USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 Single : A 1 MET CE :methyl 156:sc= -2.06 (180deg=-3.87!) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.32 (180deg=-0.388) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 12 SER OG : rot 69:sc= 0.694 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -9:sc= 0.949 USER MOD Single : A 19 MET CE :methyl -174:sc= -6.79! (180deg=-7.03!) USER MOD Single : A 20 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.37) USER MOD Single : A 22 ASN : amide:sc= -0.0946 K(o=-0.095,f=-2.5) USER MOD Single : A 31 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -1.5 X(o=-1.5,f=-1.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.762 -4.751 -1.417 1.00 0.00 N ATOM 2 CA MET A 1 11.276 -4.845 -2.819 1.00 0.00 C ATOM 3 C MET A 1 11.716 -6.153 -3.469 1.00 0.00 C ATOM 4 O MET A 1 10.991 -6.730 -4.280 1.00 0.00 O ATOM 5 CB MET A 1 11.827 -3.654 -3.606 1.00 0.00 C ATOM 6 CG MET A 1 10.924 -2.432 -3.570 1.00 0.00 C ATOM 7 SD MET A 1 11.004 -1.557 -1.996 1.00 0.00 S ATOM 8 CE MET A 1 9.409 -1.975 -1.296 1.00 0.00 C ATOM 0 H1 MET A 1 11.286 -3.961 -0.937 1.00 0.00 H new ATOM 0 H2 MET A 1 11.551 -5.638 -0.916 1.00 0.00 H new ATOM 0 H3 MET A 1 12.789 -4.589 -1.416 1.00 0.00 H new ATOM 0 HA MET A 1 10.186 -4.827 -2.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.804 -3.385 -3.206 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.979 -3.953 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.206 -1.752 -4.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.895 -2.739 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.455 -1.892 -0.210 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.652 -1.291 -1.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.147 -2.997 -1.571 1.00 0.00 H new ATOM 20 N ARG A 2 12.909 -6.615 -3.107 1.00 0.00 N ATOM 21 CA ARG A 2 13.447 -7.854 -3.657 1.00 0.00 C ATOM 22 C ARG A 2 12.781 -9.069 -3.019 1.00 0.00 C ATOM 23 O ARG A 2 12.301 -9.962 -3.716 1.00 0.00 O ATOM 24 CB ARG A 2 14.961 -7.915 -3.444 1.00 0.00 C ATOM 25 CG ARG A 2 15.733 -6.894 -4.264 1.00 0.00 C ATOM 26 CD ARG A 2 17.181 -7.314 -4.457 1.00 0.00 C ATOM 27 NE ARG A 2 17.349 -8.186 -5.619 1.00 0.00 N ATOM 28 CZ ARG A 2 18.504 -8.760 -5.962 1.00 0.00 C ATOM 29 NH1 ARG A 2 19.600 -8.561 -5.238 1.00 0.00 N ATOM 30 NH2 ARG A 2 18.560 -9.537 -7.035 1.00 0.00 N ATOM 0 H ARG A 2 13.521 -6.150 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 2 13.236 -7.869 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.177 -7.758 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.315 -8.914 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.256 -6.771 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 2 15.697 -5.925 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.803 -6.427 -4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 2 17.531 -7.830 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 2 16.533 -8.367 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 2 19.564 -7.965 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 2 20.478 -9.004 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.722 -9.694 -7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.441 -9.977 -7.300 1.00 0.00 H new ATOM 44 N LYS A 3 12.755 -9.096 -1.690 1.00 0.00 N ATOM 45 CA LYS A 3 12.145 -10.203 -0.961 1.00 0.00 C ATOM 46 C LYS A 3 12.044 -9.888 0.528 1.00 0.00 C ATOM 47 O LYS A 3 12.994 -10.095 1.282 1.00 0.00 O ATOM 48 CB LYS A 3 12.949 -11.488 -1.171 1.00 0.00 C ATOM 49 CG LYS A 3 14.445 -11.312 -0.959 1.00 0.00 C ATOM 50 CD LYS A 3 15.247 -12.192 -1.904 1.00 0.00 C ATOM 51 CE LYS A 3 16.732 -12.154 -1.578 1.00 0.00 C ATOM 52 NZ LYS A 3 17.437 -13.372 -2.062 1.00 0.00 N ATOM 0 H LYS A 3 13.148 -8.365 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 3 11.137 -10.347 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.581 -12.253 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.775 -11.855 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.716 -10.268 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.699 -11.557 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.886 -13.219 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.091 -11.862 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.181 -11.270 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.865 -12.062 -0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.447 -13.308 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.026 -14.214 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.332 -13.447 -3.094 1.00 0.00 H new ATOM 66 N LEU A 4 10.885 -9.386 0.941 1.00 0.00 N ATOM 67 CA LEU A 4 10.652 -9.040 2.340 1.00 0.00 C ATOM 68 C LEU A 4 9.498 -9.856 2.912 1.00 0.00 C ATOM 69 O LEU A 4 8.547 -10.185 2.203 1.00 0.00 O ATOM 70 CB LEU A 4 10.343 -7.544 2.476 1.00 0.00 C ATOM 71 CG LEU A 4 11.108 -6.623 1.521 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.784 -5.167 1.813 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.606 -6.870 1.628 1.00 0.00 C ATOM 0 H LEU A 4 10.091 -9.209 0.326 1.00 0.00 H new ATOM 0 HA LEU A 4 11.558 -9.271 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.275 -7.396 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.559 -7.238 3.499 1.00 0.00 H new ATOM 0 HG LEU A 4 10.795 -6.847 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.336 -4.526 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.715 -5.000 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.069 -4.929 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.134 -6.207 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.935 -6.674 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.823 -7.906 1.370 1.00 0.00 H new ATOM 85 N SER A 5 9.583 -10.173 4.201 1.00 0.00 N ATOM 86 CA SER A 5 8.537 -10.944 4.868 1.00 0.00 C ATOM 87 C SER A 5 7.207 -10.209 