USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 681 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 41 SER OG : rot 50:sc= 0.82 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.919 K(o=1.7,f=0) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -174:sc= 1.32 (180deg=1.1) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0.0653 USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0.575 K(o=0.57,f=-3.8!) USER MOD Set 3.2: A 25 SER OG : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.39 (180deg=0.911) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0485 (180deg=-0.262) USER MOD Single : A 7 TYR OH : rot 150:sc= 0.708 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.82! C(o=-1.8!,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -132:sc= 1.21 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= 1.04 (180deg=0.637) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.31) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc=-0.000672 (180deg=-0.103) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.545 K(o=-0.54,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.769) USER MOD Single : A 53 MET CE :methyl -160:sc= -0.147 (180deg=-0.626) USER MOD Single : A 55 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= 1.26 (180deg=0.923) USER MOD Single : A 65 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 72 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 76 HIS : no HD1:sc= -0.492 K(o=-0.49,f=0.13) USER MOD Single : A 77 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.230 16.248 -7.916 1.00 0.00 N ATOM 2 CA MET A 1 5.896 16.562 -7.400 1.00 0.00 C ATOM 3 C MET A 1 4.899 16.364 -8.515 1.00 0.00 C ATOM 4 O MET A 1 5.274 16.351 -9.690 1.00 0.00 O ATOM 5 CB MET A 1 5.809 18.032 -6.905 1.00 0.00 C ATOM 6 CG MET A 1 5.854 19.104 -8.007 1.00 0.00 C ATOM 7 SD MET A 1 7.364 19.069 -9.006 1.00 0.00 S ATOM 8 CE MET A 1 6.976 20.353 -10.205 1.00 0.00 C ATOM 0 H1 MET A 1 7.853 15.980 -7.128 1.00 0.00 H new ATOM 0 H2 MET A 1 7.165 15.458 -8.589 1.00 0.00 H new ATOM 0 H3 MET A 1 7.621 17.082 -8.398 1.00 0.00 H new ATOM 0 HA MET A 1 5.684 15.906 -6.556 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.884 18.153 -6.341 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.631 18.213 -6.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.993 18.973 -8.663 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.757 20.088 -7.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.807 20.463 -10.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.075 20.078 -10.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.810 21.297 -9.686 1.00 0.00 H new ATOM 20 N LEU A 2 3.661 16.219 -8.165 1.00 0.00 N ATOM 21 CA LEU A 2 2.594 16.098 -9.119 1.00 0.00 C ATOM 22 C LEU A 2 1.360 16.657 -8.473 1.00 0.00 C ATOM 23 O LEU A 2 1.324 16.810 -7.256 1.00 0.00 O ATOM 24 CB LEU A 2 2.351 14.627 -9.571 1.00 0.00 C ATOM 25 CG LEU A 2 1.778 13.624 -8.538 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.386 12.342 -9.242 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.784 13.304 -7.436 1.00 0.00 C ATOM 0 H LEU A 2 3.353 16.180 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 2 2.859 16.646 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.672 14.649 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.300 14.229 -9.929 1.00 0.00 H new ATOM 0 HG LEU A 2 0.907 14.087 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.983 11.636 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.629 12.558 -9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.263 11.907 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.342 12.598 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.679 12.865 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.051 14.220 -6.909 1.00 0.00 H new ATOM 39 N LYS A 3 0.374 16.980 -9.252 1.00 0.00 N ATOM 40 CA LYS A 3 -0.862 17.516 -8.708 1.00 0.00 C ATOM 41 C LYS A 3 -1.950 16.462 -8.819 1.00 0.00 C ATOM 42 O LYS A 3 -3.135 16.764 -8.762 1.00 0.00 O ATOM 43 CB LYS A 3 -1.298 18.751 -9.499 1.00 0.00 C ATOM 44 CG LYS A 3 -0.287 19.896 -9.552 1.00 0.00 C ATOM 45 CD LYS A 3 -0.862 21.104 -10.301 1.00 0.00 C ATOM 46 CE LYS A 3 -1.241 20.751 -11.738 1.00 0.00 C ATOM 47 NZ LYS A 3 -1.927 21.857 -12.435 1.00 0.00 N ATOM 0 H LYS A 3 0.389 16.887 -10.268 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.699 17.792 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.525 18.444 