USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 35 SER OG : rot -140:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0.0663 USER MOD Set 3.2: A 10 LYS NZ :NH3+ 151:sc= 0.0626 (180deg=-0.356) USER MOD Single : A 1 THR N :NH3+ -117:sc= 0.00787 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 116:sc= 0.929 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 75:sc= 0.357 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0313) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-0.51) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0.0169 (180deg=0.0118) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -27.468 -8.077 -11.056 1.00 0.00 N ATOM 2 CA THR A 1 -28.568 -9.041 -11.314 1.00 0.00 C ATOM 3 C THR A 1 -28.105 -10.159 -12.319 1.00 0.00 C ATOM 4 O THR A 1 -27.360 -9.838 -13.253 1.00 0.00 O ATOM 5 CB THR A 1 -29.864 -8.308 -11.828 1.00 0.00 C ATOM 6 OG1 THR A 1 -29.638 -7.763 -13.124 1.00 0.00 O ATOM 7 CG2 THR A 1 -30.488 -7.163 -10.988 1.00 0.00 C ATOM 0 H1 THR A 1 -27.204 -8.113 -10.051 1.00 0.00 H new ATOM 0 H2 THR A 1 -26.644 -8.326 -11.640 1.00 0.00 H new ATOM 0 H3 THR A 1 -27.785 -7.116 -11.297 1.00 0.00 H new ATOM 0 HA THR A 1 -28.821 -9.523 -10.370 1.00 0.00 H new ATOM 0 HB THR A 1 -30.585 -9.124 -11.775 1.00 0.00 H new ATOM 0 HG1 THR A 1 -30.232 -8.199 -13.770 1.00 0.00 H new ATOM 0 HG21 THR A 1 -31.372 -6.778 -11.497 1.00 0.00 H new ATOM 0 HG22 THR A 1 -30.771 -7.544 -10.007 1.00 0.00 H new ATOM 0 HG23 THR A 1 -29.760 -6.361 -10.869 1.00 0.00 H new ATOM 17 N PRO A 2 -28.526 -11.461 -12.222 1.00 0.00 N ATOM 18 CA PRO A 2 -28.102 -12.526 -13.177 1.00 0.00 C ATOM 19 C PRO A 2 -28.783 -12.393 -14.575 1.00 0.00 C ATOM 20 O PRO A 2 -30.003 -12.212 -14.662 1.00 0.00 O ATOM 21 CB PRO A 2 -28.537 -13.818 -12.435 1.00 0.00 C ATOM 22 CG PRO A 2 -29.739 -13.400 -11.585 1.00 0.00 C ATOM 23 CD PRO A 2 -29.396 -11.977 -11.142 1.00 0.00 C ATOM 0 HA PRO A 2 -27.039 -12.491 -13.413 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -28.806 -14.606 -13.139 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.730 -14.207 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -30.665 -13.428 -12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -29.875 -14.063 -10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -30.293 -11.368 -11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -28.883 -11.972 -10.180 1.00 0.00 H new ATOM 31 N ASP A 3 -27.973 -12.476 -15.652 1.00 0.00 N ATOM 32 CA ASP A 3 -28.435 -12.318 -17.065 1.00 0.00 C ATOM 33 C ASP A 3 -28.774 -10.843 -17.382 1.00 0.00 C ATOM 34 O ASP A 3 -27.871 -10.083 -17.749 1.00 0.00 O ATOM 35 CB ASP A 3 -29.462 -13.389 -17.554 1.00 0.00 C ATOM 36 CG ASP A 3 -28.924 -14.823 -17.621 1.00 0.00 C ATOM 37 OD1 ASP A 3 -28.356 -15.209 -18.668 1.00 0.00 O ATOM 38 OD2 ASP A 3 -29.063 -15.568 -16.625 1.00 0.00 O ATOM 0 H ASP A 3 -26.972 -12.655 -15.575 1.00 0.00 H new ATOM 0 HA ASP A 3 -27.586 -12.561 -17.704 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -30.325 -13.372 -16.889 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -29.817 -13.104 -18.544 1.00 0.00 H new ATOM 43 N VAL A 4 -30.050 -10.445 -17.237 1.00 0.00 N ATOM 44 CA VAL A 4 -30.488 -9.050 -17.490 1.00 0.00 C ATOM 45 C VAL A 4 -31.447 -8.593 -16.348 1.00 0.00 C ATOM 46 O VAL A 4 -31.219 -8.901 -15.173 1.00 0.00 O ATOM 47 CB VAL A 4 -30.865 -8.891 -19.008 1.00 0.00 C ATOM 48 CG1 VAL A 4 -32.196 -9.542 -19.456 1.00 0.00 C ATOM 49 CG2 VAL A 4 -30.761 -7.432 -19.491 1.00 0.00 C ATOM 0 H VAL A 4 -30.803 -11.068 -16.945 1.00 0.00 H new ATOM 0 HA VAL A 4 -29.710 -8.291 -17.403 1.00 0.00 H new ATOM 0 HB VAL A 4 -30.099 -9.481 -19.511 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -32.347 -9.365 -20.521 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -32.158 -10.615 -19.268 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -33.022 -9.105 -18.895 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -31.032 -7.378 -20.545 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -31.439 -6.807 -18.910 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -29.739 -7.077 -19.360 1.00 0.00 H new ATOM 59 N SER A 5 -32.436 -7.745 -16.679 1.00 0.00 N ATOM 60 CA SER A 5 -33.039 -6.753 -15.740 1.00 0.00 C ATOM 61 C SER A 5 -31.987 -5.732 -15.192 1.00 0.00 C ATOM 62 O SER A 5 -31.738 -5.661 -13.985 1.00 0.00 O ATOM 63 CB SER A 5 -33.939 -7.422 -14.670 1.00 0.00 C ATOM 64 OG SER A 5 -34.703 -6.447 -13.970 1.00 0.00 O ATOM 0 H SER A 5 -32.850 -7.720 -17.611 1.00 0.00 H new ATOM 0 HA SER A 5 -33.729 -6.135 -16.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.607 -8.140 -15.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.321 -7.980 -13.966 1.00 0.00 H new ATOM 0 HG SER A 5 -35.265 -6.890 -13.301 1.00 0.00 H new ATOM 70 N SER A 6 -31.355 -4.969 -16.115 1.00 0.00 N ATOM 71 CA SER A 6 -30.225 -4.042 -15.811 1.00 0.00 C ATOM 72 C SER A 6 -28.925 -4.792 -15.366 1.00 0.00 C ATOM 73 O SER A 6 -28.512 -4.708 -14.206 1.00 0.00 O ATOM 74 CB SER A 6 -30.649 -2.856 -14.905 1.00 0.00 C ATOM 75 OG SER A 6 -29.647 -1.848 -14.890 1.00 0.00 O ATOM 0 H SER A 6 -31.613 -4.975 -17.102 1.00 0.00 H new ATOM 0 HA SER A 6 -29.943 -3.567 -16.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.588 -2.436 -15.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.827 -3.213 -13.891 1.00 0.00 H new ATOM 0 HG SER A 6 -29.935 -1.109 -14.314 1.00 0.00 H new ATOM 81 N ALA A 7 -28.290 -5.523 -16.304 1.00 0.00 N ATOM 82 CA ALA A 7 -26.959 -6.159 -16.102 1.00 0.00 C ATOM 83 C ALA A 7 -26.220 -6.248 -17.465 1.00 0.00 C ATOM 84 O ALA A 7 -25.165 -5.629 -17.610 1.00 0.00 O ATOM 85 CB ALA A 7 -27.053 -7.512 -15.373 1.00 0.00 C ATOM 0 H ALA A 7 -28.682 -5.694 -17.230 1.00 0.00 H new ATOM 0 HA ALA A 7 -26.368 -5.531 -15.436 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -26.054 -7.931 -15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -27.506 -7.366 -14.392 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -27.666 -8.198 -15.957 1.00 0.00 H new ATOM 91 N LEU A 8 -26.787 -6.948 -18.475 1.00 0.00 N ATOM 92 CA LEU A 8 -26.446 -6.709 -19.910 1.00 0.00 C ATOM 93 C LEU A 8 -26.934 -5.325 -20.457 1.00 0.00 C ATOM 94 O LEU A 8 -26.175 -4.646 -21.154 1.00 0.00 O ATOM 95 CB LEU A 8 -26.954 -7.919 -20.749 1.00 0.00 C ATOM 96 CG LEU A 8 -26.556 -7.966 -22.252 1.00 0.00 C ATOM 97 CD1 LEU A 8 -25.035 -8.093 -22.476 1.00 0.00 C ATOM 98 CD2 LEU A 8 -27.293 -9.114 -22.970 1.00 0.00 C ATOM 0 H LEU A 8 -27.481 -7.682 -18.331 1.00 0.00 H new ATOM 0 HA LEU A 8 -25.362 -6.643 -20.001 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -26.592 -8.832 -20.276 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -28.042 -7.938 -20.688 1.00 0.00 H new ATOM 0 HG LEU A 8 -26.859 -7.010 -22.678 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -24.826 -8.120 -23.545 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -24.529 -7.237 -22.029 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -24.674 -9.011 -22.012 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -27.003 -9.132 -24.