USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 639 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 56 THR OG1 : rot -140:sc= -0.491 USER MOD Set 1.2: A 59 THR OG1 : rot 129:sc= 0.227 USER MOD Set 2.1: A 7 TYR OH : rot 37:sc= 1.08 USER MOD Set 2.2: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 3 SER OG : rot 160:sc= -0.151 USER MOD Set 3.2: A 6 HIS : no HD1:sc= -0.87 K(o=-1,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0231) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HE2:sc= -4! C(o=-4!,f=-5.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -140:sc= 0.143 USER MOD Single : A 25 ASN : amide:sc= -4.45! K(o=-4.4!,f=-3.4) USER MOD Single : A 26 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.061) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.37) USER MOD Single : A 32 SER OG : rot 19:sc= 0.00265 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.126 (180deg=-0.246) USER MOD Single : A 36 THR OG1 : rot -57:sc= 1.14 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -14:sc= 0.895 USER MOD Single : A 41 HIS : no HD1:sc=-0.00651 X(o=-0.0065,f=-0.0065) USER MOD Single : A 44 SER OG : rot -42:sc= 0.501 USER MOD Single : A 45 SER OG : rot -50:sc= 1.19 USER MOD Single : A 46 TYR OH : rot 127:sc= 0.331 USER MOD Single : A 50 ASN : amide:sc= -0.0443 K(o=-0.044,f=-10!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.54) USER MOD Single : A 57 MET CE :methyl -150:sc= -0.263 (180deg=-1.53!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 60:sc= 0.926 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.47) USER MOD Single : A 77 HIS : no HD1:sc= -0.655 K(o=-0.65,f=-3!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.818 K(o=-0.82,f=-0.14) USER MOD Single : A 81 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-5!) USER MOD Single : A 82 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.879 9.425 5.346 1.00 0.00 N ATOM 2 CA MET A 1 -4.003 8.220 5.401 1.00 0.00 C ATOM 3 C MET A 1 -4.836 6.977 5.091 1.00 0.00 C ATOM 4 O MET A 1 -5.069 6.137 5.961 1.00 0.00 O ATOM 5 CB MET A 1 -3.378 8.106 6.798 1.00 0.00 C ATOM 6 CG MET A 1 -2.144 7.202 6.740 1.00 0.00 C ATOM 7 SD MET A 1 -1.483 6.974 8.410 1.00 0.00 S ATOM 8 CE MET A 1 0.261 6.808 7.953 1.00 0.00 C ATOM 0 H1 MET A 1 -4.316 10.274 5.556 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.292 9.511 4.395 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.641 9.333 6.048 1.00 0.00 H new ATOM 0 HA MET A 1 -3.205 8.307 4.664 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.100 9.094 7.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.106 7.699 7.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.407 6.237 6.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.386 7.645 6.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.860 6.657 8.851 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.383 5.954 7.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.592 7.714 7.445 1.00 0.00 H new ATOM 20 N LYS A 2 -5.282 6.870 3.841 1.00 0.00 N ATOM 21 CA LYS A 2 -6.089 5.727 3.421 1.00 0.00 C ATOM 22 C LYS A 2 -5.321 4.426 3.631 1.00 0.00 C ATOM 23 O LYS A 2 -4.092 4.427 3.711 1.00 0.00 O ATOM 24 CB LYS A 2 -6.483 5.865 1.943 1.00 0.00 C ATOM 25 CG LYS A 2 -5.230 6.053 1.077 1.00 0.00 C ATOM 26 CD LYS A 2 -5.026 7.542 0.775 1.00 0.00 C ATOM 27 CE LYS A 2 -5.717 7.901 -0.544 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.862 7.466 -1.687 1.00 0.00 N ATOM 0 H LYS A 2 -5.100 7.555 3.107 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.994 5.705 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.028 4.978 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.153 6.715 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.357 5.654 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.333 5.495 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.433 8.146 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.961 7.768 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.692 7.417 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.892 8.976 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.462 7.260 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.192 8.224 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.334 6.610 -1.420 1.00 0.00 H new ATOM 42 N SER A 3 -6.052 3.318 3.723 1.00 0.00 N ATOM 43 CA SER A 3 -5.421 2.019 3.927 1.00 0.00 C ATOM 44 C SER A 3 -4.452 1.710 2.788 1.00 0.00 C ATOM 45 O SER A 3 -4.731 2.007 1.625 1.00 0.00 O ATOM 46 CB SER A 3 -6.487 0.920 4.021 1.00 0.00 C ATOM 47 OG SER A 3 -6.564 0.216 2.788 1.00 0.00 O ATOM 0 H SER A 3 -7.070 3.293 3.660 1.00 0.00 H new ATOM 0 HA SER A 3 -4.862 2.051 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.241 0.231 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.455 1.360 4.260 1.00 0.00 H new ATOM 0 HG SER A 3 -6.986 -0.656 2.935 1.00 0.00 H new ATOM 53 N PHE A 4 -3.317 1.113 3.133 1.00 0.00 N ATOM 54 CA PHE A 4 -2.308 0.763 2.138 1.00 0.00 C ATOM 55 C PHE A 4 -2.916 -0.105 1.035 1.00 0.00 C ATOM 56 O PHE A 4 -2.528 -0.006 -0.128 1.00 0.00 O ATOM 57 CB PHE A 4 -1.156 0.013 2.813 1.00 0.00 C ATOM 58 CG PHE A 4 -0.074 -0.287 1.800 1.00 0.00 C ATOM 59 CD1 PHE A 4 0.847 0.706 1.441 1.00 0.00 C ATOM 60 CD2 PHE A 4 0.007 -1.559 1.219 1.00 0.00 C ATOM 61 CE1 PHE A 4 1.847 0.426 0.503 1.00 0.00 C ATOM 62 CE2 PHE A 4 1.008 -1.838 0.281 1.00 0.00 C ATOM 63 CZ PHE A 4 1.928 -0.845 -0.077 1.00 0.00 C ATOM 0 H PHE A 4 -3.072 0.862 4.091 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.930 1.681 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.748 0.612 3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.522 -0.915 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.785 1.687 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.703 -2.325 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.557 1.191 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.071 -2.819 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.700 -1.060 -0.801 1.00 0.00 H new ATOM 73 N TYR A 5 -3.867 -0.956 1.415 1.00 0.00 N ATOM 74 CA TYR A 5 -4.521 -1.844 0.458 1.00 0.00 C ATOM 75 C TYR A 5 -5.380 -1.053 -0.526 1.00 0.00 C ATOM 76 O TYR A 5 -5.499 -1.428 -1.692 1.00 0.00 O ATOM 77 CB TYR A 5 -5.399 -2.858 1.198 1.00 0.00 C ATOM 78 CG TYR A 5 -6.049 -3.784 0.194 1.00 0.00 C ATOM 79 CD1 TYR A 5 -5.273 -4.723 -0.497 1.00 0.00 C ATOM 80 CD2 TYR A 5 -7.426 -3.700 -0.049 1.00 0.00 C ATOM 81 CE1 TYR A 5 -5.872 -5.576 -1.430 1.00 0.00 C ATOM 82 CE2 TYR A 5 -8.026 -4.555 -0.982 1.00 0.00 C ATOM 83 CZ TYR A 5 -7.248 -5.493 -1.673 1.00 0.00 C ATOM 84 OH TYR A 5 -7.838 -6.334 -2.593 1.00 0.00 O ATOM 0 H TYR A 5 -4.200 -1.049 2.375 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.745 -2.368 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.797 -3.432 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.162 -2.340 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.211 -4.789 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.025 -2.976 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.272 -6.299 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.088 -4.491 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.799 -6.146 -2.640 1.00 0.00 H new ATOM 94 N HIS A 6 -5.983 0.033 -0.048 1.00 0.00 N ATOM 95 CA HIS A 6 -6.835 0.859 -0.900 1.00 0.00 C ATOM 96 C HIS A 6 -6.012 1.566 -1.963 1.00 0.00 C ATOM 97 O HIS A 6 -6.318 1.485 -3.152 1.00 0.00 O ATOM 98 CB HIS A 6 -7.554 1.907 -0.071 1.00 0.00 C ATOM 99 CG HIS A 6 -8.505 1.245 0.892 1.00 0.00 C ATOM 100 ND1 HIS A 6 -8.653 -0.133 0.961 1.00 0.00 N ATOM 101 CD2 HIS A 6 -9.363 1.760 1.831 1.00 0.00 C ATOM 102 CE1 HIS A 6 -9.568 -0.395 1.912 1.00 0.00 C ATOM 103 NE2 HIS A 6 -10.032 0.724 2.473 1.00 0.00 N ATOM 0 H HIS A 6 -5.899 0.359 0.915 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.560 0.201 -1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.829 2.508 0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.101 2.586 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.498 2.811 2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.888 -1.389 2.188 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.728 0.802 3.214 1.00 0.00 H new ATOM 112 N TYR A 7 -4.959 2.257 -1.536 1.00 0.00 N ATOM 113 CA TYR A 7 -4.106 2.952 -2.484 1.00 0.00 C ATOM 114 C TYR A 7 -3.601 1.929 -3.488 1.00 0.00 C ATOM 115 O TYR A 7 -3.743 2.101 -4.700 1.00 0.00 O ATOM 116 CB TYR A 7 -2.930 3.620 -1.761 1.00 0.00 C ATOM 117 CG TYR A 7 -1.889 4.052 -2.770 1.00 0.00 C ATOM 118 CD1 TYR A 7 -2.088 5.214 -3.529 1.00 0.00 C ATOM 119 CD2 TYR A 7 -0.730 3.288 -2.950 1.00 0.00 C ATOM 120 CE1 TYR A 7 -1.125 5.609 -4.466 1.00 0.00 C ATOM 121 CE2 TYR A 7 0.231 3.684 -3.888 1.00 0.00 C ATOM 122 CZ TYR A 7 0.034 4.845 -4.645 1.00 0.00 C ATOM 123 OH TYR A 7 0.981 5.234 -5.571 1.00 0.00 O ATOM 0 H TYR A 7 -4.682 2.348 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.667 3.737 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.281 4.483 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.490 2.926 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.982 5.803 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.577 2.393 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.277 6.504 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.125 3.094 -4.028 1.00 0.00 H new ATOM 0 HH TYR A 7 1.050 6.212 -5.577 1.00 0.00 H new ATOM 133 N LEU A 8 -3.043 0.845 -2.957 1.00 0.00 N ATOM 134 CA LEU A 8 -2.553 -0.241 -3.787 1.00 0.00 C ATOM 135 C LEU A 8 -3.684 -0.794 -4.656 1.00 0.00 C ATOM 136 O LEU A 8 -3.434 -1.362 -5.720 1.00 0.00 O ATOM 137 CB LEU A 8 -1.982 -1.359 -2.904 1.00 0.00 C ATOM 138 CG LEU A 8 -1.050 -2.252 -3.734 1.00 0.00 C ATOM 139 CD1 LEU A 8 0.385 -1.720 -3.649 1.00 0.00 C ATOM 140 CD2 LEU A 8 -1.096 -3.686 -3.192 1.00 0.00 C ATOM 0 H LEU A 8 -2.921 0.699 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.764 0.142 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.436 -0.929 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.793 -1.954 