -12.795 -1.979 1.00 0.00 O ATOM 856 CB TRP A 55 -10.941 -14.247 -3.384 1.00 0.00 C ATOM 857 CG TRP A 55 -11.135 -13.027 -4.287 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.221 -12.249 -4.402 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.167 -12.473 -5.204 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.024 -11.239 -5.321 1.00 0.00 N ATOM 861 CE2 TRP A 55 -10.736 -11.380 -5.824 1.00 0.00 C ATOM 862 CE3 TRP A 55 -8.856 -12.883 -5.500 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.066 -10.605 -6.779 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.199 -12.099 -6.456 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.758 -10.995 -7.089 1.00 0.00 C ATOM 0 H TRP A 55 -12.445 -13.493 -1.532 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.859 -14.772 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.232 -14.927 -3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.888 -14.780 -3.302 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.135 -12.395 -3.845 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.699 -10.521 -5.583 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.392 -13.736 -5.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.533 -9.753 -7.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.188 -12.371 -6.720 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.185 -10.440 -7.817 1.00 0.00 H new ATOM 876 N VAL A 56 -10.173 -11.513 -1.887 1.00 0.00 N ATOM 877 CA VAL A 56 -9.441 -10.258 -1.852 1.00 0.00 C ATOM 878 C VAL A 56 -8.557 -10.224 -0.604 1.00 0.00 C ATOM 879 O VAL A 56 -7.358 -9.959 -0.695 1.00 0.00 O ATOM 880 CB VAL A 56 -10.416 -9.082 -1.926 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.722 -7.770 -1.554 1.00 0.00 C ATOM 882 CG2 VAL A 56 -11.059 -8.988 -3.311 1.00 0.00 C ATOM 0 H VAL A 56 -11.188 -11.416 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.785 -10.174 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.209 -9.259 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.438 -6.950 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.334 -7.839 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.899 -7.585 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.748 -8.143 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.283 -8.846 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.605 -9.908 -3.522 1.00 0.00 H new ATOM 892 N ARG A 57 -9.181 -10.495 0.533 1.00 0.00 N ATOM 893 CA ARG A 57 -8.465 -10.499 1.798 1.00 0.00 C ATOM 894 C ARG A 57 -7.470 -11.660 1.841 1.00 0.00 C ATOM 895 O ARG A 57 -6.408 -11.550 2.453 1.00 0.00 O ATOM 896 CB ARG A 57 -9.432 -10.620 2.977 1.00 0.00 C ATOM 897 CG ARG A 57 -10.245 -11.914 2.890 1.00 0.00 C ATOM 898 CD ARG A 57 -11.418 -11.892 3.871 1.00 0.00 C ATOM 899 NE ARG A 57 -11.625 -13.241 4.443 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.857 -13.777 5.400 1.00 0.00 C ATOM 901 NH1 ARG A 57 -9.826 -13.082 5.899 1.00 0.00 N ATOM 902 NH2 ARG A 57 -11.120 -15.008 5.859 1.00 0.00 N ATOM 0 H ARG A 57 -10.175 -10.713 0.605 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.928 -9.554 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.874 -10.599 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.106 -9.763 2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.618 -12.045 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.602 -12.767 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.222 -11.176 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.323 -11.561 3.361 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.402 -13.798 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.626 -12.145 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.241 -13.490 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.905 -15.537 5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.535 -15.416 6.588 1.00 0.00 H new ATOM 916 N ASP A 58 -7.849 -12.747 1.185 1.00 0.00 N ATOM 917 CA ASP A 58 -7.003 -13.928 1.141 1.00 0.00 C ATOM 918 C ASP A 58 -5.770 -13.635 0.283 1.00 0.00 C ATOM 919 O ASP A 58 -4.659 -14.028 0.634 1.00 0.00 O ATOM 920 CB ASP A 58 -7.742 -15.113 0.516 1.00 0.00 C ATOM 921 CG ASP A 58 -8.355 -16.093 1.519 1.00 0.00 C ATOM 922 OD1 ASP A 58 -8.799 -15.613 2.584 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.367 -17.301 1.196 1.00 0.00 O ATOM 0 H ASP A 58 -8.731 -12.835 0.680 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.720 -14.178 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.535 -14.730 -0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.048 -15.658 -0.124 1.00 0.00 H new ATOM 928 