USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 593 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 15 THR OG1 : rot -130:sc= 0.053 USER MOD Set 1.2: A 18 THR OG1 : rot 113:sc= 1.02 USER MOD Set 2.1: A 2 THR OG1 : rot 88:sc= 1.22 USER MOD Set 2.2: A 4 THR OG1 : rot -171:sc= 0.908 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 MET CE :methyl 133:sc= -0.223 (180deg=-1.28!) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0836 (180deg=-0.7) USER MOD Single : A 13 CYS SG : rot 115:sc= -0.783 USER MOD Single : A 14 THR OG1 : rot 80:sc= -0.493 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -7.94! C(o=-10!,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.145 (180deg=-0.786) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.443 K(o=-0.44,f=-2.9) USER MOD Single : A 50 THR OG1 : rot 73:sc= 0.754 USER MOD Single : A 51 MET CE :methyl -156:sc= -0.147 (180deg=-1.18) USER MOD Single : A 52 ASN : amide:sc= -2.47! C(o=-2.5!,f=-9.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 7:sc= 1.42 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc=0.000819 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 65 HIS : no HE2:sc= 0.0327 X(o=0.033,f=-0.25) USER MOD Single : A 67 LYS NZ :NH3+ 141:sc= -0.154 (180deg=-1.03) USER MOD Single : A 68 HIS : no HD1:sc=-0.00645 X(o=-0.0064,f=-0.44) USER MOD Single : A 69 HIS : no HE2:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.31! C(o=-4.7!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.528 -10.074 1.558 1.00 1.00 N ATOM 2 CA GLY A 1 72.721 -9.179 0.681 1.00 1.00 C ATOM 3 C GLY A 1 72.827 -7.742 1.184 1.00 1.00 C ATOM 4 O GLY A 1 71.816 -7.078 1.409 1.00 1.00 O ATOM 0 H1 GLY A 1 73.456 -11.053 1.215 1.00 1.00 H new ATOM 0 H2 GLY A 1 74.523 -9.773 1.539 1.00 1.00 H new ATOM 0 H3 GLY A 1 73.169 -10.021 2.533 1.00 1.00 H new ATOM 0 HA2 GLY A 1 73.077 -9.243 -0.347 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.679 -9.498 0.678 1.00 1.00 H new ATOM 10 N THR A 2 74.061 -7.269 1.358 1.00 1.00 N ATOM 11 CA THR A 2 74.292 -5.906 1.837 1.00 1.00 C ATOM 12 C THR A 2 74.064 -4.901 0.716 1.00 1.00 C ATOM 13 O THR A 2 74.039 -5.262 -0.459 1.00 1.00 O ATOM 14 CB THR A 2 75.721 -5.773 2.367 1.00 1.00 C ATOM 15 OG1 THR A 2 76.638 -6.123 1.340 1.00 1.00 O ATOM 16 CG2 THR A 2 75.912 -6.705 3.564 1.00 1.00 C ATOM 0 H THR A 2 74.910 -7.804 1.176 1.00 1.00 H new ATOM 0 HA THR A 2 73.588 -5.698 2.643 1.00 1.00 H new ATOM 0 HB THR A 2 75.900 -4.744 2.680 1.00 1.00 H new ATOM 0 HG1 THR A 2 76.846 -5.330 0.803 1.00 1.00 H new ATOM 0 HG21 THR A 2 76.930 -6.609 3.941 1.00 1.00 H new ATOM 0 HG22 THR A 2 75.207 -6.436 4.351 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.735 -7.735 3.255 1.00 1.00 H new ATOM 24 N LYS A 3 73.885 -3.635 1.094 1.00 1.00 N ATOM 25 CA LYS A 3 73.638 -2.554 0.129 1.00 1.00 C ATOM 26 C LYS A 3 74.841 -2.349 -0.809 1.00 1.00 C ATOM 27 O LYS A 3 74.692 -1.752 -1.872 1.00 1.00 O ATOM 28 CB LYS A 3 73.164 -1.257 0.812 1.00 1.00 C ATOM 29 CG LYS A 3 72.254 -0.443 -0.122 1.00 1.00 C ATOM 30 CD LYS A 3 71.902 0.933 0.504 1.00 1.00 C ATOM 31 CE LYS A 3 70.805 0.780 1.566 1.00 1.00 C ATOM 32 NZ LYS A 3 70.349 2.131 2.000 1.00 1.00 N ATOM 0 H LYS A 3 73.906 -3.328 2.066 1.00 1.00 H new ATOM 0 HA LYS A 3 72.808 -2.864 -0.505 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.626 -1.500 1.728 1.00 1.00 H new ATOM 0 HB3 LYS A 3 74.027 -0.656 1.099 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.751 -0.294 -1.081 1.00 1.00 H new ATOM 0 HG3 LYS A 3 71.339 -1.001 -0.321 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.792 1.372 0.954 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.568 1.618 -0.275 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.967 0.213 1.161 1.00 1.00 H new ATOM 0 HE3 LYS A 3 71.185 0.220 2.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 69.605 2.032 2.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.152 2.656 2.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 69.971 2.649 1.181 1.00 1.00 H new ATOM 46 N THR A 4 76.010 -2.881 -0.478 1.00 1.00 N ATOM 47 CA THR A 4 77.148 -2.764 -1.402 1.00 1.00 C ATOM 48 C THR A 4 76.716 -3.244 -2.808 1.00 1.00 C ATOM 49 O THR A 4 76.813 -2.503 -3.786 1.00 1.00 O ATOM 50 CB THR A 4 78.243 -3.698 -0.891 1.00 1.00 C ATOM 51 OG1 THR A 4 77.694 -4.989 -0.669 1.00 1.00 O ATOM 52 CG2 THR A 4 78.815 -3.151 0.418 1.00 1.00 C ATOM 0 H THR A 4 76.200 -3.382 0.390 1.00 1.00 H new ATOM 0 HA THR A 4 77.494 -1.732 -1.458 1.00 1.00 H new ATOM 0 HB THR A 4 79.040 -3.764 -1.631 1.00 1.00 H new ATOM 0 HG1 THR A 4 78.353 -5.550 -0.209 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.596 -3.819 0.781 1.00 1.00 H new ATOM 0 HG22 THR A 4 79.236 -2.160 0.245 1.00 1.00 H new ATOM 0 HG23 THR A 4 78.021 -3.083 1.162 1.00 1.00 H new ATOM 60 N ASP A 5 76.231 -4.478 -2.878 1.00 1.00 N ATOM 61 CA ASP A 5 75.757 -5.090 -4.133 1.00 1.00 C ATOM 62 C ASP A 5 74.728 -4.228 -4.865 1.00 1.00 C ATOM 63 O ASP A 5 74.757 -4.109 -6.088 1.00 1.00 O ATOM 64 CB ASP A 5 75.052 -6.396 -3.776 1.00 1.00 C ATOM 65 CG ASP A 5 75.998 -7.311 -3.006 1.00 1.00 C ATOM 66 OD1 ASP A 5 77.133 -7.450 -3.432 1.00 1.00 O ATOM 67 OD2 ASP A 5 75.574 -7.861 -2.003 1.00 1.00 O ATOM 0 H ASP A 5 76.151 -5.092 -2.068 1.00 1.00 H new ATOM 0 HA ASP A 5 76.625 -5.221 -4.780 1.00 1.00 H new ATOM 0 HB2 ASP A 5 74.167 -6.188 -3.175 1.00 1.00 H new ATOM 0 HB3 ASP A 5 74.711 -6.894 -4.684 1.00 1.00 H new ATOM 72 N TYR A 6 73.823 -3.644 -4.102 1.00 1.00 N ATOM 73 CA TYR A 6 72.765 -2.795 -4.645 1.00 1.00 C ATOM 74 C TYR A 6 73.329 -1.551 -5.318 1.00 1.00 C ATOM 75 O TYR A 6 73.135 -1.333 -6.504 1.00 1.00 O ATOM 76 CB TYR A 6 71.867 -2.328 -3.470 1.00 1.00 C ATOM 77 CG TYR A 6 70.975 -3.474 -2.975 1.00 1.00 C ATOM 78 CD1 TYR A 6 71.546 -4.597 -2.365 1.00 1.00 C ATOM 79 CD2 TYR A 6 69.577 -3.404 -3.116 1.00 1.00 C ATOM 80 CE1 TYR A 6 70.736 -5.641 -1.902 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.768 -4.448 -2.648 1.00 1.00 C ATOM 82 CZ TYR A 6 69.348 -5.565 -2.041 1.00 1.00 C ATOM 83 OH TYR A 6 68.552 -6.594 -1.580 1.00 1.00 O ATOM 0 H TYR A 6 73.796 -3.741 -3.087 1.00 1.00 H new ATOM 0 HA TYR A 6 72.210 -3.373 -5.384 1.00 1.00 H new ATOM 0 HB2 TYR A 6 72.490 -1.967 -2.652 1.00 1.00 H new ATOM 0 HB3 TYR A 6 71.247 -1.491 -3.791 1.00 1.00 H new ATOM 0 HD1 TYR A 6 72.618 -4.659 -2.251 1.00 1.00 H new ATOM 0 HD2 TYR A 6 69.126 -2.543 -3.586 1.00 1.00 H new ATOM 0 HE1 TYR A 6 71.185 -6.506 -1.437 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.695 -4.389 -2.757 1.00 1.00 H new ATOM 0 HH TYR A 6 67.621 -6.291 -1.532 1.00 1.00 H new ATOM 93 N LEU A 7 74.002 -0.733 -4.524 1.00 1.00 N ATOM 94 CA LEU A 7 74.563 0.521 -4.999 1.00 1.00 C ATOM 95 C LEU A 7 75.602 0.320 -6.084 1.00 1.00 C ATOM 96 O LEU A 7 75.683 1.123 -7.014 1.00 1.00 O ATOM 97 CB LEU A 7 75.218 1.262 -3.815 1.00 1.00 C ATOM 98 CG LEU A 7 74.135 1.816 -2.838 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.715 1.957 -1.422 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.644 3.199 -3.290 1.00 1.00 C ATOM 0 H LEU A 7 74.174 -0.919 -3.536 1.00 1.00 H new ATOM 0 HA LEU A 7 73.746 1.102 -5.426 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.884 0.585 -3.280 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.831 2.082 -4.188 1.00 1.00 H new ATOM 0 HG LEU A 7 73.304 1.111 -2.839 1.00 1.00 H new ATOM 0 HD11 LEU A 7 73.948 2.345 -0.752 1.00 1.00 H new ATOM 0 HD12 LEU A 7 75.049 0.982 -1.067 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.561 2.645 -1.442 1.00 1.00 H new ATOM 0 HD21 LEU A 7 72.890 3.563 -2.592 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.484 3.894 -3.312 1.00 1.00 H new ATOM 0 HD23 LEU A 7 73.210 3.123 -4.287 1.00 1.00 H new ATOM 112 N MET A 8 76.438 -0.722 -5.966 1.00 1.00 N ATOM 113 CA MET A 8 77.476 -0.893 -6.992 1.00 1.00 C ATOM 114 C MET A 8 76.776 -1.328 -8.277 1.00 1.00 C ATOM 115 O MET A 8 76.900 -0.681 -9.317 1.00 1.00 O ATOM 116 CB MET A 8 78.534 -1.912 -6.550 1.00 1.00 C ATOM 117 CG MET A 8 79.402 -1.327 -5.413 1.00 1.00 C ATOM 118 SD MET A 8 80.879 -2.357 -5.181 1.00 1.00 S ATOM 119 CE MET A 8 81.712 -2.001 -6.753 1.00 1.00 C ATOM 0 H MET A 8 76.423 -1.419 -5.221 1.00 1.00 H new ATOM 0 HA MET A 8 78.010 0.043 -7.155 1.00 1.00 H new ATOM 0 HB2 MET A 8 78.048 -2.827 -6.211 1.00 1.00 H new ATOM 0 HB3 MET A 8 79.165 -2.181 -7.397 1.00 1.00 H new ATOM 0 HG2 MET A 8 79.694 -0.305 -5.654 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.827 -1.285 -4.488 1.00 1.00 H new ATOM 0 HE1 