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -27.029 -10.063 -22.504 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -28.369 -8.959 -22.894 1.00 0.00 H new ATOM 110 N ASP A 9 -28.167 -4.902 -20.109 1.00 0.00 N ATOM 111 CA ASP A 9 -28.661 -3.513 -20.304 1.00 0.00 C ATOM 112 C ASP A 9 -27.872 -2.381 -19.567 1.00 0.00 C ATOM 113 O ASP A 9 -27.768 -1.283 -20.126 1.00 0.00 O ATOM 114 CB ASP A 9 -30.176 -3.478 -19.949 1.00 0.00 C ATOM 115 CG ASP A 9 -31.111 -3.738 -21.138 1.00 0.00 C ATOM 116 OD1 ASP A 9 -31.277 -4.911 -21.538 1.00 0.00 O ATOM 117 OD2 ASP A 9 -31.679 -2.766 -21.683 1.00 0.00 O ATOM 0 H ASP A 9 -28.858 -5.517 -19.680 1.00 0.00 H new ATOM 0 HA ASP A 9 -28.488 -3.275 -21.354 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -30.373 -4.222 -19.177 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -30.414 -2.504 -19.521 1.00 0.00 H new ATOM 122 N LYS A 10 -27.292 -2.629 -18.370 1.00 0.00 N ATOM 123 CA LYS A 10 -26.271 -1.727 -17.767 1.00 0.00 C ATOM 124 C LYS A 10 -24.937 -1.727 -18.584 1.00 0.00 C ATOM 125 O LYS A 10 -24.573 -0.677 -19.118 1.00 0.00 O ATOM 126 CB LYS A 10 -26.091 -2.065 -16.258 1.00 0.00 C ATOM 127 CG LYS A 10 -25.188 -1.073 -15.483 1.00 0.00 C ATOM 128 CD LYS A 10 -24.872 -1.434 -14.015 1.00 0.00 C ATOM 129 CE LYS A 10 -25.981 -1.159 -12.978 1.00 0.00 C ATOM 130 NZ LYS A 10 -27.028 -2.194 -12.944 1.00 0.00 N ATOM 0 H LYS A 10 -27.511 -3.445 -17.799 1.00 0.00 H new ATOM 0 HA LYS A 10 -26.625 -0.698 -17.820 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -27.072 -2.090 -15.784 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -25.669 -3.066 -16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -24.245 -0.977 -16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -25.665 -0.093 -15.499 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -24.622 -2.494 -13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -23.981 -0.883 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -25.530 -1.078 -11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -26.441 -0.196 -13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -27.433 -2.246 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -27.777 -1.953 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -26.615 -3.114 -13.196 1.00 0.00 H new ATOM 144 N LEU A 11 -24.245 -2.883 -18.690 1.00 0.00 N ATOM 145 CA LEU A 11 -22.898 -3.011 -19.324 1.00 0.00 C ATOM 146 C LEU A 11 -22.733 -2.493 -20.788 1.00 0.00 C ATOM 147 O LEU A 11 -21.661 -1.970 -21.106 1.00 0.00 O ATOM 148 CB LEU A 11 -22.435 -4.490 -19.137 1.00 0.00 C ATOM 149 CG LEU A 11 -20.939 -4.822 -19.434 1.00 0.00 C ATOM 150 CD1 LEU A 11 -20.414 -5.934 -18.503 1.00 0.00 C ATOM 151 CD2 LEU A 11 -20.690 -5.238 -20.900 1.00 0.00 C ATOM 0 H LEU A 11 -24.604 -3.769 -18.335 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.241 -2.313 -18.806 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.646 -4.780 -18.108 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.052 -5.119 -19.778 1.00 0.00 H new ATOM 0 HG LEU A 11 -20.395 -3.896 -19.249 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.370 -6.141 -18.736 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.497 -5.609 -17.466 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.004 -6.839 -18.648 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.631 -5.455 -21.042 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.277 -6.127 -21.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.986 -4.426 -21.564 1.00 0.00 H new ATOM 163 N LYS A 12 -23.760 -2.600 -21.660 1.00 0.00 N ATOM 164 CA LYS A 12 -23.735 -2.005 -23.032 1.00 0.00 C ATOM 165 C LYS A 12 -23.430 -0.472 -23.148 1.00 0.00 C ATOM 166 O LYS A 12 -22.773 -0.068 -24.111 1.00 0.00 O ATOM 167 CB LYS A 12 -25.002 -2.430 -23.827 1.00 0.00 C ATOM 168 CG LYS A 12 -26.345 -1.790 -23.402 1.00 0.00 C ATOM 169 CD LYS A 12 -27.554 -2.330 -24.189 1.00 0.00 C ATOM 170 CE LYS A 12 -28.852 -1.561 -23.882 1.00 0.00 C ATOM 171 NZ LYS A 12 -30.002 -2.134 -24.603 1.00 0.00 N ATOM 0 H LYS A 12 -24.626 -3.095 -21.444 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.846 -2.433 -23.495 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -24.835 -2.200 -24.879 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -25.103 -3.513 -23.750 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -26.504 -1.968 -22.338 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -26.284 -0.710 -23.539 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -27.344 -2.269 -25.257 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -27.696 -3.384 -23.951 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -29.045 -1.585 -22.810 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -28.731 -0.514 -24.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -30.860 -1.593 -24.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -29.827 -2.089 -25.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -30.132 -3.126 -24.317 1.00 0.00 H new ATOM 185 N GLU A 13 -23.871 0.355 -22.176 1.00 0.00 N ATOM 186 CA GLU A 13 -23.339 1.731 -21.973 1.00 0.00 C ATOM 187 C GLU A 13 -22.962 1.969 -20.473 1.00 0.00 C ATOM 188 O GLU A 13 -23.507 2.849 -19.799 1.00 0.00 O ATOM 189 CB GLU A 13 -24.284 2.795 -22.606 1.00 0.00 C ATOM 190 CG GLU A 13 -25.747 2.845 -22.098 1.00 0.00 C ATOM 191 CD GLU A 13 -26.578 3.919 -22.803 1.00 0.00 C ATOM 192 OE1 GLU A 13 -26.603 5.075 -22.324 1.00 0.00 O ATOM 193 OE2 GLU A 13 -27.209 3.613 -23.838 1.00 0.00 O ATOM 0 H GLU A 13 -24.600 0.096 -21.512 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.399 1.846 -22.513 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.839 3.777 -22.447 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.307 2.626 -23.683 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -26.214 1.872 -22.250 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -25.749 3.036 -21.025 1.00 0.00 H new ATOM 200 N PHE A 14 -21.982 1.189 -19.972 1.00 0.00 N ATOM 201 CA PHE A 14 -21.397 1.343 -18.610 1.00 0.00 C ATOM 202 C PHE A 14 -19.964 0.721 -18.611 1.00 0.00 C ATOM 203 O PHE A 14 -19.019 1.460 -18.318 1.00 0.00 O ATOM 204 CB PHE A 14 -22.340 0.851 -17.467 1.00 0.00 C ATOM 205 CG PHE A 14 -21.824 1.056 -16.033 1.00 0.00 C ATOM 206 CD1 PHE A 14 -21.930 2.306 -15.413 1.00 0.00 C ATOM 207 CD2 PHE A 14 -21.255 -0.013 -15.329 1.00 0.00 C ATOM 208 CE1 PHE A 14 -21.471 2.486 -14.111 1.00 0.00 C ATOM 209 CE2 PHE A 14 -20.798 0.170 -14.027 1.00 0.00 C ATOM 210 CZ PHE A 14 -20.906 1.418 -13.418 1.00 0.00 C ATOM 0 H PHE A 14 -21.565 0.424 -20.502 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.294 2.402 -18.373 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.296 1.365 -17.565 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -22.533 -0.212 -17.614 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.370 3.135 -15.947 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.171 -0.982 -15.798 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.553 3.454 -13.638 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -20.359 -0.657 -13.488 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.551 1.558 -12.408 1.00 0.00 H new ATOM 220 N GLY A 15 -19.771 -0.576 -18.963 1.00 0.00 N ATOM 221 CA GLY A 15 -18.422 -1.112 -19.310 1.00 0.00 C ATOM 222 C GLY A 15 -17.808 -0.553 -20.622 1.00 0.00 C ATOM 223 O GLY A 15 -16.638 -0.161 -20.625 1.00 0.00 O ATOM 0 H GLY A 15 -20.521 -1.266 -19.015 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.740 -0.896 -18.487 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.489 -2.197 -19.392 1.00 0.00 H new ATOM 227 N ASN A 16 -18.612 -0.466 -21.702 1.00 0.00 N ATOM 228 CA ASN A 16 -18.287 0.331 -22.917 1.00 0.00 C ATOM 229 C ASN A 16 -17.955 1.848 -22.690 1.00 0.00 C ATOM 230 O ASN A 16 -17.101 2.372 -23.411 1.00 0.00 O ATOM 231 CB ASN A 16 -19.471 0.157 -23.911 1.00 0.00 C ATOM 232 CG ASN A 16 -19.210 0.624 -25.358 1.00 0.00 C ATOM 233 OD1 ASN A 16 -19.513 1.758 -25.726 1.00 0.00 O ATOM 234 ND2 ASN A 16 -18.644 -0.230 -26.198 1.00 0.00 N ATOM 0 H ASN A 16 -19.510 -0.946 -21.762 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.348 -0.060 -23.310 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -19.749 -0.897 -23.934 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -20.330 0.704 -23.522 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.455 0.050 -27.160 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.397 -1.168 -25.882 1.00 0.00 H new ATOM 241 N THR A 17 -18.601 2.538 -21.719 1.00 0.00 N ATOM 242 CA THR A 17 -18.343 3.966 -21.400 1.00 0.00 C ATOM 243 C THR A 17 -16.870 4.217 -20.944 1.00 0.00 C ATOM 244 O THR A 17 -16.161 4.903 -21.680 1.00 0.00 O ATOM 245 CB THR A 17 -19.440 4.479 -20.419 1.00 0.00 C ATOM 246 OG1 THR A 17 -20.736 4.295 -20.985 1.00 0.00 O ATOM 247 CG2 THR A 17 -19.321 5.970 -20.073 1.00 0.00 C ATOM 0 H THR A 17 -19.321 2.118 -21.131 1.00 0.00 H new ATOM 0 HA THR A 17 -18.427 4.569 -22.304 1.00 0.00 H new ATOM 0 HB THR A 17 -19.295 3.896 -19.509 1.00 0.00 H new ATOM 0 HG1 THR A 17 -21.416 4.620 -20.358 1.00 0.00 H new ATOM 0 HG21 THR A 17 -20.120 6.249 -19.386 1.00 0.00 H new ATOM 0 HG22 THR A 17 -18.356 6.158 -19.603 1.00 0.00 H new ATOM 0 HG23 THR A 17 -19.402 6.563 -20.984 1.00 0.00 H new ATOM 255 N LEU A 18 -16.396 3.653 -19.807 1.00 0.00 N ATOM 256 CA LEU A 18 -14.965 3.792 -19.380 1.00 0.00 C ATOM 257 C LEU A 18 -13.857 2.986 -20.140 1.00 0.00 C ATOM 258 O LEU A 18 -12.673 3.122 -19.818 1.00 0.00 O ATOM 259 CB LEU A 18 -14.835 3.724 -17.829 1.00 0.00 C ATOM 260 CG LEU A 18 -14.764 2.334 -17.133 1.00 0.00 C ATOM 261 CD1 LEU A 18 -14.377 2.499 -15.649 1.00 0.00 C ATOM 262 CD2 LEU A 18 -16.067 1.521 -17.240 1.00 0.00 C ATOM 0 H LEU A 18 -16.969 3.101 -19.169 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.713 4.794 -19.728 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.938 4.276 -17.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.684 4.260 -17.405 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.998 1.770 -17.665 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.331 1.519 -15.174 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.403 2.983 -15.579 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.124 3.112 -15.144 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.942 0.565 -16.732 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.881 2.076 -16.774 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.302 1.346 -18.290 1.00 0.00 H new ATOM 274 N GLU A 19 -14.234 2.214 -21.169 1.00 0.00 N ATOM 275 CA GLU A 19 -13.295 1.621 -22.155 1.00 0.00 C ATOM 276 C GLU A 19 -12.885 2.646 -23.258 1.00 0.00 C ATOM 277 O GLU A 19 -11.690 2.909 -23.411 1.00 0.00 O ATOM 278 CB GLU A 19 -13.893 0.292 -22.689 1.00 0.00 C ATOM 279 CG GLU A 19 -13.029 -0.527 -23.674 1.00 0.00 C ATOM 280 CD GLU A 19 -11.702 -1.033 -23.096 1.00 0.00 C ATOM 281 OE1 GLU A 19 -11.685 -2.119 -22.477 1.00 0.00 O ATOM 282 OE2 GLU A 19 -10.672 -0.342 -23.257 1.00 0.00 O ATOM 0 H GLU A 19 -15.209 1.976 -21.350 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.351 1.371 -21.671 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.123 -0.343 -21.833 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.839 0.521 -23.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.609 -1.383 -24.019 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.817 0.088 -24.548 1.00 0.00 H new ATOM 289 N ASP A 20 -13.857 3.229 -23.992 1.00 0.00 N ATOM 290 CA ASP A 20 -13.605 4.344 -24.949 1.00 0.00 C ATOM 291 C ASP A 20 -13.157 5.698 -24.301 1.00 0.00 C ATOM 292 O ASP A 20 -12.321 6.387 -24.889 1.00 0.00 O ATOM 293 CB ASP A 20 -14.865 4.503 -25.842 1.00 0.00 C ATOM 294 CG ASP A 20 -14.648 5.345 -27.109 1.00 0.00 C ATOM 295 OD1 ASP A 20 -14.140 4.804 -28.115 1.00 0.00 O ATOM 296 OD2 ASP A 20 -14.981 6.551 -27.097 1.00 0.00 O ATOM 0 H ASP A 20 -14.836 2.947 -23.943 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.737 4.071 -25.549 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.214 3.513 -26.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.659 4.959 -25.250 1.00 0.00 H new ATOM 301 N LYS A 21 -13.688 6.070 -23.116 1.00 0.00 N ATOM 302 CA LYS A 21 -13.234 7.258 -22.336 1.00 0.00 C ATOM 303 C LYS A 21 -11.742 7.199 -21.871 1.00 0.00 C ATOM 304 O LYS A 21 -11.028 8.190 -22.050 1.00 0.00 O ATOM 305 CB LYS A 21 -14.206 7.461 -21.140 1.00 0.00 C ATOM 306 CG LYS A 21 -14.232 8.873 -20.523 1.00 0.00 C ATOM 307 CD LYS A 21 -15.204 8.952 -19.328 1.00 0.00 C ATOM 308 CE LYS A 21 -15.375 10.381 -18.791 1.00 0.00 C ATOM 309 NZ LYS A 21 -16.264 10.414 -17.616 1.00 0.00 N ATOM 0 H LYS A 21 -14.447 5.558 -22.666 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.264 8.120 -23.003 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.214 7.212 -21.471 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.942 6.749 -20.358 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.229 9.146 -20.196 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.528 9.597 -21.282 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.177 8.564 -19.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.840 8.309 -18.527 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.400 10.789 -18.523 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.783 11.019 -19.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.358 11.393 -17.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.201 10.047 -17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.862 9.825 -16.860 1.00 0.00 H new ATOM 323 N ALA A 22 -11.273 6.059 -21.314 1.00 0.00 N ATOM 324 CA ALA A 22 -9.831 5.827 -21.022 1.00 0.00 C ATOM 325 C ALA A 22 -8.885 5.709 -22.256 1.00 0.00 C ATOM 326 O ALA A 22 -7.763 6.217 -22.192 1.00 0.00 O ATOM 327 CB ALA A 22 -9.706 4.576 -20.136 1.00 0.00 C ATOM 0 H ALA A 22 -11.874 5.277 -21.054 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.486 6.729 -20.516 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.655 4.392 -19.913 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.253 4.733 -19.206 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.122 3.716 -20.661 1.00 0.00 H new ATOM 333 N ARG A 23 -9.326 5.079 -23.367 1.00 0.00 N ATOM 334 CA ARG A 23 -8.594 5.083 -24.668 1.00 0.00 C ATOM 335 C ARG A 23 -8.375 6.507 -25.279 1.00 0.00 C ATOM 336 O ARG A 23 -7.245 6.830 -25.653 1.00 0.00 O ATOM 337 CB ARG A 23 -9.331 4.114 -25.635 1.00 0.00 C ATOM 338 CG ARG A 23 -8.573 3.775 -26.940 1.00 0.00 C ATOM 339 CD ARG A 23 -9.355 2.881 -27.926 1.00 0.00 C ATOM 340 NE ARG A 23 -9.511 1.478 -27.459 1.00 0.00 N ATOM 341 CZ ARG A 23 -10.662 0.926 -27.023 1.00 0.00 C ATOM 342 NH1 ARG A 23 -11.817 1.578 -26.929 1.00 0.00 N ATOM 343 NH2 ARG A 23 -10.640 -0.346 -26.667 1.00 0.00 N ATOM 0 H ARG A 23 -10.199 4.551 -23.395 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.577 4.733 -24.494 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.538 3.185 -25.103 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.294 4.552 -25.898 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.311 