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.224 19.129 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.011 20.189 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.624 19.558 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.741 21.474 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.130 21.911 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.341 20.481 -12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.887 19.873 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.161 21.564 -13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.801 22.099 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.303 22.688 -12.466 1.00 0.00 H new ATOM 61 N HIS A 4 -1.540 15.226 -8.952 1.00 0.00 N ATOM 62 CA HIS A 4 -2.476 14.151 -9.225 1.00 0.00 C ATOM 63 C HIS A 4 -2.327 13.007 -8.205 1.00 0.00 C ATOM 64 O HIS A 4 -3.011 11.987 -8.303 1.00 0.00 O ATOM 65 CB HIS A 4 -2.221 13.645 -10.674 1.00 0.00 C ATOM 66 CG HIS A 4 -3.223 12.661 -11.223 1.00 0.00 C ATOM 67 ND1 HIS A 4 -2.908 11.362 -11.559 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.522 12.818 -11.535 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.982 10.766 -12.051 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.975 11.631 -12.049 1.00 0.00 N ATOM 0 H HIS A 4 -0.566 14.933 -8.877 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.497 14.520 -9.134 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.191 14.509 -11.338 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.234 13.183 -10.707 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.104 13.718 -11.404 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.035 9.744 -12.396 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.924 11.448 -12.376 1.00 0.00 H new ATOM 79 N GLY A 5 -1.487 13.193 -7.205 1.00 0.00 N ATOM 80 CA GLY A 5 -1.229 12.107 -6.293 1.00 0.00 C ATOM 81 C GLY A 5 -0.669 12.540 -4.967 1.00 0.00 C ATOM 82 O GLY A 5 0.286 13.312 -4.905 1.00 0.00 O ATOM 0 H GLY A 5 -0.987 14.060 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.157 11.561 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.532 11.412 -6.760 1.00 0.00 H new ATOM 86 N LYS A 6 -1.253 12.031 -3.915 1.00 0.00 N ATOM 87 CA LYS A 6 -0.815 12.320 -2.563 1.00 0.00 C ATOM 88 C LYS A 6 -0.091 11.101 -2.032 1.00 0.00 C ATOM 89 O LYS A 6 -0.292 10.003 -2.541 1.00 0.00 O ATOM 90 CB LYS A 6 -2.017 12.627 -1.662 1.00 0.00 C ATOM 91 CG LYS A 6 -2.886 13.793 -2.120 1.00 0.00 C ATOM 92 CD LYS A 6 -2.114 15.105 -2.166 1.00 0.00 C ATOM 93 CE LYS A 6 -3.014 16.254 -2.600 1.00 0.00 C ATOM 94 NZ LYS A 6 -3.587 16.037 -3.944 1.00 0.00 N ATOM 0 H LYS A 6 -2.052 11.399 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.158 13.190 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.639 11.734 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.653 12.838 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.289 13.576 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.736 13.897 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.694 15.319 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.276 15.014 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.821 16.374 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.443 17.182 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.007 16.924 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.837 15.732 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.322 15.303 -3.894 1.00 0.00 H new ATOM 108 N TYR A 7 0.730 11.272 -1.038 1.00 0.00 N ATOM 109 CA TYR A 7 1.454 10.154 -0.473 1.00 0.00 C ATOM 110 C TYR A 7 0.969 9.871 0.930 1.00 0.00 C ATOM 111 O TYR A 7 1.108 10.712 1.838 1.00 0.00 O ATOM 112 CB TYR A 7 2.969 10.395 -0.476 1.00 0.00 C ATOM 113 CG TYR A 7 3.617 10.425 -1.845 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.627 11.580 -2.603 1.00 0.00 C ATOM 115 CD2 TYR A 7 4.235 9.297 -2.366 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.229 11.620 -3.842 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.843 9.326 -3.605 1.00 0.00 C ATOM 118 CZ TYR A 7 4.835 10.492 -4.337 1.00 0.00 C ATOM 119 OH TYR A 7 5.438 10.529 -5.579 1.00 0.00 O ATOM 0 H TYR A 7 0.920 12.172 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 7 1.259 9.284 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.171 11.342 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.446 9.614 0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.153 12.470 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.240 