MET A 8 82.761 -1.772 -6.565 1.00 1.00 H new ATOM 0 HE2 MET A 8 81.641 -2.870 -7.407 1.00 1.00 H new ATOM 0 HE3 MET A 8 81.235 -1.146 -7.232 1.00 1.00 H new ATOM 129 N ARG A 9 76.088 -2.464 -8.202 1.00 1.00 N ATOM 130 CA ARG A 9 75.421 -3.031 -9.367 1.00 1.00 C ATOM 131 C ARG A 9 74.506 -1.999 -10.031 1.00 1.00 C ATOM 132 O ARG A 9 74.549 -1.820 -11.248 1.00 1.00 O ATOM 133 CB ARG A 9 74.593 -4.227 -8.882 1.00 1.00 C ATOM 134 CG ARG A 9 73.997 -5.018 -10.058 1.00 1.00 C ATOM 135 CD ARG A 9 72.901 -5.967 -9.542 1.00 1.00 C ATOM 136 NE ARG A 9 72.514 -6.908 -10.587 1.00 1.00 N ATOM 137 CZ ARG A 9 73.323 -7.895 -10.961 1.00 1.00 C ATOM 138 NH1 ARG A 9 74.492 -8.032 -10.396 1.00 1.00 N ATOM 139 NH2 ARG A 9 72.945 -8.726 -11.894 1.00 1.00 N ATOM 0 H ARG A 9 75.979 -3.009 -7.347 1.00 1.00 H new ATOM 0 HA ARG A 9 76.159 -3.339 -10.107 1.00 1.00 H new ATOM 0 HB2 ARG A 9 75.221 -4.885 -8.281 1.00 1.00 H new ATOM 0 HB3 ARG A 9 73.789 -3.875 -8.235 1.00 1.00 H new ATOM 0 HG2 ARG A 9 73.580 -4.333 -10.796 1.00 1.00 H new ATOM 0 HG3 ARG A 9 74.779 -5.588 -10.559 1.00 1.00 H new ATOM 0 HD2 ARG A 9 73.262 -6.511 -8.669 1.00 1.00 H new ATOM 0 HD3 ARG A 9 72.033 -5.391 -9.222 1.00 1.00 H new ATOM 0 HE ARG A 9 71.605 -6.807 -11.040 1.00 1.00 H new ATOM 0 HH11 ARG A 9 74.785 -7.382 -9.667 1.00 1.00 H new ATOM 0 HH12 ARG A 9 75.112 -8.789 -10.684 1.00 1.00 H new ATOM 0 HH21 ARG A 9 72.031 -8.617 -12.334 1.00 1.00 H new ATOM 0 HH22 ARG A 9 73.563 -9.484 -12.183 1.00 1.00 H new ATOM 153 N LEU A 10 73.665 -1.349 -9.245 1.00 1.00 N ATOM 154 CA LEU A 10 72.728 -0.370 -9.790 1.00 1.00 C ATOM 155 C LEU A 10 73.412 0.793 -10.505 1.00 1.00 C ATOM 156 O LEU A 10 72.778 1.417 -11.356 1.00 1.00 O ATOM 157 CB LEU A 10 71.869 0.241 -8.642 1.00 1.00 C ATOM 158 CG LEU A 10 70.800 -0.765 -8.159 1.00 1.00 C ATOM 159 CD1 LEU A 10 70.152 -0.207 -6.874 1.00 1.00 C ATOM 160 CD2 LEU A 10 69.711 -0.993 -9.259 1.00 1.00 C ATOM 0 H LEU A 10 73.608 -1.477 -8.235 1.00 1.00 H new ATOM 0 HA LEU A 10 72.121 -0.915 -10.513 1.00 1.00 H new ATOM 0 HB2 LEU A 10 72.514 0.521 -7.809 1.00 1.00 H new ATOM 0 HB3 LEU A 10 71.385 1.153 -8.990 1.00 1.00 H new ATOM 0 HG LEU A 10 71.271 -1.727 -7.956 1.00 1.00 H new ATOM 0 HD11 LEU A 10 69.394 -0.904 -6.517 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.916 -0.078 -6.107 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.688 0.756 -7.089 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.970 -1.705 -8.895 1.00 1.00 H new ATOM 0 HD22 LEU A 10 69.222 -0.046 -9.489 1.00 1.00 H new ATOM 0 HD23 LEU A 10 70.181 -1.387 -10.160 1.00 1.00 H new ATOM 172 N ARG A 11 74.648 1.177 -10.148 1.00 1.00 N ATOM 173 CA ARG A 11 75.279 2.351 -10.759 1.00 1.00 C ATOM 174 C ARG A 11 75.867 2.151 -12.159 1.00 1.00 C ATOM 175 O ARG A 11 76.266 3.138 -12.775 1.00 1.00 O ATOM 176 CB ARG A 11 76.390 2.813 -9.791 1.00 1.00 C ATOM 177 CG ARG A 11 76.956 4.256 -10.135 1.00 1.00 C ATOM 178 CD ARG A 11 76.790 5.219 -8.904 1.00 1.00 C ATOM 179 NE ARG A 11 77.347 4.587 -7.710 1.00 1.00 N ATOM 180 CZ ARG A 11 78.650 4.340 -7.586 1.00 1.00 C ATOM 181 NH1 ARG A 11 79.485 4.692 -8.525 1.00 1.00 N ATOM 182 NH2 ARG A 11 79.095 3.749 -6.513 1.00 1.00 N ATOM 0 H ARG A 11 75.220 0.699 -9.451 1.00 1.00 H new ATOM 0 HA ARG A 11 74.492 3.090 -10.910 1.00 1.00 H new ATOM 0 HB2 ARG A 11 75.999 2.816 -8.774 1.00 1.00 H new ATOM 0 HB3 ARG A 11 77.208 2.093 -9.816 1.00 1.00 H new ATOM 0 HG2 ARG A 11 78.009 4.185 -10.409 1.00 1.00 H new ATOM 0 HG3 ARG A 11 76.429 4.664 -10.997 1.00 1.00 H new ATOM 0 HD2 ARG A 11 77.297 6.164 -9.098 1.00 1.00 H new ATOM 0 HD3 ARG A 11 75.736 5.449 -8.748 1.00 1.00 H new ATOM 0 HE ARG A 11 76.719 4.327 -6.949 1.00 1.00 H new ATOM 0 HH11 ARG A 11 79.142 5.161 -9.363 1.00 1.00 H new ATOM 0 HH12 ARG A 11 80.481 4.498 -8.421 1.00 1.00 H new ATOM 0 HH21 ARG A 11 78.446 3.478 -5.774 1.00 1.00 H new ATOM 0 HH22 ARG A 11 80.092 3.557 -6.413 1.00 1.00 H new ATOM 196 N LYS A 12 75.953 0.906 -12.684 1.00 1.00 N ATOM 197 CA LYS A 12 76.556 0.695 -14.040 1.00 1.00 C ATOM 198 C LYS A 12 75.485 0.629 -15.130 1.00 1.00 C ATOM 199 O LYS A 12 75.830 0.501 -16.300 1.00 1.00 O ATOM 200 CB LYS A 12 77.475 -0.552 -14.064 1.00 1.00 C ATOM 201 CG LYS A 12 78.873 -0.205 -13.501 1.00 1.00 C ATOM 202 CD LYS A 12 78.754 0.253 -12.038 1.00 1.00 C ATOM 203 CE LYS A 12 80.145 0.266 -11.368 1.00 1.00 C ATOM 204 NZ LYS A 12 81.172 0.677 -12.367 1.00 1.00 N ATOM 0 H LYS A 12 75.630 0.058 -12.219 1.00 1.00 H new ATOM 0 HA LYS A 12 77.180 1.562 -14.256 1.00 1.00 H new ATOM 0 HB2 LYS A 12 77.027 -1.352 -13.475 1.00 1.00 H new ATOM 0 HB3 LYS A 12 77.569 -0.922 -15.085 1.00 1.00 H new ATOM 0 HG2 LYS A 12 79.526 -1.075 -13.566 1.00 1.00 H new ATOM 0 HG3 LYS A 12 79.330 0.582 -14.101 1.00 1.00 H new ATOM 0 HD2 LYS A 12 78.313 1.249 -11.996 1.00 1.00 H new ATOM 0 HD3 LYS A 12 78.086 -0.415 -11.494 1.00 1.00 H new ATOM 0 HE2 LYS A 12 80.147 0.955 -10.523 1.00 1.00 H new ATOM 0 HE3 LYS A 12 80.380 -0.723 -10.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 82.035 0.980 -11.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 81.393 -0.127 -12.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 80.805 1.465 -12.938 1.00 1.00 H new ATOM 218 N CYS A 13 74.195 0.719 -14.784 1.00 1.00 N ATOM 219 CA CYS A 13 73.146 0.682 -15.824 1.00 1.00 C ATOM 220 C CYS A 13 73.523 1.613 -16.990 1.00 1.00 C ATOM 221 O CYS A 13 73.287 1.307 -18.160 1.00 1.00 O ATOM 222 CB CYS A 13 71.806 1.122 -15.230 1.00 1.00 C ATOM 223 SG CYS A 13 71.902 2.865 -14.753 1.00 1.00 S ATOM 0 H CYS A 13 73.854 0.815 -13.827 1.00 1.00 H new ATOM 0 HA CYS A 13 73.058 -0.339 -16.196 1.00 1.00 H new ATOM 0 HB2 CYS A 13 71.008 0.976 -15.958 1.00 1.00 H new ATOM 0 HB3 CYS A 13 71.562 0.509 -14.362 1.00 1.00 H new ATOM 0 HG CYS A 13 71.092 3.563 -15.492 1.00 1.00 H new ATOM 229 N THR A 14 74.154 2.728 -16.632 1.00 1.00 N ATOM 230 CA THR A 14 74.640 3.718 -17.598 1.00 1.00 C ATOM 231 C THR A 14 73.520 4.524 -18.267 1.00 1.00 C ATOM 232 O THR A 14 73.802 5.535 -18.909 1.00 1.00 O ATOM 233 CB THR A 14 75.505 3.025 -18.675 1.00 1.00 C ATOM 234 OG1 THR A 14 76.285 2.008 -18.071 1.00 1.00 O ATOM 235 CG2 THR A 14 76.448 4.033 -19.344 1.00 1.00 C ATOM 0 H THR A 14 74.345 2.974 -15.661 1.00 1.00 H new ATOM 0 HA THR A 14 75.239 4.432 -17.032 1.00 1.00 H new ATOM 0 HB THR A 14 74.841 2.600 -19.428 1.00 1.00 H new ATOM 0 HG1 THR A 14 75.735 1.208 -17.940 1.00 1.00 H new ATOM 0 HG21 THR A 14 77.048 3.525 -20.099 1.00 1.00 H new ATOM 0 HG22 THR A 14 75.862 4.821 -19.817 1.00 1.00 H new ATOM 0 HG23 THR A 14 77.105 4.471 -18.593 1.00 1.00 H new ATOM 243 N THR A 15 72.250 4.110 -18.124 1.00 1.00 N ATOM 244 CA THR A 15 71.134 4.862 -18.742 1.00 1.00 C ATOM 245 C THR A 15 69.933 4.910 -17.798 1.00 1.00 C ATOM 246 O THR A 15 69.563 3.915 -17.175 1.00 1.00 O ATOM 247 CB THR A 15 70.743 4.187 -20.079 1.00 1.00 C ATOM 248 OG1 THR A 15 70.813 2.782 -19.915 1.00 1.00 O ATOM 249 CG2 THR A 15 71.717 4.600 -21.199 1.00 1.00 C ATOM 0 H THR A 15 71.970 3.281 -17.601 1.00 1.00 H new ATOM 0 HA THR A 15 71.454 5.886 -18.934 1.00 1.00 H new ATOM 0 HB THR A 15 69.734 4.498 -20.352 1.00 1.00 H new ATOM 0 HG1 THR A 15 71.337 2.393 -20.646 1.00 1.00 H new ATOM 0 HG21 THR A 15 71.426 4.116 -22.131 1.00 1.00 H new ATOM 0 HG22 THR A 15 71.686 5.682 -21.327 1.00 1.00 H new ATOM 0 HG23 THR A 15 72.729 4.295 -20.932 1.00 1.00 H new ATOM 257 N ILE A 16 69.372 6.103 -17.677 1.00 1.00 N ATOM 258 CA ILE A 16 68.252 6.277 -16.761 1.00 1.00 C ATOM 259 C ILE A 16 67.101 5.350 -17.187 1.00 1.00 C ATOM 260 O ILE A 16 66.609 4.551 -16.391 1.00 1.00 O ATOM 261 CB ILE A 16 67.783 7.744 -16.719 1.00 1.00 C ATOM 262 CG1 ILE A 16 68.896 8.632 -16.133 1.00 1.00 C ATOM 263 CG2 ILE A 16 66.528 7.858 -15.841 1.00 1.00 C ATOM 264 CD1 ILE A 16 68.552 10.109 -16.363 1.00 1.00 C ATOM 0 H ILE A 16 69.660 6.941 -18.182 1.00 1.00 H new ATOM 0 HA ILE A 16 68.578 6.013 -15.755 1.00 1.00 H new ATOM 0 HB ILE A 16 67.553 8.074 -17.732 1.00 1.00 H new ATOM 0 HG12 ILE A 16 69.007 8.436 -15.067 1.00 1.00 H new ATOM 0 HG13 ILE A 16 69.850 8.393 -16.602 1.00 1.00 H new ATOM 0 HG21 ILE A 16 66.197 8.896 -15.812 1.00 1.00 H new ATOM 0 HG22 ILE A 16 65.735 7.236 -16.257 1.00 1.00 H new ATOM 0 HG23 ILE A 16 66.760 7.523 -14.830 1.00 1.00 H new ATOM 0 HD11 ILE A 16 69.341 10.735 -15.947 1.00 1.00 H new ATOM 0 HD12 ILE A 16 68.463 10.300 -17.433 1.00 1.00 H new ATOM 0 HD13 ILE A 16 67.607 10.343 -15.873 1.00 1.00 H new ATOM 276 N ASP A 17 66.648 5.502 -18.432 1.00 1.00 N ATOM 277 CA