4.705 -27.444 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.638 3.277 -26.682 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.342 3.313 -28.091 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.843 2.880 -28.888 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.681 0.885 -27.469 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.871 2.561 -27.196 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.649 1.095 -26.590 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.771 -0.877 -26.727 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.492 -0.797 -26.332 1.00 0.00 H new ATOM 357 N GLU A 24 -9.428 7.350 -25.338 1.00 0.00 N ATOM 358 CA GLU A 24 -9.317 8.794 -25.688 1.00 0.00 C ATOM 359 C GLU A 24 -8.429 9.640 -24.717 1.00 0.00 C ATOM 360 O GLU A 24 -7.634 10.447 -25.203 1.00 0.00 O ATOM 361 CB GLU A 24 -10.756 9.369 -25.828 1.00 0.00 C ATOM 362 CG GLU A 24 -10.832 10.769 -26.475 1.00 0.00 C ATOM 363 CD GLU A 24 -12.263 11.300 -26.578 1.00 0.00 C ATOM 364 OE1 GLU A 24 -12.951 10.996 -27.579 1.00 0.00 O ATOM 365 OE2 GLU A 24 -12.705 12.028 -25.663 1.00 0.00 O ATOM 0 H GLU A 24 -10.385 7.053 -25.145 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.783 8.867 -26.635 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.353 8.677 -26.422 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.212 9.416 -24.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.232 11.467 -25.891 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.393 10.728 -27.472 1.00 0.00 H new ATOM 372 N LEU A 25 -8.529 9.451 -23.381 1.00 0.00 N ATOM 373 CA LEU A 25 -7.630 10.107 -22.387 1.00 0.00 C ATOM 374 C LEU A 25 -6.110 9.797 -22.588 1.00 0.00 C ATOM 375 O LEU A 25 -5.314 10.735 -22.632 1.00 0.00 O ATOM 376 CB LEU A 25 -8.138 9.756 -20.956 1.00 0.00 C ATOM 377 CG LEU A 25 -7.488 10.517 -19.765 1.00 0.00 C ATOM 378 CD1 LEU A 25 -7.854 12.017 -19.739 1.00 0.00 C ATOM 379 CD2 LEU A 25 -7.875 9.860 -18.426 1.00 0.00 C ATOM 0 H LEU A 25 -9.230 8.843 -22.957 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.684 11.185 -22.541 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.213 9.935 -20.925 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.988 8.688 -20.797 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.409 10.451 -19.908 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.371 12.495 -18.886 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.514 12.490 -20.660 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.935 12.126 -19.652 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.411 10.406 -17.605 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.959 9.882 -18.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.530 8.826 -18.415 1.00 0.00 H new ATOM 391 N ILE A 26 -5.729 8.515 -22.760 1.00 0.00 N ATOM 392 CA ILE A 26 -4.337 8.091 -23.119 1.00 0.00 C ATOM 393 C ILE A 26 -3.849 8.641 -24.510 1.00 0.00 C ATOM 394 O ILE A 26 -2.665 8.962 -24.627 1.00 0.00 O ATOM 395 CB ILE A 26 -4.206 6.533 -22.957 1.00 0.00 C ATOM 396 CG1 ILE A 26 -4.383 6.100 -21.465 1.00 0.00 C ATOM 397 CG2 ILE A 26 -2.867 5.948 -23.489 1.00 0.00 C ATOM 398 CD1 ILE A 26 -4.711 4.622 -21.251 1.00 0.00 C ATOM 0 H ILE A 26 -6.373 7.731 -22.656 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.644 8.556 -22.418 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.008 6.125 -23.572 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.466 6.334 -20.924 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.177 6.700 -21.021 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.857 4.868 -23.340 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.771 6.168 -24.552 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.034 6.397 -22.949 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.814 4.423 -20.184 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.645 4.380 -21.757 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.908 4.008 -21.659 1.00 0.00 H new ATOM 410 N SER A 27 -4.714 8.763 -25.541 1.00 0.00 N ATOM 411 CA SER A 27 -4.364 9.429 -26.833 1.00 0.00 C ATOM 412 C SER A 27 -3.896 10.917 -26.719 1.00 0.00 C ATOM 413 O SER A 27 -2.868 11.263 -27.309 1.00 0.00 O ATOM 414 CB SER A 27 -5.533 9.293 -27.837 1.00 0.00 C ATOM 415 OG SER A 27 -5.826 7.928 -28.119 1.00 0.00 O ATOM 0 H SER A 27 -5.670 8.408 -25.510 1.00 0.00 H new ATOM 0 HA SER A 27 -3.486 8.897 -27.199 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.420 9.780 -27.432 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.280 9.810 -28.763 1.00 0.00 H new ATOM 0 HG SER A 27 -6.298 7.531 -27.358 1.00 0.00 H new ATOM 421 N ARG A 28 -4.606 11.773 -25.950 1.00 0.00 N ATOM 422 CA ARG A 28 -4.163 13.168 -25.651 1.00 0.00 C ATOM 423 C ARG A 28 -2.940 13.247 -24.678 1.00 0.00 C ATOM 424 O ARG A 28 -1.975 13.952 -24.985 1.00 0.00 O ATOM 425 CB ARG A 28 -5.343 14.038 -25.122 1.00 0.00 C ATOM 426 CG ARG A 28 -6.438 14.459 -26.133 1.00 0.00 C ATOM 427 CD ARG A 28 -7.509 13.389 -26.426 1.00 0.00 C ATOM 428 NE ARG A 28 -8.585 13.883 -27.322 1.00 0.00 N ATOM 429 CZ ARG A 28 -9.761 14.399 -26.908 1.00 0.00 C ATOM 430 NH1 ARG A 28 -10.093 14.571 -25.630 1.00 0.00 N ATOM 431 NH2 ARG A 28 -10.637 14.757 -27.828 1.00 0.00 N ATOM 0 H ARG A 28 -5.497 11.526 -25.519 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.823 13.575 -26.603 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.827 13.491 -24.313 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.922 14.944 -24.687 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.934 15.353 -25.755 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.957 14.735 -27.071 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.033 12.520 -26.881 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.949 13.055 -25.486 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.423 13.828 -28.328 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.439 14.306 -24.893 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.001 14.968 -25.388 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.415 14.640 -28.817 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.536 15.151 -27.550 1.00 0.00 H new ATOM 445 N ILE A 29 -2.978 12.542 -23.525 1.00 0.00 N ATOM 446 CA ILE A 29 -1.915 12.570 -22.479 1.00 0.00 C ATOM 447 C ILE A 29 -0.643 11.822 -22.998 1.00 0.00 C ATOM 448 O ILE A 29 0.335 12.484 -23.354 1.00 0.00 O ATOM 449 CB ILE A 29 -2.552 12.128 -21.100 1.00 0.00 C ATOM 450 CG1 ILE A 29 -3.359 13.251 -20.373 1.00 0.00 C ATOM 451 CG2 ILE A 29 -1.557 11.551 -20.058 1.00 0.00 C ATOM 452 CD1 ILE A 29 -4.582 13.844 -21.089 1.00 0.00 C ATOM 0 H ILE A 29 -3.756 11.927 -23.286 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.527 13.567 -22.272 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.220 11.335 -21.436 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.694 12.854 -19.415 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.671 14.068 -20.156 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.097 11.280 -19.151 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.072 10.666 -20.470 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.803 12.301 -19.821 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.036 14.610 -20.460 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.270 14.289 -22.034 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.309 