N VAL A 59 -6.009 -12.949 -0.824 1.00 0.00 N ATOM 929 CA VAL A 59 -4.932 -12.599 -1.735 1.00 0.00 C ATOM 930 C VAL A 59 -3.999 -11.596 -1.053 1.00 0.00 C ATOM 931 O VAL A 59 -2.784 -11.647 -1.238 1.00 0.00 O ATOM 932 CB VAL A 59 -5.509 -12.079 -3.053 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.478 -11.236 -3.807 1.00 0.00 C ATOM 934 CG2 VAL A 59 -6.017 -13.232 -3.921 1.00 0.00 C ATOM 0 H VAL A 59 -6.933 -12.626 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.339 -13.480 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.359 -11.438 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.913 -10.878 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.185 -10.384 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.600 -11.844 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.422 -12.835 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.193 -13.910 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.798 -13.773 -3.387 1.00 0.00 H new ATOM 944 N VAL A 60 -4.604 -10.706 -0.278 1.00 0.00 N ATOM 945 CA VAL A 60 -3.843 -9.693 0.432 1.00 0.00 C ATOM 946 C VAL A 60 -2.833 -10.374 1.357 1.00 0.00 C ATOM 947 O VAL A 60 -1.693 -9.927 1.476 1.00 0.00 O ATOM 948 CB VAL A 60 -4.791 -8.750 1.173 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.065 -8.016 2.303 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.446 -7.759 0.208 1.00 0.00 C ATOM 0 H VAL A 60 -5.612 -10.666 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.278 -9.079 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.581 -9.354 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.763 -7.352 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.670 -8.742 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.245 -7.430 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.115 -7.100 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.675 -7.164 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.015 -8.306 -0.544 1.00 0.00 H new ATOM 960 N ARG A 61 -3.288 -11.445 1.990 1.00 0.00 N ATOM 961 CA ARG A 61 -2.438 -12.194 2.901 1.00 0.00 C ATOM 962 C ARG A 61 -1.222 -12.751 2.158 1.00 0.00 C ATOM 963 O ARG A 61 -0.094 -12.642 2.636 1.00 0.00 O ATOM 964 CB ARG A 61 -3.206 -13.349 3.547 1.00 0.00 C ATOM 965 CG ARG A 61 -2.414 -13.952 4.709 1.00 0.00 C ATOM 966 CD ARG A 61 -1.286 -14.849 4.197 1.00 0.00 C ATOM 967 NE ARG A 61 -1.242 -16.104 4.980 1.00 0.00 N ATOM 968 CZ ARG A 61 -0.373 -17.099 4.756 1.00 0.00 C ATOM 969 NH1 ARG A 61 0.530 -16.991 3.773 1.00 0.00 N ATOM 970 NH2 ARG A 61 -0.406 -18.202 5.517 1.00 0.00 N ATOM 0 H ARG A 61 -4.234 -11.812 1.890 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.107 -11.510 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.171 -12.993 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.408 -14.118 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.998 -13.153 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.082 -14.530 5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.440 -15.074 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.332 -14.328 4.276 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.915 -16.219 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.556 -16.151 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.191 -17.749 3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.093 -18.284 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.256 -18.959 5.346 1.00 0.00 H new ATOM 984 N SER A 62 -1.494 -13.336 1.000 1.00 0.00 N ATOM 985 CA SER A 62 -0.437 -13.910 0.185 1.00 0.00 C ATOM 986 C SER A 62 0.381 -12.797 -0.472 1.00 0.00 C ATOM 987 O SER A 62 1.603 -12.896 -0.573 1.00 0.00 O ATOM 988 CB SER A 62 -1.009 -14.847 -0.879 1.00 0.00 C ATOM 989 OG SER A 62 -0.105 -15.899 -1.207 1.00 0.00 O ATOM 0 H SER A 62 -2.431 -13.425 0.607 1.00 0.00 H new ATOM 0 HA SER A 62 0.214 -14.496 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.946 -15.273 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.242 -14.276 -1.778 1.00 0.00 H new ATOM 0 HG SER A 62 -0.508 -16.476 -1.889 1.00 0.00 H new ATOM 995 N MET A 63 -0.326 -11.761 -0.901 1.00 0.00 N ATOM 996 CA MET A 63 0.319 -10.630 -1.546 1.00 0.00 C ATOM 997 C MET A 63 1.621 -10.261 -0.833 1.00 0.00 C ATOM 998 O MET A 63 2.573 -9.808 -1.465 1.00 0.00 O ATOM 999 CB MET A 63 -0.628 -9.428 -1.535 1.00 0.00 C ATOM 1000 CG MET A 63 -1.599 -9.486 -2.716 1.00 0.00 C ATOM 1001 SD MET A 63 -1.446 -8.007 -3.705 1.00 0.00 S ATOM 1002 CE MET A 63 0.269 -8.132 -4.186 1.00 0.00 C ATOM 0 H MET A 63 -1.339 -11.682 -0.814 1.00 0.00 H new ATOM 0 HA MET A 63 0.556 -10.908 