ASP A 17 65.518 4.723 -18.957 1.00 1.00 C ATOM 278 C ASP A 17 65.731 3.207 -18.833 1.00 1.00 C ATOM 279 O ASP A 17 64.783 2.429 -18.836 1.00 1.00 O ATOM 280 CB ASP A 17 65.251 5.093 -20.420 1.00 1.00 C ATOM 281 CG ASP A 17 66.426 4.661 -21.293 1.00 1.00 C ATOM 282 OD1 ASP A 17 67.368 4.103 -20.754 1.00 1.00 O ATOM 283 OD2 ASP A 17 66.366 4.894 -22.489 1.00 1.00 O ATOM 0 H ASP A 17 67.047 6.160 -19.101 1.00 1.00 H new ATOM 0 HA ASP A 17 64.652 4.978 -18.347 1.00 1.00 H new ATOM 0 HB2 ASP A 17 64.336 4.611 -20.764 1.00 1.00 H new ATOM 0 HB3 ASP A 17 65.098 6.168 -20.509 1.00 1.00 H new ATOM 288 N THR A 18 66.998 2.816 -18.692 1.00 1.00 N ATOM 289 CA THR A 18 67.328 1.383 -18.518 1.00 1.00 C ATOM 290 C THR A 18 66.944 0.977 -17.095 1.00 1.00 C ATOM 291 O THR A 18 66.350 -0.076 -16.874 1.00 1.00 O ATOM 292 CB THR A 18 68.799 1.084 -18.826 1.00 1.00 C ATOM 293 OG1 THR A 18 69.019 1.250 -20.219 1.00 1.00 O ATOM 294 CG2 THR A 18 69.140 -0.358 -18.433 1.00 1.00 C ATOM 0 H THR A 18 67.801 3.445 -18.693 1.00 1.00 H new ATOM 0 HA THR A 18 66.760 0.790 -19.234 1.00 1.00 H new ATOM 0 HB THR A 18 69.431 1.766 -18.258 1.00 1.00 H new ATOM 0 HG1 THR A 18 69.605 2.022 -20.368 1.00 1.00 H new ATOM 0 HG21 THR A 18 70.188 -0.558 -18.657 1.00 1.00 H new ATOM 0 HG22 THR A 18 68.964 -0.496 -17.366 1.00 1.00 H new ATOM 0 HG23 THR A 18 68.511 -1.047 -18.996 1.00 1.00 H new ATOM 302 N LEU A 19 67.332 1.807 -16.135 1.00 1.00 N ATOM 303 CA LEU A 19 67.075 1.532 -14.716 1.00 1.00 C ATOM 304 C LEU A 19 65.638 1.017 -14.520 1.00 1.00 C ATOM 305 O LEU A 19 65.384 0.143 -13.708 1.00 1.00 O ATOM 306 CB LEU A 19 67.280 2.829 -13.912 1.00 1.00 C ATOM 307 CG LEU A 19 67.280 2.538 -12.379 1.00 1.00 C ATOM 308 CD1 LEU A 19 68.678 2.102 -11.906 1.00 1.00 C ATOM 309 CD2 LEU A 19 66.880 3.799 -11.589 1.00 1.00 C ATOM 0 H LEU A 19 67.828 2.681 -16.308 1.00 1.00 H new ATOM 0 HA LEU A 19 67.766 0.765 -14.366 1.00 1.00 H new ATOM 0 HB2 LEU A 19 68.223 3.294 -14.198 1.00 1.00 H new ATOM 0 HB3 LEU A 19 66.489 3.539 -14.152 1.00 1.00 H new ATOM 0 HG LEU A 19 66.561 1.739 -12.199 1.00 1.00 H new ATOM 0 HD11 LEU A 19 68.654 1.904 -10.834 1.00 1.00 H new ATOM 0 HD12 LEU A 19 68.975 1.197 -12.435 1.00 1.00 H new ATOM 0 HD13 LEU A 19 69.396 2.896 -12.113 1.00 1.00 H new ATOM 0 HD21 LEU A 19 66.886 3.577 -10.522 1.00 1.00 H new ATOM 0 HD22 LEU A 19 67.590 4.599 -11.797 1.00 1.00 H new ATOM 0 HD23 LEU A 19 65.881 4.114 -11.889 1.00 1.00 H new ATOM 321 N GLU A 20 64.747 1.488 -15.367 1.00 1.00 N ATOM 322 CA GLU A 20 63.367 0.999 -15.370 1.00 1.00 C ATOM 323 C GLU A 20 63.379 -0.483 -15.753 1.00 1.00 C ATOM 324 O GLU A 20 62.765 -1.315 -15.086 1.00 1.00 O ATOM 325 CB GLU A 20 62.558 1.787 -16.398 1.00 1.00 C ATOM 326 CG GLU A 20 62.396 3.246 -15.932 1.00 1.00 C ATOM 327 CD GLU A 20 61.362 3.333 -14.812 1.00 1.00 C ATOM 328 OE1 GLU A 20 60.272 2.816 -14.997 1.00 1.00 O ATOM 329 OE2 GLU A 20 61.675 3.916 -13.788 1.00 1.00 O ATOM 0 H GLU A 20 64.944 2.207 -16.064 1.00 1.00 H new ATOM 0 HA GLU A 20 62.917 1.125 -14.385 1.00 1.00 H new ATOM 0 HB2 GLU A 20 63.058 1.759 -17.366 1.00 1.00 H new ATOM 0 HB3 GLU A 20 61.578 1.328 -16.532 1.00 1.00 H new ATOM 0 HG2 GLU A 20 63.354 3.632 -15.583 1.00 1.00 H new ATOM 0 HG3 GLU A 20 62.087 3.871 -16.770 1.00 1.00 H new ATOM 336 N ARG A 21 64.012 -0.782 -16.872 1.00 1.00 N ATOM 337 CA ARG A 21 64.005 -2.160 -17.371 1.00 1.00 C ATOM 338 C ARG A 21 64.419 -3.142 -16.260 1.00 1.00 C ATOM 339 O ARG A 21 63.729 -4.136 -16.033 1.00 1.00 O ATOM 340 CB ARG A 21 64.953 -2.311 -18.568 1.00 1.00 C ATOM 341 CG ARG A 21 64.740 -3.695 -19.207 1.00 1.00 C ATOM 342 CD ARG A 21 65.601 -3.859 -20.470 1.00 1.00 C ATOM 343 NE ARG A 21 65.442 -5.208 -21.006 1.00 1.00 N ATOM 344 CZ ARG A 21 66.173 -5.634 -22.033 1.00 1.00 C ATOM 345 NH1 ARG A 21 67.052 -4.842 -22.582 1.00 1.00 N ATOM 346 NH2 ARG A 21 66.011 -6.845 -22.491 1.00 1.00 N ATOM 0 H ARG A 21 64.527 -0.115 -17.446 1.00 1.00 H new ATOM 0 HA ARG A 21 62.990 -2.392 -17.692 1.00 1.00 H new ATOM 0 HB2 ARG A 21 64.763 -1.526 -19.300 1.00 1.00 H new ATOM 0 HB3 ARG A 21 65.988 -2.201 -18.244 1.00 1.00 H new ATOM 0 HG2 ARG A 21 64.992 -4.474 -18.487 1.00 1.00 H new ATOM 0 HG3 ARG A 21 63.688 -3.824 -19.461 1.00 1.00 H new ATOM 0 HD2 ARG A 21 65.308 -3.123 -21.219 1.00 1.00 H new ATOM 0 HD3 ARG A 21 66.649 -3.673 -20.234 1.00 1.00 H new ATOM 0 HE ARG A 21 64.757 -5.836 -20.585 1.00 1.00 H new ATOM 0 HH11 ARG A 21 67.179 -3.895 -22.224 1.00 1.00 H new ATOM 0 HH12 ARG A 21 67.612 -5.169 -23.369 1.00 1.00 H new ATOM 0 HH21 ARG A 21 65.324 -7.465 -22.062 1.00 1.00 H new ATOM 0 HH22 ARG A 21 66.571 -7.172 -23.278 1.00 1.00 H new ATOM 360 N VAL A 22 65.527 -2.881 -15.568 1.00 1.00 N ATOM 361 CA VAL A 22 65.973 -3.780 -14.494 1.00 1.00 C ATOM 362 C VAL A 22 64.966 -3.788 -13.318 1.00 1.00 C ATOM 363 O VAL A 22 64.595 -4.843 -12.810 1.00 1.00 O ATOM 364 CB VAL A 22 67.370 -3.311 -14.028 1.00 1.00 C ATOM 365 CG1 VAL A 22 67.786 -4.026 -12.730 1.00 1.00 C ATOM 366 CG2 VAL A 22 68.400 -3.603 -15.134 1.00 1.00 C ATOM 0 H VAL A 22 66.126 -2.070 -15.724 1.00 1.00 H new ATOM 0 HA VAL A 22 66.029 -4.803 -14.866 1.00 1.00 H new ATOM 0 HB VAL A 22 67.330 -2.240 -13.830 1.00 1.00 H new ATOM 0 HG11 VAL A 22 68.772 -3.678 -12.423 1.00 1.00 H new ATOM 0 HG12 VAL A 22 67.063 -3.805 -11.945 1.00 1.00 H new ATOM 0 HG13 VAL A 22 67.818 -5.102 -12.901 1.00 1.00 H new ATOM 0 HG21 VAL A 22 69.387 -3.273 -14.809 1.00 1.00 H new ATOM 0 HG22 VAL A 22 68.423 -4.674 -15.336 1.00 1.00 H new ATOM 0 HG23 VAL A 22 68.120 -3.069 -16.042 1.00 1.00 H new ATOM 376 N ILE A 23 64.616 -2.600 -12.843 1.00 1.00 N ATOM 377 CA ILE A 23 63.740 -2.494 -11.652 1.00 1.00 C ATOM 378 C ILE A 23 62.542 -3.470 -11.774 1.00 1.00 C ATOM 379 O ILE A 23 62.261 -4.210 -10.832 1.00 1.00 O ATOM 380 CB ILE A 23 63.262 -1.032 -11.436 1.00 1.00 C ATOM 381 CG1 ILE A 23 64.443 -0.161 -10.927 1.00 1.00 C ATOM 382 CG2 ILE A 23 62.133 -0.982 -10.383 1.00 1.00 C ATOM 383 CD1 ILE A 23 64.127 1.325 -11.141 1.00 1.00 C ATOM 0 H ILE A 23 64.909 -1.708 -13.242 1.00 1.00 H new ATOM 0 HA ILE A 23 64.319 -2.778 -10.773 1.00 1.00 H new ATOM 0 HB ILE A 23 62.893 -0.651 -12.388 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.620 -0.355 -9.869 1.00 1.00 H new ATOM 0 HG13 ILE A 23 65.357 -0.427 -11.457 1.00 1.00 H new ATOM 0 HG21 ILE A 23 61.810 0.050 -10.244 1.00 1.00 H new ATOM 0 HG22 ILE A 23 61.290 -1.583 -10.724 1.00 1.00 H new ATOM 0 HG23 ILE A 23 62.501 -1.378 -9.436 1.00 1.00 H new ATOM 0 HD11 ILE A 23 64.960 1.929 -10.782 1.00 1.00 H new ATOM 0 HD12 ILE A 23 63.973 1.515 -12.203 1.00 1.00 H new ATOM 0 HD13 ILE A 23 63.224 1.588 -10.590 1.00 1.00 H new ATOM 395 N GLU A 24 61.861 -3.499 -12.913 1.00 1.00 N ATOM 396 CA GLU A 24 60.732 -4.427 -13.094 1.00 1.00 C ATOM 397 C GLU A 24 61.186 -5.890 -12.883 1.00 1.00 C ATOM 398 O GLU A 24 60.414 -6.750 -12.458 1.00 1.00 O ATOM 399 CB GLU A 24 60.129 -4.248 -14.495 1.00 1.00 C ATOM 400 CG GLU A 24 59.042 -5.301 -14.741 1.00 1.00 C ATOM 401 CD GLU A 24 58.230 -4.941 -15.982 1.00 1.00 C ATOM 402 OE1 GLU A 24 58.758 -4.240 -16.830 1.00 1.00 O ATOM 403 OE2 GLU A 24 57.091 -5.371 -16.066 1.00 1.00 O ATOM 0 H GLU A 24 62.059 -2.905 -13.718 1.00 1.00 H new ATOM 0 HA GLU A 24 59.970 -4.199 -12.349 1.00 1.00 H new ATOM 0 HB2 GLU A 24 59.706 -3.248 -14.592 1.00 1.00 H new ATOM 0 HB3 GLU A 24 60.910 -4.338 -15.250 1.00 1.00 H new ATOM 0 HG2 GLU A 24 59.499 -6.283 -14.868 1.00 1.00 H new ATOM 0 HG3 GLU A 24 58.385 -5.365 -13.874 1.00 1.00 H new ATOM 410 N LYS A 25 62.459 -6.119 -13.172 1.00 1.00 N ATOM 411 CA LYS A 25 63.024 -7.473 -12.986 1.00 1.00 C ATOM 412 C LYS A 25 63.087 -7.768 -11.471 1.00 1.00 C ATOM 413 O LYS A 25 62.512 -8.749 -11.002 1.00 1.00 O ATOM 414 CB LYS A 25 64.416 -7.629 -13.674 1.00 1.00 C ATOM 415 CG LYS A 25 64.775 -9.135 -13.772 1.00 1.00 C ATOM 416 CD LYS A 25 66.121 -9.354 -14.516 1.00 1.00 C ATOM 417 CE LYS A 25 66.086 -8.729 -15.928 1.00 1.00 C ATOM 418 NZ LYS A 25 67.052 -9.447 -16.807 1.00 1.00 N ATOM 0 H LYS A 25 63.112 -5.419 -13.525 1.00 1.00 H new ATOM 0 HA LYS A 25 62.379 -8.205 -13.471 1.00 1.00 H new ATOM 0 HB2 LYS A 25 64.395 -7.183 -14.668 1.00 1.00 H new ATOM 0 HB3 LYS A 25 65.178 -7.098 -13.103 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.839 -9.561 -12.771 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.979 -9.666 -14.294 1.00 1.00 H new ATOM 0 HD2 LYS A 25 66.934 -8.912 -13.940 1.00 1.00 H new ATOM 0 HD3 LYS A 25 66.328 -10.421 -14.593 1.00 1.00 H new ATOM 0 HE2 LYS A 25 65.080 -8.795 -16.343 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.341 -7.670 -15.