4.793 1.00 0.00 C ATOM 88 O SER A 5 7.172 -8.998 4.574 1.00 0.00 O ATOM 89 CB SER A 5 8.913 -11.194 6.330 1.00 0.00 C ATOM 90 OG SER A 5 10.320 -11.218 6.499 1.00 0.00 O ATOM 0 H SER A 5 10.363 -9.909 4.803 1.00 0.00 H new ATOM 0 HA SER A 5 8.438 -11.903 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.482 -10.414 6.958 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.488 -12.142 6.661 1.00 0.00 H new ATOM 0 HG SER A 5 10.534 -11.378 7.442 1.00 0.00 H new ATOM 96 N ASP A 6 6.111 -10.939 4.984 1.00 0.00 N ATOM 97 CA ASP A 6 4.780 -10.320 4.941 1.00 0.00 C ATOM 98 C ASP A 6 4.694 -9.194 5.965 1.00 0.00 C ATOM 99 O ASP A 6 3.941 -8.239 5.793 1.00 0.00 O ATOM 100 CB ASP A 6 3.643 -11.331 5.196 1.00 0.00 C ATOM 101 CG ASP A 6 3.973 -12.752 4.773 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.520 -12.932 3.665 1.00 0.00 O ATOM 103 OD2 ASP A 6 3.682 -13.685 5.552 1.00 0.00 O ATOM 0 H ASP A 6 6.111 -11.942 5.167 1.00 0.00 H new ATOM 0 HA ASP A 6 4.649 -9.926 3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.398 -11.327 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.752 -11.002 4.662 1.00 0.00 H new ATOM 108 N GLU A 7 5.484 -9.305 7.028 1.00 0.00 N ATOM 109 CA GLU A 7 5.498 -8.286 8.066 1.00 0.00 C ATOM 110 C GLU A 7 6.269 -7.063 7.593 1.00 0.00 C ATOM 111 O GLU A 7 5.923 -5.935 7.931 1.00 0.00 O ATOM 112 CB GLU A 7 6.112 -8.845 9.354 1.00 0.00 C ATOM 113 CG GLU A 7 5.108 -9.016 10.481 1.00 0.00 C ATOM 114 CD GLU A 7 5.397 -10.230 11.341 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.752 -11.286 10.777 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.268 -10.125 12.579 1.00 0.00 O ATOM 0 H GLU A 7 6.119 -10.087 7.191 1.00 0.00 H new ATOM 0 HA GLU A 7 4.471 -7.987 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.572 -9.809 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.909 -8.179 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.114 -8.123 11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.106 -9.104 10.060 1.00 0.00 H new ATOM 123 N LEU A 8 7.308 -7.300 6.804 1.00 0.00 N ATOM 124 CA LEU A 8 8.131 -6.223 6.270 1.00 0.00 C ATOM 125 C LEU A 8 7.461 -5.568 5.069 1.00 0.00 C ATOM 126 O LEU A 8 7.530 -4.351 4.892 1.00 0.00 O ATOM 127 CB LEU A 8 9.503 -6.757 5.871 1.00 0.00 C ATOM 128 CG LEU A 8 10.527 -6.805 7.005 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.968 -5.400 7.382 1.00 0.00 C ATOM 130 CD2 LEU A 8 9.958 -7.532 8.215 1.00 0.00 C ATOM 0 H LEU A 8 7.602 -8.234 6.518 1.00 0.00 H new ATOM 0 HA LEU A 8 8.251 -5.471 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.383 -7.762 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.900 -6.136 5.068 1.00 0.00 H new ATOM 0 HG LEU A 8 11.399 -7.358 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.697 -5.452 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.420 -4.916 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.103 -4.823 7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.704 -7.554 9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.068 -7.011 8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.695 -8.552 7.936 1.00 0.00 H new ATOM 142 N LEU A 9 6.813 -6.385 4.247 1.00 0.00 N ATOM 143 CA LEU A 9 6.129 -5.893 3.059 1.00 0.00 C ATOM 144 C LEU A 9 4.830 -5.192 3.429 1.00 0.00 C ATOM 145 O LEU A 9 4.521 -4.116 2.913 1.00 0.00 O ATOM 146 CB LEU A 9 5.847 -7.048 2.096 1.00 0.00 C ATOM 147 CG LEU A 9 5.074 -6.669 0.831 1.00 0.00 C ATOM 148 CD1 LEU A 9 5.937 -5.820 -0.088 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.591 -7.920 0.110 1.00 0.00 C ATOM 0 H LEU A 9 6.747 -7.394 4.383 1.00 0.00 H new ATOM 0 HA LEU A 9 6.779 -5.170 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.797 -7.494 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.286 -7.815 2.629 1.00 0.00 H new ATOM 0 HG LEU A 9 4.203 -6.081 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.370 -5.560 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.234 -4.909 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.827 -6.381 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.043 -7.634 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.448 -8.533 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.936 -8.490 0.769 1.00 0.00 H new ATOM 161 N ILE A 10 4.071 -5.803 4.327 1.00 0.00 N ATOM 162 CA ILE A 10 2.810 -5.224 4.755 1.00 0.00 C ATOM 163 C ILE A 10 3.050 -3.973 5.590 1.00 0.00 C ATOM 164 O ILE A 10 2.280 -3.015 5.524 1.00 0.00 O ATOM 165 CB ILE A 10 1.954 -6.248 5.526 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.629 -7.423 4.608 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.667 -5.617 6.046 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.206 -8.661 5.350 1.00 0.00 C ATOM 0 H ILE A 10 4.305 -6.692 4.769 1.00 0.00 H new ATOM 0 HA ILE A 10 2.253 -4.938 3.863 1.00 0.00 H new ATOM 0 HB ILE A 10 2.522 -6.597 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.834 -7.130 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.505 -7.653 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.087 -6.366 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.911 -4.794 6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.082 -5.239 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.990 -9.457 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.009 -8.978 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.312 -8.447 5.936 1.00 0.00 H new ATOM 180 N GLU A 11 4.134 -3.975 6.356 1.00 0.00 N ATOM 181 CA GLU A 11 4.479 -2.822 7.174 1.00 0.00 C ATOM 182 C GLU A 11 4.749 -1.614 6.287 1.00 0.00 C ATOM 183 O GLU A 11 4.534 -0.475 6.694 1.00 0.00 O ATOM 184 CB GLU A 11 5.707 -3.116 8.034 1.00 0.00 C ATOM 185 CG GLU A 11 5.371 -3.690 9.400 1.00 0.00 C ATOM 186 CD GLU A 11 5.383 -2.639 10.493 1.00 0.00 C ATOM 187 OE1 GLU A 11 5.230 -1.443 10.167 1.00 0.00 O ATOM 188 