13.055 -21.282 1.00 0.00 H new ATOM 464 N LYS A 30 -0.657 10.473 -23.048 1.00 0.00 N ATOM 465 CA LYS A 30 0.498 9.626 -23.458 1.00 0.00 C ATOM 466 C LYS A 30 1.801 9.873 -22.633 1.00 0.00 C ATOM 467 O LYS A 30 2.833 10.288 -23.172 1.00 0.00 O ATOM 468 CB LYS A 30 0.668 9.640 -25.011 1.00 0.00 C ATOM 469 CG LYS A 30 1.255 8.349 -25.622 1.00 0.00 C ATOM 470 CD LYS A 30 0.269 7.156 -25.605 1.00 0.00 C ATOM 471 CE LYS A 30 0.776 5.884 -26.311 1.00 0.00 C ATOM 472 NZ LYS A 30 1.866 5.208 -25.582 1.00 0.00 N ATOM 0 H LYS A 30 -1.482 9.927 -22.802 1.00 0.00 H new ATOM 0 HA LYS A 30 0.263 8.596 -23.191 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.305 9.827 -25.465 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.312 10.476 -25.282 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.556 8.547 -26.651 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.156 8.074 -25.074 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.037 6.910 -24.569 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.664 7.468 -26.075 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.055 5.189 -26.434 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.124 6.145 -27.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.162 4.361 -26.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.674 5.856 -25.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.532 4.930 -24.637 1.00 0.00 H new ATOM 486 N GLN A 31 1.709 9.663 -21.302 1.00 0.00 N ATOM 487 CA GLN A 31 2.739 10.054 -20.308 1.00 0.00 C ATOM 488 C GLN A 31 3.187 11.553 -20.370 1.00 0.00 C ATOM 489 O GLN A 31 4.357 11.860 -20.609 1.00 0.00 O ATOM 490 CB GLN A 31 3.886 9.015 -20.276 1.00 0.00 C ATOM 491 CG GLN A 31 3.540 7.642 -19.656 1.00 0.00 C ATOM 492 CD GLN A 31 4.765 6.718 -19.547 1.00 0.00 C ATOM 493 OE1 GLN A 31 5.096 5.986 -20.480 1.00 0.00 O ATOM 494 NE2 GLN A 31 5.461 6.734 -18.419 1.00 0.00 N ATOM 0 H GLN A 31 0.901 9.208 -20.877 1.00 0.00 H new ATOM 0 HA GLN A 31 2.265 10.022 -19.327 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.232 8.853 -21.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.721 9.442 -19.721 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.113 7.792 -18.664 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.775 7.156 -20.262 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.177 7.345 -17.653 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.281 6.136 -18.317 1.00 0.00 H new ATOM 503 N SER A 32 2.235 12.480 -20.152 1.00 0.00 N ATOM 504 CA SER A 32 2.506 13.942 -20.149 1.00 0.00 C ATOM 505 C SER A 32 1.419 14.605 -19.267 1.00 0.00 C ATOM 506 O SER A 32 0.240 14.626 -19.634 1.00 0.00 O ATOM 507 CB SER A 32 2.524 14.521 -21.585 1.00 0.00 C ATOM 508 OG SER A 32 2.915 15.888 -21.571 1.00 0.00 O ATOM 0 H SER A 32 1.259 12.245 -19.973 1.00 0.00 H new ATOM 0 HA SER A 32 3.496 14.148 -19.741 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.212 13.947 -22.205 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.535 14.425 -22.034 1.00 0.00 H new ATOM 0 HG SER A 32 2.922 16.236 -22.487 1.00 0.00 H new ATOM 514 N GLU A 33 1.832 15.115 -18.088 1.00 0.00 N ATOM 515 CA GLU A 33 0.909 15.596 -17.011 1.00 0.00 C ATOM 516 C GLU A 33 0.249 14.498 -16.108 1.00 0.00 C ATOM 517 O GLU A 33 -0.022 14.771 -14.934 1.00 0.00 O ATOM 518 CB GLU A 33 -0.046 16.741 -17.455 1.00 0.00 C ATOM 519 CG GLU A 33 -0.622 17.622 -16.326 1.00 0.00 C ATOM 520 CD GLU A 33 -1.508 18.752 -16.856 1.00 0.00 C ATOM 521 OE1 GLU A 33 -2.728 18.535 -17.025 1.00 0.00 O ATOM 522 OE2 GLU A 33 -0.988 19.862 -17.108 1.00 0.00 O ATOM 0 H GLU A 33 2.818 15.210 -17.845 1.00 0.00 H new ATOM 0 HA GLU A 33 1.597 16.065 -16.307 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.491 17.384 -18.152 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.878 16.300 -18.004 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.202 17.000 -15.644 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.198 18.049 -15.749 1.00 0.00 H new ATOM 529 N LEU A 34 0.075 13.255 -16.601 1.00 0.00 N ATOM 530 CA LEU A 34 0.087 12.046 -15.731 1.00 0.00 C ATOM 531 C LEU A 34 1.551 11.682 -15.328 1.00 0.00 C ATOM 532 O LEU A 34 1.794 11.351 -14.164 1.00 0.00 O ATOM 533 CB LEU A 34 -0.663 10.904 -16.480 1.00 0.00 C ATOM 534 CG LEU A 34 -0.864 9.510 -15.811 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.356 8.576 -15.947 1.00 0.00 C ATOM 536 CD2 LEU A 34 -1.347 9.567 -14.348 1.00 0.00 C ATOM 0 H LEU A 34 -0.075 13.055 -17.590 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.435 12.226 -14.791 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.653 11.283 -16.734 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.135 10.736 -17.419 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.678 9.073 -16.390 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.143 7.625 -15.458 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.565 8.402 -17.003 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.223 9.039 -15.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.460 8.554 -13.962 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.617 10.106 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.307 10.082 -14.301 1.00 0.00 H new ATOM 548 N SER A 35 2.499 11.755 -16.287 1.00 0.00 N ATOM 549 CA SER A 35 3.934 11.540 -16.034 1.00 0.00 C ATOM 550 C SER A 35 4.751 12.727 -16.613 1.00 0.00 C ATOM 551 O SER A 35 5.252 12.720 -17.744 1.00 0.00 O ATOM 552 CB SER A 35 4.351 10.232 -16.698 1.00 0.00 C ATOM 553 OG SER A 35 3.737 9.091 -16.106 1.00 0.00 O ATOM 0 H SER A 35 2.286 11.966 -17.262 1.00 0.00 H new ATOM 0 HA SER A 35 4.125 11.482 -14.962 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.093 10.269 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.434 10.128 -16.637 1.00 0.00 H new ATOM 0 HG SER A 35 4.388 8.361 -16.051 1.00 0.00 H new ATOM 559 N ALA A 36 4.922 13.723 -15.749 1.00 0.00 N ATOM 560 CA ALA A 36 6.137 14.582 -15.731 1.00 0.00 C ATOM 561 C ALA A 36 7.062 14.285 -14.506 1.00 0.00 C ATOM 562 O ALA A 36 8.282 14.413 -14.633 1.00 0.00 O ATOM 563 CB ALA A 36 5.703 16.055 -15.759 1.00 0.00 C ATOM 0 H ALA A 36 4.234 13.970 -15.037 1.00 0.00 H new ATOM 0 HA ALA A 36 6.733 14.357 -16.615 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.585 16.695 -15.