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.032 -9.029 -17.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.010 -9.362 -16.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.789 -10.452 -16.864 1.00 1.00 H new ATOM 432 N ASN A 26 63.771 -6.906 -10.723 1.00 1.00 N ATOM 433 CA ASN A 26 63.916 -7.033 -9.271 1.00 1.00 C ATOM 434 C ASN A 26 62.580 -7.178 -8.567 1.00 1.00 C ATOM 435 O ASN A 26 62.489 -7.650 -7.438 1.00 1.00 O ATOM 436 CB ASN A 26 64.575 -5.752 -8.771 1.00 1.00 C ATOM 437 CG ASN A 26 65.965 -5.653 -9.377 1.00 1.00 C ATOM 438 OD1 ASN A 26 66.096 -5.236 -10.602 1.00 1.00 O flip ATOM 439 ND2 ASN A 26 66.951 -5.997 -8.725 1.00 1.00 N flip ATOM 0 H ASN A 26 64.246 -6.090 -11.110 1.00 1.00 H new ATOM 0 HA ASN A 26 64.504 -7.926 -9.057 1.00 1.00 H new ATOM 0 HB2 ASN A 26 63.977 -4.885 -9.052 1.00 1.00 H new ATOM 0 HB3 ASN A 26 64.636 -5.758 -7.683 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.839 -6.323 -7.765 1.00 1.00 H new ATOM 0 HD22 ASN A 26 67.880 -5.956 -9.145 1.00 1.00 H new ATOM 446 N LYS A 27 61.579 -6.636 -9.215 1.00 1.00 N ATOM 447 CA LYS A 27 60.261 -6.556 -8.614 1.00 1.00 C ATOM 448 C LYS A 27 59.812 -7.885 -7.993 1.00 1.00 C ATOM 449 O LYS A 27 59.392 -7.879 -6.836 1.00 1.00 O ATOM 450 CB LYS A 27 59.253 -6.101 -9.668 1.00 1.00 C ATOM 451 CG LYS A 27 57.872 -5.837 -9.017 1.00 1.00 C ATOM 452 CD LYS A 27 56.996 -5.061 -10.006 1.00 1.00 C ATOM 453 CE LYS A 27 55.601 -4.850 -9.410 1.00 1.00 C ATOM 454 NZ LYS A 27 55.724 -4.367 -8.004 1.00 1.00 N ATOM 0 H LYS A 27 61.646 -6.244 -10.154 1.00 1.00 H new ATOM 0 HA LYS A 27 60.312 -5.831 -7.801 1.00 1.00 H new ATOM 0 HB2 LYS A 27 59.611 -5.194 -10.156 1.00 1.00 H new ATOM 0 HB3 LYS A 27 59.158 -6.863 -10.442 1.00 1.00 H new ATOM 0 HG2 LYS A 27 57.395 -6.780 -8.751 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.993 -5.269 -8.095 1.00 1.00 H new ATOM 0 HD2 LYS A 27 57.454 -4.098 -10.233 1.00 1.00 H new ATOM 0 HD3 LYS A 27 56.921 -5.608 -10.946 1.00 1.00 H new ATOM 0 HE2 LYS A 27 55.046 -4.126 -10.006 1.00 1.00 H new ATOM 0 HE3 LYS A 27 55.038 -5.783 -9.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.855 -3.865 -7.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.868 -5.178 -7.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 56.535 -3.721 -7.929 1.00 1.00 H new ATOM 468 N TYR A 28 59.851 -9.029 -8.704 1.00 1.00 N ATOM 469 CA TYR A 28 59.387 -10.300 -8.106 1.00 1.00 C ATOM 470 C TYR A 28 60.537 -11.131 -7.512 1.00 1.00 C ATOM 471 O TYR A 28 60.325 -11.874 -6.552 1.00 1.00 O ATOM 472 CB TYR A 28 58.698 -11.135 -9.209 1.00 1.00 C ATOM 473 CG TYR A 28 57.355 -10.532 -9.563 1.00 1.00 C ATOM 474 CD1 TYR A 28 56.205 -10.940 -8.877 1.00 1.00 C ATOM 475 CD2 TYR A 28 57.261 -9.573 -10.579 1.00 1.00 C ATOM 476 CE1 TYR A 28 54.961 -10.390 -9.206 1.00 1.00 C ATOM 477 CE2 TYR A 28 56.016 -9.023 -10.908 1.00 1.00 C ATOM 478 CZ TYR A 28 54.866 -9.431 -10.221 1.00 1.00 C ATOM 479 OH TYR A 28 53.639 -8.890 -10.546 1.00 1.00 O ATOM 0 H TYR A 28 60.188 -9.102 -9.664 1.00 1.00 H new ATOM 0 HA TYR A 28 58.703 -10.054 -7.293 1.00 1.00 H new ATOM 0 HB2 TYR A 28 59.332 -11.173 -10.095 1.00 1.00 H new ATOM 0 HB3 TYR A 28 58.565 -12.162 -8.868 1.00 1.00 H new ATOM 0 HD1 TYR A 28 56.278 -11.680 -8.093 1.00 1.00 H new ATOM 0 HD2 TYR A 28 58.148 -9.258 -11.108 1.00 1.00 H new ATOM 0 HE1 TYR A 28 54.074 -10.706 -8.677 1.00 1.00 H new ATOM 0 HE2 TYR A 28 55.943 -8.284 -11.692 1.00 1.00 H new ATOM 0 HH TYR A 28 53.750 -8.239 -11.270 1.00 1.00 H new ATOM 489 N GLU A 29 61.740 -11.050 -8.096 1.00 1.00 N ATOM 490 CA GLU A 29 62.871 -11.861 -7.603 1.00 1.00 C ATOM 491 C GLU A 29 63.449 -11.305 -6.303 1.00 1.00 C ATOM 492 O GLU A 29 64.281 -11.952 -5.666 1.00 1.00 O ATOM 493 CB GLU A 29 63.962 -12.007 -8.678 1.00 1.00 C ATOM 494 CG GLU A 29 64.579 -10.654 -9.033 1.00 1.00 C ATOM 495 CD GLU A 29 65.736 -10.859 -10.004 1.00 1.00 C ATOM 496 OE1 GLU A 29 65.674 -11.801 -10.779 1.00 1.00 O ATOM 497 OE2 GLU A 29 66.668 -10.073 -9.960 1.00 1.00 O ATOM 0 H GLU A 29 61.957 -10.448 -8.891 1.00 1.00 H new ATOM 0 HA GLU A 29 62.481 -12.855 -7.383 1.00 1.00 H new ATOM 0 HB2 GLU A 29 64.740 -12.681 -8.320 1.00 1.00 H new ATOM 0 HB3 GLU A 29 63.535 -12.460 -9.573 1.00 1.00 H new ATOM 0 HG2 GLU A 29 63.826 -10.006 -9.481 1.00 1.00 H new ATOM 0 HG3 GLU A 29 64.932 -10.156 -8.130 1.00 1.00 H new ATOM 504 N LEU A 30 62.974 -10.124 -5.880 1.00 1.00 N ATOM 505 CA LEU A 30 63.405 -9.497 -4.614 1.00 1.00 C ATOM 506 C LEU A 30 62.156 -9.471 -3.743 1.00 1.00 C ATOM 507 O LEU A 30 61.478 -10.496 -3.671 1.00 1.00 O ATOM 508 CB LEU A 30 63.976 -8.101 -4.911 1.00 1.00 C ATOM 509 CG LEU A 30 64.724 -7.504 -3.713 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.964 -8.361 -3.335 1.00 1.00 C ATOM 511 CD2 LEU A 30 65.162 -6.081 -4.099 1.00 1.00 C ATOM 0 H LEU A 30 62.286 -9.578 -6.398 1.00 1.00 H new ATOM 0 HA LEU A 30 64.201 -10.035 -4.100 1.00 1.00 H new ATOM 0 HB2 LEU A 30 64.653 -8.163 -5.763 1.00 1.00 H new ATOM 0 HB3 LEU A 30 63.163 -7.433 -5.197 1.00 1.00 H new ATOM 0 HG LEU A 30 64.068 -7.487 -2.843 1.00 1.00 H new ATOM 0 HD11 LEU A 30 66.472 -7.910 -2.482 1.00 1.00 H new ATOM 0 HD12 LEU A 30 65.643 -9.370 -3.075 1.00 1.00 H new ATOM 0 HD13 LEU A 30 66.648 -8.405 -4.183 1.00 1.00 H new ATOM 0 HD21 LEU A 30 65.699 -5.627 -3.266 1.00 1.00 H new ATOM 0 HD22 LEU A 30 65.815 -6.125 -4.970 1.00 1.00 H new ATOM 0 HD23 LEU A 30 64.283 -5.481 -4.335 1.00 1.00 H new ATOM 523 N SER A 31 61.762 -8.346 -3.118 1.00 1.00 N ATOM 524 CA SER A 31 60.511 -8.366 -2.348 1.00 1.00 C ATOM 525 C SER A 31 60.139 -6.962 -1.913 1.00 1.00 C ATOM 526 O SER A 31 60.989 -6.085 -1.820 1.00 1.00 O ATOM 527 CB SER A 31 60.639 -9.277 -1.117 1.00 1.00 C ATOM 528 OG SER A 31 61.130 -8.519 -0.017 1.00 1.00 O ATOM 0 H SER A 31 62.263 -7.457 -3.128 1.00 1.00 H new ATOM 0 HA SER A 31 59.725 -8.762 -2.991 1.00 1.00 H new ATOM 0 HB2 SER A 31 59.670 -9.711 -0.870 1.00 1.00 H new ATOM 0 HB3 SER A 31 61.314 -10.105 -1.332 1.00 1.00 H new ATOM 0 HG SER A 31 61.211 -9.098 0.769 1.00 1.00 H new ATOM 534 N ASP A 32 58.879 -6.745 -1.648 1.00 1.00 N ATOM 535 CA ASP A 32 58.456 -5.416 -1.229 1.00 1.00 C ATOM 536 C ASP A 32 59.338 -4.900 -0.061 1.00 1.00 C ATOM 537 O ASP A 32 59.869 -3.792 -0.111 1.00 1.00 O ATOM 538 CB ASP A 32 57.015 -5.511 -0.752 1.00 1.00 C ATOM 539 CG ASP A 32 56.499 -4.136 -0.340 1.00 1.00 C ATOM 540 OD1 ASP A 32 56.301 -3.312 -1.218 1.00 1.00 O ATOM 541 OD2 ASP A 32 56.305 -3.930 0.846 1.00 1.00 O ATOM 0 H ASP A 32 58.138 -7.443 -1.709 1.00 1.00 H new ATOM 0 HA ASP A 32 58.551 -4.725 -2.066 1.00 1.00 H new ATOM 0 HB2 ASP A 32 56.389 -5.919 -1.546 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.949 -6.199 0.091 1.00 1.00 H new ATOM 546 N ASP A 33 59.364 -5.661 1.035 1.00 1.00 N ATOM 547 CA ASP A 33 60.035 -5.237 2.277 1.00 1.00 C ATOM 548 C ASP A 33 61.462 -4.725 2.024 1.00 1.00 C ATOM 549 O ASP A 33 62.025 -3.850 2.684 1.00 1.00 O ATOM 550 CB ASP A 33 60.204 -6.502 3.135 1.00 1.00 C ATOM 551 CG ASP A 33 60.843 -6.149 4.477 1.00 1.00 C ATOM 552 OD1 ASP A 33 60.675 -5.022 4.914 1.00 1.00 O ATOM 553 OD2 ASP A 33 61.494 -7.010 5.045 1.00 1.00 O ATOM 0 H ASP A 33 58.927 -6.581 1.093 1.00 1.00 H new ATOM 0 HA ASP A 33 59.441 -4.446 2.735 1.00 1.00 H new ATOM 0 HB2 ASP A 33 59.234 -6.971 3.298 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.824 -7.227 2.608 1.00 1.00 H new ATOM 558 N GLU A 34 61.964 -5.410 1.007 1.00 1.00 N ATOM 559 CA GLU A 34 63.312 -5.244 0.470 1.00 1.00 C ATOM 560 C GLU A 34 63.379 -4.019 -0.444 1.00 1.00 C ATOM 561 O GLU A 34 64.334 -3.247 -0.388 1.00 1.00 O ATOM 562 CB GLU A 34 63.770 -6.535 -0.244 1.00 1.00 C ATOM 563 CG GLU A 34 64.166 -7.608 0.785 1.00 1.00 C ATOM 564 CD GLU A 34 64.606 -8.882 0.071 1.00 1.00 C ATOM 565 OE1 GLU A 34 63.790 -9.455 -0.634 1.00 1.00 O ATOM 566 OE2 GLU A 34 65.751 -9.268 0.241 1.00 1.00 O ATOM 0 H GLU A 34 61.427 -6.123 0.514 1.00 1.00 H new ATOM 0 HA GLU A 34 64.005 -5.067 1.293 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.968 -6.910 -0.879 1.00 1.00 H new ATOM 0 HB3 GLU A 34 64.617 -6.317 -0.895 1.00 1.00 H new ATOM 0 HG2 GLU A 34 64.974 -7.238 1.415 1.00 1.00 H new ATOM 0 HG3 GLU A 34 63.323 -7.822 1.441 1.00 1.00 H new ATOM 573 N LEU A 35 62.414 -3.906 -1.351 1.00 1.00 N ATOM 574 CA LEU A 35 62.424 -2.840 -2.357 1.00 1.00 C ATOM 575 C LEU A 35 62.848 -1.488 -1.740 1.00 1.00 C ATOM 576 O LEU A 35 63.294 -0.605 -2.474 1.00 1.00 O ATOM 577 CB LEU A 35 60.995 -2.727 -3.008 1.00 1.00 C ATOM 578 CG LEU A 35 60.909 -3.362 -4.423 1.00 1.00 C ATOM 579 CD1 LEU A 35 61.885 -2.688 -5.416 1.00 1.00 C ATOM 580 CD2 LEU A 35 61.160 -4.879 -4.358 1.00 1.00 C ATOM 0 H LEU A 35 61.615 -4.537 -1.413 1.00 1.00 H new ATOM 0 HA LEU A 35 63.156 -3.091 -3.125 1.00 1.00 H new ATOM 0 HB2 LEU A 35 60.268 -3.211 -2.356 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.715 -1.675 -3.072 1.00 1.00 H new ATOM 0 HG LEU A 35 59.898 -3.194 -4.794 1.00 1.00 H new ATOM 0 HD11 LEU A 35 61.794 -3.161 -6.394 1.00 1.00 H new ATOM 0 HD12 LEU A 35 61.643 -1.629 -5.502 1.00 1.00 H new ATOM 0 HD13 LEU A 35 62.907 -2.799 -5.053 1.00 1.00 H new ATOM 0 HD21 LEU A 35 61.095 -5.302 -5.361 1.00 1.00 H new ATOM 0 HD22 LEU A 35 62.153 -5.066 -3.949 1.00 1.00 H new ATOM 0 HD23 LEU A 35 60.410 -5.345 -3.718 1.00 1.00 H new ATOM 592 N GLU A 36 62.721 -1.298 -0.420 1.00 1.00 N ATOM 593 CA GLU A 36 63.125 -0.007 0.152 1.00 1.00 C ATOM 594 C GLU A 36 64.607 0.215 -0.199 1.00 1.00 C ATOM 595 O GLU A 36 65.073 1.310 -0.477 1.00 1.00 O ATOM 596 CB GLU A 36 62.925 0.005 1.673 1.00 1.00 C ATOM 597 CG GLU A 36 61.427 -0.019 2.009 1.00 1.00 C ATOM 598 CD GLU A 36 61.223 0.177 3.507 1.00 1.00 C ATOM 599 OE1 GLU A 36 62.184 0.518 4.176 1.00 1.00 O ATOM 600 OE2 GLU A 36 60.109 -0.018 3.963 1.00 1.00 O ATOM 0 H GLU A 36 62.361 -1.984 0.244 1.00 1.00 H new ATOM 0 HA GLU A 36 62.511 0.794 -0.260 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.419 -0.858 2.119 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.387 0.894 2.101 1.00 1.00 H new ATOM 0 HG2 GLU A 36 60.910 0.767 1.458 1.00 1.00 H new ATOM 0 HG3 GLU A 36 60.991 -0.968 1.696 1.00 1.00 H new ATOM 607 N LEU A 37 65.294 -0.918 -0.161 1.00 1.00 N ATOM 608 CA LEU A 37 66.728 -0.968 -0.471 1.00 1.00 C ATOM 609 C LEU A 37 66.915 -0.394 -1.875 1.00 1.00 C ATOM 610 O LEU A 37 67.703 0.524 -2.087 1.00 1.00 O ATOM 611 CB LEU A 37 67.246 -2.427 -0.463 1.00 1.00 C ATOM 612 CG LEU A 37 67.267 -3.004 0.983 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.219 -4.539 0.936 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.554 -2.587 1.725 1.00 1.00 C ATOM 0 H LEU A 37 64.886 -1.821 0.081 1.00 1.00 H new ATOM 0 HA LEU A 37 67.282 -0.401 0.277 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.610 -3.046 -1.096 1.00 1.00 H new ATOM 0 HB3 LEU A 37 68.249 -2.463 -0.887 1.00 1.00 H new ATOM 0 HG LEU A 37 66.398 -2.610 1.510 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.234 -4.935 1.952 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.305 -4.859 0.435 1.00 1.00 H new ATOM 0 HD13 LEU A 37 68.084 -4.913 0.388 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.544 -3.003 2.733 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.423 -2.964 1.186 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.605 -1.500 1.782 1.00 1.00 H new ATOM 626 N PHE A 38 66.202 -0.971 -2.824 1.00 1.00 N ATOM 627 CA PHE A 38 66.277 -0.585 -4.233 1.00 1.00 C ATOM 628 C PHE A 38 65.831 0.871 -4.467 1.00 1.00 C ATOM 629 O PHE A 38 66.417 1.590 -5.259 1.00 1.00 O ATOM 630 CB PHE A 38 65.362 -1.587 -5.040 1.00 1.00 C ATOM 631 CG PHE A 38 66.110 -2.236 -6.191 1.00 1.00 C ATOM 632 CD1 PHE A 38 67.109 -3.171 -5.915 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.801 -1.908 -7.513 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.806 -3.779 -6.959 1.00 1.00 C ATOM 635 CE2 PHE A 38 66.492 -2.512 -8.560 1.00 1.00 C ATOM 636 CZ PHE A 38 67.499 -3.448 -8.287 1.00 1.00 C ATOM 0 H PHE A 38 65.545 -1.730 -2.643 1.00 1.00 H new ATOM 0 HA PHE A 38 67.312 -0.637 -4.571 1.00 1.00 H new ATOM 0 HB2 PHE A 38 64.989 -2.360 -4.368 1.00 1.00 H new ATOM 0 HB3 PHE A 38 64.493 -1.054 -5.426 1.00 1.00 H new ATOM 0 HD1 PHE A 38 67.343 -3.424 -4.891 1.00 1.00 H new ATOM 0 HD2 PHE A 38 65.026 -1.186 -7.723 1.00 1.00 H new ATOM 0 HE1 PHE A 38 68.579 -4.502 -6.746 1.00 1.00 H new ATOM 0 HE2 PHE A 38 66.252 -2.259 -9.582 1.00 1.00 H new ATOM 0 HZ PHE A 38 68.038 -3.914 -9.099 1.00 1.00 H new ATOM 646 N TYR A 39 64.821 1.286 -3.722 1.00 1.00 N ATOM 647 CA TYR A 39 64.335 2.682 -3.823 1.00 1.00 C ATOM 648 C TYR A 39 65.266 3.621 -3.063 1.00 1.00 C ATOM 649 O TYR A 39 65.816 4.563 -3.638 1.00 1.00 O ATOM 650 CB TYR A 39 62.865 2.810 -3.402 1.00 1.00 C ATOM 651 CG TYR A 39 61.988 2.316 -4.543 1.00 1.00 C ATOM 652 CD1 TYR A 39 61.964 3.030 -5.751 1.00 1.00 C ATOM 653 CD2 TYR A 39 61.235 1.140 -4.409 1.00 1.00 C ATOM 654 CE1 TYR A 39 61.183 2.568 -6.820 1.00 1.00 C ATOM 655 CE2 TYR A 39 60.459 0.680 -5.479 1.00 1.00 C ATOM 656 CZ TYR A 39 60.433 1.393 -6.684 1.00 1.00 C ATOM 657 OH TYR A 39 59.670 0.937 -7.738 1.00 1.00 O ATOM 0 H TYR A 39 64.321 0.704 -3.050 1.00 1.00 H new ATOM 0 HA TYR A 39 64.359 2.985 -4.870 1.00 1.00 H new ATOM 0 HB2 TYR A 39 62.677 2.226 -2.501 1.00 1.00 H new ATOM 0 HB3 TYR A 39 62.628 3.847 -3.165 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.546 3.934 -5.857 1.00 1.00 H new ATOM 0 HD2 TYR A 39 61.254 0.590 -3.480 1.00 1.00 H new ATOM 0 HE1 TYR A 39 61.160 3.119 -7.749 1.00 1.00 H new ATOM 0 HE2 TYR A 39 59.880 -0.226 -5.375 1.00 1.00 H new ATOM 0 HH TYR A 39 59.214 0.110 -7.478 1.00 1.00 H new ATOM 667 N SER A 40 65.454 3.371 -1.802 1.00 1.00 N ATOM 668 CA SER A 40 66.334 4.199 -1.001 1.00 1.00 C ATOM 669 C SER A 40 67.742 4.272 -1.617 1.00 1.00 C ATOM 670 O SER A 40 68.423 5.293 -1.524 1.00 1.00 O ATOM 671 CB SER A 40 66.411 3.592 0.395 1.00 1.00 C ATOM 672 OG SER A 40 67.003 4.524 1.289 1.00 1.00 O ATOM 0 H SER A 40 65.014 2.602 -1.296 1.00 1.00 H new ATOM 0 HA SER A 40 65.939 5.214 -0.960 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.413 3.324 0.741 1.00 1.00 H new ATOM 0 HB3 SER A 40 66.997 2.673 0.371 1.00 1.00 H new ATOM 0 HG SER A 40 67.050 4.132 2.186 1.00 1.00 H new ATOM 678 N ALA A 41 68.166 3.158 -2.237 1.00 1.00 N ATOM 679 CA ALA A 41 69.519 3.100 -2.859 1.00 1.00 C ATOM 680 C ALA A 41 69.538 3.761 -4.247 1.00 1.00 C ATOM 681 O ALA A 41 70.351 4.643 -4.510 1.00 1.00 O ATOM 682 CB ALA A 41 70.021 1.659 -2.962 1.00 1.00 C ATOM 0 H ALA A 41 67.617 2.303 -2.325 1.00 1.00 H new ATOM 0 HA ALA A 41 70.189 3.659 -2.206 1.00 1.00 H new ATOM 0 HB1 ALA A 41 71.010 1.650 -3.420 1.00 1.00 H new ATOM 0 HB2 ALA A 41 70.079 1.222 -1.965 1.00 1.00 H new ATOM 0 HB3 ALA A 41 69.333 1.077 -3.574 1.00 1.00 H new ATOM 688 N ALA A 42 68.707 3.253 -5.152 1.00 1.00 N ATOM 689 CA ALA A 42 68.696 3.713 -6.549 1.00 1.00 C ATOM 690 C ALA A 42 68.617 5.237 -6.723 1.00 1.00 C ATOM 691 O ALA A 42 69.164 5.779 -7.673 1.00 1.00 O ATOM 692 CB ALA A 42 67.483 3.111 -7.264 1.00 1.00 C ATOM 0 H ALA A 42 68.028 2.520 -4.948 1.00 1.00 H new ATOM 0 HA ALA A 42 69.647 3.387 -6.970 1.00 1.00 H new ATOM 0 HB1 ALA A 42 67.468 3.447 -8.301 1.00 1.00 H new ATOM 0 HB2 ALA A 42 67.547 2.023 -7.236 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.569 3.433 -6.765 1.00 1.00 H new ATOM 698 N ASP A 43 67.910 5.937 -5.846 1.00 1.00 N ATOM 699 CA ASP A 43 67.783 7.393 -6.001 1.00 1.00 C ATOM 700 C ASP A 43 69.191 8.015 -6.137 1.00 1.00 C ATOM 701 O ASP A 43 69.435 8.867 -6.985 1.00 1.00 O ATOM 702 CB ASP A 43 66.993 7.958 -4.793 1.00 1.00 C ATOM 703 CG ASP A 43 66.118 9.150 -5.196 1.00 1.00 C ATOM 704 OD1 ASP A 43 66.455 9.806 -6.168 1.00 1.00 O ATOM 705 OD2 ASP A 43 65.127 9.384 -4.525 1.00 1.00 O ATOM 0 H ASP A 43 67.426 5.542 -5.040 1.00 1.00 H new ATOM 0 HA ASP A 43 67.229 7.647 -6.905 1.00 1.00 H new ATOM 0 HB2 ASP A 43 66.366 7.173 -4.369 1.00 1.00 H new ATOM 0 HB3 ASP A 43 67.690 8.265 -4.014 1.00 1.00 H new ATOM 710 N HIS A 44 70.076 7.585 -5.247 1.00 1.00 N ATOM 711 CA HIS A 44 71.458 8.090 -5.219 1.00 1.00 C ATOM 712 C HIS A 44 72.036 8.101 -6.649 1.00 1.00 C ATOM 713 O HIS A 44 72.611 9.095 -7.094 1.00 1.00 O ATOM 714 CB HIS A 44 72.317 7.191 -4.327 1.00 1.00 C ATOM 715 CG HIS A 44 71.922 7.366 -2.884 1.00 1.00 C ATOM 716 ND1 HIS A 44 70.829 6.715 -2.332 1.00 1.00 N ATOM 717 CD2 HIS A 44 72.463 8.116 -1.868 1.00 1.00 C ATOM 718 CE1 HIS A 44 70.748 7.081 -1.039 1.00 1.00 C ATOM 719 NE2 HIS A 44 71.719 7.935 -0.704 1.00 1.00 N ATOM 0 H HIS A 44 69.869 6.888 -4.532 1.00 1.00 H new ATOM 0 HA HIS A 44 71.461 9.104 -4.820 1.00 1.00 H new ATOM 0 HB2 HIS A 44 72.195 6.149 -4.622 1.00 1.00 H new ATOM 0 HB3 HIS A 44 73.371 7.437 -4.456 1.00 1.00 H new ATOM 0 HD1 HIS A 44 70.200 6.075 -2.818 1.00 1.00 H new ATOM 0 HD2 HIS A 44 73.333 8.750 -1.958 1.00 1.00 H new ATOM 0 HE1 HIS A 44 69.990 6.727 -0.356 1.00 1.00 H new ATOM 728 N ARG A 45 71.837 