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.188 -9.410 -0.600 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.050 -8.505 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.390 -10.365 -3.326 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.622 -9.586 -2.352 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.534 -7.281 -4.813 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.897 -8.136 -3.295 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.424 -9.056 -4.744 1.00 0.00 H new ATOM 1012 N ASP A 64 1.620 -10.469 0.477 1.00 0.00 N ATOM 1013 CA ASP A 64 2.789 -10.163 1.283 1.00 0.00 C ATOM 1014 C ASP A 64 3.987 -10.957 0.758 1.00 0.00 C ATOM 1015 O ASP A 64 5.076 -10.408 0.595 1.00 0.00 O ATOM 1016 CB ASP A 64 2.566 -10.555 2.746 1.00 0.00 C ATOM 1017 CG ASP A 64 3.390 -9.759 3.761 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.395 -9.156 3.327 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.995 -9.773 4.946 1.00 0.00 O ATOM 0 H ASP A 64 0.828 -10.845 0.999 1.00 0.00 H new ATOM 0 HA ASP A 64 2.971 -9.090 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.509 -10.432 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.798 -11.614 2.862 1.00 0.00 H new ATOM 1024 N ARG A 65 3.746 -12.236 0.508 1.00 0.00 N ATOM 1025 CA ARG A 65 4.791 -13.110 0.006 1.00 0.00 C ATOM 1026 C ARG A 65 5.121 -12.763 -1.447 1.00 0.00 C ATOM 1027 O ARG A 65 6.283 -12.799 -1.850 1.00 0.00 O ATOM 1028 CB ARG A 65 4.369 -14.579 0.089 1.00 0.00 C ATOM 1029 CG ARG A 65 5.189 -15.440 -0.874 1.00 0.00 C ATOM 1030 CD ARG A 65 5.411 -16.842 -0.302 1.00 0.00 C ATOM 1031 NE ARG A 65 6.748 -17.342 -0.692 1.00 0.00 N ATOM 1032 CZ ARG A 65 7.074 -17.724 -1.934 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.163 -17.665 -2.914 1.00 0.00 N ATOM 1034 NH2 ARG A 65 8.312 -18.165 -2.196 1.00 0.00 N ATOM 0 H ARG A 65 2.841 -12.687 0.644 1.00 0.00 H new ATOM 0 HA ARG A 65 5.674 -12.962 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.500 -14.942 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.309 -14.671 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.674 -15.511 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.151 -14.964 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.325 -16.818 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.639 -17.519 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 65 7.466 -17.399 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.221 -17.329 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.412 -17.956 -3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.006 -18.210 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.560 -18.456 -3.142 1.00 0.00 H new ATOM 1048 N LYS A 66 4.077 -12.434 -2.195 1.00 0.00 N ATOM 1049 CA LYS A 66 4.241 -12.080 -3.595 1.00 0.00 C ATOM 1050 C LYS A 66 5.089 -10.811 -3.699 1.00 0.00 C ATOM 1051 O LYS A 66 5.878 -10.663 -4.631 1.00 0.00 O ATOM 1052 CB LYS A 66 2.878 -11.967 -4.281 1.00 0.00 C ATOM 1053 CG LYS A 66 3.020 -11.378 -5.687 1.00 0.00 C ATOM 1054 CD LYS A 66 3.347 -12.470 -6.708 1.00 0.00 C ATOM 1055 CE LYS A 66 4.804 -12.375 -7.165 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.337 -13.719 -7.479 1.00 0.00 N ATOM 0 H LYS A 66 3.115 -12.405 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 66 4.776 -12.866 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.414 -12.951 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.217 -11.338 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.095 -10.876 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.807 -10.623 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.163 -13.450 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.685 -12.378 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.875 -11.735 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.407 -11.912 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.327 -13.637 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.288 -14.319 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.772 -14.148 -8.240 1.00 0.00 H new ATOM 1070 N SER A 67 4.898 -9.928 -2.730 1.00 0.00 N ATOM 1071 CA SER A 67 5.636 -8.677 -2.702 1.00 0.00 C ATOM 1072 C SER A 67 6.671 -8.705 -1.575 1.00 0.00 C ATOM 1073 O SER A 67 6.912 -7.690 -0.924 1.00 0.00 O ATOM 1074 CB SER A 67 4.692 -7.485 -2.525 1.00 0.00 C ATOM 1075 OG SER A 67 5.051 -6.392 -3.367 1.00 0.00 O ATOM 0 H SER A 67 4.243 -10.054 -1.958 1.00 0.00 H new ATOM 0 HA SER A 67 6.150 -8.562 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.671 -7.795 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.707 -7.162 -1.484 1.00 0.00 H new ATOM 0 HG SER A 67 5.016 -6.676 -4.304 1.00 0.00 H new ATOM 1081 N ASN A 68 7.256 -9.878 -1.381 1.00 0.00 N ATOM 1082 CA ASN A 68 8.260 -10.052 -0.345 1.00 0.00 C ATOM 1083 C ASN A 68 9.289 -8.924 -0.444 1.00 0.00 C ATOM 1084 O ASN A 68 9.555 -8.233 0.537 1.00 0.00 O ATOM 1085 CB ASN A 68 8.998 -11.381 -0.512 1.00 0.00 C ATOM 1086 CG ASN A 68 8.841 -12.255 0.735 1.00 0.00 C ATOM 1087 OD1 ASN A 68 7.839 -12.922 0.935 1.00 0.00 O ATOM 1088 ND2 ASN A 68 9.883 -12.214 1.559 1.00 0.00 N ATOM 0 H ASN A 68 7.054 -10.717 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 68 7.755 -10.039 0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.610 -11.910 -1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.055 -11.193 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.875 -12.762 2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.691 -11.634 1.331 1.00 0.00 H new ATOM 1095 N THR A 69 9.841 -8.773 -1.639 1.00 0.00 N ATOM 1096 CA THR A 69 10.835 -7.741 -1.879 1.00 0.00 C ATOM 1097 C THR A 69 10.201 -6.545 -2.593 1.00 0.00 C ATOM 1098 O THR A 69 10.760 -6.026 -3.558 1.00 0.00 O ATOM 1099 CB THR A 69 11.992 -8.370 -2.659 1.00 0.00 C ATOM 1100 OG1 THR A 69 12.974 -7.340 -2.716 1.00 0.00 O ATOM 1101 CG2 THR A 69 11.638 -8.629 -4.124 1.00 0.00 C ATOM 0 H THR A 69 9.619 -9.348 -2.451 1.00 0.00 H new ATOM 0 HA THR A 69 11.231 -7.348 -0.942 1.00 0.00 H new ATOM 0 HB THR A 69 12.282 -9.308 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.575 -6.528 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.493 -9.076 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.788 -9.309 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.380 -7.687 -4.608 1.00 0.00 H new ATOM 1109 N ARG A 70 9.042 -6.143 -2.092 1.00 0.00 N ATOM 1110 CA ARG A 70 8.326 -5.019 -2.670 1.00 0.00 C ATOM 1111 C ARG A 70 9.285 -3.853 -2.923 1.00 0.00 C ATOM 1112 O ARG A 70 9.242 -3.228 -3.982 1.00 0.00 O ATOM 1113 CB ARG A 70 7.199 -4.551 -1.747 1.00 0.00 C ATOM 1114 CG ARG A 70 7.759 -3.878 -0.493 1.00 0.00 C ATOM 1115 CD ARG A 70 6.655 -3.629 0.536 1.00 0.00 C ATOM 1116 NE ARG A 70 6.658 -2.208 0.950 1.00 0.00 N ATOM 1117 CZ ARG A 70 5.607 -1.582 1.495 1.00 0.00 C ATOM 1118 NH1 ARG A 70 4.460 -2.247 1.693 1.00 0.00 N ATOM 1119 NH2 ARG A 70 5.701 -0.291 1.840 1.00 0.00 N ATOM 0 H ARG A 70 8.581 -6.576 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 70 7.894 -5.351 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.554 -3.853 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.581 -5.402 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.534 -4.506 -0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.229 -2.932 -0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.686 -3.890 0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.806 -4.270 1.405 1.00 0.00 H new ATOM 0 HE ARG A 70 7.515 -1.672 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.388 -3.229 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.659 -1.770 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.573 0.215 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.900 0.186 2.255 1.00 0.00 H new ATOM 1133 N ASN A 71 10.127 -3.596 -1.933 1.00 0.00 N ATOM 1134 CA ASN A 71 11.095 -2.516 -2.036 1.00 0.00 C ATOM 1135 C ASN A 71 10.380 -1.237 -2.476 1.00 0.00 C ATOM 1136 O ASN A 71 10.667 -0.697 -3.543 1.00 0.00 O ATOM 1137 CB ASN A 71 12.171 -2.838 -3.074 1.00 0.00 C ATOM 1138 CG ASN A 71 13.373 -3.526 -2.424 1.00 0.00 C ATOM 1139 OD1 ASN A 71 13.371 -3.857 -1.249 1.00 0.00 O ATOM 1140 ND2 ASN A 71 14.396 -3.721 -3.250 1.00 0.00 N ATOM 0 H ASN A 71 10.159 -4.116 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 71 11.563 -2.388 -1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.753 -3.482 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.495 -1.920 -3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.246 -4.172 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.331 -3.419 -4.222 1.00 0.00 H new ATOM 1147 N ASN A 72 9.463 -0.789 -1.631 1.00 0.00 N ATOM 1148 CA ASN A 72 8.705 0.417 -1.919 1.00 0.00 C ATOM 1149 C ASN A 72 8.336 0.440 -3.404 1.00 0.00 C ATOM 1150 O ASN A 72 8.813 1.293 -4.152 1.00 0.00 O ATOM 1151 CB ASN A 72 9.528 1.671 -1.617 1.00 0.00 C ATOM 1152 CG ASN A 72 10.212 1.562 -0.252 1.00 0.00 C ATOM 1153 OD1 ASN A 72 9.577 1.536 0.789 1.00 0.00 O ATOM 1154 ND2 ASN A 72 11.539 1.498 -0.316 1.00 0.00 N ATOM 0 H ASN A 72 9.228 -1.240 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 72 7.813 0.412 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.279 