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.128 16.248 -16.665 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.087 16.269 -14.886 1.00 0.00 H new ATOM 569 N LYS A 37 6.487 13.879 -13.352 1.00 0.00 N ATOM 570 CA LYS A 37 7.250 13.376 -12.173 1.00 0.00 C ATOM 571 C LYS A 37 7.809 11.930 -12.359 1.00 0.00 C ATOM 572 O LYS A 37 8.967 11.695 -12.003 1.00 0.00 O ATOM 573 CB LYS A 37 6.408 13.487 -10.871 1.00 0.00 C ATOM 574 CG LYS A 37 6.021 14.911 -10.402 1.00 0.00 C ATOM 575 CD LYS A 37 7.209 15.795 -9.965 1.00 0.00 C ATOM 576 CE LYS A 37 6.765 17.179 -9.462 1.00 0.00 C ATOM 577 NZ LYS A 37 7.922 18.002 -9.064 1.00 0.00 N ATOM 0 H LYS A 37 5.478 13.889 -13.205 1.00 0.00 H new ATOM 0 HA LYS A 37 8.121 14.025 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.490 12.916 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.963 13.005 -10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.491 15.413 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.323 14.827 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.764 15.287 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.892 15.920 -10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.205 17.690 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.091 17.061 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.590 18.929 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.442 17.524 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.552 18.134 -9.881 1.00 0.00 H new ATOM 591 N MET A 38 7.033 10.984 -12.938 1.00 0.00 N ATOM 592 CA MET A 38 7.568 9.679 -13.415 1.00 0.00 C ATOM 593 C MET A 38 8.622 9.783 -14.560 1.00 0.00 C ATOM 594 O MET A 38 9.593 9.027 -14.493 1.00 0.00 O ATOM 595 CB MET A 38 6.424 8.719 -13.833 1.00 0.00 C ATOM 596 CG MET A 38 5.491 8.230 -12.710 1.00 0.00 C ATOM 597 SD MET A 38 6.411 7.469 -11.344 1.00 0.00 S ATOM 598 CE MET A 38 7.129 5.991 -12.097 1.00 0.00 C ATOM 0 H MET A 38 6.031 11.097 -13.088 1.00 0.00 H new ATOM 0 HA MET A 38 8.098 9.271 -12.555 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.817 9.220 -14.587 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.869 7.846 -14.311 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.909 9.070 -12.331 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.782 7.508 -13.116 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.653 5.413 -11.336 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.336 5.383 -12.533 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.832 6.285 -12.877 1.00 0.00 H new ATOM 608 N ARG A 39 8.482 10.672 -15.575 1.00 0.00 N ATOM 609 CA ARG A 39 9.503 10.814 -16.662 1.00 0.00 C ATOM 610 C ARG A 39 10.895 11.366 -16.219 1.00 0.00 C ATOM 611 O ARG A 39 11.909 10.814 -16.658 1.00 0.00 O ATOM 612 CB ARG A 39 8.940 11.579 -17.892 1.00 0.00 C ATOM 613 CG ARG A 39 8.070 10.705 -18.824 1.00 0.00 C ATOM 614 CD ARG A 39 7.727 11.396 -20.157 1.00 0.00 C ATOM 615 NE ARG A 39 7.129 10.428 -21.107 1.00 0.00 N ATOM 616 CZ ARG A 39 6.788 10.720 -22.379 1.00 0.00 C ATOM 617 NH1 ARG A 39 6.907 11.931 -22.921 1.00 0.00 N ATOM 618 NH2 ARG A 39 6.303 9.750 -23.131 1.00 0.00 N ATOM 0 H ARG A 39 7.683 11.299 -15.670 1.00 0.00 H new ATOM 0 HA ARG A 39 9.712 9.786 -16.960 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.346 12.424 -17.543 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.772 11.989 -18.465 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.594 9.772 -19.030 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.146 10.444 -18.309 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.032 12.216 -19.979 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.628 11.830 -20.590 1.00 0.00 H new ATOM 0 HE ARG A 39 6.964 9.477 -20.777 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.275 12.704 -22.366 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.630 12.085 -23.891 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.195 8.812 -22.746 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.036 9.939 -24.097 1.00 0.00 H new ATOM 632 N GLU A 40 10.964 12.392 -15.342 1.00 0.00 N ATOM 633 CA GLU A 40 12.234 12.770 -14.645 1.00 0.00 C ATOM 634 C GLU A 40 12.854 11.661 -13.729 1.00 0.00 C ATOM 635 O GLU A 40 14.072 11.474 -13.756 1.00 0.00 O ATOM 636 CB GLU A 40 12.095 14.145 -13.935 1.00 0.00 C ATOM 637 CG GLU A 40 11.150 14.214 -12.714 1.00 0.00 C ATOM 638 CD GLU A 40 10.922 15.635 -12.197 1.00 0.00 C ATOM 639 OE1 GLU A 40 11.695 16.096 -11.329 1.00 0.00 O ATOM 640 OE2 GLU A 40 9.962 16.297 -12.654 1.00 0.00 O ATOM 0 H GLU A 40 10.165 12.976 -15.095 1.00 0.00 H new ATOM 0 HA GLU A 40 12.977 12.874 -15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.087 14.461 -13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.751 14.872 -14.670 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.189 13.776 -12.983 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.564 13.606 -11.910 1.00 0.00 H new ATOM 647 N TRP A 41 12.023 10.912 -12.974 1.00 0.00 N ATOM 648 CA TRP A 41 12.444 9.690 -12.234 1.00 0.00 C ATOM 649 C TRP A 41 13.005 8.526 -13.119 1.00 0.00 C ATOM 650 O TRP A 41 13.958 7.886 -12.675 1.00 0.00 O ATOM 651 CB TRP A 41 11.248 9.244 -11.342 1.00 0.00 C ATOM 652 CG TRP A 41 11.496 8.056 -10.403 1.00 0.00 C ATOM 653 CD1 TRP A 41 11.835 8.135 -9.036 1.00 0.00 C ATOM 654 CD2 TRP A 41 11.405 6.701 -10.686 1.00 0.00 C ATOM 655 NE1 TRP A 41 11.956 6.861 -8.454 1.00 0.00 N ATOM 656 CE2 TRP A 41 11.682 5.987 -9.494 1.00 0.00 C ATOM 657 CE3 TRP A 41 11.134 6.005 -11.895 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.668 4.571 -9.496 1.00 0.00 C ATOM 659 CZ3 TRP A 41 11.133 4.610 -11.871 1.00 0.00 C ATOM 660 CH2 TRP A 41 11.390 3.904 -10.690 1.00 0.00 C ATOM 0 H TRP A 41 11.034 11.134 -12.856 1.00 0.00 H new ATOM 0 HA TRP A 41 13.308 9.951 -11.623 1.00 0.00 H new ATOM 0 HB2 TRP A 41 10.937 10.096 -10.738 1.00 0.00 H new ATOM 0 HB3 TRP A 41 10.411 8.994 -11.994 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.984 9.062 -8.501 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.191 6.632 -7.488 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.934 6.543 -12.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.869 4.018 -8.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.930 4.065 -12.781 1.00 0.00 H new ATOM 0 HH2 TRP A 41 11.373 2.824 -10.703 1.00 0.00 H new ATOM 671 N PHE A 42 12.440 8.217 -14.307 1.00 0.00 N ATOM 672 CA PHE A 42 13.018 7.196 -15.238 1.00 0.00 C ATOM 673 C PHE A 42 14.404 7.595 -15.835 1.00 0.00 C ATOM 674 O PHE A 42 15.250 6.716 -16.003 1.00 0.00 O ATOM 675 CB PHE A 42 12.041 6.845 -16.400 1.00 0.00 C ATOM 676 CG PHE A 42 10.801 5.993 -16.062 1.00 0.00 C ATOM 677 CD1 PHE A 42 10.951 4.666 -15.642 1.00 0.00 C ATOM 678 CD2 PHE A 42 9.513 6.505 -16.249 1.00 0.00 C ATOM 679 CE1 PHE A 42 9.830 3.883 -15.370 1.00 0.00 C ATOM 680 CE2 PHE A 42 8.395 5.725 -15.968 1.00 0.00 C ATOM 681 CZ PHE A 42 8.554 4.416 -15.524 1.00 0.00 C ATOM 0 H PHE A 42 11.585 8.654 -14.652 1.00 0.00 H new ATOM 0 HA PHE A 42 13.172 6.317 -14.612 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.695 7.780 -16.841 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.609 6.321 -17.169 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.940 4.247 -15.528 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.385 7.513 -16.614 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.952 2.862 -15.040 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.404 6.136 -16.095 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.687 3.813 -15.299 1.00 0.00 H new ATOM 691 N SER A 43 14.632 8.893 -16.126 1.00 0.00 N ATOM 692 CA SER A 43 15.976 9.431 -16.465 1.00 0.00 C ATOM 693 C SER A 43 16.709 9.890 -15.166 1.00 0.00 C ATOM 694 O SER A 43 16.755 11.076 -14.836 1.00 0.00 O ATOM 695 CB SER A 43 15.828 10.559 -17.514 1.00 0.00 C ATOM 696 OG SER A 43 15.303 10.059 -18.740 1.00 0.00 O ATOM 0 H SER A 43 13.896 9.599 -16.134 1.00 0.00 H new ATOM 0 HA SER A 43 16.597 8.656 -16.913 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.171 11.337 -17.125 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.798 11.022 -17.693 1.00 0.00 H new ATOM 0 HG SER A 43 15.219 10.793 -19.383 1.00 0.00 H new ATOM 702 N GLU A 44 17.232 8.894 -14.425 1.00 0.00 N ATOM 703 CA GLU A 44 17.634 8.985 -12.986 1.00 0.00 C ATOM 704 C GLU A 44 17.778 7.496 -12.529 1.00 0.00 C ATOM 705 O GLU A 44 18.896 7.007 -12.353 1.00 0.00 O ATOM 706 CB GLU A 44 