7.001 -7.359 1.00 1.00 N ATOM 729 CA ARG A 45 72.282 6.849 -8.750 1.00 1.00 C ATOM 730 C ARG A 45 71.562 7.860 -9.677 1.00 1.00 C ATOM 731 O ARG A 45 71.973 8.082 -10.799 1.00 1.00 O ATOM 732 CB ARG A 45 72.027 5.380 -9.195 1.00 1.00 C ATOM 733 CG ARG A 45 72.125 5.175 -10.736 1.00 1.00 C ATOM 734 CD ARG A 45 73.512 5.565 -11.334 1.00 1.00 C ATOM 735 NE ARG A 45 73.806 4.684 -12.476 1.00 1.00 N ATOM 736 CZ ARG A 45 74.559 5.066 -13.513 1.00 1.00 C ATOM 737 NH1 ARG A 45 75.015 6.284 -13.596 1.00 1.00 N ATOM 738 NH2 ARG A 45 74.830 4.211 -14.455 1.00 1.00 N ATOM 0 H ARG A 45 71.359 6.179 -6.990 1.00 1.00 H new ATOM 0 HA ARG A 45 73.348 7.064 -8.822 1.00 1.00 H new ATOM 0 HB2 ARG A 45 72.749 4.728 -8.703 1.00 1.00 H new ATOM 0 HB3 ARG A 45 71.037 5.072 -8.857 1.00 1.00 H new ATOM 0 HG2 ARG A 45 71.920 4.130 -10.968 1.00 1.00 H new ATOM 0 HG3 ARG A 45 71.350 5.767 -11.222 1.00 1.00 H new ATOM 0 HD2 ARG A 45 73.504 6.607 -11.654 1.00 1.00 H new ATOM 0 HD3 ARG A 45 74.289 5.470 -10.576 1.00 1.00 H new ATOM 0 HE ARG A 45 73.418 3.741 -12.476 1.00 1.00 H new ATOM 0 HH11 ARG A 45 74.799 6.961 -12.864 1.00 1.00 H new ATOM 0 HH12 ARG A 45 75.588 6.561 -14.393 1.00 1.00 H new ATOM 0 HH21 ARG A 45 74.469 3.259 -14.399 1.00 1.00 H new ATOM 0 HH22 ARG A 45 75.403 4.493 -15.250 1.00 1.00 H new ATOM 752 N LEU A 46 70.466 8.462 -9.221 1.00 1.00 N ATOM 753 CA LEU A 46 69.732 9.433 -10.069 1.00 1.00 C ATOM 754 C LEU A 46 70.424 10.826 -10.136 1.00 1.00 C ATOM 755 O LEU A 46 70.609 11.374 -11.223 1.00 1.00 O ATOM 756 CB LEU A 46 68.285 9.560 -9.536 1.00 1.00 C ATOM 757 CG LEU A 46 67.300 10.162 -10.616 1.00 1.00 C ATOM 758 CD1 LEU A 46 65.890 9.554 -10.481 1.00 1.00 C ATOM 759 CD2 LEU A 46 67.183 11.684 -10.449 1.00 1.00 C ATOM 0 H LEU A 46 70.065 8.309 -8.296 1.00 1.00 H new ATOM 0 HA LEU A 46 69.727 9.056 -11.092 1.00 1.00 H new ATOM 0 HB2 LEU A 46 67.926 8.578 -9.227 1.00 1.00 H new ATOM 0 HB3 LEU A 46 68.281 10.194 -8.650 1.00 1.00 H new ATOM 0 HG LEU A 46 67.710 9.921 -11.597 1.00 1.00 H new ATOM 0 HD11 LEU A 46 65.234 9.986 -11.236 1.00 1.00 H new ATOM 0 HD12 LEU A 46 65.944 8.475 -10.622 1.00 1.00 H new ATOM 0 HD13 LEU A 46 65.494 9.771 -9.489 1.00 1.00 H new ATOM 0 HD21 LEU A 46 66.501 12.081 -11.201 1.00 1.00 H new ATOM 0 HD22 LEU A 46 66.800 11.913 -9.455 1.00 1.00 H new ATOM 0 HD23 LEU A 46 68.165 12.140 -10.573 1.00 1.00 H new ATOM 771 N ALA A 47 70.763 11.404 -8.973 1.00 1.00 N ATOM 772 CA ALA A 47 71.388 12.754 -8.904 1.00 1.00 C ATOM 773 C ALA A 47 72.712 12.836 -9.693 1.00 1.00 C ATOM 774 O ALA A 47 73.005 13.823 -10.369 1.00 1.00 O ATOM 775 CB ALA A 47 71.653 13.112 -7.440 1.00 1.00 C ATOM 0 H ALA A 47 70.619 10.966 -8.063 1.00 1.00 H new ATOM 0 HA ALA A 47 70.692 13.459 -9.358 1.00 1.00 H new ATOM 0 HB1 ALA A 47 72.111 14.100 -7.384 1.00 1.00 H new ATOM 0 HB2 ALA A 47 70.712 13.117 -6.890 1.00 1.00 H new ATOM 0 HB3 ALA A 47 72.326 12.375 -7.001 1.00 1.00 H new ATOM 781 N GLU A 48 73.452 11.754 -9.617 1.00 1.00 N ATOM 782 CA GLU A 48 74.713 11.674 -10.370 1.00 1.00 C ATOM 783 C GLU A 48 74.351 11.709 -11.864 1.00 1.00 C ATOM 784 O GLU A 48 74.851 12.549 -12.612 1.00 1.00 O ATOM 785 CB GLU A 48 75.611 10.481 -9.964 1.00 1.00 C ATOM 786 CG GLU A 48 74.937 9.105 -10.201 1.00 1.00 C ATOM 787 CD GLU A 48 75.360 8.498 -11.541 1.00 1.00 C ATOM 788 OE1 GLU A 48 75.290 9.197 -12.536 1.00 1.00 O ATOM 789 OE2 GLU A 48 75.771 7.351 -11.539 1.00 1.00 O ATOM 0 H GLU A 48 73.224 10.930 -9.061 1.00 1.00 H new ATOM 0 HA GLU A 48 75.344 12.529 -10.127 1.00 1.00 H new ATOM 0 HB2 GLU A 48 76.542 10.525 -10.530 1.00 1.00 H new ATOM 0 HB3 GLU A 48 75.874 10.574 -8.910 1.00 1.00 H new ATOM 0 HG2 GLU A 48 75.202 8.424 -9.392 1.00 1.00 H new ATOM 0 HG3 GLU A 48 73.853 9.220 -10.178 1.00 1.00 H new ATOM 796 N LEU A 49 73.464 10.809 -12.280 1.00 1.00 N ATOM 797 CA LEU A 49 73.012 10.752 -13.681 1.00 1.00 C ATOM 798 C LEU A 49 72.450 12.107 -14.111 1.00 1.00 C ATOM 799 O LEU A 49 72.618 12.523 -15.259 1.00 1.00 O ATOM 800 CB LEU A 49 71.881 9.681 -13.824 1.00 1.00 C ATOM 801 CG LEU A 49 72.481 8.252 -14.014 1.00 1.00 C ATOM 802 CD1 LEU A 49 71.443 7.158 -13.650 1.00 1.00 C ATOM 803 CD2 LEU A 49 72.956 8.033 -15.483 1.00 1.00 C ATOM 0 H LEU A 49 73.040 10.107 -11.673 1.00 1.00 H new ATOM 0 HA LEU A 49 73.864 10.491 -14.309 1.00 1.00 H new ATOM 0 HB2 LEU A 49 71.246 9.697 -12.938 1.00 1.00 H new ATOM 0 HB3 LEU A 49 71.247 9.929 -14.675 1.00 1.00 H new ATOM 0 HG LEU A 49 73.337 8.172 -13.344 1.00 1.00 H new ATOM 0 HD11 LEU A 49 71.888 6.173 -13.792 1.00 1.00 H new ATOM 0 HD12 LEU A 49 71.142 7.274 -12.609 1.00 1.00 H new ATOM 0 HD13 LEU A 49 70.569 7.257 -14.294 1.00 1.00 H new ATOM 0 HD21 LEU A 49 73.369 7.030 -15.586 1.00 1.00 H new ATOM 0 HD22 LEU A 49 72.110 8.148 -16.160 1.00 1.00 H new ATOM 0 HD23 LEU A 49 73.722 8.768 -15.731 1.00 1.00 H new ATOM 815 N THR A 50 71.745 12.766 -13.199 1.00 1.00 N ATOM 816 CA THR A 50 71.121 14.043 -13.522 1.00 1.00 C ATOM 817 C THR A 50 72.175 14.998 -14.073 1.00 1.00 C ATOM 818 O THR A 50 71.904 15.746 -15.014 1.00 1.00 O ATOM 819 CB THR A 50 70.399 14.592 -12.282 1.00 1.00 C ATOM 820 OG1 THR A 50 69.469 13.621 -11.828 1.00 1.00 O ATOM 821 CG2 THR A 50 69.645 15.897 -12.586 1.00 1.00 C ATOM 0 H THR A 50 71.592 12.443 -12.244 1.00 1.00 H new ATOM 0 HA THR A 50 70.366 13.918 -14.298 1.00 1.00 H new ATOM 0 HB THR A 50 71.150 14.806 -11.521 1.00 1.00 H new ATOM 0 HG1 THR A 50 69.951 12.879 -11.406 1.00 1.00 H new ATOM 0 HG21 THR A 50 69.149 16.250 -11.682 1.00 1.00 H new ATOM 0 HG22 THR A 50 70.350 16.653 -12.932 1.00 1.00 H new ATOM 0 HG23 THR A 50 68.900 15.715 -13.361 1.00 1.00 H new ATOM 829 N MET A 51 73.401 14.907 -13.554 1.00 1.00 N ATOM 830 CA MET A 51 74.530 15.700 -14.075 1.00 1.00 C ATOM 831 C MET A 51 75.341 14.713 -14.927 1.00 1.00 C ATOM 832 O MET A 51 74.883 14.352 -16.007 1.00 1.00 O ATOM 833 CB MET A 51 75.366 16.361 -12.921 1.00 1.00 C ATOM 834 CG MET A 51 74.990 15.782 -11.546 1.00 1.00 C ATOM 835 SD MET A 51 75.790 16.776 -10.260 1.00 1.00 S ATOM 836 CE MET A 51 77.513 16.399 -10.684 1.00 1.00 C ATOM 0 H MET A 51 73.643 14.295 -12.775 1.00 1.00 H new ATOM 0 HA MET A 51 74.200 16.550 -14.672 1.00 1.00 H new ATOM 0 HB2 MET A 51 76.429 16.203 -13.105 1.00 1.00 H new ATOM 0 HB3 MET A 51 75.199 17.438 -12.921 1.00 1.00 H new ATOM 0 HG2 MET A 51 73.908 15.793 -11.414 1.00 1.00 H new ATOM 0 HG3 MET A 51 75.309 14.742 -11.473 1.00 1.00 H new ATOM 0 HE1 MET A 51 78.143 16.543 -9.807 1.00 1.00 H new ATOM 0 HE2 MET A 51 77.587 15.364 -11.019 1.00 1.00 H new ATOM 0 HE3 MET A 51 77.845 17.063 -11.482 1.00 1.00 H new ATOM 846 N ASN A 52 76.473 14.209 -14.425 1.00 1.00 N ATOM 847 CA ASN A 52 77.228 13.194 -15.171 1.00 1.00 C ATOM 848 C ASN A 52 78.493 12.771 -14.409 1.00 1.00 C ATOM 849 O ASN A 52 79.535 12.537 -15.022 1.00 1.00 O ATOM 850 CB ASN A 52 77.610 13.696 -16.585 1.00 1.00 C ATOM 851 CG ASN A 52 78.141 15.124 -16.502 1.00 1.00 C ATOM 852 OD1 ASN A 52 77.509 15.988 -15.895 1.00 1.00 O ATOM 853 ND2 ASN A 52 79.273 15.426 -17.080 1.00 1.00 N ATOM 0 H ASN A 52 76.880 14.477 -13.529 1.00 1.00 H new ATOM 0 HA ASN A 52 76.576 12.327 -15.277 1.00 1.00 H new ATOM 0 HB2 ASN A 52 78.366 13.042 -17.021 1.00 1.00 H new ATOM 0 HB3 ASN A 52 76.740 13.659 -17.241 1.00 1.00 H new ATOM 0 HD21 ASN A 52 79.634 16.379 -17.028 1.00 1.00 H new ATOM 0 HD22 ASN A 52 79.796 14.709 -17.583 1.00 1.00 H new ATOM 860 N LYS A 53 78.414 12.680 -13.069 1.00 1.00 N ATOM 861 CA LYS A 53 79.581 12.292 -12.245 1.00 1.00 C ATOM 862 C LYS A 53 79.242 11.115 -11.326 1.00 1.00 C ATOM 863 O LYS A 53 78.582 10.161 -11.742 1.00 1.00 O ATOM 864 CB LYS A 53 80.064 13.490 -11.417 1.00 1.00 C ATOM 865 CG LYS A 53 80.323 14.688 -12.345 1.00 1.00 C ATOM 866 CD LYS A 53 81.049 15.815 -11.580 1.00 1.00 C ATOM 867 CE LYS A 53 81.341 16.970 -12.539 1.00 1.00 C ATOM 868 NZ LYS A 53 82.101 18.032 -11.820 1.00 1.00 N ATOM 0 H LYS A 53 77.565 12.867 -12.535 1.00 1.00 H new ATOM 0 HA LYS A 53 80.380 11.977 -12.916 1.00 1.00 H new ATOM 0 HB2 LYS A 53 79.317 13.752 -10.668 1.00 1.00 H new ATOM 0 HB3 LYS A 53 80.976 13.230 -10.880 1.00 1.00 H new ATOM 0 HG2 LYS A 53 80.925 14.372 -13.197 1.00 1.00 H new ATOM 0 HG3 LYS A 53 79.378 15.059 -12.742 1.00 1.00 H new ATOM 0 HD2 LYS A 53 80.433 16.163 -10.751 1.00 1.00 H new ATOM 0 HD3 LYS A 53 81.978 15.439 -11.151 1.00 1.00 H new ATOM 0 HE2 LYS A 53 81.916 16.611 -13.393 1.00 1.00 H new ATOM 0 HE3 LYS A 53 80.408 17.377 -12.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 82.300 18.818 -12.