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.377 -2.245 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.044 -2.356 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.419 -0.702 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.713 -1.723 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.434 -4.319 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.772 -3.692 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.115 -4.067 -3.257 1.00 0.00 H new ATOM 152 N LEU A 9 -4.933 -0.628 -4.196 1.00 0.00 N ATOM 153 CA LEU A 9 -6.082 -1.127 -4.955 1.00 0.00 C ATOM 154 C LEU A 9 -6.130 -0.503 -6.353 1.00 0.00 C ATOM 155 O LEU A 9 -6.728 -1.066 -7.270 1.00 0.00 O ATOM 156 CB LEU A 9 -7.390 -0.847 -4.206 1.00 0.00 C ATOM 157 CG LEU A 9 -8.227 -2.130 -4.134 1.00 0.00 C ATOM 158 CD1 LEU A 9 -9.449 -1.895 -3.242 1.00 0.00 C ATOM 159 CD2 LEU A 9 -8.691 -2.526 -5.539 1.00 0.00 C ATOM 0 H LEU A 9 -5.168 -0.161 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.966 -2.205 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.175 -0.484 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.951 -0.063 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.618 -2.932 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.043 -2.807 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.120 -1.620 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.054 -1.090 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.285 -3.438 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.296 -1.724 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.822 -2.698 -6.174 1.00 0.00 H new ATOM 171 N LYS A 10 -5.501 0.662 -6.504 1.00 0.00 N ATOM 172 CA LYS A 10 -5.479 1.354 -7.794 1.00 0.00 C ATOM 173 C LYS A 10 -4.647 0.567 -8.805 1.00 0.00 C ATOM 174 O LYS A 10 -4.759 0.776 -10.014 1.00 0.00 O ATOM 175 CB LYS A 10 -4.892 2.758 -7.616 1.00 0.00 C ATOM 176 CG LYS A 10 -4.883 3.495 -8.960 1.00 0.00 C ATOM 177 CD LYS A 10 -4.997 5.004 -8.723 1.00 0.00 C ATOM 178 CE LYS A 10 -3.766 5.499 -7.956 1.00 0.00 C ATOM 179 NZ LYS A 10 -3.857 6.975 -7.774 1.00 0.00 N ATOM 0 H LYS A 10 -5.003 1.144 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.499 1.434 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.480 3.318 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.878 2.690 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.964 3.271 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.711 3.151 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.079 5.527 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.903 5.226 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.705 5.005 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.857 5.244 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.022 7.313 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.895 7.438 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.717 7.206 -7.237 1.00 0.00 H new ATOM 193 N TYR A 11 -3.833 -0.353 -8.298 1.00 0.00 N ATOM 194 CA TYR A 11 -3.002 -1.194 -9.140 1.00 0.00 C ATOM 195 C TYR A 11 -3.724 -2.510 -9.385 1.00 0.00 C ATOM 196 O TYR A 11 -3.149 -3.590 -9.243 1.00 0.00 O ATOM 197 CB TYR A 11 -1.654 -1.447 -8.460 1.00 0.00 C ATOM 198 CG TYR A 11 -0.820 -0.189 -8.509 1.00 0.00 C ATOM 199 CD1 TYR A 11 -0.322 0.274 -9.732 1.00 0.00 C ATOM 200 CD2 TYR A 11 -0.547 0.515 -7.330 1.00 0.00 C ATOM 201 CE1 TYR A 11 0.448 1.442 -9.778 1.00 0.00 C ATOM 202 CE2 TYR A 11 0.224 1.683 -7.374 1.00 0.00 C ATOM 203 CZ TYR A 11 0.721 2.147 -8.598 1.00 0.00 C ATOM 204 OH TYR A 11 1.481 3.298 -8.643 1.00 0.00 O ATOM 0 H TYR A 11 -3.734 -0.533 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.818 -0.696 -10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.809 -1.753 -7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.131 -2.263 -8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.532 -0.270 -10.641 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.931 0.157 -6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.831 1.800 -10.722 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.435 2.226 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 11 1.575 3.664 -7.739 1.00 0.00 H new ATOM 214 N ARG A 12 -5.004 -2.389 -9.725 1.00 0.00 N ATOM 215 CA ARG A 12 -5.867 -3.548 -9.974 1.00 0.00 C ATOM 216 C ARG A 12 -5.099 -4.700 -10.618 1.00 0.00 C ATOM 217 O ARG A 12 -4.126 -4.495 -11.349 1.00 0.00 O ATOM 218 CB ARG A 12 -7.040 -3.154 -10.881 1.00 0.00 C ATOM 219 CG ARG A 12 -7.487 -1.725 -10.568 1.00 0.00 C ATOM 220 CD ARG A 12 -8.791 -1.418 -11.312 1.00 0.00 C ATOM 221 NE ARG A 12 -8.542 -1.317 -12.747 1.00 0.00 N ATOM 222 CZ ARG A 12 -9.510 -1.536 -13.638 1.00 0.00 C ATOM 223 NH1 ARG A 12 -10.715 -1.846 -13.239 1.00 0.00 N ATOM 224 NH2 ARG A 12 -9.255 -1.439 -14.914 1.00 0.00 N ATOM 0 H ARG A 12 -5.474 -1.491 -9.836 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.242 -3.884 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.743 -3.230 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.871 -3.844 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.633 -1.606 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.712 -1.018 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.523 -2.202 -11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.218 -0.485 -10.943 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.607 -1.074 -13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.919 -1.921 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.452 -2.013 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.316 -1.196 -15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.995 -1.606 -15.596 1.00 0.00 H new ATOM 238 N HIS A 13 -5.552 -5.912 -10.325 1.00 0.00 N ATOM 239 CA HIS A 13 -4.918 -7.117 -10.847 1.00 0.00 C ATOM 240 C HIS A 13 -5.165 -7.294 -12.350 1.00 0.00 C ATOM 241 O HIS A 13 -4.286 -7.764 -13.071 1.00 0.00 O ATOM 242 CB HIS A 13 -5.415 -8.349 -10.064 1.00 0.00 C ATOM 243 CG HIS A 13 -6.488 -9.089 -10.828 1.00 0.00 C ATOM 244 ND1 HIS A 13 -7.819 -9.062 -10.442 1.00 0.00 N ATOM 245 CD2 HIS A 13 -6.440 -9.889 -11.945 1.00 0.00 C ATOM 246 CE1 HIS A 13 -8.510 -9.821 -11.312 1.00 0.00 C ATOM 247 NE2 HIS A 13 -7.718 -10.350 -12.247 1.00 0.00 N ATOM 0 H HIS A 13 -6.359 -6.088 -9.726 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.841 -7.014 -10.713 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.578 -9.019 -9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.806 -8.034 -9.096 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.205 -8.558 -9.643 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.546 -10.124 -12.504 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.577 -9.983 -11.260 1.00 0.00 H new ATOM 256 N PRO A 14 -6.328 -6.947 -12.840 1.00 0.00 N ATOM 257 CA PRO A 14 -6.653 -7.098 -14.289 1.00 0.00 C ATOM 258 C PRO A 14 -5.820 -6.182 -15.192 1.00 0.00 C ATOM 259 O PRO A 14 -6.207 -5.908 -16.330 1.00 0.00 O ATOM 260 CB PRO A 14 -8.149 -6.752 -14.387 1.00 0.00 C ATOM 261 CG PRO A 14 -8.657 -6.675 -12.982 1.00 0.00 C ATOM 262 CD PRO A 14 -7.454 -6.381 -12.090 1.00 0.00 C ATOM 0 HA PRO A 14 -6.423 -8.105 -14.636 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.295 -5.804 -14.905 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.687 -7.512 -14.954 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.409 -5.892 -12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.133 -7.612 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.329 -5.311 -11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.558 -6.846 -11.109 1.00 0.00 H new ATOM 270 N LYS A 15 -4.673 -5.720 -14.690 1.00 0.00 N ATOM 271 CA LYS A 15 -3.804 -4.848 -15.474 1.00 0.00 C ATOM 272 C LYS A 15 -2.452 -4.653 -14.782 1.00 0.00 C ATOM 273 O LYS A 15 -2.148 -3.565 -14.289 1.00 0.00 O ATOM 274 CB LYS A 15 -4.481 -3.489 -15.687 1.00 0.00 C ATOM 275 CG LYS A 15 -3.569 -2.576 -16.518 1.00 0.00 C ATOM 276 CD LYS A 15 -4.406 -1.799 -17.538 1.00 0.00 C ATOM 277 CE LYS A 15 -3.487 -0.925 -18.396 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.227 -0.457 -19.602 1.00 0.00 N ATOM 0 H LYS A 15 -4.329 -5.934 -13.754 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.629 -5.321 -16.440 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.436 -3.624 -16.195 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.695 -3.025 -14.724 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.040 -1.883 -15.864 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.813 -3.171 -17.031 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.961 -2.491 -18.171 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.140 -1.178 -17.024 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.137 -0.070 -17.817 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.605 -1.491 -18.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.602 0.136 -20.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.540 -1.278 -20.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.056 0.098 -19.307 1.00 0.00 H new ATOM 292 N PRO A 16 -1.636 -5.678 -14.746 1.00 0.00 N ATOM 293 CA PRO A 16 -0.290 -5.614 -14.123 1.00 0.00 C ATOM 294 C PRO A 16 0.767 -5.133 -15.115 1.00 0.00 C ATOM 295 O PRO A 16 1.218 -5.892 -15.973 1.00 0.00 O ATOM 296 CB PRO A 16 -0.033 -7.059 -13.704 1.00 0.00 C ATOM 297 CG PRO A 16 -0.819 -7.907 -14.661 1.00 0.00 C ATOM 298 CD PRO A 16 -1.903 -7.016 -15.294 1.00 0.00 C ATOM 0 HA PRO A 16 -0.242 -4.909 -13.293 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.030 -7.297 -13.752 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.352 -7.231 -12.676 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.167 -8.321 -15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.273 -8.750 -14.141 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.837 -7.021 -16.382 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.904 -7.361 -15.034 1.00 0.00 H new ATOM 306 N LYS A 17 1.147 -3.866 -14.998 1.00 0.00 N ATOM 307 CA LYS A 17 2.140 -3.287 -15.896 1.00 0.00 C ATOM 308 C LYS A 17 3.554 -3.484 -15.352 1.00 0.00 C ATOM 309 O LYS A 17 4.302 -4.336 -15.833 1.00 0.00 O ATOM 310 CB LYS A 17 1.867 -1.791 -16.081 1.00 0.00 C ATOM 311 CG LYS A 17 0.397 -1.576 -16.456 1.00 0.00 C ATOM 312 CD LYS A 17 0.173 -0.107 -16.827 1.00 0.00 C ATOM 313 CE LYS A 17 -0.044 0.718 -15.556 1.00 0.00 C ATOM 314 NZ LYS A 17 -0.010 2.169 -15.892 1.00 0.00 N ATOM 0 H LYS A 17 0.785 -3.223 -14.294 1.00 0.00 H new ATOM 0 HA LYS A 17 2.065 -3.796 -16.857 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.100 -1.253 -15.162 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.514 -1.387 -16.860 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.127 -2.219 -17.294 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.246 -1.853 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.033 0.274 -17.377 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.692 -0.015 -17.484 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.001 0.461 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.728 0.486 -14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.157 2.729 -15.