OE2 GLU A 11 5.545 -3.011 11.674 1.00 0.00 O ATOM 0 H GLU A 11 4.785 -4.757 6.427 1.00 0.00 H new ATOM 0 HA GLU A 11 3.637 -2.605 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.352 -3.817 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.276 -2.196 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.387 -4.158 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.087 -4.474 9.647 1.00 0.00 H new ATOM 195 N SER A 12 5.209 -1.871 5.064 1.00 0.00 N ATOM 196 CA SER A 12 5.491 -0.801 4.120 1.00 0.00 C ATOM 197 C SER A 12 4.186 -0.209 3.612 1.00 0.00 C ATOM 198 O SER A 12 4.016 1.010 3.570 1.00 0.00 O ATOM 199 CB SER A 12 6.326 -1.323 2.949 1.00 0.00 C ATOM 200 OG SER A 12 7.554 -1.866 3.401 1.00 0.00 O ATOM 0 H SER A 12 5.393 -2.809 4.708 1.00 0.00 H new ATOM 0 HA SER A 12 6.063 -0.025 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.764 -2.085 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.520 -0.512 2.246 1.00 0.00 H new ATOM 0 HG SER A 12 7.383 -2.692 3.900 1.00 0.00 H new ATOM 206 N TYR A 13 3.256 -1.085 3.245 1.00 0.00 N ATOM 207 CA TYR A 13 1.953 -0.652 2.762 1.00 0.00 C ATOM 208 C TYR A 13 1.194 0.055 3.876 1.00 0.00 C ATOM 209 O TYR A 13 0.513 1.055 3.646 1.00 0.00 O ATOM 210 CB TYR A 13 1.143 -1.849 2.266 1.00 0.00 C ATOM 211 CG TYR A 13 -0.181 -1.468 1.641 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.232 -0.861 0.392 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.378 -1.712 2.301 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.440 -0.510 -0.180 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.590 -1.365 1.734 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.615 -0.764 0.494 1.00 0.00 C ATOM 217 OH TYR A 13 -3.819 -0.416 -0.073 1.00 0.00 O ATOM 0 H TYR A 13 3.382 -2.097 3.273 1.00 0.00 H new ATOM 0 HA TYR A 13 2.103 0.039 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.735 -2.400 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.960 -2.524 3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.686 -0.661 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.362 -2.181 3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.463 -0.039 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.512 -1.564 2.260 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.549 -0.665 0.531 1.00 0.00 H new ATOM 227 N PHE A 14 1.326 -0.474 5.086 1.00 0.00 N ATOM 228 CA PHE A 14 0.664 0.097 6.251 1.00 0.00 C ATOM 229 C PHE A 14 1.330 1.409 6.656 1.00 0.00 C ATOM 230 O PHE A 14 0.657 2.393 6.967 1.00 0.00 O ATOM 231 CB PHE A 14 0.697 -0.908 7.408 1.00 0.00 C ATOM 232 CG PHE A 14 -0.214 -2.110 7.236 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.819 -2.397 6.015 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.457 -2.958 8.306 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.641 -3.498 5.872 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.278 -4.063 8.166 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.872 -4.333 6.947 1.00 0.00 C ATOM 0 H PHE A 14 1.888 -1.301 5.286 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.375 0.311 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.720 -1.261 7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.422 -0.391 8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.643 -1.750 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.001 -2.753 9.262 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.103 -3.706 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.455 -4.715 9.009 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.514 -5.194 6.836 1.00 0.00 H new ATOM 247 N LYS A 15 2.658 1.418 6.633 1.00 0.00 N ATOM 248 CA LYS A 15 3.418 2.611 6.981 1.00 0.00 C ATOM 249 C LYS A 15 3.183 3.707 5.951 1.00 0.00 C ATOM 250 O LYS A 15 2.961 4.865 6.302 1.00 0.00 O ATOM 251 CB LYS A 15 4.911 2.288 7.062 1.00 0.00 C ATOM 252 CG LYS A 15 5.329 1.649 8.379 1.00 0.00 C ATOM 253 CD LYS A 15 5.138 2.601 9.554 1.00 0.00 C ATOM 254 CE LYS A 15 4.049 2.118 10.501 1.00 0.00 C ATOM 255 NZ LYS A 15 4.616 1.539 11.750 1.00 0.00 N ATOM 0 H LYS A 15 3.230 0.613 6.377 1.00 0.00 H new ATOM 0 HA LYS A 15 3.079 2.962 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.173 1.617 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.481 3.206 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.745 0.744 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.375 1.348 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.077 2.699 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.882 3.592 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.391 2.950 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.437 1.369 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.842 1.222 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.224 0.729 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.179 2.261 12.243 1.00 0.00 H new ATOM 269 N ALA A 16 3.237 3.329 4.678 1.00 0.00 N ATOM 270 CA ALA A 16 3.036 4.273 3.587 1.00 0.00 C ATOM 271 C ALA A 16 1.664 4.926 3.663 1.00 0.00 C ATOM 272 O ALA A 16 1.513 6.104 3.346 1.00 0.00 O ATOM 273 CB ALA A 16 3.221 3.578 2.247 1.00 0.00 C ATOM 0 H ALA A 16 3.419 2.372 4.377 1.00 0.00 H new ATOM 0 HA ALA A 16 3.784 5.060 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.068 4.295 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.230 3.172 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.497 2.768 2.154 1.00 0.00 H new ATOM 279 N THR A 17 0.664 4.164 4.088 1.00 0.00 N ATOM 280 CA THR A 17 -0.685 4.696 4.207 1.00 0.00 C ATOM 281 C THR A 17 -0.759 5.697 5.354 1.00 0.00 C ATOM 282 O THR A 17 -1.520 6.663 5.303 1.00 0.00 O ATOM 283 CB THR A 17 -1.695 3.567 4.423 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.352 2.797 5.561 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.799 2.624 3.245 1.00 0.00 C ATOM 0 H THR A 17 0.761 3.184 4.354 