1.813 -2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.881 2.548 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.088 1.422 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.008 1.525 -1.221 1.00 0.00 H new ATOM 1161 N MET A 73 7.493 -0.507 -3.787 1.00 0.00 N ATOM 1162 CA MET A 73 7.056 -0.606 -5.168 1.00 0.00 C ATOM 1163 C MET A 73 6.881 0.781 -5.790 1.00 0.00 C ATOM 1164 O MET A 73 7.403 1.052 -6.870 1.00 0.00 O ATOM 1165 CB MET A 73 5.728 -1.364 -5.231 1.00 0.00 C ATOM 1166 CG MET A 73 5.789 -2.492 -6.264 1.00 0.00 C ATOM 1167 SD MET A 73 5.456 -1.844 -7.894 1.00 0.00 S ATOM 1168 CE MET A 73 7.123 -1.522 -8.446 1.00 0.00 C ATOM 0 H MET A 73 7.101 -1.213 -3.164 1.00 0.00 H new ATOM 0 HA MET A 73 7.819 -1.143 -5.732 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.494 -1.777 -4.250 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.923 -0.675 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 73 6.772 -2.962 -6.244 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.061 -3.264 -6.015 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.259 -0.450 -8.585 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.830 -1.884 -7.699 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.299 -2.036 -9.391 1.00 0.00 H new ATOM 1178 N ILE A 74 6.146 1.625 -5.079 1.00 0.00 N ATOM 1179 CA ILE A 74 5.897 2.978 -5.547 1.00 0.00 C ATOM 1180 C ILE A 74 5.502 3.857 -4.359 1.00 0.00 C ATOM 1181 O ILE A 74 4.718 3.442 -3.508 1.00 0.00 O ATOM 1182 CB ILE A 74 4.866 2.972 -6.677 1.00 0.00 C ATOM 1183 CG1 ILE A 74 3.629 2.161 -6.288 1.00 0.00 C ATOM 1184 CG2 ILE A 74 5.488 2.475 -7.984 1.00 0.00 C ATOM 1185 CD1 ILE A 74 2.353 2.987 -6.467 1.00 0.00 C ATOM 0 H ILE A 74 5.715 1.398 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 74 6.803 3.407 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 74 4.539 3.998 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.573 1.261 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.714 1.836 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.734 2.481 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.312 3.130 -8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.861 1.460 -7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.488 2.387 -6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.402 3.874 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.259 3.289 -7.510 1.00 0.00 H new ATOM 1197 N GLN A 75 6.064 5.058 -4.341 1.00 0.00 N ATOM 1198 CA GLN A 75 5.780 6.000 -3.273 1.00 0.00 C ATOM 1199 C GLN A 75 4.920 7.153 -3.795 1.00 0.00 C ATOM 1200 O GLN A 75 5.343 8.308 -3.773 1.00 0.00 O ATOM 1201 CB GLN A 75 7.074 6.523 -2.645 1.00 0.00 C ATOM 1202 CG GLN A 75 7.925 7.263 -3.680 1.00 0.00 C ATOM 1203 CD GLN A 75 8.615 8.478 -3.055 1.00 0.00 C ATOM 1204 OE1 GLN A 75 8.080 9.149 -2.187 1.00 0.00 O ATOM 1205 NE2 GLN A 75 9.828 8.721 -3.542 1.00 0.00 N ATOM 0 H GLN A 75 6.714 5.399 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 75 5.221 5.479 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.837 7.192 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.643 5.691 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.674 6.586 -4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.296 7.585 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.216 8.119 -4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.371 9.509 -3.189 1.00 0.00 H new ATOM 1214 N THR A 76 3.729 6.799 -4.255 1.00 0.00 N ATOM 1215 CA THR A 76 2.806 7.788 -4.782 1.00 0.00 C ATOM 1216 C THR A 76 2.104 8.526 -3.640 1.00 0.00 C ATOM 1217 O THR A 76 1.686 7.908 -2.662 1.00 0.00 O ATOM 1218 CB THR A 76 1.840 7.076 -5.731 1.00 0.00 C ATOM 1219 OG1 THR A 76 1.345 5.981 -4.964 1.00 0.00 O ATOM 1220 CG2 THR A 76 2.557 6.413 -6.908 1.00 0.00 C ATOM 0 H THR A 76 3.382 5.840 -4.273 1.00 0.00 H new ATOM 0 HA THR A 76 3.332 8.557 -5.348 1.00 0.00 H new ATOM 0 HB THR A 76 1.109 7.791 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.709 5.465 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.825 5.922 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.093 7.170 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.265 5.673 -6.533 1.00 0.00 H new ATOM 1228 N LYS A 77 1.995 9.836 -3.802 1.00 0.00 N ATOM 1229 CA LYS A 77 1.351 10.664 -2.797 1.00 0.00 C ATOM 1230 C LYS A 77 0.595 11.801 -3.487 1.00 0.00 C ATOM 1231 O LYS A 77 1.022 12.292 -4.530 1.00 0.00 O ATOM 1232 CB LYS A 77 2.371 11.142 -1.763 1.00 0.00 C ATOM 1233 CG LYS A 77 1.856 10.919 -0.339 1.00 0.00 C ATOM 1234 CD LYS A 77 2.995 10.518 0.600 1.00 0.00 C