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.914 2.408 -16.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.762 2.384 -16.577 1.00 0.00 H new ATOM 328 N ASP A 18 3.913 -2.678 -14.355 1.00 0.00 N ATOM 329 CA ASP A 18 5.243 -2.750 -13.751 1.00 0.00 C ATOM 330 C ASP A 18 5.299 -3.826 -12.669 1.00 0.00 C ATOM 331 O ASP A 18 4.277 -4.397 -12.293 1.00 0.00 O ATOM 332 CB ASP A 18 5.610 -1.389 -13.147 1.00 0.00 C ATOM 333 CG ASP A 18 7.094 -1.352 -12.790 1.00 0.00 C ATOM 334 OD1 ASP A 18 7.901 -1.265 -13.702 1.00 0.00 O ATOM 335 OD2 ASP A 18 7.402 -1.411 -11.611 1.00 0.00 O ATOM 0 H ASP A 18 3.303 -1.969 -13.948 1.00 0.00 H new ATOM 0 HA ASP A 18 5.959 -3.012 -14.530 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.380 -0.594 -13.857 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.010 -1.205 -12.256 1.00 0.00 H new ATOM 340 N SER A 19 6.509 -4.086 -12.171 1.00 0.00 N ATOM 341 CA SER A 19 6.710 -5.086 -11.126 1.00 0.00 C ATOM 342 C SER A 19 5.765 -4.829 -9.952 1.00 0.00 C ATOM 343 O SER A 19 5.170 -5.760 -9.408 1.00 0.00 O ATOM 344 CB SER A 19 8.164 -5.042 -10.643 1.00 0.00 C ATOM 345 OG SER A 19 8.230 -5.457 -9.283 1.00 0.00 O ATOM 0 H SER A 19 7.362 -3.618 -12.475 1.00 0.00 H new ATOM 0 HA SER A 19 6.494 -6.072 -11.537 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.783 -5.692 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.561 -4.032 -10.745 1.00 0.00 H new ATOM 0 HG SER A 19 9.161 -5.429 -8.977 1.00 0.00 H new ATOM 351 N ILE A 20 5.631 -3.558 -9.577 1.00 0.00 N ATOM 352 CA ILE A 20 4.753 -3.183 -8.473 1.00 0.00 C ATOM 353 C ILE A 20 3.313 -3.586 -8.783 1.00 0.00 C ATOM 354 O ILE A 20 2.562 -3.983 -7.893 1.00 0.00 O ATOM 355 CB ILE A 20 4.840 -1.669 -8.227 1.00 0.00 C ATOM 356 CG1 ILE A 20 4.368 -1.354 -6.800 1.00 0.00 C ATOM 357 CG2 ILE A 20 3.961 -0.919 -9.237 1.00 0.00 C ATOM 358 CD1 ILE A 20 4.770 0.074 -6.425 1.00 0.00 C ATOM 0 H ILE A 20 6.116 -2.777 -10.018 1.00 0.00 H new ATOM 0 HA ILE A 20 5.074 -3.707 -7.572 1.00 0.00 H new ATOM 0 HB ILE A 20 5.874 -1.347 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.286 -1.467 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.807 -2.062 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.030 0.153 -9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.303 -1.137 -10.249 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.925 -1.240 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.433 0.293 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.854 0.172 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.309 0.776 -7.120 1.00 0.00 H new ATOM 370 N SER A 21 2.945 -3.486 -10.058 1.00 0.00 N ATOM 371 CA SER A 21 1.600 -3.846 -10.491 1.00 0.00 C ATOM 372 C SER A 21 1.352 -5.336 -10.263 1.00 0.00 C ATOM 373 O SER A 21 0.292 -5.729 -9.775 1.00 0.00 O ATOM 374 CB SER A 21 1.424 -3.512 -11.974 1.00 0.00 C ATOM 375 OG SER A 21 2.113 -2.305 -12.269 1.00 0.00 O ATOM 0 H SER A 21 3.557 -3.160 -10.806 1.00 0.00 H new ATOM 0 HA SER A 21 0.879 -3.275 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.810 -4.324 -12.590 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.365 -3.407 -12.212 1.00 0.00 H new ATOM 0 HG SER A 21 1.576 -1.764 -12.885 1.00 0.00 H new ATOM 381 N GLU A 22 2.344 -6.156 -10.609 1.00 0.00 N ATOM 382 CA GLU A 22 2.233 -7.602 -10.427 1.00 0.00 C ATOM 383 C GLU A 22 2.043 -7.924 -8.951 1.00 0.00 C ATOM 384 O GLU A 22 1.261 -8.806 -8.587 1.00 0.00 O ATOM 385 CB GLU A 22 3.493 -8.301 -10.948 1.00 0.00 C ATOM 386 CG GLU A 22 3.964 -7.626 -12.242 1.00 0.00 C ATOM 387 CD GLU A 22 4.948 -8.526 -12.989 1.00 0.00 C ATOM 388 OE1 GLU A 22 5.672 -9.260 -12.333 1.00 0.00 O ATOM 389 OE2 GLU A 22 4.965 -8.464 -14.207 1.00 0.00 O ATOM 0 H GLU A 22 3.227 -5.846 -11.014 1.00 0.00 H new ATOM 0 HA GLU A 22 1.371 -7.960 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.281 -8.257 -10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.286 -9.355 -11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.106 -7.408 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.439 -6.673 -12.010 1.00 0.00 H new ATOM 396 N PHE A 23 2.751 -7.183 -8.101 1.00 0.00 N ATOM 397 CA PHE A 23 2.643 -7.378 -6.664 1.00 0.00 C ATOM 398 C PHE A 23 1.198 -7.149 -6.241 1.00 0.00 C ATOM 399 O PHE A 23 0.610 -7.963 -5.528 1.00 0.00 O ATOM 400 CB PHE A 23 3.567 -6.397 -5.936 1.00 0.00 C ATOM 401 CG PHE A 23 3.430 -6.577 -4.442 1.00 0.00 C ATOM 402 CD1 PHE A 23 3.815 -7.782 -3.842 1.00 0.00 C ATOM 403 CD2 PHE A 23 2.921 -5.535 -3.657 1.00 0.00 C ATOM 404 CE1 PHE A 23 3.689 -7.946 -2.456 1.00 0.00 C ATOM 405 CE2 PHE A 23 2.796 -5.700 -2.272 1.00 0.00 C ATOM 406 CZ PHE A 23 3.181 -6.905 -1.672 1.00 0.00 C ATOM 0 H PHE A 23 3.400 -6.448 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 23 2.941 -8.394 -6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.601 -6.564 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.316 -5.373 -6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.209 -8.585 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.625 -4.605 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.984 -8.876 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.402 -4.897 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.086 -7.031 -0.604 1.00 0.00 H new ATOM 416 N ALA A 24 0.626 -6.044 -6.717 1.00 0.00 N ATOM 417 CA ALA A 24 -0.762 -5.721 -6.418 1.00 0.00 C ATOM 418 C ALA A 24 -1.656 -6.889 -6.830 1.00 0.00 C ATOM 419 O ALA A 24 -2.631 -7.207 -6.150 1.00 0.00 O ATOM 420 CB ALA A 24 -1.176 -4.453 -7.167 1.00 0.00 C ATOM 0 H ALA A 24 1.102 -5.363 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.870 -5.546 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.215 -4.218 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.540 -3.624 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.068 -4.612 -8.240 1.00 0.00 H new ATOM 426 N ASN A 25 -1.300 -7.530 -7.948 1.00 0.00 N ATOM 427 CA ASN A 25 -2.054 -8.671 -8.451 1.00 0.00 C ATOM 428 C ASN A 25 -2.201 -9.732 -7.364 1.00 0.00 C ATOM 429 O ASN A 25 -3.299 -10.228 -7.111 1.00 0.00 O ATOM 430 CB ASN A 25 -1.319 -9.276 -9.651 1.00 0.00 C ATOM 431 CG ASN A 25 -2.315 -9.704 -10.715 1.00 0.00 C ATOM 432 OD1 ASN A 25 -2.765 -10.850 -10.724 1.00 0.00 O ATOM 433 ND2 ASN A 25 -2.695 -8.847 -11.618 1.00 0.00 N ATOM 0 H ASN A 25 -0.494 -7.274 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.045 -8.333 -8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.623 -8.547 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.728 -10.134 -9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.366 -9.125 -12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.322 -7.898 -11.610 1.00 0.00 H new ATOM 440 N GLN A 26 -1.083 -10.067 -6.723 1.00 0.00 N ATOM 441 CA GLN A 26 -1.089 -11.066 -5.656 1.00 0.00 C ATOM 442 C GLN A 26 -1.977 -10.606 -4.500 1.00 0.00 C ATOM 443 O GLN A 26 -2.843 -11.351 -4.036 1.00 0.00 O ATOM 444 CB GLN A 26 0.339 -11.297 -5.148 1.00 0.00 C ATOM 445 CG GLN A 26 0.342 -12.403 -4.085 1.00 0.00 C ATOM 446 CD GLN A 26 1.777 -12.745 -3.692 1.00 0.00 C ATOM 447 OE1 GLN A 26 2.358 -13.695 -4.220 1.00 0.00 O ATOM 448 NE2 GLN A 26 2.389 -12.025 -2.790 1.00 0.00 N ATOM 0 H GLN A 26 -0.167 -9.665 -6.922 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.486 -11.999 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.989 -11.576 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.738 -10.374 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.216 -12.077 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.160 -13.291 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.908 -11.239 -2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.348 -12.249 -2.523 1.00 0.00 H new ATOM 457 N ALA A 27 -1.755 -9.376 -4.044 1.00 0.00 N ATOM 458 CA ALA A 27 -2.535 -8.817 -2.942 1.00 0.00 C ATOM 459 C ALA A 27 -4.028 -8.824 -3.268 1.00 0.00 C ATOM 460 O ALA A 27 -4.865 -8.957 -2.375 1.00 0.00 O ATOM 461 CB ALA A 27 -2.079 -7.385 -2.656 1.00 0.00 C ATOM 0 H ALA A 27 -1.044 -8.748 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.371 -9.437 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.664 -6.974 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.023 -7.387 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.224 -6.772 -3.546 1.00 0.00 H new ATOM 467 N TYR A 28 -4.354 -8.677 -4.550 1.00 0.00 N ATOM 468 CA TYR A 28 -5.748 -8.666 -4.985 1.00 0.00 C ATOM 469 C TYR A 28 -6.448 -9.970 -4.607 1.00 0.00 C ATOM 470 O TYR A 28 -7.654 -9.986 -4.362 1.00 0.00 O ATOM 471 CB TYR A 28 -5.819 -8.470 -6.503 1.00 0.00 C ATOM 472 CG TYR A 28 -7.166 -7.898 -6.883 1.00 0.00 C ATOM 473 CD1 TYR A 28 -8.234 -8.757 -7.172 1.00 0.00 C ATOM 474 CD2 TYR A 28 -7.346 -6.511 -6.952 1.00 0.00 C ATOM 475 CE1 TYR A 28 -9.481 -8.229 -7.527 1.00 0.00 C ATOM 476 CE2 TYR A 28 -8.591 -5.984 -7.309 1.00 0.00 C ATOM 477 CZ TYR A 28 -9.659 -6.842 -7.597 1.00 0.00 C ATOM 478 OH TYR A 28 -10.886 -6.321 -7.950 1.00 0.00 O ATOM 0 H TYR A 28 -3.675 -8.564 -5.303 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.254 -7.841 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.024 -7.800 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.662 -9.422 -7.010 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.095 -9.827 -7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.523 -5.848 -6.729 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.305 -8.891 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.729 -4.914 -7.363 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.838 -5.342 -7.949 1.00 0.00 H new ATOM 488 N GLU A 29 -5.684 -11.061 -4.571 1.00 0.00 N ATOM 489 CA GLU A 29 -6.240 -12.366 -4.234 1.00 0.00 C ATOM 490 C GLU A 29 -6.307 -12.559 -2.719 1.00 0.00 C ATOM 491 O GLU A 29 -6.750 -13.605 -2.240 1.00 0.00 O ATOM 492 CB GLU A 29 -5.379 -13.472 -4.852 1.00 0.00 C ATOM 493 CG GLU A 29 -4.820 -13.007 -6.203 1.00 0.00 C ATOM 494 CD GLU A 29 -4.534 -14.213 -7.095 1.00 0.00 C ATOM 495 OE1 GLU A 29 -5.464 -14.700 -7.718 1.00 0.00 O ATOM 496 OE2 GLU A 29 -3.389 -14.633 -7.140 1.00 0.00 O ATOM 0 H GLU A 29 -4.684 -11.065 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.252 -12.419 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.561 -13.727 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.974 -14.375 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.534 -12.344 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.906 -12.433 -6.049 1.00 0.00 H new ATOM 503 N ASP A 30 -5.872 -11.548 -1.971 1.00 0.00 N ATOM 504 CA ASP A 30 -5.893 -11.622 -0.512 1.00 0.00 C ATOM 505 C ASP A 30 -7.295 -11.341 0.022 1.00 0.00 C ATOM 506 O ASP A 30 -8.217 -11.058 -0.745 1.00 0.00 O ATOM 507 CB ASP A 30 -4.906 -10.608 0.080 1.00 0.00 C ATOM 508 CG ASP A 30 -4.502 -11.028 1.492 1.00 0.00 C ATOM 509 OD1 ASP A 30 -3.759 -11.987 1.615 1.00 0.00 O ATOM 510 OD2 ASP A 30 -4.942 -10.383 2.431 1.00 0.00 O ATOM 0 H ASP A 30 -5.503 -10.674 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.600 -12.629 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.022 -10.538 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.361 -9.618 0.103 1.00 0.00 H new ATOM 515 N HIS A 31 -7.443 -11.422 1.342 1.00 0.00 N ATOM 516 CA HIS A 31 -8.732 -11.178 1.985 1.00 0.00 C ATOM 517 C HIS A 31 -8.578 -11.171 3.507 1.00 0.00 C ATOM 518 O HIS A 31 -9.532 -11.434 4.242 1.00 0.00 O ATOM 519 CB HIS A 31 -9.735 -12.263 1.574 1.00 0.00 C ATOM 520 CG HIS A 31 -11.133 -11.817 1.905 1.00 0.00 C ATOM 521 ND1 HIS A 31 -12.030 -12.639 2.570 1.00 0.00 N ATOM 522 CD2 HIS A 31 -11.804 -10.640 1.676 1.00 0.00 C ATOM 523 CE1 HIS A 31 -13.178 -11.953 2.716 1.00 0.00 C ATOM 524 NE2 HIS A 31 -13.094 -10.729 2.188 1.00 0.00 N ATOM 0 H HIS A 31 -6.688 -11.654 1.987 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.100 -10.204 1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.651 -12.463 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.509 -13.195 2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.392 -9.777 1.174 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.060 -12.344 3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.820 -10.013 2.165 1.00 0.00 H new ATOM 533 N SER A 32 -7.368 -10.864 3.971 1.00 0.00 N ATOM 534 CA SER A 32 -7.085 -10.817 5.404 1.00 0.00 C ATOM 535 C SER A 32 -6.193 -9.621 5.739 1.00 0.00 C ATOM 536 O SER A 32 -5.866 -9.385 6.903 1.00 0.00 O ATOM 537 CB SER A 32 -6.395 -12.113 5.837 1.00 0.00 C ATOM 538 OG SER A 32 -7.375 -13.122 6.038 1.00 0.00 O ATOM 0 H SER A 32 -6.569 -10.644 3.376 1.00 0.00 H new ATOM 0 HA SER A 32 -8.027 -10.709 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.681 -12.430 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.831 -11.949 6.755 1.00 0.00 H new ATOM 0 HG SER A 32 -8.203 -12.870 5.578 1.00 0.00 H new ATOM 544 N PHE A 33 -5.806 -8.870 4.708 1.00 0.00 N ATOM 545 CA PHE A 33 -4.959 -7.697 4.885 1.00 0.00 C ATOM 546 C PHE A 33 -5.538 -6.769 5.954 1.00 0.00 C ATOM 547 O PHE A 33 -6.749 -6.553 6.002 1.00 0.00 O ATOM 548 CB PHE A 33 -4.846 -6.942 3.556 1.00 0.00 C ATOM 549 CG PHE A 33 -3.501 -6.262 3.466 1.00 0.00 C ATOM 550 CD1 PHE A 33 -2.363 -7.000 3.118 1.00 0.00 C ATOM 551 CD2 PHE A 33 -3.391 -4.889 3.728 1.00 0.00 C ATOM 552 CE1 PHE A 33 -1.117 -6.368 3.035 1.00 0.00 C ATOM 553 CE2 PHE A 33 -2.146 -4.257 3.643 1.00 0.00 C ATOM 554 CZ PHE A 33 -1.009 -4.997 3.296 1.00 0.00 C ATOM 0 H PHE A 33 -6.068 -9.056 3.740 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.971 -8.026 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.970 -7.634 2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.643 -6.203 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.447 -8.057 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.268 -4.319 3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.239 -6.938 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.062 -3.199 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.048 -4.509 3.230 1.00 0.00 H new ATOM 564 N PRO A 34 -4.701 -6.219 6.802 1.00 0.00 N ATOM 565 CA PRO A 34 -5.145 -5.290 7.882 1.00 0.00 C ATOM 566 C PRO A 34 -5.536 -3.920 7.325 1.00 0.00 C ATOM 567 O PRO A 34 -4.929 -2.900 7.657 1.00 0.00 O ATOM 568 CB PRO A 34 -3.923 -5.196 8.800 1.00 0.00 C ATOM 569 CG PRO A 34 -2.748 -5.487 7.928 1.00 0.00 C ATOM 570 CD PRO A 34 -3.241 -6.426 6.826 1.00 0.00 C ATOM 0 HA PRO A 34 -6.036 -5.645 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.844 -4.206 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.991 -5.912 9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.345 -4.568 7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.946 -5.951 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.788 -6.184 5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.989 -7.464 7.045 1.00 0.00 H new ATOM 578 N LYS A 35 -6.556 -3.915 6.470 1.00 0.00 N ATOM 579 CA LYS A 35 -7.039 -2.677 5.855 1.00 0.00 C ATOM 580 C LYS A 35 -7.423 -1.656 6.924 1.00 0.00 C ATOM 581 O LYS A 35 -7.415 -0.448 6.673 1.00 0.00 O ATOM 582 CB LYS A 35 -8.256 -2.959 4.959 1.00 0.00 C ATOM 583 CG LYS A 35 -8.291 -4.440 4.567 1.00 0.00 C ATOM 584 CD LYS A 35 -9.280 -4.648 3.415 1.00 0.00 C ATOM 585 CE LYS A 35 -9.578 -6.144 3.256 1.00 0.00 C ATOM 586 NZ LYS A 35 -8.304 -6.922 3.296 1.00 0.00 N ATOM 0 H LYS A 35 -7.065 -4.752 6.186 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.232 -2.269 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.173 -2.692 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.209 -2.339 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.296 -4.770 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.584 -5.046 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.203 -4.102 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.865 -4.249 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.244 -6.478 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.094 -6.323 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.481 -7.894 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.603 -6.472 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.940 -6.943 4.270 1.00 0.00 H new ATOM 600 N THR A 36 -7.765 -2.147 8.112 1.00 0.00 N ATOM 601 CA THR A 36 -8.159 -1.273 9.212 1.00 0.00 C ATOM 602 C THR A 36 -6.978 -1.009 10.147 1.00 0.00 C ATOM 603 O THR A 36 -7.156 -0.848 11.355 1.00 0.00 O ATOM 604 CB THR A 36 -9.316 -1.910 9.993 1.00 0.00 C ATOM 605 OG1 THR A 36 -9.683 -1.065 11.075 1.00 0.00 O ATOM 606 CG2 THR A 36 -8.892 -3.281 10.534 1.00 0.00 C ATOM 0 H THR A 36 -7.777 -3.142 8.337 1.00 0.00 H new ATOM 0 HA THR A 36 -8.486 -0.320 8.797 1.00 0.00 H new ATOM 0 HB THR A 36 -10.168 -2.038 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.902 -0.905 11.645 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.719 -3.726 11.087 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.620 -3.932 9.703 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.035 -3.161 11.197 1.00 0.00 H new ATOM 614 N SER A 37 -5.773 -0.963 9.579 1.00 0.00 N ATOM 615 CA SER A 37 -4.571 -0.718 10.368 1.00 0.00 C ATOM 616 C SER A 37 -3.337 -0.737 9.475 1.00 0.00 C ATOM 617 O SER A 37 -2.808 -1.802 9.151 1.00 0.00 O ATOM 618 CB SER A 37 -4.424 -1.788 11.452 1.00 0.00 C ATOM 619 OG SER A 37 -3.275 -1.503 12.241 1.00 0.00 O ATOM 0 H SER A 37 -5.606 -1.092 8.581 1.00 0.00 H new ATOM 0 HA SER A 37 -4.662 0.263 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.314 -1.810 12.080 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.331 -2.774 10.996 1.00 0.00 H new ATOM 0 HG SER A 37 -3.179 -2.186 12.937 1.00 0.00 H new ATOM 625 N THR A 38 -2.876 0.451 9.088 1.00 0.00 N ATOM 626 CA THR A 38 -1.696 0.557 8.242 1.00 0.00 C ATOM 627 C THR A 38 -0.492 0.972 9.080 1.00 0.00 C ATOM 628 O THR A 38 -0.388 2.120 9.516 1.00 0.00 O ATOM 629 CB THR A 38 -1.936 1.581 7.121 1.00 0.00 C ATOM 630 OG1 THR A 38 -0.689 1.980 6.567 1.00 0.00 O ATOM 631 CG2 THR A 38 -2.668 2.813 7.672 1.00 0.00 C ATOM 0 H THR A 38 -3.298 1.343 9.345 1.00 0.00 H new ATOM 0 HA THR A 38 -1.497 -0.415 7.791 1.00 0.00 H new ATOM 0 HB THR A 38 -2.551 1.120 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.843 2.632 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.831 3.530 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.629 2.510 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.065 3.276 8.453 1.00 0.00 H new ATOM 639 N ASP A 39 0.412 0.027 9.293 1.00 0.00 N ATOM 640 CA ASP A 39 1.614 0.279 10.071 1.00 0.00 C ATOM 641 C ASP A 39 2.776 -0.515 9.482 1.00 0.00 C ATOM 642 O ASP A 39 2.669 -1.723 9.286 1.00 0.00 O ATOM 643 CB ASP A 39 1.362 -0.110 11.532 1.00 0.00 C ATOM 644 CG ASP A 39 2.669 -0.444 12.253 1.00 0.00 C ATOM 645 OD1 ASP A 39 3.632 0.285 12.076 1.00 0.00 O ATOM 646 OD2 ASP A 39 2.683 -1.420 12.982 1.00 0.00 O ATOM 0 H ASP A 39 0.334 -0.925 8.936 1.00 0.00 H new ATOM 0 HA ASP A 39 1.870 1.338 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.859 0.709 12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.693 -0.970 11.571 1.00 0.00 H new ATOM 651 N TYR A 40 3.879 0.167 9.190 1.00 0.00 N ATOM 652 CA TYR A 40 5.042 -0.496 