1.00 0.00 H new ATOM 0 HA THR A 17 -0.935 5.207 3.278 1.00 0.00 H new ATOM 0 HB THR A 17 -2.657 4.062 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.465 3.063 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.532 1.848 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.112 3.179 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.828 2.165 3.060 1.00 0.00 H new ATOM 293 N GLU A 18 0.039 5.456 6.391 1.00 0.00 N ATOM 294 CA GLU A 18 0.067 6.333 7.555 1.00 0.00 C ATOM 295 C GLU A 18 0.857 7.611 7.278 1.00 0.00 C ATOM 296 O GLU A 18 0.422 8.709 7.627 1.00 0.00 O ATOM 297 CB GLU A 18 0.664 5.593 8.758 1.00 0.00 C ATOM 298 CG GLU A 18 -0.374 5.168 9.785 1.00 0.00 C ATOM 299 CD GLU A 18 0.096 4.012 10.645 1.00 0.00 C ATOM 300 OE1 GLU A 18 0.258 2.898 10.104 1.00 0.00 O ATOM 301 OE2 GLU A 18 0.300 4.220 11.860 1.00 0.00 O ATOM 0 H GLU A 18 0.674 4.660 6.448 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.960 6.620 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.196 4.710 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.400 6.236 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.616 6.017 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.293 4.884 9.272 1.00 0.00 H new ATOM 308 N MET A 19 2.020 7.460 6.659 1.00 0.00 N ATOM 309 CA MET A 19 2.876 8.597 6.347 1.00 0.00 C ATOM 310 C MET A 19 2.469 9.286 5.042 1.00 0.00 C ATOM 311 O MET A 19 2.896 10.409 4.769 1.00 0.00 O ATOM 312 CB MET A 19 4.333 8.138 6.262 1.00 0.00 C ATOM 313 CG MET A 19 4.649 7.286 5.042 1.00 0.00 C ATOM 314 SD MET A 19 6.408 6.920 4.888 1.00 0.00 S ATOM 315 CE MET A 19 6.375 5.131 4.850 1.00 0.00 C ATOM 0 H MET A 19 2.393 6.558 6.362 1.00 0.00 H new ATOM 0 HA MET A 19 2.762 9.326 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.979 9.016 6.255 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.576 7.571 7.160 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.091 6.351 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.309 7.803 4.145 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.395 4.748 4.865 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.835 4.758 5.720 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.875 4.796 3.942 1.00 0.00 H new ATOM 325 N ASN A 20 1.660 8.606 4.231 1.00 0.00 N ATOM 326 CA ASN A 20 1.213 9.143 2.944 1.00 0.00 C ATOM 327 C ASN A 20 2.341 9.064 1.922 1.00 0.00 C ATOM 328 O ASN A 20 2.514 9.960 1.096 1.00 0.00 O ATOM 329 CB ASN A 20 0.721 10.588 3.077 1.00 0.00 C ATOM 330 CG ASN A 20 -0.160 10.792 4.294 1.00 0.00 C ATOM 331 OD1 ASN A 20 -1.154 10.091 4.479 1.00 0.00 O ATOM 332 ND2 ASN A 20 0.202 11.758 5.131 1.00 0.00 N ATOM 0 H ASN A 20 1.298 7.676 4.443 1.00 0.00 H new ATOM 0 HA ASN A 20 0.375 8.536 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.580 11.257 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.166 10.863 2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.352 11.943 5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.034 12.315 4.938 1.00 0.00 H new ATOM 339 N LEU A 21 3.107 7.978 1.990 1.00 0.00 N ATOM 340 CA LEU A 21 4.226 7.757 1.079 1.00 0.00 C ATOM 341 C LEU A 21 3.743 7.770 -0.371 1.00 0.00 C ATOM 342 O LEU A 21 2.565 7.533 -0.638 1.00 0.00 O ATOM 343 CB LEU A 21 4.900 6.418 1.403 1.00 0.00 C ATOM 344 CG LEU A 21 6.382 6.312 1.029 1.00 0.00 C ATOM 345 CD1 LEU A 21 7.059 5.224 1.851 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.550 6.044 -0.464 1.00 0.00 C ATOM 0 H LEU A 21 2.971 7.232 2.672 1.00 0.00 H new ATOM 0 HA LEU A 21 4.951 8.561 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.800 6.231 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.357 5.625 0.889 1.00 0.00 H new ATOM 0 HG LEU A 21 6.861 7.265 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.111 5.161 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.977 5.464 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.575 4.267 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.611 5.973 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.056 5.108 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.103 6.860 -1.033 1.00 0.00 H new ATOM 358 N ASN A 22 4.657 8.055 -1.303 1.00 0.00 N ATOM 359 CA ASN A 22 4.335 8.111 -2.738 1.00 0.00 C ATOM 360 C ASN A 22 3.396 6.979 -3.167 1.00 0.00 C ATOM 361 O ASN A 22 3.555 5.832 -2.749 1.00 0.00 O ATOM 362 CB ASN A 22 5.620 8.054 -3.564 1.00 0.00 C ATOM 363 CG ASN A 22 5.393 8.434 -5.014 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.355 8.995 -5.366 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.366 8.128 -5.865 1.00 0.00 N ATOM 0 H ASN A 22 5.635 8.253 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 22 3.818 9.054 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.360 8.725 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.035 7.047 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.270 8.358 -6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.209 7.663 -5.529 1.00 0.00 H new ATOM 372 N ARG A 23 2.413 7.321 -3.996 1.00 0.00 N ATOM 373 CA ARG A 23 1.434 6.350 -4.479 1.00 0.00 C ATOM 374 C ARG A 23 2.107 5.169 -5.167 1.00 0.00 C ATOM 375 O ARG A 23 1.597 4.049 -5.131 1.00 0.00 O ATOM 376 CB ARG A 23 0.456 7.023 -5.443 1.00 0.00 C ATOM 377 CG ARG A 23 -0.746 6.156 -5.792 1.00 0.00 C ATOM 378 CD ARG A 23 -2.034 6.696 -5.186 1.00 0.00 C ATOM 379 NE ARG A 23 -2.925 7.255 -6.202 1.00 0.00 N ATOM 380 CZ ARG A 23 -4.163 7.685 -5.956 1.00 0.00 C ATOM 381 NH1 ARG A 23 -4.669 7.626 -4.729 1.00 0.00 N ATOM 382 NH2 ARG A 23 -4.898 8.178 -6.943 1.00 0.00 N ATOM 0 H ARG A 23 2.273 8.268 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 23 0.890 5.971 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.105 7.955 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.984 7.284 -6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.851 6.101 