ATOM 1235 CE LYS A 77 2.610 10.754 2.062 1.00 0.00 C ATOM 1236 NZ LYS A 77 3.781 11.217 2.839 1.00 0.00 N ATOM 0 H LYS A 77 2.342 10.345 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 77 0.615 10.084 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.311 10.608 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.580 12.201 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.382 11.830 0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.092 10.141 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.241 9.467 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.889 11.092 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.813 11.495 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.220 9.833 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.502 11.372 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.530 10.497 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.135 12.108 2.436 1.00 0.00 H new ATOM 1250 N PRO A 78 -0.546 12.196 -2.859 1.00 0.00 N ATOM 1251 CA PRO A 78 -1.366 13.265 -3.403 1.00 0.00 C ATOM 1252 C PRO A 78 -0.718 14.630 -3.159 1.00 0.00 C ATOM 1253 O PRO A 78 0.155 14.762 -2.302 1.00 0.00 O ATOM 1254 CB PRO A 78 -2.714 13.117 -2.714 1.00 0.00 C ATOM 1255 CG PRO A 78 -2.459 12.266 -1.480 1.00 0.00 C ATOM 1256 CD PRO A 78 -1.083 11.636 -1.623 1.00 0.00 C ATOM 0 HA PRO A 78 -1.477 13.201 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.122 14.090 -2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.440 12.641 -3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.507 12.877 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.223 11.495 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.447 11.876 -0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.149 10.549 -1.676 1.00 0.00 H new ATOM 1264 N THR A 79 -1.171 15.610 -3.927 1.00 0.00 N ATOM 1265 CA THR A 79 -0.647 16.960 -3.804 1.00 0.00 C ATOM 1266 C THR A 79 -1.789 17.977 -3.790 1.00 0.00 C ATOM 1267 O THR A 79 -2.947 17.612 -3.596 1.00 0.00 O ATOM 1268 CB THR A 79 0.353 17.183 -4.941 1.00 0.00 C ATOM 1269 OG1 THR A 79 0.830 18.509 -4.730 1.00 0.00 O ATOM 1270 CG2 THR A 79 -0.326 17.246 -6.312 1.00 0.00 C ATOM 0 H THR A 79 -1.895 15.496 -4.637 1.00 0.00 H new ATOM 0 HA THR A 79 -0.122 17.097 -2.858 1.00 0.00 H new ATOM 0 HB THR A 79 1.092 16.382 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.611 19.063 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.427 17.406 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.848 16.309 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.041 18.069 -6.327 1.00 0.00 H new ATOM 1278 N GLY A 80 -1.423 19.233 -4.001 1.00 0.00 N ATOM 1279 CA GLY A 80 -2.403 20.306 -4.014 1.00 0.00 C ATOM 1280 C GLY A 80 -1.727 21.668 -3.854 1.00 0.00 C ATOM 1281 O GLY A 80 -1.370 22.063 -2.745 1.00 0.00 O ATOM 0 H GLY A 80 -0.461 19.532 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.962 20.281 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.122 20.156 -3.209 1.00 0.00 H new ATOM 1285 N THR A 81 -1.569 22.350 -4.980 1.00 0.00 N ATOM 1286 CA THR A 81 -0.942 23.661 -4.979 1.00 0.00 C ATOM 1287 C THR A 81 -1.944 24.732 -4.542 1.00 0.00 C ATOM 1288 O THR A 81 -3.143 24.467 -4.456 1.00 0.00 O ATOM 1289 CB THR A 81 -0.358 23.907 -6.370 1.00 0.00 C ATOM 1290 OG1 THR A 81 -1.090 23.024 -7.215 1.00 0.00 O ATOM 1291 CG2 THR A 81 1.089 23.423 -6.491 1.00 0.00 C ATOM 0 H THR A 81 -1.864 22.019 -5.899 1.00 0.00 H new ATOM 0 HA THR A 81 -0.128 23.709 -4.256 1.00 0.00 H new ATOM 0 HB THR A 81 -0.406 24.971 -6.601 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.776 23.120 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.456 23.621 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.711 23.951 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.132 22.352 -6.293 1.00 0.00 H new ATOM 1299 N GLN A 82 -1.417 25.919 -4.280 1.00 0.00 N ATOM 1300 CA GLN A 82 -2.250 27.030 -3.855 1.00 0.00 C ATOM 1301 C GLN A 82 -1.896 28.292 -4.645 1.00 0.00 C ATOM 1302 O GLN A 82 -0.740 28.490 -5.019 1.00 0.00 O ATOM 1303 CB GLN A 82 -2.119 27.272 -2.350 1.00 0.00 C ATOM 1304 CG GLN A 82 -3.463 27.081 -1.644 1.00 0.00 C ATOM 1305 CD GLN A 82 -3.714 25.603 -1.334 1.00 0.00 C ATOM 1306 OE1 GLN A 82 -2.899 24.921 -0.732 1.00 0.00 O ATOM 1307 NE2 GLN A 82 -4.883 25.148 -1.775 1.00 0.00 N ATOM 0 H GLN A 82 -0.423 26.135 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.290 26.776 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.383 26.586 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.751 28.282 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.477 