8.382 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.224 12.533 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.321 8.441 -3.997 1.00 0.00 H new ATOM 0 HH TYR A 7 6.186 9.896 -5.599 1.00 0.00 H new ATOM 129 N VAL A 8 0.413 8.710 1.118 1.00 0.00 N ATOM 130 CA VAL A 8 -0.118 8.321 2.400 1.00 0.00 C ATOM 131 C VAL A 8 0.607 7.078 2.865 1.00 0.00 C ATOM 132 O VAL A 8 1.460 6.542 2.139 1.00 0.00 O ATOM 133 CB VAL A 8 -1.662 8.048 2.359 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.430 9.252 1.834 1.00 0.00 C ATOM 135 CG2 VAL A 8 -1.995 6.798 1.556 1.00 0.00 C ATOM 0 H VAL A 8 0.313 8.003 0.390 1.00 0.00 H new ATOM 0 HA VAL A 8 0.037 9.148 3.093 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.979 7.873 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.496 9.026 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.250 10.110 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.095 9.485 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.074 6.645 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.642 6.919 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.507 5.934 2.008 1.00 0.00 H new ATOM 145 N TYR A 9 0.292 6.626 4.039 1.00 0.00 N ATOM 146 CA TYR A 9 0.927 5.465 4.581 1.00 0.00 C ATOM 147 C TYR A 9 -0.118 4.428 4.889 1.00 0.00 C ATOM 148 O TYR A 9 -1.176 4.737 5.426 1.00 0.00 O ATOM 149 CB TYR A 9 1.739 5.816 5.838 1.00 0.00 C ATOM 150 CG TYR A 9 2.922 6.747 5.593 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.735 8.115 5.432 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.221 6.255 5.533 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.797 8.964 5.218 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.297 7.103 5.322 1.00 0.00 C ATOM 155 CZ TYR A 9 5.074 8.462 5.165 1.00 0.00 C ATOM 156 OH TYR A 9 6.136 9.320 4.953 1.00 0.00 O ATOM 0 H TYR A 9 -0.410 7.049 4.647 1.00 0.00 H new ATOM 0 HA TYR A 9 1.625 5.064 3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.074 6.280 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.107 4.893 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.735 8.520 5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.394 5.196 5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.626 10.023 5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.301 6.708 5.280 1.00 0.00 H new ATOM 0 HH TYR A 9 6.972 8.809 4.943 1.00 0.00 H new ATOM 166 N ILE A 10 0.140 3.225 4.509 1.00 0.00 N ATOM 167 CA ILE A 10 -0.785 2.160 4.766 1.00 0.00 C ATOM 168 C ILE A 10 -0.456 1.513 6.087 1.00 0.00 C ATOM 169 O ILE A 10 0.712 1.153 6.352 1.00 0.00 O ATOM 170 CB ILE A 10 -0.811 1.108 3.620 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.190 1.760 2.283 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.723 -0.077 3.930 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.476 2.569 2.325 1.00 0.00 C ATOM 0 H ILE A 10 0.988 2.946 4.015 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.786 2.589 4.813 1.00 0.00 H new ATOM 0 HB ILE A 10 0.201 0.711 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.375 2.411 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.289 0.981 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.703 -0.779 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.376 -0.577 4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.742 0.278 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.670 2.995 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.305 1.921 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.377 3.373 3.055 1.00 0.00 H new ATOM 185 N ASP A 11 -1.470 1.390 6.914 1.00 0.00 N ATOM 186 CA ASP A 11 -1.351 0.824 8.225 1.00 0.00 C ATOM 187 C ASP A 11 -1.159 -0.669 8.134 1.00 0.00 C ATOM 188 O ASP A 11 -2.116 -1.437 7.939 1.00 0.00 O ATOM 189 CB ASP A 11 -2.557 1.177 9.120 1.00 0.00 C ATOM 190 CG ASP A 11 -2.469 0.557 10.511 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.716 1.068 11.368 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.151 -0.443 10.770 1.00 0.00 O ATOM 0 H ASP A 11 -2.417 1.689 6.682 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.471 1.261 8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.627 2.261 9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.473 0.840 8.635 1.00 0.00 H new ATOM 197 N LEU A 12 0.095 -1.052 8.124 1.00 0.00 N ATOM 198 CA LEU A 12 0.486 -2.440 8.167 1.00 0.00 C ATOM 199 C LEU A 12 0.334 -2.906 9.599 1.00 0.00 C ATOM 200 O LEU A 12 0.028 -4.062 9.875 1.00 