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.576 5.140 -5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.548 5.895 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.795 7.465 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.578 7.320 -7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.109 7.249 -3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.617 7.958 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.516 8.228 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.845 8.508 -6.758 1.00 0.00 H new ATOM 396 N ASP A 24 3.246 5.418 -5.797 1.00 0.00 N ATOM 397 CA ASP A 24 3.968 4.363 -6.491 1.00 0.00 C ATOM 398 C ASP A 24 4.463 3.308 -5.509 1.00 0.00 C ATOM 399 O ASP A 24 4.522 2.121 -5.835 1.00 0.00 O ATOM 400 CB ASP A 24 5.142 4.943 -7.282 1.00 0.00 C ATOM 401 CG ASP A 24 4.725 5.459 -8.645 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.229 6.603 -8.721 1.00 0.00 O ATOM 403 OD2 ASP A 24 4.893 4.719 -9.637 1.00 0.00 O ATOM 0 H ASP A 24 3.688 6.336 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 24 3.280 3.887 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.594 5.755 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.907 4.176 -7.406 1.00 0.00 H new ATOM 408 N PHE A 25 4.800 3.742 -4.301 1.00 0.00 N ATOM 409 CA PHE A 25 5.268 2.833 -3.268 1.00 0.00 C ATOM 410 C PHE A 25 4.084 2.069 -2.699 1.00 0.00 C ATOM 411 O PHE A 25 4.127 0.849 -2.546 1.00 0.00 O ATOM 412 CB PHE A 25 5.983 3.604 -2.158 1.00 0.00 C ATOM 413 CG PHE A 25 6.990 2.780 -1.408 1.00 0.00 C ATOM 414 CD1 PHE A 25 7.958 2.060 -2.088 1.00 0.00 C ATOM 415 CD2 PHE A 25 6.970 2.728 -0.023 1.00 0.00 C ATOM 416 CE1 PHE A 25 8.889 1.303 -1.402 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.897 1.973 0.669 1.00 0.00 C ATOM 418 CZ PHE A 25 8.858 1.259 -0.022 1.00 0.00 C ATOM 0 H PHE A 25 4.757 4.720 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 25 5.978 2.130 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.484 4.469 -2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.242 3.985 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.986 2.090 -3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.221 3.284 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.639 0.747 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.871 1.941 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.584 0.668 0.517 1.00 0.00 H new ATOM 428 N ILE A 26 3.014 2.803 -2.411 1.00 0.00 N ATOM 429 CA ILE A 26 1.793 2.212 -1.882 1.00 0.00 C ATOM 430 C ILE A 26 1.242 1.178 -2.860 1.00 0.00 C ATOM 431 O ILE A 26 0.818 0.093 -2.461 1.00 0.00 O ATOM 432 CB ILE A 26 0.730 3.304 -1.611 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.237 4.279 -0.545 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.600 2.689 -1.182 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.253 5.380 -0.207 1.00 0.00 C ATOM 0 H ILE A 26 2.970 3.814 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 26 2.031 1.719 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 26 0.560 3.850 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.470 3.722 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.167 4.729 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.325 3.482 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.969 2.034 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.456 2.111 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.682 6.030 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.038 5.963 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.670 4.940 0.170 1.00 0.00 H new ATOM 447 N GLU A 27 1.258 1.523 -4.142 1.00 0.00 N ATOM 448 CA GLU A 27 0.769 0.623 -5.174 1.00 0.00 C ATOM 449 C GLU A 27 1.769 -0.500 -5.416 1.00 0.00 C ATOM 450 O GLU A 27 1.392 -1.631 -5.723 1.00 0.00 O ATOM 451 CB GLU A 27 0.512 1.394 -6.471 1.00 0.00 C ATOM 452 CG GLU A 27 -0.737 0.943 -7.211 1.00 0.00 C ATOM 453 CD GLU A 27 -1.322 2.036 -8.084 1.00 0.00 C ATOM 454 OE1 GLU A 27 -1.091 3.225 -7.783 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.011 1.701 -9.072 1.00 0.00 O ATOM 0 H GLU A 27 1.604 2.418 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.170 0.184 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.424 2.456 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.374 1.280 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.496 0.078 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.486 0.620 -6.489 1.00 0.00 H new ATOM 462 N LEU A 28 3.049 -0.176 -5.265 1.00 0.00 N ATOM 463 CA LEU A 28 4.114 -1.149 -5.453 1.00 0.00 C ATOM 464 C LEU A 28 4.049 -2.216 -4.360 1.00 0.00 C ATOM 465 O LEU A 28 4.118 -3.412 -4.642 1.00 0.00 O ATOM 466 CB LEU A 28 5.474 -0.426 -5.457 1.00 0.00 C ATOM 467 CG LEU A 28 6.707 -1.281 -5.138 1.00 0.00 C ATOM 468 CD1 LEU A 28 7.948 -0.683 -5.780 1.00 0.00 C ATOM 469 CD2 LEU A 28 6.891 -1.397 -3.633 1.00 0.00 C ATOM 0 H LEU A 28 3.373 0.758 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 28 3.990 -1.651 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.617 0.025 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.429 0.389 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 28 6.554 -2.279 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.814 -1.302 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.815 -0.643 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.107 0.325 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.769 -2.006 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.026 -0.404 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.010 -1.865 -3.194 1.00 0.00 H new ATOM 481 N ILE A 29 3.899 -1.774 -3.116 1.00 0.00 N ATOM 482 CA ILE A 29 3.808 -2.695 -1.995 1.00 0.00 C ATOM 483 C ILE A 29 2.505 -3.481 -2.066 1.00 0.00 C ATOM 484 O ILE A 29 2.444 -4.643 -1.666 1.00 0.00 O ATOM 485 CB ILE A 29 3.889 -1.956 -0.644 