8.604 1.00 0.00 C ATOM 653 C TYR A 40 5.376 -1.793 9.342 1.00 0.00 C ATOM 654 O TYR A 40 5.591 -2.825 8.713 1.00 0.00 O ATOM 655 CB TYR A 40 6.256 0.437 8.634 1.00 0.00 C ATOM 656 CG TYR A 40 7.423 -0.233 7.942 1.00 0.00 C ATOM 657 CD1 TYR A 40 7.466 -0.290 6.543 1.00 0.00 C ATOM 658 CD2 TYR A 40 8.460 -0.798 8.698 1.00 0.00 C ATOM 659 CE1 TYR A 40 8.544 -0.911 5.900 1.00 0.00 C ATOM 660 CE2 TYR A 40 9.536 -1.420 8.053 1.00 0.00 C ATOM 661 CZ TYR A 40 9.578 -1.476 6.655 1.00 0.00 C ATOM 662 OH TYR A 40 10.639 -2.089 6.021 1.00 0.00 O ATOM 0 H TYR A 40 3.993 1.168 9.347 1.00 0.00 H new ATOM 0 HA TYR A 40 4.796 -0.742 7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.017 1.378 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.519 0.677 9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.668 0.145 5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.429 -0.753 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.577 -0.954 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.334 -1.857 8.635 1.00 0.00 H new ATOM 0 HH TYR A 40 10.414 -2.242 5.080 1.00 0.00 H new ATOM 672 N HIS A 41 5.423 -1.736 10.671 1.00 0.00 N ATOM 673 CA HIS A 41 5.743 -2.924 11.461 1.00 0.00 C ATOM 674 C HIS A 41 4.686 -4.010 11.268 1.00 0.00 C ATOM 675 O HIS A 41 5.013 -5.164 10.987 1.00 0.00 O ATOM 676 CB HIS A 41 5.839 -2.562 12.945 1.00 0.00 C ATOM 677 CG HIS A 41 6.887 -1.501 13.141 1.00 0.00 C ATOM 678 ND1 HIS A 41 6.667 -0.387 13.935 1.00 0.00 N ATOM 679 CD2 HIS A 41 8.166 -1.371 12.656 1.00 0.00 C ATOM 680 CE1 HIS A 41 7.788 0.358 13.907 1.00 0.00 C ATOM 681 NE2 HIS A 41 8.732 -0.196 13.142 1.00 0.00 N ATOM 0 H HIS A 41 5.247 -0.893 11.218 1.00 0.00 H new ATOM 0 HA HIS A 41 6.704 -3.307 11.118 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.874 -2.205 13.305 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.090 -3.447 13.530 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.657 -2.073 11.998 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.909 1.290 14.439 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.667 0.165 12.954 1.00 0.00 H new ATOM 690 N GLU A 42 3.422 -3.633 11.425 1.00 0.00 N ATOM 691 CA GLU A 42 2.317 -4.576 11.272 1.00 0.00 C ATOM 692 C GLU A 42 2.285 -5.159 9.860 1.00 0.00 C ATOM 693 O GLU A 42 2.162 -6.370 9.679 1.00 0.00 O ATOM 694 CB GLU A 42 0.990 -3.872 11.566 1.00 0.00 C ATOM 695 CG GLU A 42 -0.116 -4.915 11.739 1.00 0.00 C ATOM 696 CD GLU A 42 -1.421 -4.232 12.140 1.00 0.00 C ATOM 697 OE1 GLU A 42 -1.466 -3.675 13.224 1.00 0.00 O ATOM 698 OE2 GLU A 42 -2.357 -4.279 11.358 1.00 0.00 O ATOM 0 H GLU A 42 3.136 -2.682 11.658 1.00 0.00 H new ATOM 0 HA GLU A 42 2.465 -5.392 11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.079 -3.268 12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.739 -3.192 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.256 -5.466 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.173 -5.640 12.500 1.00 0.00 H new ATOM 705 N ILE A 43 2.386 -4.284 8.864 1.00 0.00 N ATOM 706 CA ILE A 43 2.358 -4.710 7.469 1.00 0.00 C ATOM 707 C ILE A 43 3.586 -5.557 7.136 1.00 0.00 C ATOM 708 O ILE A 43 3.462 -6.645 6.573 1.00 0.00 O ATOM 709 CB ILE A 43 2.309 -3.481 6.552 1.00 0.00 C ATOM 710 CG1 ILE A 43 1.136 -2.572 6.967 1.00 0.00 C ATOM 711 CG2 ILE A 43 2.135 -3.930 5.096 1.00 0.00 C ATOM 712 CD1 ILE A 43 -0.191 -3.126 6.437 1.00 0.00 C ATOM 0 H ILE A 43 2.488 -3.278 8.997 1.00 0.00 H new ATOM 0 HA ILE A 43 1.467 -5.317 7.310 1.00 0.00 H new ATOM 0 HB ILE A 43 3.241 -2.924 6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.096 -2.495 8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.295 -1.565 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.101 -3.055 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.974 -4.563 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.206 -4.492 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.007 -2.470 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.154 -3.179 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.357 -4.124 6.844 1.00 0.00 H new ATOM 724 N SER A 44 4.767 -5.053 7.486 1.00 0.00 N ATOM 725 CA SER A 44 6.007 -5.780 7.218 1.00 0.00 C ATOM 726 C SER A 44 5.914 -7.211 7.745 1.00 0.00 C ATOM 727 O SER A 44 6.293 -8.160 7.056 1.00 0.00 O ATOM 728 CB SER A 44 7.194 -5.065 7.870 1.00 0.00 C ATOM 729 OG SER A 44 7.035 -5.078 9.282 1.00 0.00 O ATOM 0 H SER A 44 4.892 -4.154 7.951 1.00 0.00 H new ATOM 0 HA SER A 44 6.158 -5.811 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.126 -5.558 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.257 -4.038 7.509 1.00 0.00 H new ATOM 0 HG SER A 44 6.100 -4.890 9.508 1.00 0.00 H new ATOM 735 N SER A 45 5.404 -7.357 8.969 1.00 0.00 N ATOM 736 CA SER A 45 5.258 -8.672 9.580 1.00 0.00 C ATOM 737 C SER A 45 4.273 -9.523 8.786 1.00 0.00 C ATOM 738 O SER A 45 4.431 -10.738 8.690 1.00 0.00 O ATOM 739 CB SER A 45 4.768 -8.526 11.022 1.00 0.00 C ATOM 740 OG SER A 45 3.353 -8.383 11.033 1.00 0.00 O ATOM 0 H SER A 45 5.087 -6.582 9.552 1.00 0.00 H new ATOM 0 HA SER A 45 6.230 -9.165 9.577 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.060 -9.399 11.606 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.235 -7.659 11.489 1.00 0.00 H new ATOM 0 HG SER A 45 3.090 -7.687 10.396 1.00 0.00 H new ATOM 746 N TYR A 46 3.260 -8.871 8.219 1.00 0.00 N ATOM 747 CA TYR A 46 2.250 -9.570 7.433 1.00 0.00 C ATOM 748 C TYR A 46 2.905 -10.288 6.258 1.00 0.00 C ATOM 749 O TYR A 46 2.511 -11.396 5.895 1.00 0.00 O ATOM 750 CB TYR A 46 1.209 -8.567 6.923 1.00 0.00 C ATOM 751 CG TYR A 46 0.020 -9.301 6.348 1.00 0.00 C ATOM 752 CD1 TYR A 46 -1.034 -9.693 7.183 1.00 0.00 C ATOM 753 CD2 TYR A 46 -0.032 -9.585 4.978 1.00 0.00 C ATOM 754 CE1 TYR A 46 -2.137 -10.369 6.649 1.00 0.00 C ATOM 755 CE2 TYR A 46 -1.136 -10.261 4.443 1.00 0.00 C ATOM 756 CZ TYR A 46 -2.188 -10.653 5.279 1.00 0.00 C ATOM 757 OH TYR A 46 -3.276 -11.319 4.752 1.00 0.00 O ATOM 0 H TYR A 46 3.118 -7.863 8.290 1.00 0.00 H new ATOM 0 HA TYR A 46 1.756 -10.310 8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.887 -7.919 7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.653 -7.925 6.162 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.996 -9.473 8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.780 -9.283 4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.949 -10.672 7.294 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.176 -10.480 3.386 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.643 -10.804 4.003 1.00 0.00 H new ATOM 767 N LEU A 47 3.919 -9.652 5.681 1.00 0.00 N ATOM 768 CA LEU A 47 4.640 -10.239 4.557 1.00 0.00 C ATOM 769 C LEU A 47 5.562 -11.356 5.048 1.00 0.00 C ATOM 770 O LEU A 47 5.562 -12.456 4.497 1.00 0.00 O ATOM 771 CB LEU A 47 5.464 -9.161 3.843 1.00 0.00 C ATOM 772 CG LEU A 47 4.551 -7.996 3.444 1.00 0.00 C ATOM 773 CD1 LEU A 47 5.388 -6.731 3.247 1.00 0.00 C ATOM 774 CD2 LEU A 47 3.829 -8.333 2.137 1.00 0.00 C ATOM 0 H LEU A 47 4.259 -8.735 5.971 1.00 0.00 H new ATOM 0 HA LEU A 47 3.917 -10.659 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.260 -8.805 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.942 -9.581 2.958 1.00 0.00 H new ATOM 0 HG LEU A 47 3.818 -7.829 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.737 -5.904 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.901 -6.486 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.123 -6.900 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.180 -7.503 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.563 -8.504 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.229 -9.232 2.274 1.00 0.00 H new ATOM 786 N GLU A 48 6.337 -11.061 6.090 1.00 0.00 N ATOM 787 CA GLU A 48 7.261 -12.043 6.660 1.00 0.00 C ATOM 788 C GLU A 48 6.495 -13.228 7.243 1.00 0.00 C ATOM 789 O GLU A 48 7.039 -14.323 7.387 1.00 0.00 O ATOM 790 CB GLU A 48 8.104 -11.389 7.758 1.00 0.00 C ATOM 791 CG GLU A 48 8.982 -10.297 7.145 1.00 0.00 C ATOM 792 CD GLU A 48 9.896 -9.697 8.211 1.00 0.00 C ATOM 793 OE1 GLU A 48 10.900 -10.319 8.521 1.00 0.00 O ATOM 794 OE2 GLU A 48 9.579 -8.625 8.700 1.00 0.00 O ATOM 0 H GLU A 48 6.345 -10.154 6.556 1.00 0.00 H new ATOM 0 HA GLU A 48 7.913 -12.404 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.456 -10.962 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.726 -12.138 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.580 -10.713 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.356 -9.517 6.711 1.00 0.00 H new ATOM 801 N LEU A 49 5.226 -12.997 7.568 1.00 0.00 N ATOM 802 CA LEU A 49 4.376 -14.045 8.130 1.00 0.00 C ATOM 803 C LEU A 49 4.142 -15.154 7.107 1.00 0.00 C ATOM 804 O LEU A 49 3.636 -16.225 7.444 1.00 0.00 O ATOM 805 CB LEU A 49 3.030 -13.455 8.563 1.00 0.00 C ATOM 806 CG LEU A 49 3.118 -12.975 10.016 1.00 0.00 C ATOM 807 CD1 LEU A 49 2.105 -11.852 10.246 1.00 0.00 C ATOM 808 CD2 LEU A 49 2.808 -14.141 10.962 1.00 0.00 C ATOM 0 H LEU A 49 4.763 -12.095 7.453 1.00 0.00 H new ATOM 0 HA LEU A 49 4.882 -14.467 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.760 -12.624 7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.245 -14.205 8.465 1.00 0.00 H new ATOM 0 HG LEU A 49 4.124 -12.604 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.168 -11.511 11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.325 -11.021 9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.099 -12.223 10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.871 -13.798 11.995 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.803 -14.513 10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.530 -14.942 10.801 1.00 0.00 H new ATOM 820 N ASN A 50 4.508 -14.885 5.855 1.00 0.00 N ATOM 821 CA ASN A 50 4.327 -15.863 4.785 1.00 0.00 C ATOM 822 C ASN A 50 5.416 -15.717 3.722 1.00 0.00 C ATOM 823 O ASN A 50 5.573 -14.660 3.107 1.00 0.00 O ATOM 824 CB ASN A 50 2.948 -15.683 4.143 1.00 0.00 C ATOM 825 CG ASN A 50 2.587 -16.918 3.322 1.00 0.00 C ATOM 826 OD1 ASN A 50 3.404 -17.408 2.543 1.00 0.00 O ATOM 827 ND2 ASN A 50 1.406 -17.455 3.453 