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 81.537 18.381 -11.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 82.997 17.639 -11.467 1.00 1.00 H new ATOM 882 N LEU A 54 79.751 11.163 -10.088 1.00 1.00 N ATOM 883 CA LEU A 54 79.571 10.082 -9.109 1.00 1.00 C ATOM 884 C LEU A 54 79.160 10.632 -7.739 1.00 1.00 C ATOM 885 O LEU A 54 80.011 11.170 -7.030 1.00 1.00 O ATOM 886 CB LEU A 54 80.946 9.395 -8.963 1.00 1.00 C ATOM 887 CG LEU A 54 80.977 8.400 -7.777 1.00 1.00 C ATOM 888 CD1 LEU A 54 79.747 7.479 -7.811 1.00 1.00 C ATOM 889 CD2 LEU A 54 82.250 7.549 -7.863 1.00 1.00 C ATOM 0 H LEU A 54 80.298 11.950 -9.737 1.00 1.00 H new ATOM 0 HA LEU A 54 78.790 9.401 -9.447 1.00 1.00 H new ATOM 0 HB2 LEU A 54 81.186 8.866 -9.885 1.00 1.00 H new ATOM 0 HB3 LEU A 54 81.716 10.153 -8.820 1.00 1.00 H new ATOM 0 HG LEU A 54 80.966 8.965 -6.845 1.00 1.00 H new ATOM 0 HD11 LEU A 54 79.787 6.787 -6.970 1.00 1.00 H new ATOM 0 HD12 LEU A 54 78.840 8.080 -7.743 1.00 1.00 H new ATOM 0 HD13 LEU A 54 79.740 6.916 -8.744 1.00 1.00 H new ATOM 0 HD21 LEU A 54 82.275 6.847 -7.029 1.00 1.00 H new ATOM 0 HD22 LEU A 54 82.256 6.997 -8.803 1.00 1.00 H new ATOM 0 HD23 LEU A 54 83.125 8.198 -7.818 1.00 1.00 H new ATOM 901 N TYR A 55 77.894 10.476 -7.319 1.00 1.00 N ATOM 902 CA TYR A 55 77.497 10.959 -5.973 1.00 1.00 C ATOM 903 C TYR A 55 77.976 9.893 -4.982 1.00 1.00 C ATOM 904 O TYR A 55 78.957 9.245 -5.316 1.00 1.00 O ATOM 905 CB TYR A 55 75.973 11.227 -5.935 1.00 1.00 C ATOM 906 CG TYR A 55 75.663 12.658 -6.377 1.00 1.00 C ATOM 907 CD1 TYR A 55 76.480 13.326 -7.310 1.00 1.00 C ATOM 908 CD2 TYR A 55 74.569 13.330 -5.818 1.00 1.00 C ATOM 909 CE1 TYR A 55 76.198 14.643 -7.668 1.00 1.00 C ATOM 910 CE2 TYR A 55 74.294 14.654 -6.172 1.00 1.00 C ATOM 911 CZ TYR A 55 75.111 15.313 -7.097 1.00 1.00 C ATOM 912 OH TYR A 55 74.844 16.619 -7.447 1.00 1.00 O ATOM 0 H TYR A 55 77.149 10.038 -7.862 1.00 1.00 H new ATOM 0 HA TYR A 55 77.952 11.913 -5.708 1.00 1.00 H new ATOM 0 HB2 TYR A 55 75.458 10.521 -6.586 1.00 1.00 H new ATOM 0 HB3 TYR A 55 75.595 11.063 -4.926 1.00 1.00 H new ATOM 0 HD1 TYR A 55 77.326 12.817 -7.748 1.00 1.00 H new ATOM 0 HD2 TYR A 55 73.933 12.822 -5.108 1.00 1.00 H new ATOM 0 HE1 TYR A 55 76.822 15.149 -8.390 1.00 1.00 H new ATOM 0 HE2 TYR A 55 73.452 15.168 -5.732 1.00 1.00 H new ATOM 0 HH TYR A 55 75.436 16.889 -8.180 1.00 1.00 H new ATOM 922 N ASP A 56 77.298 9.679 -3.823 1.00 1.00 N ATOM 923 CA ASP A 56 77.697 8.624 -2.845 1.00 1.00 C ATOM 924 C ASP A 56 77.297 8.982 -1.391 1.00 1.00 C ATOM 925 O ASP A 56 78.156 9.176 -0.538 1.00 1.00 O ATOM 926 CB ASP A 56 79.224 8.251 -2.922 1.00 1.00 C ATOM 927 CG ASP A 56 79.712 7.456 -1.702 1.00 1.00 C ATOM 928 OD1 ASP A 56 79.184 6.382 -1.469 1.00 1.00 O ATOM 929 OD2 ASP A 56 80.608 7.936 -1.026 1.00 1.00 O ATOM 0 H ASP A 56 76.478 10.217 -3.542 1.00 1.00 H new ATOM 0 HA ASP A 56 77.135 7.738 -3.141 1.00 1.00 H new ATOM 0 HB2 ASP A 56 79.404 7.667 -3.825 1.00 1.00 H new ATOM 0 HB3 ASP A 56 79.811 9.165 -3.011 1.00 1.00 H new ATOM 934 N LYS A 57 75.978 8.993 -1.139 1.00 1.00 N ATOM 935 CA LYS A 57 75.304 9.206 0.168 1.00 1.00 C ATOM 936 C LYS A 57 74.615 10.568 0.091 1.00 1.00 C ATOM 937 O LYS A 57 75.363 11.530 0.270 1.00 1.00 O ATOM 938 CB LYS A 57 76.245 9.217 1.400 1.00 1.00 C ATOM 939 CG LYS A 57 76.881 7.827 1.632 1.00 1.00 C ATOM 940 CD LYS A 57 78.092 7.961 2.562 1.00 1.00 C ATOM 941 CE LYS A 57 78.564 6.573 2.975 1.00 1.00 C ATOM 942 NZ LYS A 57 79.682 6.697 3.951 1.00 1.00 N ATOM 0 H LYS A 57 75.302 8.844 -1.888 1.00 1.00 H new ATOM 0 HA LYS A 57 74.626 8.366 0.319 1.00 1.00 H new ATOM 0 HB2 LYS A 57 77.030 9.959 1.254 1.00 1.00 H new ATOM 0 HB3 LYS A 57 75.685 9.516 2.286 1.00 1.00 H new ATOM 0 HG2 LYS A 57 76.148 7.149 2.069 1.00 1.00 H new ATOM 0 HG3 LYS A 57 77.188 7.393 0.680 1.00 1.00 H new ATOM 0 HD2 LYS A 57 78.896 8.496 2.057 1.00 1.00 H new ATOM 0 HD3 LYS A 57 77.826 8.545 3.443 1.00 1.00 H new ATOM 0 HE2 LYS A 57 77.740 6.015 3.419 1.00 1.00 H new ATOM 0 HE3 LYS A 57 78.893 6.014 2.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 80.004 5.749 4.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 80.470 7.214 3.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 79.354 7.215 4.791 1.00 1.00 H new ATOM 956 N ILE A 58 73.299 10.769 -0.194 1.00 1.00 N ATOM 957 CA ILE A 58 72.745 12.167 -0.291 1.00 1.00 C ATOM 958 C ILE A 58 71.564 12.477 0.698 1.00 1.00 C ATOM 959 O ILE A 58 70.641 11.669 0.803 1.00 1.00 O ATOM 960 CB ILE A 58 72.349 12.436 -1.807 1.00 1.00 C ATOM 961 CG1 ILE A 58 73.220 13.577 -2.423 1.00 1.00 C ATOM 962 CG2 ILE A 58 70.870 12.831 -1.963 1.00 1.00 C ATOM 963 CD1 ILE A 58 74.680 13.112 -2.605 1.00 1.00 C ATOM 0 H ILE A 58 72.621 10.024 -0.356 1.00 1.00 H new ATOM 0 HA ILE A 58 73.525 12.858 0.029 1.00 1.00 H new ATOM 0 HB ILE A 58 72.526 11.498 -2.332 1.00 1.00 H new ATOM 0 HG12 ILE A 58 72.806 13.878 -3.386 1.00 1.00 H new ATOM 0 HG13 ILE A 58 73.190 14.453 -1.776 1.00 1.00 H new ATOM 0 HG21 ILE A 58 70.649 13.004 -3.016 1.00 1.00 H new ATOM 0 HG22 ILE A 58 70.237 12.027 -1.587 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.675 13.742 -1.397 1.00 1.00 H new ATOM 0 HD11 ILE A 58 75.269 13.922 -3.035 1.00 1.00 H new ATOM 0 HD12 ILE A 58 75.097 12.835 -1.637 1.00 1.00 H new ATOM 0 HD13 ILE A 58 74.707 12.250 -3.272 1.00 1.00 H new ATOM 975 N PRO A 59 71.497 13.673 1.311 1.00 1.00 N ATOM 976 CA PRO A 59 70.307 14.082 2.143 1.00 1.00 C ATOM 977 C PRO A 59 68.966 13.897 1.381 1.00 1.00 C ATOM 978 O PRO A 59 68.946 13.914 0.153 1.00 1.00 O ATOM 979 CB PRO A 59 70.548 15.602 2.345 1.00 1.00 C ATOM 980 CG PRO A 59 72.015 15.721 2.419 1.00 1.00 C ATOM 981 CD PRO A 59 72.526 14.764 1.334 1.00 1.00 C ATOM 0 HA PRO A 59 70.226 13.492 3.056 1.00 1.00 H new ATOM 0 HB2 PRO A 59 70.141 16.184 1.518 1.00 1.00 H new ATOM 0 HB3 PRO A 59 70.071 15.965 3.256 1.00 1.00 H new ATOM 0 HG2 PRO A 59 72.341 16.744 2.233 1.00 1.00 H new ATOM 0 HG3 PRO A 59 72.388 15.441 3.404 1.00 1.00 H new ATOM 0 HD2 PRO A 59 72.605 15.260 0.367 1.00 1.00 H new ATOM 0 HD3 PRO A 59 73.516 14.376 1.575 1.00 1.00 H new ATOM 989 N PRO A 60 67.859 13.775 2.075 1.00 1.00 N ATOM 990 CA PRO A 60 66.510 13.647 1.426 1.00 1.00 C ATOM 991 C PRO A 60 66.131 14.958 0.707 1.00 1.00 C ATOM 992 O PRO A 60 65.199 15.004 -0.096 1.00 1.00 O ATOM 993 CB PRO A 60 65.570 13.339 2.613 1.00 1.00 C ATOM 994 CG PRO A 60 66.254 13.968 3.788 1.00 1.00 C ATOM 995 CD PRO A 60 67.751 13.751 3.546 1.00 1.00 C ATOM 0 HA PRO A 60 66.464 12.876 0.657 1.00 1.00 H new ATOM 0 HB2 PRO A 60 64.577 13.761 2.456 1.00 1.00 H new ATOM 0 HB3 PRO A 60 65.442 12.266 2.753 1.00 1.00 H new ATOM 0 HG2 PRO A 60 66.017 15.029 3.860 1.00 1.00 H new ATOM 0 HG3 PRO A 60 65.935 13.506 4.723 1.00 1.00 H new ATOM 0 HD2 PRO A 60 68.352 14.535 4.007 1.00 1.00 H new ATOM 0 HD3 PRO A 60 68.093 12.802 3.960 1.00 1.00 H new ATOM 1003 N THR A 61 66.885 16.009 1.024 1.00 1.00 N ATOM 1004 CA THR A 61 66.695 17.347 0.452 1.00 1.00 C ATOM 1005 C THR A 61 66.746 17.339 -1.075 1.00 1.00 C ATOM 1006 O THR A 61 65.999 18.045 -1.752 1.00 1.00 O ATOM 1007 CB THR A 61 67.847 18.226 0.943 1.00 1.00 C ATOM 1008 OG1 THR A 61 67.885 18.203 2.362 1.00 1.00 O ATOM 1009 CG2 THR A 61 67.658 19.669 0.459 1.00 1.00 C ATOM 0 H THR A 61 67.654 15.958 1.692 1.00 1.00 H new ATOM 0 HA THR A 61 65.716 17.713 0.761 1.00 1.00 H new ATOM 0 HB THR A 61 68.784 17.840 0.542 1.00 1.00 H new ATOM 0 HG1 THR A 61 68.623 18.764 2.679 1.00 1.00 H new ATOM 0 HG21 THR A 61 68.485 20.284 0.815 1.00 1.00 H new ATOM 0 HG22 THR A 61 67.636 19.687 -0.631 1.00 1.00 H new ATOM 0 HG23 THR A 61 66.719 20.063 0.848 1.00 1.00 H new ATOM 1017 N VAL A 62 67.679 16.557 -1.582 1.00 1.00 N ATOM 1018 CA VAL A 62 67.943 16.431 -3.010 1.00 1.00 C ATOM 1019 C VAL A 62 66.816 15.791 -3.834 1.00 1.00 C ATOM 1020 O VAL A 62 66.462 16.316 -4.888 1.00 1.00 O ATOM 1021 CB VAL A 62 69.181 15.548 -3.129 1.00 1.00 C ATOM 1022 CG1 VAL A 62 69.575 15.365 -4.607 1.00 1.00 C ATOM 1023 CG2 VAL A 62 70.351 16.204 -2.359 1.00 1.00 C ATOM 0 H VAL A 62 68.289 15.978 -1.005 1.00 1.00 H new ATOM 0 HA VAL A 62 68.057 17.437 -3.414 1.00 1.00 H new ATOM 0 HB VAL A 62 68.959 14.569 -2.704 1.00 1.00 H new ATOM 0 HG11 VAL A 62 70.460 14.732 -4.672 1.00 1.00 H new ATOM 0 HG12 VAL A 62 68.753 14.895 -5.147 1.00 1.00 H new ATOM 0 HG13 VAL A 62 69.791 16.338 -5.049 1.00 1.00 H new ATOM 0 HG21 VAL A 62 71.238 15.576 -2.441 1.00 1.00 H new ATOM 0 HG22 VAL A 62 70.561 17.186 -2.783 1.00 1.00 H new ATOM 0 HG23 