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.126 -1.057 -0.600 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.920 -2.951 0.506 1.00 0.00 C ATOM 488 CD1 ILE A 29 4.944 0.180 0.251 1.00 0.00 C ATOM 0 H ILE A 29 3.838 -0.788 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 29 4.655 -3.378 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 29 3.001 -1.332 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.969 -1.631 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.382 -0.755 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.977 -2.412 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.014 -3.557 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.791 -3.598 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.860 0.770 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.122 0.776 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.718 -0.114 1.276 1.00 0.00 H new ATOM 500 N GLU A 30 1.467 -2.841 -2.597 1.00 0.00 N ATOM 501 CA GLU A 30 0.167 -3.482 -2.741 1.00 0.00 C ATOM 502 C GLU A 30 0.187 -4.452 -3.914 1.00 0.00 C ATOM 503 O GLU A 30 -0.488 -5.482 -3.896 1.00 0.00 O ATOM 504 CB GLU A 30 -0.926 -2.431 -2.951 1.00 0.00 C ATOM 505 CG GLU A 30 -2.325 -2.936 -2.631 1.00 0.00 C ATOM 506 CD GLU A 30 -3.329 -2.612 -3.721 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.082 -2.990 -4.887 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.362 -1.983 -3.410 1.00 0.00 O ATOM 0 H GLU A 30 1.503 -1.879 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.050 -4.035 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.710 -1.564 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.899 -2.092 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.292 -4.015 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.660 -2.495 -1.692 1.00 0.00 H new ATOM 515 N ASN A 31 0.972 -4.117 -4.933 1.00 0.00 N ATOM 516 CA ASN A 31 1.093 -4.954 -6.118 1.00 0.00 C ATOM 517 C ASN A 31 1.843 -6.243 -5.800 1.00 0.00 C ATOM 518 O ASN A 31 1.612 -7.277 -6.427 1.00 0.00 O ATOM 519 CB ASN A 31 1.809 -4.188 -7.232 1.00 0.00 C ATOM 520 CG ASN A 31 0.862 -3.329 -8.046 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.133 -2.820 -7.528 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.167 -3.164 -9.327 1.00 0.00 N ATOM 0 H ASN A 31 1.536 -3.267 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 31 0.090 -5.217 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.583 -3.557 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.310 -4.896 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.567 -2.596 -9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.002 -3.605 -9.713 1.00 0.00 H new ATOM 529 N GLU A 32 2.732 -6.181 -4.812 1.00 0.00 N ATOM 530 CA GLU A 32 3.497 -7.354 -4.406 1.00 0.00 C ATOM 531 C GLU A 32 2.641 -8.228 -3.506 1.00 0.00 C ATOM 532 O GLU A 32 2.548 -9.441 -3.695 1.00 0.00 O ATOM 533 CB GLU A 32 4.776 -6.936 -3.679 1.00 0.00 C ATOM 534 CG GLU A 32 5.876 -7.986 -3.731 1.00 0.00 C ATOM 535 CD GLU A 32 7.010 -7.601 -4.660 1.00 0.00 C ATOM 536 OE1 GLU A 32 7.290 -6.390 -4.785 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.618 -8.509 -5.264 1.00 0.00 O ATOM 0 H GLU A 32 2.939 -5.335 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 32 3.780 -7.919 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.148 -6.010 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.538 -6.722 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.271 -8.142 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.451 -8.935 -4.057 1.00 0.00 H new ATOM 544 N ILE A 33 1.994 -7.588 -2.542 1.00 0.00 N ATOM 545 CA ILE A 33 1.113 -8.278 -1.619 1.00 0.00 C ATOM 546 C ILE A 33 -0.065 -8.876 -2.386 1.00 0.00 C ATOM 547 O ILE A 33 -0.579 -9.936 -2.028 1.00 0.00 O ATOM 548 CB ILE A 33 0.600 -7.309 -0.529 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.779 -6.710 0.238 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.353 -8.005 0.437 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.441 -5.418 0.951 1.00 0.00 C ATOM 0 H ILE A 33 2.066 -6.583 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 33 1.671 -9.078 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 33 0.048 -6.511 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.134 -7.437 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.600 -6.529 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.693 -7.293 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.212 -8.390 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.164 -8.831 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.323 -5.050 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.114 -4.675 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.642 -5.598 1.670 1.00 0.00 H new ATOM 563 N LYS A 34 -0.478 -8.191 -3.452 1.00 0.00 N ATOM 564 CA LYS A 34 -1.582 -8.661 -4.277 1.00 0.00 C ATOM 565 C LYS A 34 -1.170 -9.914 -5.037 1.00 0.00 C ATOM 566 O LYS A 34 -1.890 -10.912 -5.046 1.00 0.00 O ATOM 567 CB LYS A 34 -2.016 -7.566 -5.251 1.00 0.00 C ATOM 568 CG LYS A 34 -3.112 -6.670 -4.701 1.00 0.00 C ATOM 569 CD LYS A 34 -4.486 -7.118 -5.168 1.00 0.00 C ATOM 570 CE LYS A 34 -5.583 -6.537 -4.291 1.00 0.00 C ATOM 571 NZ LYS A 34 -6.787 -7.413 -4.256 1.00 0.00 N ATOM 0 H LYS A 34 -0.064 -7.312 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.426 -8.906 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.151 -6.954 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.364 -8.029 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.077 -6.678 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.936 -5.642 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.641 -6.807 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.542 -8.206 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.204 -6.400 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.862 -5.551 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.512 -6.982 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.164 -7.524 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.527 -8.346 -3.877 1.00 0.00 H new ATOM 585 N ARG A 35 0.004 -9.861 -5.659 1.00 0.00 N ATOM 586 CA ARG A 35 0.523 -11.001 -6.402 1.00 0.00 C ATOM 587 C ARG A 35 0.891 -12.141 -5.450 1.00 0.00 C ATOM 588 O ARG A 35 0.942 -13.304 -5.851 1.00 0.00 O ATOM 589 CB ARG A 35 1.747 -10.589 -7.222 1.00 0.00 C ATOM 590 CG ARG A 35 1.985 -11.464 -8.443 1.00 0.00 C ATOM 591 CD ARG A 35 1.418 -10.835 -9.709 1.00 0.00 C ATOM 592 NE ARG A 35 0.344 -11.640 -10.287 1.00 0.00 N ATOM 593 CZ ARG A 35 -0.209 -11.406 -11.478 1.00 0.00 C ATOM 594 NH1 ARG A 35 0.203 -10.389 -12.228 1.00 0.00 N ATOM 595 NH2 ARG A 35 -1.179 -12.195 -11.921 1.00 0.00 N ATOM 0 H ARG A 35 0.612 -9.042 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.255 -11.350 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.626 -9.555 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.630 -10.623 -6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.055 -11.631 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.527 -12.440 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.041 -9.838 -9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.215 -10.714 -10.442 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.005 -12.431 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.949 -9.779 -11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.227 -10.219 -13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.500 -12.978 -11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.604 -12.019 -12.831 1.00 0.00 H new ATOM 609 N ARG A 36 1.140 -11.799 -4.184 1.00 0.00 N ATOM 610 CA ARG A 36 1.496 -12.786 -3.172 1.00 0.00 C ATOM 611 C ARG A 36 0.256 -13.440 -2.551 1.00 0.00 C ATOM 612 O ARG A 36 0.372 -14.186 -1.579 1.00 0.00 O ATOM 613 CB ARG A 36 2.332 -12.120 -2.074 1.00 0.00 C ATOM 614 CG ARG A 36 3.820 -12.055 -2.394 1.00 0.00 C ATOM 615 CD ARG A 36 4.651 -12.838 -1.388 1.00 0.00 C ATOM 616 NE ARG A 36 4.907 -14.206 -1.835 1.00 0.00 N ATOM 617 CZ ARG A 36 5.349 -15.183 -1.041 1.00 0.00 C ATOM 618 NH1 ARG A 36 5.589 -14.952 0.245 1.00 0.00 N ATOM 619 NH2 ARG A 36 5.550 -16.396 -1.536 1.00 0.00 N ATOM 0 H ARG A 36 1.100 -10.840 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 36 2.076 -13.569 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.960 -11.109 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.193 -12.667 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.994 -12.451 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.145 -11.015 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.600 -12.326 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.133 -12.861 -0.429 1.00 0.00 H new ATOM 0 HE ARG A 36 4.737 -14.428 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.436 -14.021 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.927 -15.705 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.367 -16.581 -2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.888 -17.144 -0.931 1.00 0.00 H new ATOM 633 N SER A 37 -0.930 -13.158 -3.102 1.00 0.00 N ATOM 634 CA SER A 37 -2.166 -13.728 -2.572 1.00 0.00 C ATOM 635 C SER A 37 -2.356 -13.326 -1.114 1.00 0.00 C ATOM 636 O SER A 37 -2.886 -14.090 -0.309 1.00 0.00 O ATOM 637 CB SER A 37 -2.147 -15.253 -2.698 1.00 0.00 C ATOM 638 OG SER A 37 -3.462 -15.779 -2.727 1.00 0.00 O ATOM 0 H SER A 37 -1.056 -12.544 -3.907 1.00 0.00 H new ATOM 0 HA SER A 37 -3.001 -13.338 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.617 -15.539 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.598 -15.683 -1.860 1.00 0.00 H new ATOM 0 HG SER A 37 -3.422 -16.755 -2.809 1.00 0.00 H new ATOM 644 N LEU A 38 -1.905 -12.121 -0.785 1.00 0.00 N ATOM 645 CA LEU A 38 -2.005 -11.605 0.573 1.00 0.00 C ATOM 646 C LEU A 38 -2.766 -10.281 0.611 1.00 0.00 C ATOM 647 O LEU A 38 -2.628 -9.514 1.562 1.00 0.00 O ATOM 648 CB LEU A 38 -0.606 -11.423 1.153 1.00 0.00 C ATOM 649 CG LEU A 38 -0.524 -11.501 2.674 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.687 -12.939 3.138 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.794 -10.929 3.161 1.00 0.00 C ATOM 0 H LEU A 38 -1.464 -11.481 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.561 -12.325 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.049 -12.185 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.219 -10.456 0.832 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.334 -10.908 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.626 -12.979 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.656 -13.318 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.105 -13.552 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.838 -10.991 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.618 -11.498 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.874 -9.886 2.854 1.00 0.00 H new ATOM 663 N GLY A 39 -3.576 -10.015 -0.415 1.00 0.00 N ATOM 664 CA GLY A 39 -4.340 -8.781 -0.442 1.00 0.00 C ATOM 665 C GLY A 39 -5.340 -8.707 0.697 1.00 0.00 C ATOM 666 O GLY A 39 -5.723 -7.623 1.127 1.00 0.00 O ATOM 0 H GLY A 39 -3.714 -10.627 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.659 -7.932 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.867 -8.701 -1.393 1.00 0.00 H new ATOM 670 N HIS A 40 -5.761 -9.864 1.201 1.00 0.00 N ATOM 671 CA HIS A 40 -6.709 -9.900 2.308 1.00 0.00 C ATOM 672 C HIS A 40 -6.108 -9.244 3.553 1.00 0.00 C ATOM 673 O HIS A 40 -6.833 -8.762 4.423 1.00 0.00 O ATOM 674 CB HIS A 40 -7.127 -11.343 2.612 1.00 0.00 C ATOM 675 CG HIS A 40 -6.024 -12.198 3.158 1.00 0.00 C ATOM 676 ND1 HIS A 40 -6.240 -13.219 4.060 1.00 0.00 N ATOM 677 CD2 HIS A 40 -4.690 -12.182 2.924 1.00 0.00 C ATOM 678 CE1 HIS A 40 -5.087 -13.791 4.358 1.00 0.00 C ATOM 679 NE2 HIS A 40 -4.132 -13.182 3.683 1.00 0.00 N ATOM 0 H HIS A 40 -5.464 -10.780 0.864 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.596 -9.338 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.949 -11.329 3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.508 -11.800 1.698 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -7.148 -13.490 4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.163 -11.509 2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.950 -14.618 5.039 1.00 0.00 H new ATOM 688 N ILE A 41 -4.776 -9.226 3.627 1.00 0.00 N ATOM 689 CA ILE A 41 -4.073 -8.630 4.755 1.00 0.00 C ATOM 690 C ILE A 41 -4.155 -7.097 4.695 1.00 0.00 C ATOM 691 O ILE A 41 -4.152 -6.419 5.723 1.00 0.00 O ATOM 692 CB ILE A 41 -2.590 -9.107 4.781 1.00 0.00 C ATOM 693 CG1 ILE A 41 -2.030 -9.059 6.202 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.704 -8.307 3.825 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.806 -9.920 7.170 1.00 0.00 C ATOM 0 H ILE A 41 -4.163 -9.621 2.913 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.554 -8.957 5.677 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.583 -10.141 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.990 -9.384 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.037 -8.028 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.681 -8.678 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.075 -8.418 2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.724 -7.254 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.361 -9.844 8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.841 -9.580 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.777 -10.958 6.838 1.00 0.00 H new ATOM 707 N ILE A 42 -4.222 -6.571 3.473 1.00 0.00 N ATOM 708 CA ILE A 42 -4.299 -5.132 3.246 1.00 0.00 C ATOM 709 C ILE A 42 -5.743 -4.672 3.084 1.00 0.00 C ATOM 710 O ILE A 42 -6.617 -5.457 2.716 1.00 0.00 O ATOM 711 CB ILE A 42 -3.519 -4.714 1.978 1.00 0.00 C ATOM 712 CG1 ILE A 42 -3.900 -5.597 0.801 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.029 -4.792 2.205 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.334 -5.121 -0.521 1.00 0.00 C ATOM 0 H ILE A 42 -4.224 -7.128 2.618 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.855 -4.661 4.123 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.785 -3.681 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.552 -6.612 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.987 -5.641 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.506 -4.492 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.750 -4.125 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.753 -5.815 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.646 -5.799 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.702 -4.117 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.246 -5.104 -0.466 1.00 0.00 H new ATOM 726 N SER A 43 -5.979 -3.389 3.334 1.00 0.00 N ATOM 727 CA SER A 43 -7.310 -2.816 3.188 1.00 0.00 C ATOM 728 C SER A 43 -7.469 -2.249 1.782 1.00 0.00 C ATOM 729 O SER A 43 -7.397 -1.037 1.575 1.00 0.00 O ATOM 730 CB SER A 43 -7.541 -1.721 4.230 1.00 0.00 C ATOM 731 OG SER A 43 -8.847 -1.180 4.121 1.00 0.00 O ATOM 0 H SER A 43 -5.265 -2.727 3.639 1.00 0.00 H new ATOM 0 HA SER A 43 -8.052 -3.599 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.396 -2.130 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.804 -0.929 4.099 1.00 0.00 H new ATOM 0 HG SER A 43 -8.970 -0.483 4.799 1.00 0.00 H new ATOM 737 N VAL A 44 -7.658 -3.141 0.816 1.00 0.00 N ATOM 738 CA VAL A 44 -7.797 -2.740 -0.584 1.00 0.00 C ATOM 739 C VAL A 44 -9.183 -2.164 -0.850 1.00 0.00 C ATOM 740 O VAL A 44 -10.088 -2.292 -0.025 1.00 0.00 O ATOM 741 CB VAL A 44 -7.554 -3.919 -1.564 1.00 0.00 C ATOM 742 CG1 VAL A 44 -7.047 -3.402 -2.896 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.574 -4.933 -1.002 1.00 0.00 C ATOM 0 H VAL A 44 -7.719 -4.147 0.974 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.035 -1.980 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.511 -4.422 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.881 -4.240 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.785 -2.727 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.110 -2.867 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.434 -5.740 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.617 -4.447 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.966 -5.341 -0.070 1.00 0.00 H new ATOM 753 N SER A 45 -9.344 -1.530 -2.007 1.00 0.00 N ATOM 754 CA SER A 45 -10.622 -0.936 -2.381 1.00 0.00 C ATOM 755 C SER A 45 -11.468 -1.924 -3.178 1.00 0.00 C ATOM 756 O SER A 45 -11.377 -1.987 -4.404 1.00 0.00 O ATOM 757 CB SER A 45 -10.395 0.335 -3.201 1.00 0.00 C ATOM 758 OG SER A 45 -11.592 0.754 -3.834 1.00 0.00 O ATOM 0 H SER A 45 -8.606 -1.415 -2.701 1.00 0.00 H new ATOM 0 HA SER A 45 -11.158 -0.681 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.026 1.129 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.626 0.154 -3.953 1.00 0.00 H new ATOM 0 HG SER A 45 -11.421 1.569 -4.351 1.00 0.00 H new ATOM 764 N SER A 46 -12.290 -2.694 -2.473 1.00 0.00 N ATOM 765 CA SER A 46 -13.154 -3.679 -3.114 1.00 0.00 C ATOM 766 C SER A 46 -14.472 -3.820 -2.360 1.00 0.00 C ATOM 767 O SER A 46 -15.464 -3.188 -2.781 1.00 0.00 O ATOM 768 CB SER A 46 -12.449 -5.035 -3.188 1.00 0.00 C ATOM 769 OG SER A 46 -11.239 -4.941 -3.920 1.00 0.00 O ATOM 770 OXT SER A 46 -14.503 -4.560 -1.355 1.00 0.00 O ATOM 0 H SER A 46 -12.376 -2.655 -1.457 1.00 0.00 H new ATOM 0 HA SER A 46 -13.370 -3.333 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.241 -5.396 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.107 -5.765 -3.659 1.00 0.00 H new ATOM 0 HG SER A 46 -10.807 -5.820 -3.952 1.00 0.00 H new TER 776 SER A 46