16.700 9.805 -12.026 1.00 0.00 C ATOM 707 CG GLU A 44 17.175 11.230 -11.678 1.00 0.00 C ATOM 708 CD GLU A 44 16.130 12.013 -10.876 1.00 0.00 C ATOM 709 OE1 GLU A 44 16.040 11.815 -9.643 1.00 0.00 O ATOM 710 OE2 GLU A 44 15.392 12.828 -11.472 1.00 0.00 O ATOM 0 H GLU A 44 17.397 7.966 -14.815 1.00 0.00 H new ATOM 0 HA GLU A 44 18.552 9.569 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.713 9.874 -12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.584 9.245 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.100 11.172 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.403 11.769 -12.598 1.00 0.00 H new ATOM 717 N THR A 45 16.639 6.778 -12.393 1.00 0.00 N ATOM 718 CA THR A 45 16.576 5.299 -12.214 1.00 0.00 C ATOM 719 C THR A 45 16.422 4.619 -13.623 1.00 0.00 C ATOM 720 O THR A 45 15.390 4.047 -13.987 1.00 0.00 O ATOM 721 CB THR A 45 15.359 5.016 -11.294 1.00 0.00 C ATOM 722 OG1 THR A 45 15.360 5.817 -10.112 1.00 0.00 O ATOM 723 CG2 THR A 45 15.207 3.558 -10.839 1.00 0.00 C ATOM 0 H THR A 45 15.717 7.214 -12.404 1.00 0.00 H new ATOM 0 HA THR A 45 17.480 4.894 -11.759 1.00 0.00 H new ATOM 0 HB THR A 45 14.521 5.268 -11.943 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.573 5.601 -9.570 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.328 3.466 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.092 2.915 -11.711 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.093 3.257 -10.281 1.00 0.00 H new ATOM 731 N PHE A 46 17.485 4.748 -14.421 1.00 0.00 N ATOM 732 CA PHE A 46 17.490 4.381 -15.863 1.00 0.00 C ATOM 733 C PHE A 46 17.961 2.918 -16.082 1.00 0.00 C ATOM 734 O PHE A 46 17.160 2.117 -16.562 1.00 0.00 O ATOM 735 CB PHE A 46 18.278 5.472 -16.648 1.00 0.00 C ATOM 736 CG PHE A 46 18.285 5.315 -18.178 1.00 0.00 C ATOM 737 CD1 PHE A 46 17.169 5.693 -18.932 1.00 0.00 C ATOM 738 CD2 PHE A 46 19.412 4.799 -18.830 1.00 0.00 C ATOM 739 CE1 PHE A 46 17.180 5.561 -20.319 1.00 0.00 C ATOM 740 CE2 PHE A 46 19.423 4.676 -20.217 1.00 0.00 C ATOM 741 CZ PHE A 46 18.309 5.055 -20.961 1.00 0.00 C ATOM 0 H PHE A 46 18.380 5.112 -14.094 1.00 0.00 H new ATOM 0 HA PHE A 46 16.479 4.375 -16.270 1.00 0.00 H new ATOM 0 HB2 PHE A 46 17.856 6.447 -16.403 1.00 0.00 H new ATOM 0 HB3 PHE A 46 19.310 5.473 -16.296 1.00 0.00 H new ATOM 0 HD1 PHE A 46 16.295 6.089 -18.437 1.00 0.00 H new ATOM 0 HD2 PHE A 46 20.275 4.496 -18.256 1.00 0.00 H new ATOM 0 HE1 PHE A 46 16.314 5.851 -20.896 1.00 0.00 H new ATOM 0 HE2 PHE A 46 20.297 4.286 -20.717 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.320 4.957 -22.036 1.00 0.00 H new ATOM 751 N GLN A 47 19.213 2.563 -15.729 1.00 0.00 N ATOM 752 CA GLN A 47 19.715 1.162 -15.789 1.00 0.00 C ATOM 753 C GLN A 47 18.994 0.155 -14.831 1.00 0.00 C ATOM 754 O GLN A 47 18.785 -0.997 -15.223 1.00 0.00 O ATOM 755 CB GLN A 47 21.251 1.246 -15.560 1.00 0.00 C ATOM 756 CG GLN A 47 22.079 -0.016 -15.883 1.00 0.00 C ATOM 757 CD GLN A 47 22.135 -1.119 -14.803 1.00 0.00 C ATOM 758 OE1 GLN A 47 21.791 -0.929 -13.635 1.00 0.00 O ATOM 759 NE2 GLN A 47 22.600 -2.300 -15.172 1.00 0.00 N ATOM 0 H GLN A 47 19.907 3.231 -15.395 1.00 0.00 H new ATOM 0 HA GLN A 47 19.483 0.733 -16.764 1.00 0.00 H new ATOM 0 HB2 GLN A 47 21.638 2.068 -16.162 1.00 0.00 H new ATOM 0 HB3 GLN A 47 21.424 1.506 -14.516 1.00 0.00 H new ATOM 0 HG2 GLN A 47 21.680 -0.457 -16.796 1.00 0.00 H new ATOM 0 HG3 GLN A 47 23.100 0.296 -16.100 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.885 -2.457 -16.139 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.674 -3.055 -14.490 1.00 0.00 H new ATOM 768 N LYS A 48 18.596 0.583 -13.612 1.00 0.00 N ATOM 769 CA LYS A 48 17.749 -0.225 -12.684 1.00 0.00 C ATOM 770 C LYS A 48 16.327 -0.632 -13.203 1.00 0.00 C ATOM 771 O LYS A 48 15.806 -1.655 -12.755 1.00 0.00 O ATOM 772 CB LYS A 48 17.605 0.501 -11.316 1.00 0.00 C ATOM 773 CG LYS A 48 18.888 0.930 -10.559 1.00 0.00 C ATOM 774 CD LYS A 48 19.940 -0.162 -10.277 1.00 0.00 C ATOM 775 CE LYS A 48 19.457 -1.302 -9.361 1.00 0.00 C ATOM 776 NZ LYS A 48 20.535 -2.272 -9.098 1.00 0.00 N ATOM 0 H LYS A 48 18.849 1.497 -13.237 1.00 0.00 H new ATOM 0 HA LYS A 48 18.293 -1.165 -12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.003 1.395 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.034 -0.151 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.369 1.722 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.588 1.364 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.263 -0.589 -11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.815 0.304 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.100 -0.887 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.612 -1.811 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.179 -3.027 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.858 -2.684 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.330 -1.789 -8.633 1.00 0.00 H new ATOM 790 N VAL A 49 15.708 0.135 -14.125 1.00 0.00 N ATOM 791 CA VAL A 49 14.498 -0.308 -14.884 1.00 0.00 C ATOM 792 C VAL A 49 14.905 -1.055 -16.186 1.00 0.00 C ATOM 793 O VAL A 49 14.410 -2.159 -16.418 1.00 0.00 O ATOM 794 CB VAL A 49 13.497 0.866 -15.161 1.00 0.00 C ATOM 795 CG1 VAL A 49 12.207 0.437 -15.904 1.00 0.00 C ATOM 796 CG2 VAL A 49 13.047 1.612 -13.879 1.00 0.00 C ATOM 0 H VAL A 49 16.023 1.074 -14.370 1.00 0.00 H new ATOM 0 HA VAL A 49 13.958 -1.013 -14.252 1.00 0.00 H new ATOM 0 HB VAL A 49 14.085 1.527 -15.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.569 1.307 -16.057 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.470 0.006 -16.870 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.674 -0.304 -15.309 1.00 0.00 H new ATOM 0 HG21 VAL A 49 12.356 2.411 -14.147 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.550 0.913 -13.206 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.918 2.038 -13.381 1.00 0.00 H new ATOM 806 N LYS A 50 15.730 -0.438 -17.054 1.00 0.00 N ATOM 807 CA LYS A 50 15.948 -0.892 -18.439 1.00 0.00 C ATOM 808 C LYS A 50 16.651 -2.270 -18.586 1.00 0.00 C ATOM 809 O LYS A 50 16.123 -3.142 -19.279 1.00 0.00 O ATOM 810 CB LYS A 50 16.721 0.264 -19.125 1.00 0.00 C ATOM 811 CG LYS A 50 16.847 0.174 -20.652 1.00 0.00 C ATOM 812 CD LYS A 50 17.872 1.184 -21.203 1.00 0.00 C ATOM 813 CE LYS A 50 19.315 0.645 -21.266 1.00 0.00 C ATOM 814 NZ LYS A 50 20.206 1.547 -22.015 1.00 0.00 N ATOM 0 H LYS A 50 16.267 0.395 -16.811 1.00 0.00 H new ATOM 0 HA LYS A 50 14.990 -1.091 -18.920 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.228 1.203 -18.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.723 0.308 -18.699 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.145 -0.836 -20.933 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.874 0.358 -21.108 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.565 1.488 -22.204 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.856 2.078 -20.580 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.698 0.514 -20.254 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.315 -0.338 -21.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.189 1.221 -21.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.936 1.546 -23.