VAL A 62 70.080 16.313 -1.309 1.00 1.00 H new ATOM 1033 N TRP A 63 66.297 14.633 -3.410 1.00 1.00 N ATOM 1034 CA TRP A 63 65.276 13.958 -4.223 1.00 1.00 C ATOM 1035 C TRP A 63 64.117 14.908 -4.566 1.00 1.00 C ATOM 1036 O TRP A 63 63.367 14.651 -5.509 1.00 1.00 O ATOM 1037 CB TRP A 63 64.684 12.652 -3.595 1.00 1.00 C ATOM 1038 CG TRP A 63 65.621 11.940 -2.661 1.00 1.00 C ATOM 1039 CD1 TRP A 63 65.349 11.670 -1.356 1.00 1.00 C ATOM 1040 CD2 TRP A 63 66.918 11.338 -2.933 1.00 1.00 C ATOM 1041 NE1 TRP A 63 66.385 10.940 -0.821 1.00 1.00 N ATOM 1042 CE2 TRP A 63 67.377 10.711 -1.747 1.00 1.00 C ATOM 1043 CE3 TRP A 63 67.734 11.273 -4.075 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 68.592 10.040 -1.699 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 68.965 10.597 -4.027 1.00 1.00 C ATOM 1046 CH2 TRP A 63 69.389 9.980 -2.841 1.00 1.00 C ATOM 0 H TRP A 63 66.553 14.158 -2.544 1.00 1.00 H new ATOM 0 HA TRP A 63 65.814 13.659 -5.123 1.00 1.00 H new ATOM 0 HB2 TRP A 63 63.771 12.903 -3.055 1.00 1.00 H new ATOM 0 HB3 TRP A 63 64.402 11.971 -4.398 1.00 1.00 H new ATOM 0 HD1 TRP A 63 64.461 11.979 -0.825 1.00 1.00 H new ATOM 0 HE1 TRP A 63 66.414 10.609 0.143 1.00 1.00 H new ATOM 0 HE3 TRP A 63 67.414 11.744 -4.993 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 68.917 9.568 -0.784 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 69.588 10.552 -4.908 1.00 1.00 H new ATOM 0 HH2 TRP A 63 70.334 9.458 -2.813 1.00 1.00 H new ATOM 1057 N GLN A 64 64.029 16.046 -3.834 1.00 1.00 N ATOM 1058 CA GLN A 64 62.985 17.086 -4.134 1.00 1.00 C ATOM 1059 C GLN A 64 63.482 18.087 -5.185 1.00 1.00 C ATOM 1060 O GLN A 64 62.681 18.661 -5.923 1.00 1.00 O ATOM 1061 CB GLN A 64 62.414 17.758 -2.882 1.00 1.00 C ATOM 1062 CG GLN A 64 61.880 16.689 -1.925 1.00 1.00 C ATOM 1063 CD GLN A 64 61.491 17.322 -0.593 1.00 1.00 C ATOM 1064 OE1 GLN A 64 61.246 18.527 -0.525 1.00 1.00 O ATOM 1065 NE2 GLN A 64 61.417 16.577 0.476 1.00 1.00 N ATOM 0 H GLN A 64 64.643 16.274 -3.052 1.00 1.00 H new ATOM 0 HA GLN A 64 62.136 16.560 -4.571 1.00 1.00 H new ATOM 0 HB2 GLN A 64 63.186 18.349 -2.389 1.00 1.00 H new ATOM 0 HB3 GLN A 64 61.615 18.446 -3.158 1.00 1.00 H new ATOM 0 HG2 GLN A 64 61.015 16.194 -2.367 1.00 1.00 H new ATOM 0 HG3 GLN A 64 62.638 15.923 -1.764 1.00 1.00 H new ATOM 0 HE21 GLN A 64 61.620 15.579 0.417 1.00 1.00 H new ATOM 0 HE22 GLN A 64 61.156 16.993 1.370 1.00 1.00 H new ATOM 1074 N HIS A 65 64.803 18.305 -5.245 1.00 1.00 N ATOM 1075 CA HIS A 65 65.406 19.254 -6.203 1.00 1.00 C ATOM 1076 C HIS A 65 66.084 18.539 -7.360 1.00 1.00 C ATOM 1077 O HIS A 65 65.775 18.791 -8.523 1.00 1.00 O ATOM 1078 CB HIS A 65 66.457 20.094 -5.475 1.00 1.00 C ATOM 1079 CG HIS A 65 65.792 20.925 -4.412 1.00 1.00 C ATOM 1080 ND1 HIS A 65 66.046 20.735 -3.063 1.00 1.00 N ATOM 1081 CD2 HIS A 65 64.881 21.949 -4.483 1.00 1.00 C ATOM 1082 CE1 HIS A 65 65.301 21.624 -2.382 1.00 1.00 C ATOM 1083 NE2 HIS A 65 64.572 22.389 -3.199 1.00 1.00 N ATOM 0 H HIS A 65 65.479 17.838 -4.641 1.00 1.00 H new ATOM 0 HA HIS A 65 64.606 19.876 -6.604 1.00 1.00 H new ATOM 0 HB2 HIS A 65 67.209 19.445 -5.026 1.00 1.00 H new ATOM 0 HB3 HIS A 65 66.976 20.739 -6.184 1.00 1.00 H new ATOM 0 HD1 HIS A 65 66.682 20.047 -2.660 1.00 1.00 H new ATOM 0 HD2 HIS A 65 64.467 22.352 -5.396 1.00 1.00 H new ATOM 0 HE1 HIS A 65 65.293 21.709 -1.305 1.00 1.00 H new ATOM 1092 N VAL A 66 67.022 17.663 -7.034 1.00 1.00 N ATOM 1093 CA VAL A 66 67.761 16.936 -8.048 1.00 1.00 C ATOM 1094 C VAL A 66 68.404 17.937 -9.017 1.00 1.00 C ATOM 1095 O VAL A 66 68.207 17.857 -10.227 1.00 1.00 O ATOM 1096 CB VAL A 66 66.818 15.961 -8.807 1.00 1.00 C ATOM 1097 CG1 VAL A 66 67.624 14.777 -9.384 1.00 1.00 C ATOM 1098 CG2 VAL A 66 65.745 15.416 -7.849 1.00 1.00 C ATOM 0 H VAL A 66 67.288 17.440 -6.075 1.00 1.00 H new ATOM 0 HA VAL A 66 68.545 16.344 -7.575 1.00 1.00 H new ATOM 0 HB VAL A 66 66.342 16.507 -9.622 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.951 14.102 -9.913 1.00 1.00 H new ATOM 0 HG12 VAL A 66 68.378 15.153 -10.075 1.00 1.00 H new ATOM 0 HG13 VAL A 66 68.113 14.239 -8.572 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.088 14.734 -8.389 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.226 14.884 -7.029 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.159 16.244 -7.450 1.00 1.00 H new ATOM 1108 N LYS A 67 69.148 18.892 -8.462 1.00 1.00 N ATOM 1109 CA LYS A 67 69.806 19.933 -9.261 1.00 1.00 C ATOM 1110 C LYS A 67 71.055 20.438 -8.545 1.00 1.00 C ATOM 1111 O LYS A 67 72.151 20.412 -9.100 1.00 1.00 O ATOM 1112 CB LYS A 67 68.838 21.111 -9.497 1.00 1.00 C ATOM 1113 CG LYS A 67 67.760 20.721 -10.517 1.00 1.00 C ATOM 1114 CD LYS A 67 66.926 21.955 -10.873 1.00 1.00 C ATOM 1115 CE LYS A 67 65.751 21.542 -11.763 1.00 1.00 C ATOM 1116 NZ LYS A 67 64.951 20.489 -11.078 1.00 1.00 N ATOM 0 H LYS A 67 69.313 18.969 -7.458 1.00 1.00 H new ATOM 0 HA LYS A 67 70.093 19.503 -10.221 1.00 1.00 H new ATOM 0 HB2 LYS A 67 68.370 21.400 -8.556 1.00 1.00 H new ATOM 0 HB3 LYS A 67 69.391 21.978 -9.857 1.00 1.00 H new ATOM 0 HG2 LYS A 67 68.224 20.311 -11.414 1.00 1.00 H new ATOM 0 HG3 LYS A 67 67.119 19.942 -10.105 1.00 1.00 H new ATOM 0 HD2 LYS A 67 66.557 22.431 -9.965 1.00 1.00 H new ATOM 0 HD3 LYS A 67 67.546 22.689 -11.389 1.00 1.00 H new ATOM 0 HE2 LYS A 67 65.124 22.407 -11.979 1.00 1.00 H new ATOM 0 HE3 LYS A 67 66.119 21.169 -12.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 63.939 20.653 -11.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 65.219 19.554 -11.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 65.135 20.523 -10.055 1.00 1.00 H new ATOM 1130 N HIS A 68 70.878 20.907 -7.317 1.00 1.00 N ATOM 1131 CA HIS A 68 71.997 21.434 -6.531 1.00 1.00 C ATOM 1132 C HIS A 68 73.229 20.526 -6.627 1.00 1.00 C ATOM 1133 O HIS A 68 73.109 19.302 -6.675 1.00 1.00 O ATOM 1134 CB HIS A 68 71.580 21.576 -5.062 1.00 1.00 C ATOM 1135 CG HIS A 68 70.535 22.653 -4.932 1.00 1.00 C ATOM 1136 ND1 HIS A 68 69.178 22.380 -4.995 1.00 1.00 N ATOM 1137 CD2 HIS A 68 70.637 24.010 -4.747 1.00 1.00 C ATOM 1138 CE1 HIS A 68 68.523 23.547 -4.851 1.00 1.00 C ATOM 1139 NE2 HIS A 68 69.365 24.572 -4.697 1.00 1.00 N ATOM 0 H HIS A 68 69.976 20.935 -6.841 1.00 1.00 H new ATOM 0 HA HIS A 68 72.261 22.410 -6.939 1.00 1.00 H new ATOM 0 HB2 HIS A 68 71.188 20.629 -4.692 1.00 1.00 H new ATOM 0 HB3 HIS A 68 72.448 21.822 -4.450 1.00 1.00 H new ATOM 0 HD2 HIS A 68 71.563 24.558 -4.654 1.00 1.00 H new ATOM 0 HE1 HIS A 68 67.447 23.643 -4.859 1.00 1.00 H new ATOM 0 HE2 HIS A 68 69.127 25.556 -4.570 1.00 1.00 H new ATOM 1148 N HIS A 69 74.410 21.142 -6.652 1.00 1.00 N ATOM 1149 CA HIS A 69 75.662 20.398 -6.736 1.00 1.00 C ATOM 1150 C HIS A 69 76.841 21.343 -6.529 1.00 1.00 C ATOM 1151 O HIS A 69 76.653 22.513 -6.196 1.00 1.00 O ATOM 1152 CB HIS A 69 75.784 19.711 -8.100 1.00 1.00 C ATOM 1153 CG HIS A 69 75.780 20.748 -9.190 1.00 1.00 C ATOM 1154 ND1 HIS A 69 74.606 21.243 -9.735 1.00 1.00 N ATOM 1155 CD2 HIS A 69 76.798 21.393 -9.849 1.00 1.00 C ATOM 1156 CE1 HIS A 69 74.942 22.144 -10.676 1.00 1.00 C ATOM 1157 NE2 HIS A 69 76.266 22.274 -10.786 1.00 1.00 N ATOM 0 H HIS A 69 74.524 22.155 -6.615 1.00 1.00 H new ATOM 0 HA HIS A 69 75.668 19.636 -5.957 1.00 1.00 H new ATOM 0 HB2 HIS A 69 76.703 19.127 -8.143 1.00 1.00 H new ATOM 0 HB3 HIS A 69 74.957 19.015 -8.243 1.00 1.00 H new ATOM 0 HD1 HIS A 69 73.659 20.973 -9.471 1.00 1.00 H new ATOM 0 HD2 HIS A 69 77.852 21.240 -9.668 1.00 1.00 H new ATOM 0 HE1 HIS A 69 74.228 22.695 -11.270 1.00 1.00 H new ATOM 1166 N HIS A 70 78.059 20.837 -6.727 1.00 1.00 N ATOM 1167 CA HIS A 70 79.263 21.656 -6.553 1.00 1.00 C ATOM 1168 C HIS A 70 80.433 21.078 -7.343 1.00 1.00 C ATOM 1169 O HIS A 70 80.621 19.863 -7.396 1.00 1.00 O ATOM 1170 CB HIS A 70 79.638 21.718 -5.070 1.00 1.00 C ATOM 1171 CG HIS A 70 78.561 22.437 -4.305 1.00 1.00 C ATOM 1172 ND1 HIS A 70 77.408 21.991 -3.706 1.00 1.00 N flip ATOM 1173 CD2 HIS A 70 78.602 23.803 -4.077 1.00 1.00 C flip ATOM 1174 CE1 HIS A 70 76.744 23.061 -3.115 1.00 1.00 C flip ATOM 1175 NE2 HIS A 70 77.505 24.129 -3.368 1.00 1.00 N flip ATOM 0 H HIS A 70 78.239 19.872 -7.006 1.00 1.00 H new ATOM 0 HA HIS A 70 79.050 22.658 -6.924 1.00 1.00 H new ATOM 0 HB2 HIS A 70 79.767 20.710 -4.675 1.00 1.00 H new ATOM 0 HB3 HIS A 70 80.591 22.233 -4.947 1.00 1.00 H new ATOM 0 HD2 HIS A 70 79.374 24.483 -4.408 1.00 1.00 H new ATOM 0 HE1 HIS A 70 75.813 23.034 -2.569 1.00 1.00 H new ATOM 0 HE2 HIS A 70 77.282 25.076 -3.061 1.00 1.00 H new