27.658 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.266 27.466 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.519 25.772 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.144 24.175 -1.617 1.00 0.00 H new ATOM 1316 N GLN A 83 -2.911 29.111 -4.878 1.00 0.00 N ATOM 1317 CA GLN A 83 -2.720 30.348 -5.617 1.00 0.00 C ATOM 1318 C GLN A 83 -3.299 31.528 -4.835 1.00 0.00 C ATOM 1319 O GLN A 83 -4.115 31.340 -3.933 1.00 0.00 O ATOM 1320 CB GLN A 83 -3.346 30.254 -7.011 1.00 0.00 C ATOM 1321 CG GLN A 83 -2.501 31.007 -8.041 1.00 0.00 C ATOM 1322 CD GLN A 83 -1.799 30.034 -8.990 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -1.734 28.838 -8.759 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -1.277 30.612 -10.069 1.00 0.00 N ATOM 0 H GLN A 83 -3.868 28.943 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.650 30.512 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.436 29.208 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.354 30.667 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.136 31.684 -8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.759 31.621 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.367 31.619 -10.202 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.787 30.048 -10.763 1.00 0.00 H new ATOM 1333 N SER A 84 -2.855 32.719 -5.208 1.00 0.00 N ATOM 1334 CA SER A 84 -3.318 33.930 -4.551 1.00 0.00 C ATOM 1335 C SER A 84 -3.132 35.132 -5.480 1.00 0.00 C ATOM 1336 O SER A 84 -2.343 35.077 -6.423 1.00 0.00 O ATOM 1337 CB SER A 84 -2.580 34.159 -3.232 1.00 0.00 C ATOM 1338 OG SER A 84 -3.434 33.990 -2.105 1.00 0.00 O ATOM 0 H SER A 84 -2.179 32.872 -5.957 1.00 0.00 H new ATOM 0 HA SER A 84 -4.378 33.813 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.743 33.464 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.161 35.165 -3.221 1.00 0.00 H new ATOM 0 HG SER A 84 -2.924 34.143 -1.282 1.00 0.00 H new ATOM 1344 N THR A 85 -3.871 36.191 -5.182 1.00 0.00 N ATOM 1345 CA THR A 85 -3.798 37.403 -5.977 1.00 0.00 C ATOM 1346 C THR A 85 -3.726 38.633 -5.070 1.00 0.00 C ATOM 1347 O THR A 85 -4.130 38.577 -3.910 1.00 0.00 O ATOM 1348 CB THR A 85 -4.996 37.419 -6.928 1.00 0.00 C ATOM 1349 OG1 THR A 85 -5.086 36.075 -7.395 1.00 0.00 O ATOM 1350 CG2 THR A 85 -4.730 38.237 -8.193 1.00 0.00 C ATOM 0 H THR A 85 -4.524 36.234 -4.399 1.00 0.00 H new ATOM 0 HA THR A 85 -2.888 37.427 -6.577 1.00 0.00 H new ATOM 0 HB THR A 85 -5.865 37.826 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.839 35.995 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.612 38.215 -8.833 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.506 39.268 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.882 37.812 -8.730 1.00 0.00 H new ATOM 1358 N ASN A 86 -3.209 39.715 -5.634 1.00 0.00 N ATOM 1359 CA ASN A 86 -3.078 40.956 -4.889 1.00 0.00 C ATOM 1360 C ASN A 86 -3.883 42.052 -5.591 1.00 0.00 C ATOM 1361 O ASN A 86 -4.319 41.876 -6.727 1.00 0.00 O ATOM 1362 CB ASN A 86 -1.619 41.409 -4.825 1.00 0.00 C ATOM 1363 CG ASN A 86 -0.916 40.825 -3.598 1.00 0.00 C ATOM 1364 OD1 ASN A 86 -0.742 41.476 -2.581 1.00 0.00 O ATOM 1365 ND2 ASN A 86 -0.524 39.563 -3.749 1.00 0.00 N ATOM 0 H ASN A 86 -2.876 39.758 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.446 40.783 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.098 41.097 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.574 42.498 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.046 39.083 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.701 39.076 -4.627 1.00 0.00 H new ATOM 1372 N THR A 87 -4.055 43.160 -4.883 1.00 0.00 N ATOM 1373 CA THR A 87 -4.800 44.284 -5.424 1.00 0.00 C ATOM 1374 C THR A 87 -3.920 45.534 -5.469 1.00 0.00 C ATOM 1375 O THR A 87 -2.748 45.487 -5.096 1.00 0.00 O ATOM 1376 CB THR A 87 -6.065 44.462 -4.581 1.00 0.00 C ATOM 1377 OG1 THR A 87 -5.578 44.618 -3.251 1.00 0.00 O ATOM 1378 CG2 THR A 87 -6.912 43.190 -4.521 1.00 0.00 C ATOM 0 H THR A 87 -3.691 43.303 -3.941 1.00 0.00 H new ATOM 0 HA THR A 87 -5.102 44.099 -6.455 1.00 0.00 H new ATOM 0 HB THR A 87 -6.662 45.277 -4.991 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.333 44.741 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.797 43.371 -3.911 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.217 42.908 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.326 42.383 -4.081 1.00 0.00 H new ATOM 1386 N ALA A 88 -4.517 46.624 -5.929 1.00 0.00 N ATOM 1387 CA ALA A 88 -3.803 47.885 -6.027 1.00 0.00 C ATOM 1388 C ALA A 88 -4.739 48.955 -6.593 1.00 0.00 C