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.123 2.511 -21.635 1.00 0.00 H new ATOM 828 N GLU A 51 17.809 -2.456 -17.928 1.00 0.00 N ATOM 829 CA GLU A 51 18.506 -3.770 -17.879 1.00 0.00 C ATOM 830 C GLU A 51 17.875 -4.843 -16.933 1.00 0.00 C ATOM 831 O GLU A 51 18.261 -6.010 -17.054 1.00 0.00 O ATOM 832 CB GLU A 51 20.010 -3.551 -17.541 1.00 0.00 C ATOM 833 CG GLU A 51 20.843 -2.704 -18.535 1.00 0.00 C ATOM 834 CD GLU A 51 20.947 -3.287 -19.948 1.00 0.00 C ATOM 835 OE1 GLU A 51 21.772 -4.200 -20.168 1.00 0.00 O ATOM 836 OE2 GLU A 51 20.200 -2.835 -20.844 1.00 0.00 O ATOM 0 H GLU A 51 18.290 -1.715 -17.418 1.00 0.00 H new ATOM 0 HA GLU A 51 18.387 -4.196 -18.875 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.071 -3.078 -16.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.482 -4.529 -17.452 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.403 -1.709 -18.600 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.849 -2.583 -18.133 1.00 0.00 H new ATOM 843 N LYS A 52 16.917 -4.499 -16.038 1.00 0.00 N ATOM 844 CA LYS A 52 16.182 -5.508 -15.221 1.00 0.00 C ATOM 845 C LYS A 52 14.912 -6.032 -15.958 1.00 0.00 C ATOM 846 O LYS A 52 14.704 -7.248 -16.006 1.00 0.00 O ATOM 847 CB LYS A 52 15.864 -4.973 -13.796 1.00 0.00 C ATOM 848 CG LYS A 52 17.056 -4.464 -12.947 1.00 0.00 C ATOM 849 CD LYS A 52 18.176 -5.485 -12.652 1.00 0.00 C ATOM 850 CE LYS A 52 19.343 -4.918 -11.820 1.00 0.00 C ATOM 851 NZ LYS A 52 20.168 -3.939 -12.557 1.00 0.00 N ATOM 0 H LYS A 52 16.633 -3.536 -15.861 1.00 0.00 H new ATOM 0 HA LYS A 52 16.842 -6.366 -15.091 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.147 -4.158 -13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.369 -5.769 -13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.499 -3.609 -13.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.667 -4.100 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.747 -6.336 -12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.567 -5.862 -13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.943 -4.444 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.977 -5.741 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.934 -3.597 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.577 -4.393 -13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.575 -3.136 -12.850 1.00 0.00 H new ATOM 865 N LEU A 53 14.098 -5.133 -16.553 1.00 0.00 N ATOM 866 CA LEU A 53 12.989 -5.501 -17.466 1.00 0.00 C ATOM 867 C LEU A 53 13.560 -5.518 -18.922 1.00 0.00 C ATOM 868 O LEU A 53 13.504 -4.499 -19.621 1.00 0.00 O ATOM 869 CB LEU A 53 11.816 -4.493 -17.294 1.00 0.00 C ATOM 870 CG LEU A 53 11.203 -4.301 -15.876 1.00 0.00 C ATOM 871 CD1 LEU A 53 10.139 -3.189 -15.898 1.00 0.00 C ATOM 872 CD2 LEU A 53 10.623 -5.599 -15.281 1.00 0.00 C ATOM 0 H LEU A 53 14.191 -4.127 -16.414 1.00 0.00 H new ATOM 0 HA LEU A 53 12.588 -6.489 -17.238 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.163 -3.519 -17.640 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.013 -4.802 -17.963 1.00 0.00 H new ATOM 0 HG LEU A 53 12.022 -4.005 -15.221 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.720 -3.067 -14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.598 -2.253 -16.216 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.345 -3.459 -16.594 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.212 -5.394 -14.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.833 -5.976 -15.931 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.413 -6.346 -15.198 1.00 0.00 H new ATOM 884 N LYS A 54 14.155 -6.650 -19.361 1.00 0.00 N ATOM 885 CA LYS A 54 14.887 -6.737 -20.654 1.00 0.00 C ATOM 886 C LYS A 54 14.525 -8.069 -21.369 1.00 0.00 C ATOM 887 O LYS A 54 13.856 -8.033 -22.406 1.00 0.00 O ATOM 888 CB LYS A 54 16.412 -6.502 -20.419 1.00 0.00 C ATOM 889 CG LYS A 54 17.267 -6.239 -21.681 1.00 0.00 C ATOM 890 CD LYS A 54 17.432 -4.760 -22.112 1.00 0.00 C ATOM 891 CE LYS A 54 16.182 -3.995 -22.597 1.00 0.00 C ATOM 892 NZ LYS A 54 15.587 -4.558 -23.824 1.00 0.00 N ATOM 0 H LYS A 54 14.144 -7.525 -18.837 1.00 0.00 H new ATOM 0 HA LYS A 54 14.579 -5.946 -21.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.528 -5.654 -19.744 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.818 -7.374 -19.906 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.259 -6.658 -21.513 1.00 0.00 H new ATOM 0 HG3 LYS A 54 16.825 -6.789 -22.512 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.850 -4.212 -21.267 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.173 -4.727 -22.911 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.433 -3.999 -21.805 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.450 -2.954 -22.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.753 -3.998 -24.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.286 -4.531 -24.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.301 -5.543 -23.651 1.00 0.00 H new ATOM 906 N ILE A 55 14.929 -9.231 -20.809 1.00 0.00 N ATOM 907 CA ILE A 55 14.500 -10.580 -21.299 1.00 0.00 C ATOM 908 C ILE A 55 13.001 -10.831 -20.917 1.00 0.00 C ATOM 909 O ILE A 55 12.187 -11.056 -21.817 1.00 0.00 O ATOM 910 CB ILE A 55 15.518 -11.698 -20.870 1.00 0.00 C ATOM 911 CG1 ILE A 55 16.918 -11.462 -21.519 1.00 0.00 C ATOM 912 CG2 ILE A 55 15.019 -13.129 -21.212 1.00 0.00 C ATOM 913 CD1 ILE A 55 18.064 -12.299 -20.945 1.00 0.00 C ATOM 0 H ILE A 55 15.559 -9.271 -20.008 1.00 0.00 H new ATOM 0 HA ILE A 55 14.529 -10.617 -22.388 1.00 0.00 H new ATOM 0 HB ILE A 55 15.604 -11.628 -19.786 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.842 -11.667 -22.587 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.174 -10.408 -21.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.762 -13.860 -20.893 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.078 -13.319 -20.695 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.866 -13.213 -22.288 1.00 0.00 H new ATOM 0 HD11 ILE A 55 18.989 -12.056 -21.467 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.178 -12.080 -19.883 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.842 -13.358 -21.075 1.00 0.00 H new ATOM 925 N ASP A 56 12.644 -10.764 -19.615 1.00 0.00 N ATOM 926 CA ASP A 56 11.233 -10.845 -19.134 1.00 0.00 C ATOM 927 C ASP A 56 10.215 -9.832 -19.759 1.00 0.00 C ATOM 928 O ASP A 56 9.163 -10.274 -20.231 1.00 0.00 O ATOM 929 CB ASP A 56 11.187 -10.879 -17.579 1.00 0.00 C ATOM 930 CG ASP A 56 11.669 -9.625 -16.824 1.00 0.00 C ATOM 931 OD1 ASP A 56 12.890 -9.493 -16.587 1.00 0.00 O ATOM 932 OD2 ASP A 56 10.827 -8.768 -16.474 1.00 0.00 O ATOM 0 H ASP A 56 13.322 -10.652 -18.861 1.00 0.00 H new ATOM 0 HA ASP A 56 10.862 -11.794 -19.522 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.159 -11.078 -17.277 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.787 -11.725 -17.243 1.00 0.00 H new ATOM 937 N SER A 57 10.516 -8.514 -19.774 1.00 0.00 N ATOM 938 CA SER A 57 9.641 -7.491 -20.399 1.00 0.00 C ATOM 939 C SER A 57 10.549 -6.505 -21.166 1.00 0.00 C ATOM 940 O SER A 57 10.975 -6.848 -22.293 1.00 0.00 O ATOM 941 CB SER A 57 8.734 -6.848 -19.322 1.00 0.00 C ATOM 942 OG SER A 57 7.842 -5.907 -19.906 1.00 0.00 O ATOM 943 OXT SER A 57 10.842 -5.396 -20.667 1.00 0.00 O ATOM 0 H SER A 57 11.364 -8.130 -19.358 1.00 0.00 H new ATOM 0 HA SER A 57 8.949 -7.918 -21.125 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.166 -7.624 -18.809 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.349 -6.354 -18.570 1.00 0.00 H new ATOM 0 HG SER A 57 7.278 -5.514 -19.208 1.00 0.00 H new TER 949 SER A 57