1.00 0.00 N ATOM 0 H ASN A 50 4.929 -14.004 5.558 1.00 0.00 H new ATOM 0 HA ASN A 50 4.399 -16.861 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.197 -15.518 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.948 -14.799 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.159 -18.282 2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.730 -17.048 4.099 1.00 0.00 H new ATOM 834 N ALA A 51 6.172 -16.798 3.531 1.00 0.00 N ATOM 835 CA ALA A 51 7.269 -16.831 2.562 1.00 0.00 C ATOM 836 C ALA A 51 6.816 -16.401 1.165 1.00 0.00 C ATOM 837 O ALA A 51 7.633 -15.976 0.347 1.00 0.00 O ATOM 838 CB ALA A 51 7.849 -18.245 2.491 1.00 0.00 C ATOM 0 H ALA A 51 6.043 -17.672 4.041 1.00 0.00 H new ATOM 0 HA ALA A 51 8.027 -16.125 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.665 -18.268 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.224 -18.534 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.071 -18.942 2.181 1.00 0.00 H new ATOM 844 N ASP A 52 5.520 -16.529 0.891 1.00 0.00 N ATOM 845 CA ASP A 52 4.989 -16.164 -0.421 1.00 0.00 C ATOM 846 C ASP A 52 5.295 -14.703 -0.747 1.00 0.00 C ATOM 847 O ASP A 52 5.480 -14.347 -1.912 1.00 0.00 O ATOM 848 CB ASP A 52 3.475 -16.394 -0.453 1.00 0.00 C ATOM 849 CG ASP A 52 3.158 -17.882 -0.285 1.00 0.00 C ATOM 850 OD1 ASP A 52 3.975 -18.697 -0.686 1.00 0.00 O ATOM 851 OD2 ASP A 52 2.100 -18.184 0.241 1.00 0.00 O ATOM 0 H ASP A 52 4.825 -16.878 1.551 1.00 0.00 H new ATOM 0 HA ASP A 52 5.469 -16.793 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.997 -15.822 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.066 -16.033 -1.396 1.00 0.00 H new ATOM 856 N TYR A 53 5.356 -13.866 0.285 1.00 0.00 N ATOM 857 CA TYR A 53 5.651 -12.447 0.094 1.00 0.00 C ATOM 858 C TYR A 53 7.144 -12.181 0.301 1.00 0.00 C ATOM 859 O TYR A 53 7.685 -11.193 -0.195 1.00 0.00 O ATOM 860 CB TYR A 53 4.829 -11.606 1.074 1.00 0.00 C ATOM 861 CG TYR A 53 3.355 -11.852 0.833 1.00 0.00 C ATOM 862 CD1 TYR A 53 2.757 -13.030 1.300 1.00 0.00 C ATOM 863 CD2 TYR A 53 2.589 -10.906 0.142 1.00 0.00 C ATOM 864 CE1 TYR A 53 1.394 -13.261 1.075 1.00 0.00 C ATOM 865 CE2 TYR A 53 1.226 -11.136 -0.082 1.00 0.00 C ATOM 866 CZ TYR A 53 0.629 -12.314 0.386 1.00 0.00 C ATOM 867 OH TYR A 53 -0.715 -12.541 0.164 1.00 0.00 O ATOM 0 H TYR A 53 5.207 -14.142 1.256 1.00 0.00 H new ATOM 0 HA TYR A 53 5.385 -12.168 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.089 -11.865 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.059 -10.548 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.347 -13.760 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.049 -9.998 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.934 -14.170 1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.635 -10.406 -0.615 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.098 -11.784 -0.327 1.00 0.00 H new ATOM 877 N LEU A 54 7.800 -13.077 1.038 1.00 0.00 N ATOM 878 CA LEU A 54 9.231 -12.949 1.310 1.00 0.00 C ATOM 879 C LEU A 54 10.032 -12.813 0.012 1.00 0.00 C ATOM 880 O LEU A 54 11.127 -12.248 0.005 1.00 0.00 O ATOM 881 CB LEU A 54 9.718 -14.177 2.093 1.00 0.00 C ATOM 882 CG LEU A 54 11.214 -14.045 2.415 1.00 0.00 C ATOM 883 CD1 LEU A 54 11.475 -12.743 3.180 1.00 0.00 C ATOM 884 CD2 LEU A 54 11.656 -15.234 3.273 1.00 0.00 C ATOM 0 H LEU A 54 7.364 -13.898 1.457 1.00 0.00 H new ATOM 0 HA LEU A 54 9.387 -12.047 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.148 -14.278 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.543 -15.081 1.510 1.00 0.00 H new ATOM 0 HG LEU A 54 11.779 -14.031 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.539 -12.659 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.164 -11.894 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.908 -12.748 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.718 -15.142 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.084 -15.246 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.482 -16.161 2.727 1.00 0.00 H new ATOM 896 N HIS A 55 9.488 -13.348 -1.079 1.00 0.00 N ATOM 897 CA HIS A 55 10.170 -13.302 -2.372 1.00 0.00 C ATOM 898 C HIS A 55 9.920 -11.980 -3.105 1.00 0.00 C ATOM 899 O HIS A 55 10.312 -11.828 -4.263 1.00 0.00 O ATOM 900 CB HIS A 55 9.692 -14.470 -3.241 1.00 0.00 C ATOM 901 CG HIS A 55 10.668 -14.705 -4.362 1.00 0.00 C ATOM 902 ND1 HIS A 55 12.037 -14.762 -4.153 1.00 0.00 N ATOM 903 CD2 HIS A 55 10.486 -14.903 -5.709 1.00 0.00 C ATOM 904 CE1 HIS A 55 12.620 -14.984 -5.345 1.00 0.00 C ATOM 905 NE2 HIS A 55 11.720 -15.078 -6.327 1.00 0.00 N ATOM 0 H HIS A 55 8.582 -13.816 -1.095 1.00 0.00 H new ATOM 0 HA HIS A 55 11.242 -13.381 -2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.597 -15.371 -2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.704 -14.253 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.530 -14.920 -6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.686 -15.075 -5.490 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.899 -15.243 -7.318 1.00 0.00 H new ATOM 914 N THR A 56 9.273 -11.026 -2.437 1.00 0.00 N ATOM 915 CA THR A 56 8.994 -9.732 -3.059 1.00 0.00 C ATOM 916 C THR A 56 9.033 -8.605 -2.028 1.00 0.00 C ATOM 917 O THR A 56 8.383 -7.572 -2.196 1.00 0.00 O ATOM 918 CB THR A 56 7.623 -9.770 -3.747 1.00 0.00 C ATOM 919 OG1 THR A 56 7.386 -8.535 -4.406 1.00 0.00 O ATOM 920 CG2 THR A 56 6.525 -10.016 -2.709 1.00 0.00 C ATOM 0 H THR A 56 8.936 -11.121 -1.479 1.00 0.00 H new ATOM 0 HA THR A 56 9.767 -9.536 -3.802 1.00 0.00 H new ATOM 0 HB THR A 56 7.613 -10.579 -4.477 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.451 -8.271 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.555 -10.042 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.703 -10.969 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.535 -9.213 -1.972 1.00 0.00 H new ATOM 928 N MET A 57 9.808 -8.803 -0.965 1.00 0.00 N ATOM 929 CA MET A 57 9.930 -7.790 0.081 1.00 0.00 C ATOM 930 C MET A 57 10.466 -6.489 -0.505 1.00 0.00 C ATOM 931 O MET A 57 10.039 -5.400 -0.123 1.00 0.00 O ATOM 932 CB MET A 57 10.884 -8.279 1.174 1.00 0.00 C ATOM 933 CG MET A 57 10.306 -9.527 1.846 1.00 0.00 C ATOM 934 SD MET A 57 8.637 -9.179 2.453 1.00 0.00 S ATOM 935 CE MET A 57 9.068 -7.797 3.538 1.00 0.00 C ATOM 0 H MET A 57 10.357 -9.648 -0.805 1.00 0.00 H new ATOM 0 HA MET A 57 8.943 -7.614 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.860 -8.505 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.037 -7.494 1.914 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.280 -10.354 1.137 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.946 -9.836 2.672 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.373 -7.762 4.377 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.083 -7.931 3.913 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.009 -6.863 2.979 1.00 0.00 H new ATOM 945 N ALA A 58 11.405 -6.622 -1.436 1.00 0.00 N ATOM 946 CA ALA A 58 12.013 -5.463 -2.085 1.00 0.00 C ATOM 947 C ALA A 58 10.957 -4.612 -2.782 1.00 0.00 C ATOM 948 O ALA A 58 11.079 -3.388 -2.847 1.00 0.00 O ATOM 949 CB ALA A 58 13.054 -5.926 -3.106 1.00 0.00 C ATOM 0 H ALA A 58 11.763 -7.521 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 58 12.496 -4.857 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.504 -5.057 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.829 -6.502 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.572 -6.549 -3.860 1.00 0.00 H new ATOM 955 N THR A 59 9.924 -5.268 -3.307 1.00 0.00 N ATOM 956 CA THR A 59 8.855 -4.562 -4.005 1.00 0.00 C ATOM 957 C THR A 59 7.965 -3.820 -3.012 1.00 0.00 C ATOM 958 O THR A 59 7.579 -2.675 -3.251 1.00 0.00 O ATOM 959 CB THR A 59 8.014 -5.557 -4.810 1.00 0.00 C ATOM 960 OG1 THR A 59 8.863 -6.312 -5.664 1.00 0.00 O ATOM 961 CG2 THR A 59 6.982 -4.803 -5.654 1.00 0.00 C ATOM 0 H THR A 59 9.806 -6.280 -3.262 1.00 0.00 H new ATOM 0 HA THR A 59 9.304 -3.835 -4.682 1.00 0.00 H new ATOM 0 HB THR A 59 7.496 -6.227 -4.123 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.678 -7.267 -5.548 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.387 -5.516 -6.224 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.328 -4.226 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.495 -4.129 -6.340 1.00 0.00 H new ATOM 969 N PHE A 60 7.646 -4.475 -1.896 1.00 0.00 N ATOM 970 CA PHE A 60 6.804 -3.859 -0.875 1.00 0.00 C ATOM 971 C PHE A 60 7.511 -2.654 -0.260 1.00 0.00 C ATOM 972 O PHE A 60 6.944 -1.564 -0.182 1.00 0.00 O ATOM 973 CB PHE A 60 6.474 -4.883 0.219 1.00 0.00 C ATOM 974 CG PHE A 60 6.068 -4.163 1.488 1.00 0.00 C ATOM 975 CD1 PHE A 60 4.828 -3.516 1.562 1.00 0.00 C ATOM 976 CD2 PHE A 60 6.934 -4.145 2.589 1.00 0.00 C ATOM 977 CE1 PHE A 60 4.455 -2.851 2.736 1.00 0.00 C ATOM 978 CE2 PHE A 60 6.560 -3.480 3.763 1.00 0.00 C ATOM 979 CZ PHE A 60 5.320 -2.833 3.837 1.00 0.00 C ATOM 0 H PHE A 60 7.955 -5.422 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 60 5.879 -3.522 -1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.668 -5.537 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.340 -5.517 0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.160 -3.530 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.890 -4.644 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.499 -2.351 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.228 -3.466 4.612 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.031 -2.321 4.743 1.00 0.00 H new ATOM 989 N ASP A 61 8.755 -2.859 0.167 1.00 0.00 N ATOM 990 CA ASP A 61 9.538 -1.786 0.766 1.00 0.00 C ATOM 991 C ASP A 61 9.578 -0.580 -0.166 1.00 0.00 C ATOM 992 O ASP A 61 9.391 0.559 0.265 1.00 0.00 O ATOM 993 CB ASP A 61 10.961 -2.277 1.041 1.00 0.00 C ATOM 994 CG ASP A 61 10.963 -3.241 2.226 1.00 0.00 C ATOM 995 OD1 ASP A 61 10.567 -2.827 3.303 1.00 0.00 O ATOM 996 OD2 ASP A 61 11.362 -4.379 2.039 1.00 0.00 O ATOM 0 H ASP A 61 9.239 -3.755 0.109 1.00 0.00 H new ATOM 0 HA ASP A 61 9.071 -1.489 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.360 -2.774 0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.613 -1.429 1.251 1.00 0.00 H new ATOM 1001 N GLU A 62 9.815 -0.847 -1.449 1.00 0.00 N ATOM 1002 CA GLU A 62 9.872 0.210 -2.452 1.00 0.00 C ATOM 1003 C GLU A 62 8.504 0.866 -2.601 1.00 0.00 C ATOM 1004 O GLU A 62 8.402 2.087 -2.734 1.00 0.00 O ATOM 1005 CB GLU A 62 10.327 -0.380 -3.794 1.00 0.00 C ATOM 1006 CG GLU A 62 10.066 0.618 -4.929 1.00 0.00 C ATOM 1007 CD GLU A 62 8.686 0.372 -5.541 1.00 0.00 C ATOM 1008 OE1 GLU A 62 8.442 -0.739 -5.983 1.00 0.00 O ATOM 1009 OE2 GLU A 62 7.896 1.300 -5.560 1.00 0.00 O ATOM 0 H GLU A 62 9.970 -1.786 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 62 10.587 0.969 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.389 -0.623 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.795 -1.311 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.126 1.637 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.835 0.518 -5.695 1.00 0.00 H new ATOM 1016 N ALA A 63 7.455 0.047 -2.571 1.00 0.00 N ATOM 1017 CA ALA A 63 6.095 0.558 -2.698 1.00 0.00 C ATOM 1018 C ALA A 63 5.793 1.530 -1.562 1.00 0.00 C ATOM 1019 O ALA A 63 5.270 2.621 -1.789 1.00 0.00 O ATOM 1020 CB ALA A 63 5.096 -0.602 -2.666 1.00 0.00 C ATOM 0 H ALA A 63 7.521 -0.965 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 63 6.003 1.083 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.083 -0.212 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.302 -1.283 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.191 -1.138 -1.722 1.00 0.00 H new ATOM 1026 N TRP A 64 6.137 1.128 -0.340 1.00 0.00 N ATOM 1027 CA TRP A 64 5.910 1.974 0.828 1.00 0.00 C ATOM 1028 C TRP A 64 6.559 3.341 0.627 1.00 0.00 C ATOM 1029 O TRP A 64 5.929 4.375 0.854 1.00 0.00 O ATOM 1030 CB TRP A 64 6.479 1.309 2.084 1.00 0.00 C ATOM 1031 CG TRP A 64 5.964 2.018 3.297 1.00 0.00 C ATOM 1032 CD1 TRP A 64 6.564 3.075 3.892 1.00 0.00 C ATOM 1033 CD2 TRP A 64 4.757 1.745 4.069 1.00 0.00 C ATOM 1034 NE1 TRP A 64 5.802 3.470 4.976 1.00 0.00 N ATOM 1035 CE2 TRP A 64 4.680 2.680 5.128 1.00 0.00 C ATOM 1036 CE3 TRP A 64 3.734 0.787 3.953 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 3.624 2.666 6.040 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 2.670 0.769 4.872 1.00 0.00 C ATOM 1039 CH2 TRP A 64 2.615 1.708 5.912 1.00 0.00 C ATOM 0 H TRP A 64 6.571 0.228 -0.134 1.00 0.00 H new ATOM 0 HA TRP A 64 4.836 2.108 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 64 6.192 0.258 2.114 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.568 1.342 2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 64 7.487 3.535 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 64 6.040 4.250 5.589 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.766 0.061 3.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.587 3.391 6.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.891 0.028 4.776 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.794 1.691 6.613 1.00 0.00 H new ATOM 1050 N ASP A 65 7.821 3.337 0.197 1.00 0.00 N ATOM 1051 CA ASP A 65 8.546 4.583 -0.036 1.00 0.00 C ATOM 1052 C ASP A 65 7.740 5.503 -0.948 1.00 0.00 C ATOM 1053 O ASP A 65 7.680 6.715 -0.728 1.00 0.00 O ATOM 1054 CB ASP A 65 9.909 4.290 -0.672 1.00 0.00 C ATOM 1055 CG ASP A 65 10.766 3.456 0.277 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.890 3.840 1.430 1.00 0.00 O ATOM 1057 OD2 ASP A 65 11.289 2.445 -0.162 1.00 0.00 O ATOM 0 H ASP A 65 8.358 2.491 0.005 1.00 0.00 H new ATOM 0 HA ASP A 65 8.698 5.079 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.772 3.757 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.418 5.225 -0.906 1.00 0.00 H new ATOM 1062 N GLN A 66 7.114 4.916 -1.964 1.00 0.00 N ATOM 1063 CA GLN A 66 6.303 5.685 -2.900 1.00 0.00 C ATOM 1064 C GLN A 66 5.024 6.158 -2.219 1.00 0.00 C ATOM 1065 O GLN A 66 4.624 7.314 -2.367 1.00 0.00 O ATOM 1066 CB GLN A 66 5.949 4.831 -4.120 1.00 0.00 C ATOM 1067 CG GLN A 66 7.216 4.544 -4.930 1.00 0.00 C ATOM 1068 CD GLN A 66 7.323 5.522 -6.095 1.00 0.00 C ATOM 1069 OE1 GLN A 66 7.972 6.561 -5.979 1.00 0.00 O ATOM 1070 NE2 GLN A 66 6.719 5.249 -7.219 1.00 0.00 N ATOM 0 H GLN A 66 7.153 3.916 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 66 6.878 6.552 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.489 3.896 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.218 5.350 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.094 4.631 -4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.194 3.521 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.182 4.387 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.784 5.897 -8.004 1.00 0.00 H new ATOM 1079 N TYR A 67 4.391 5.256 -1.468 1.00 0.00 N ATOM 1080 CA TYR A 67 3.159 5.589 -0.759 1.00 0.00 C ATOM 1081 C TYR A 67 3.357 6.851 0.073 1.00 0.00 C ATOM 1082 O TYR A 67 2.622 7.826 -0.079 1.00 0.00 O ATOM 1083 CB TYR A 67 2.746 4.429 0.155 1.00 0.00 C ATOM 1084 CG TYR A 67 1.528 4.830 0.958 1.00 0.00 C ATOM 1085 CD1 TYR A 67 0.261 4.827 0.359 1.00 0.00 C ATOM 1086 CD2 TYR A 67 1.666 5.208 2.300 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -0.866 5.203 1.101 1.00 0.00 C ATOM 1088 CE2 TYR A 67 0.538 5.583 3.042 1.00 0.00 C ATOM 1089 CZ TYR A 67 -0.727 5.581 2.443 1.00 0.00 C ATOM 1090 OH TYR A 67 -1.838 5.952 3.173 1.00 0.00 O ATOM 0 H TYR A 67 4.710 4.296 -1.337 1.00 0.00 H new ATOM 0 HA TYR A 67 2.372 5.764 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.527 3.543 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.566 4.169 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.154 4.535 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.642 5.210 2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.842 5.202 0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.645 5.874 4.077 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.477 5.210 3.196 1.00 0.00 H new ATOM 1100 N GLU A 68 4.360 6.823 0.948 1.00 0.00 N ATOM 1101 CA GLU A 68 4.653 7.968 1.799 1.00 0.00 C ATOM 1102 C GLU A 68 4.859 9.224 0.959 1.00 0.00 C ATOM 1103 O GLU A 68 4.255 10.255 1.223 1.00 0.00 O ATOM 1104 CB GLU A 68 5.910 7.700 2.634 1.00 0.00 C ATOM 1105 CG GLU A 68 5.510 7.102 3.986 1.00 0.00 C ATOM 1106 CD GLU A 68 4.798 8.144 4.855 1.00 0.00 C ATOM 1107 OE1 GLU A 68 4.955 9.328 4.592 1.00 0.00 O ATOM 1108 OE2 GLU A 68 4.106 7.739 5.776 1.00 0.00 O ATOM 0 H GLU A 68 4.979 6.024 1.084 1.00 0.00 H new ATOM 0 HA GLU A 68 3.803 8.123 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.572 7.016 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.464 8.627 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.856 6.244 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.397 6.736 4.503 1.00 0.00 H new ATOM 1115 N SER A 69 5.714 9.123 -0.054 1.00 0.00 N ATOM 1116 CA SER A 69 6.000 10.262 -0.926 1.00 0.00 C ATOM 1117 C SER A 69 4.711 10.883 -1.460 1.00 0.00 C ATOM 1118 O SER A 69 4.659 12.082 -1.741 1.00 0.00 O ATOM 1119 CB SER A 69 6.871 9.808 -2.100 1.00 0.00 C ATOM 1120 OG SER A 69 7.367 10.951 -2.786 1.00 0.00 O ATOM 0 H SER A 69 6.220 8.270 -0.292 1.00 0.00 H new ATOM 0 HA SER A 69 6.529 11.014 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.699 9.198 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.290 9.185 -2.780 1.00 0.00 H new ATOM 0 HG SER A 69 7.927 10.664 -3.538 1.00 0.00 H new ATOM 1126 N GLU A 70 3.678 10.061 -1.601 1.00 0.00 N ATOM 1127 CA GLU A 70 2.393 10.530 -2.108 1.00 0.00 C ATOM 1128 C GLU A 70 1.555 11.151 -0.992 1.00 0.00 C ATOM 1129 O GLU A 70 1.104 12.293 -1.103 1.00 0.00 O ATOM 1130 CB GLU A 70 1.623 9.364 -2.738 1.00 0.00 C ATOM 1131 CG GLU A 70 2.492 8.687 -3.806 1.00 0.00 C ATOM 1132 CD GLU A 70 1.908 8.934 -5.195 1.00 0.00 C ATOM 1133 OE1 GLU A 70 2.029 10.049 -5.678 1.00 0.00 O ATOM 1134 OE2 GLU A 70 1.347 8.006 -5.754 1.00 0.00 O ATOM 0 H GLU A 70 3.704 9.067 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 70 2.585 11.293 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.345 8.642 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.697 9.726 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.509 9.075 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.550 7.616 -3.613 1.00 0.00 H new ATOM 1141 N VAL A 71 1.325 10.377 0.064 1.00 0.00 N ATOM 1142 CA VAL A 71 0.506 10.831 1.187 1.00 0.00 C ATOM 1143 C VAL A 71 1.340 11.559 2.249 1.00 0.00 C ATOM 1144 O VAL A 71 0.862 11.801 3.358 1.00 0.00 O ATOM 1145 CB VAL A 71 -0.192 9.621 1.819 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -1.405 10.086 2.634 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -0.659 8.668 0.712 1.00 0.00 C ATOM 0 H VAL A 71 1.694 9.432 0.167 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.229 11.540 0.806 1.00 0.00 H new ATOM 0 HB VAL A 71 0.508 9.106 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.896 9.222 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.076 10.763 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.106 10.604 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.156 7.807 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.356 9.188 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.202 8.331 0.135 1.00 0.00 H new ATOM 1157 N HIS A 72 2.576 11.916 1.910 1.00 0.00 N ATOM 1158 CA HIS A 72 3.440 12.620 2.859 1.00 0.00 C ATOM 1159 C HIS A 72 3.042 14.094 2.946 1.00 0.00 C ATOM 1160 O HIS A 72 3.377 14.779 3.912 1.00 0.00 O ATOM 1161 CB HIS A 72 4.912 12.487 2.437 1.00 0.00 C ATOM 1162 CG HIS A 72 5.742 13.551 3.107 1.00 0.00 C ATOM 1163 ND1 HIS A 72 5.961 13.563 4.475 1.00 0.00 N ATOM 1164 CD2 HIS A 72 6.412 14.640 2.608 1.00 0.00 C ATOM 1165 CE1 HIS A 72 6.735 14.629 4.751 1.00 0.00 C ATOM 1166 NE2 HIS A 72 7.038 15.320 3.648 1.00 0.00 N ATOM 0 H HIS A 72 2.999 11.734 1.000 1.00 0.00 H new ATOM 0 HA HIS A 72 3.318 12.169 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.287 11.500 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.997 12.577 1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.448 14.925 1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.070 14.894 5.743 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.606 