ATOM 1389 O ALA A 88 -4.810 49.143 -7.807 1.00 0.00 O ATOM 1390 CB ALA A 88 -2.549 47.695 -6.885 1.00 0.00 C ATOM 0 H ALA A 88 -5.488 46.659 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.478 48.220 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.012 48.641 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.904 46.947 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.837 47.362 -7.882 1.00 0.00 H new ATOM 1396 N VAL A 89 -5.434 49.626 -5.687 1.00 0.00 N ATOM 1397 CA VAL A 89 -6.362 50.671 -6.081 1.00 0.00 C ATOM 1398 C VAL A 89 -5.995 51.972 -5.362 1.00 0.00 C ATOM 1399 O VAL A 89 -6.047 52.042 -4.135 1.00 0.00 O ATOM 1400 CB VAL A 89 -7.801 50.224 -5.810 1.00 0.00 C ATOM 1401 CG1 VAL A 89 -8.075 50.141 -4.306 1.00 0.00 C ATOM 1402 CG2 VAL A 89 -8.803 51.151 -6.499 1.00 0.00 C ATOM 0 H VAL A 89 -5.373 49.466 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.291 50.860 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.926 49.226 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.104 49.821 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.394 49.422 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.922 51.121 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.817 50.810 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.677 52.167 -6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.630 51.138 -7.575 1.00 0.00 H new ATOM 1412 N THR A 90 -5.633 52.968 -6.156 1.00 0.00 N ATOM 1413 CA THR A 90 -5.257 54.261 -5.611 1.00 0.00 C ATOM 1414 C THR A 90 -6.307 55.315 -5.965 1.00 0.00 C ATOM 1415 O THR A 90 -6.945 55.232 -7.014 1.00 0.00 O ATOM 1416 CB THR A 90 -3.857 54.602 -6.124 1.00 0.00 C ATOM 1417 OG1 THR A 90 -3.064 53.480 -5.743 1.00 0.00 O ATOM 1418 CG2 THR A 90 -3.227 55.776 -5.372 1.00 0.00 C ATOM 0 H THR A 90 -5.592 52.906 -7.173 1.00 0.00 H new ATOM 0 HA THR A 90 -5.222 54.235 -4.522 1.00 0.00 H new ATOM 0 HB THR A 90 -3.908 54.838 -7.187 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.140 53.617 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.234 55.976 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.852 56.661 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.145 55.528 -4.314 1.00 0.00 H new ATOM 1426 N LEU A 91 -6.456 56.281 -5.071 1.00 0.00 N ATOM 1427 CA LEU A 91 -7.417 57.350 -5.276 1.00 0.00 C ATOM 1428 C LEU A 91 -6.677 58.628 -5.678 1.00 0.00 C ATOM 1429 O LEU A 91 -5.815 59.107 -4.943 1.00 0.00 O ATOM 1430 CB LEU A 91 -8.305 57.517 -4.042 1.00 0.00 C ATOM 1431 CG LEU A 91 -8.751 58.946 -3.723 1.00 0.00 C ATOM 1432 CD1 LEU A 91 -9.811 59.424 -4.717 1.00 0.00 C ATOM 1433 CD2 LEU A 91 -9.229 59.061 -2.274 1.00 0.00 C ATOM 0 H LEU A 91 -5.926 56.345 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.092 57.101 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.195 56.901 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.770 57.124 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.889 59.605 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.111 60.442 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.399 59.404 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.680 58.767 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.540 60.086 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.072 58.388 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.416 58.790 -1.600 1.00 0.00 H new ATOM 1445 N THR A 92 -7.040 59.143 -6.844 1.00 0.00 N ATOM 1446 CA THR A 92 -6.420 60.354 -7.352 1.00 0.00 C ATOM 1447 C THR A 92 -6.189 61.353 -6.215 1.00 0.00 C ATOM 1448 O THR A 92 -6.919 61.351 -5.226 1.00 0.00 O ATOM 1449 CB THR A 92 -7.305 60.904 -8.472 1.00 0.00 C ATOM 1450 OG1 THR A 92 -6.850 62.243 -8.649 1.00 0.00 O ATOM 1451 CG2 THR A 92 -8.765 61.060 -8.041 1.00 0.00 C ATOM 0 H THR A 92 -7.756 58.743 -7.451 1.00 0.00 H new ATOM 0 HA THR A 92 -5.434 60.148 -7.768 1.00 0.00 H new ATOM 0 HB THR A 92 -7.250 60.242 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.370 62.674 -9.359 1.00 0.00 H new ATOM 0 HG21 THR A 92 -9.350 61.454 -8.872 1.00 0.00 H new ATOM 0 HG22 THR A 92 -9.163 60.089 -7.745 1.00 0.00 H new ATOM 0 HG23 THR A 92 -8.824 61.748 -7.198 1.00 0.00 H new ATOM 1459 N GLY A 93 -5.171 62.181 -6.396 1.00 0.00 N ATOM 1460 CA GLY A 93 -4.835 63.181 -5.398 1.00 0.00 C ATOM 1461 C GLY A 93 -4.378 64.483 -6.059 1.00 0.00 C ATOM 1462 O GLY A 93 -4.903 64.871 -7.102 1.00 0.00 O ATOM 0 H GLY A 93 -4.568 62.180 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.702 63.375 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.045 62.802 -4.749 1.00 0.00 H new TER 1466 GLY A 93