16.165 3.583 1.00 0.00 H new ATOM 1175 N GLY A 73 2.319 14.572 1.936 1.00 0.00 N ATOM 1176 CA GLY A 73 1.876 15.964 1.915 1.00 0.00 C ATOM 1177 C GLY A 73 0.639 16.151 2.792 1.00 0.00 C ATOM 1178 O GLY A 73 0.281 17.277 3.139 1.00 0.00 O ATOM 0 H GLY A 73 2.029 14.021 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.679 16.612 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.651 16.264 0.891 1.00 0.00 H new ATOM 1182 N ARG A 74 0.010 15.029 3.157 1.00 0.00 N ATOM 1183 CA ARG A 74 -1.172 15.029 4.004 1.00 0.00 C ATOM 1184 C ARG A 74 -2.106 16.200 3.694 1.00 0.00 C ATOM 1185 O ARG A 74 -2.139 16.708 2.571 1.00 0.00 O ATOM 1186 CB ARG A 74 -0.741 15.071 5.465 1.00 0.00 C ATOM 1187 CG ARG A 74 0.621 14.389 5.637 1.00 0.00 C ATOM 1188 CD ARG A 74 0.854 14.086 7.118 1.00 0.00 C ATOM 1189 NE ARG A 74 0.588 15.272 7.928 1.00 0.00 N ATOM 1190 CZ ARG A 74 0.962 15.338 9.203 1.00 0.00 C ATOM 1191 NH1 ARG A 74 1.580 14.331 9.758 1.00 0.00 N ATOM 1192 NH2 ARG A 74 0.710 16.410 9.902 1.00 0.00 N ATOM 0 H ARG A 74 0.312 14.098 2.870 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.731 14.115 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.683 16.105 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.486 14.573 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.654 13.467 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.414 15.034 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.206 13.269 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.882 13.756 7.271 1.00 0.00 H new ATOM 0 HE ARG A 74 0.105 16.066 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.777 13.491 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.866 14.384 10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.226 17.198 9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.997 16.461 10.880 1.00 0.00 H new ATOM 1206 N LEU A 75 -2.869 16.617 4.704 1.00 0.00 N ATOM 1207 CA LEU A 75 -3.809 17.722 4.549 1.00 0.00 C ATOM 1208 C LEU A 75 -3.287 18.957 5.279 1.00 0.00 C ATOM 1209 O LEU A 75 -3.987 19.553 6.098 1.00 0.00 O ATOM 1210 CB LEU A 75 -5.179 17.322 5.117 1.00 0.00 C ATOM 1211 CG LEU A 75 -5.976 16.528 4.072 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -6.263 17.410 2.853 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -5.172 15.296 3.638 1.00 0.00 C ATOM 0 H LEU A 75 -2.853 16.205 5.637 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.914 17.954 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.046 16.721 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.734 18.214 5.408 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.921 16.208 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.829 16.840 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.843 18.280 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.322 17.739 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.740 14.734 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.224 15.614 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.980 14.663 4.504 1.00 0.00 H new ATOM 1225 N GLU A 76 -2.045 19.328 4.978 1.00 0.00 N ATOM 1226 CA GLU A 76 -1.426 20.487 5.614 1.00 0.00 C ATOM 1227 C GLU A 76 -1.760 21.766 4.848 1.00 0.00 C ATOM 1228 O GLU A 76 -0.879 22.577 4.551 1.00 0.00 O ATOM 1229 CB GLU A 76 0.096 20.293 5.680 1.00 0.00 C ATOM 1230 CG GLU A 76 0.419 18.847 6.082 1.00 0.00 C ATOM 1231 CD GLU A 76 -0.158 18.543 7.463 1.00 0.00 C ATOM 1232 OE1 GLU A 76 0.408 19.013 8.436 1.00 0.00 O ATOM 1233 OE2 GLU A 76 -1.157 17.844 7.527 1.00 0.00 O ATOM 0 H GLU A 76 -1.451 18.847 4.303 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.820 20.581 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.543 20.520 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.529 20.986 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.006 18.156 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.498 18.696 6.089 1.00 0.00 H new ATOM 1240 N HIS A 77 -3.043 21.942 4.536 1.00 0.00 N ATOM 1241 CA HIS A 77 -3.494 23.126 3.808 1.00 0.00 C ATOM 1242 C HIS A 77 -3.401 24.370 4.694 1.00 0.00 C ATOM 1243 O HIS A 77 -3.164 24.268 5.898 1.00 0.00 O ATOM 1244 CB HIS A 77 -4.940 22.930 3.337 1.00 0.00 C ATOM 1245 CG HIS A 77 -5.262 23.923 2.251 1.00 0.00 C ATOM 1246 ND1 HIS A 77 -4.301 24.396 1.371 1.00 0.00 N ATOM 1247 CD2 HIS A 77 -6.436 24.539 1.890 1.00 0.00 C ATOM 1248 CE1 HIS A 77 -4.907 25.256 0.532 1.00 0.00 C ATOM 1249 NE2 HIS A 77 -6.208 25.379 0.804 1.00 0.00 N ATOM 0 H HIS A 77 -3.785 21.284 4.775 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.848 23.267 2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.077 21.914 2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.626 23.058 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.390 24.394 2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.402 25.783 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.889 25.964 0.320 1.00 0.00 H new ATOM 1258 N HIS A 78 -3.586 25.539 4.084 1.00 0.00 N ATOM 1259 CA HIS A 78 -3.516 26.801 4.818 1.00 0.00 C ATOM 1260 C HIS A 78 -4.910 27.376 5.047 1.00 0.00 C ATOM 1261 O HIS A 78 -5.385 27.440 6.182 1.00 0.00 O ATOM 1262 CB HIS A 78 -2.672 27.810 4.033 1.00 0.00 C ATOM 1263 CG HIS A 78 -1.213 27.535 4.266 1.00 0.00 C ATOM 1264 ND1 HIS A 78 -0.517 26.583 3.538 1.00 0.00 N ATOM 1265 CD2 HIS A 78 -0.305 28.079 5.139 1.00 0.00 C ATOM 1266 CE1 HIS A 78 0.753 26.583 3.982 1.00 0.00 C ATOM 1267 NE2 HIS A 78 0.936 27.477 4.959 1.00 0.00 N ATOM 0 H HIS A 78 -3.785 25.639 3.088 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.055 26.608 5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.900 27.741 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.916 28.825 4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.521 28.856 5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.530 25.939 3.596 1.00 0.00 H new ATOM 0 HE2 HIS A 78 1.800 27.675 5.464 1.00 0.00 H new ATOM 1276 N HIS A 79 -5.553 27.805 3.961 1.00 0.00 N ATOM 1277 CA HIS A 79 -6.892 28.387 4.045 1.00 0.00 C ATOM 1278 C HIS A 79 -7.827 27.501 4.865 1.00 0.00 C ATOM 1279 O HIS A 79 -7.876 26.285 4.678 1.00 0.00 O ATOM 1280 CB HIS A 79 -7.461 28.583 2.637 1.00 0.00 C ATOM 1281 CG HIS A 79 -6.977 29.896 2.083 1.00 0.00 C ATOM 1282 ND1 HIS A 79 -5.751 30.022 1.447 1.00 0.00 N ATOM 1283 CD2 HIS A 79 -7.537 31.148 2.070 1.00 0.00 C ATOM 1284 CE1 HIS A 79 -5.615 31.310 1.083 1.00 0.00 C ATOM 1285 NE2 HIS A 79 -6.676 32.040 1.437 1.00 0.00 N ATOM 0 H HIS A 79 -5.170 27.761 3.017 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.814 29.353 4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.148 27.764 1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.550 28.567 2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.500 31.403 2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.753 31.706 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.824 33.037 1.278 1.00 0.00 H new ATOM 1294 N HIS A 80 -8.565 28.129 5.779 1.00 0.00 N ATOM 1295 CA HIS A 80 -9.497 27.406 6.640 1.00 0.00 C ATOM 1296 C HIS A 80 -10.788 27.086 5.894 1.00 0.00 C ATOM 1297 O HIS A 80 -11.013 27.564 4.781 1.00 0.00 O ATOM 1298 CB HIS A 80 -9.823 28.247 7.877 1.00 0.00 C ATOM 1299 CG HIS A 80 -8.558 28.559 8.630 1.00 0.00 C ATOM 1300 ND1 HIS A 80 -8.363 28.162 9.943 1.00 0.00 N ATOM 1301 CD2 HIS A 80 -7.417 29.235 8.271 1.00 0.00 C ATOM 1302 CE1 HIS A 80 -7.149 28.598 10.323 1.00 0.00 C ATOM 1303 NE2 HIS A 80 -6.530 29.258 9.341 1.00 0.00 N ATOM 0 H HIS A 80 -8.535 29.136 5.942 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.025 26.471 6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.317 29.172 7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.517 27.708 8.522 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.237 29.681 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.726 28.434 11.303 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.605 29.687 9.370 1.00 0.00 H new ATOM 1312 N HIS A 81 -11.636 26.274 6.522 1.00 0.00 N ATOM 1313 CA HIS A 81 -12.910 25.890 5.923 1.00 0.00 C ATOM 1314 C HIS A 81 -13.871 27.077 5.914 1.00 0.00 C ATOM 1315 O HIS A 81 -14.007 27.782 6.915 1.00 0.00 O ATOM 1316 CB HIS A 81 -13.527 24.733 6.714 1.00 0.00 C ATOM 1317 CG HIS A 81 -14.614 24.084 5.899 1.00 0.00 C ATOM 1318 ND1 HIS A 81 -15.684 24.801 5.387 1.00 0.00 N ATOM 1319 CD2 HIS A 81 -14.805 22.786 5.495 1.00 0.00 C ATOM 1320 CE1 HIS A 81 -16.464 23.938 4.712 1.00 0.00 C ATOM 1321 NE2 HIS A 81 -15.975 22.697 4.746 1.00 0.00 N ATOM 0 H HIS A 81 -11.464 25.871 7.443 1.00 0.00 H new ATOM 0 HA HIS A 81 -12.733 25.572 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -12.760 24.000 6.964 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -13.935 25.100 7.656 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -14.148 21.960 5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -17.376 24.216 4.204 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -16.373 21.862 4.316 1.00 0.00 H new ATOM 1330 N HIS A 82 -14.534 27.288 4.776 1.00 0.00 N ATOM 1331 CA HIS A 82 -15.484 28.392 4.633 1.00 0.00 C ATOM 1332 C HIS A 82 -14.800 29.735 4.912 1.00 0.00 C ATOM 1333 O HIS A 82 -14.878 30.205 6.037 1.00 0.00 O ATOM 1334 CB HIS A 82 -16.675 28.190 5.584 1.00 0.00 C ATOM 1335 CG HIS A 82 -17.721 29.244 5.328 1.00 0.00 C ATOM 1336 ND1 HIS A 82 -18.749 29.496 6.224 1.00 0.00 N ATOM 1337 CD2 HIS A 82 -17.913 30.117 4.284 1.00 0.00 C ATOM 1338 CE1 HIS A 82 -19.505 30.483 5.708 1.00 0.00 C ATOM 1339 NE2 HIS A 82 -19.040 30.897 4.527 1.00 0.00 N ATOM 1340 OXT HIS A 82 -14.206 30.273 3.992 1.00 0.00 O ATOM 0 H HIS A 82 -14.431 26.710 3.942 1.00 0.00 H new ATOM 0 HA HIS A 82 -15.850 28.403 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.103 27.198 5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -16.338 28.244 6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.285 30.187 3.408 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.381 30.890 6.191 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.428 31.628 3.931 1.00 0.00 H new TER 1349 HIS A 82