0.00 O ATOM 201 CB LEU A 12 1.950 -2.576 7.762 1.00 0.00 C ATOM 202 CG LEU A 12 2.362 -2.017 6.403 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.857 -2.218 6.191 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.571 -2.675 5.288 1.00 0.00 C ATOM 0 H LEU A 12 0.880 -0.402 8.085 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.129 -3.030 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.556 -2.087 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.207 -3.635 7.782 1.00 0.00 H new ATOM 0 HG LEU A 12 2.144 -0.949 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.144 -1.817 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.409 -1.699 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.090 -3.282 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.881 -2.261 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.755 -3.749 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.508 -2.488 5.437 1.00 0.00 H new ATOM 216 N ASN A 13 0.622 -1.959 10.497 1.00 0.00 N ATOM 217 CA ASN A 13 0.478 -2.078 11.959 1.00 0.00 C ATOM 218 C ASN A 13 1.500 -3.053 12.569 1.00 0.00 C ATOM 219 O ASN A 13 1.482 -3.328 13.762 1.00 0.00 O ATOM 220 CB ASN A 13 -0.964 -2.472 12.342 1.00 0.00 C ATOM 221 CG ASN A 13 -1.393 -1.893 13.678 1.00 0.00 C ATOM 222 OD1 ASN A 13 -1.212 -2.489 14.743 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.970 -0.721 13.629 1.00 0.00 N ATOM 0 H ASN A 13 0.978 -1.045 10.216 1.00 0.00 H new ATOM 0 HA ASN A 13 0.688 -1.095 12.381 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.648 -2.130 11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.042 -3.559 12.379 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.286 -0.272 14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.104 -0.256 12.731 1.00 0.00 H new ATOM 230 N ASN A 14 2.425 -3.531 11.753 1.00 0.00 N ATOM 231 CA ASN A 14 3.447 -4.484 12.213 1.00 0.00 C ATOM 232 C ASN A 14 4.772 -3.797 12.557 1.00 0.00 C ATOM 233 O ASN A 14 5.827 -4.435 12.616 1.00 0.00 O ATOM 234 CB ASN A 14 3.637 -5.681 11.232 1.00 0.00 C ATOM 235 CG ASN A 14 4.062 -5.308 9.824 1.00 0.00 C ATOM 236 OD1 ASN A 14 3.234 -5.022 8.986 1.00 0.00 O ATOM 237 ND2 ASN A 14 5.331 -5.378 9.530 1.00 0.00 N ATOM 0 H ASN A 14 2.497 -3.281 10.767 1.00 0.00 H new ATOM 0 HA ASN A 14 3.068 -4.910 13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.382 -6.357 11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.700 -6.235 11.176 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.645 -5.190 8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.009 -5.621 10.252 1.00 0.00 H new ATOM 244 N GLY A 15 4.701 -2.500 12.825 1.00 0.00 N ATOM 245 CA GLY A 15 5.879 -1.736 13.237 1.00 0.00 C ATOM 246 C GLY A 15 6.450 -0.880 12.135 1.00 0.00 C ATOM 247 O GLY A 15 7.242 0.032 12.390 1.00 0.00 O ATOM 0 H GLY A 15 3.843 -1.952 12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.614 -1.100 14.081 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.647 -2.426 13.587 1.00 0.00 H new ATOM 251 N LYS A 16 6.029 -1.137 10.934 1.00 0.00 N ATOM 252 CA LYS A 16 6.447 -0.363 9.795 1.00 0.00 C ATOM 253 C LYS A 16 5.250 -0.080 8.934 1.00 0.00 C ATOM 254 O LYS A 16 4.214 -0.746 9.081 1.00 0.00 O ATOM 255 CB LYS A 16 7.578 -1.054 9.011 1.00 0.00 C ATOM 256 CG LYS A 16 7.295 -2.476 8.551 1.00 0.00 C ATOM 257 CD LYS A 16 8.526 -3.062 7.874 1.00 0.00 C ATOM 258 CE LYS A 16 8.330 -4.516 7.491 1.00 0.00 C ATOM 259 NZ LYS A 16 9.545 -5.087 6.873 1.00 0.00 N ATOM 0 H LYS A 16 5.382 -1.893 10.711 1.00 0.00 H new ATOM 0 HA LYS A 16 6.866 0.583 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.809 -0.448 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.472 -1.066 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.011 -3.093 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.453 -2.482 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.759 -2.481 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.382 -2.976 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.067 -5.093 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.494 -4.600 6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.373 -6.082 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.782 -4.551 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.336 -5.030 7.546 1.00 0.00 H new ATOM 273 N TYR A 17 5.363 0.909 8.092 1.00 0.00 N ATOM 274 CA TYR A 17 4.275 1.355 7.239 1.00 0.00 C ATOM 275 C TYR A 17 4.753 1.449 5.823 1.00 0.00 C ATOM 276 O TYR A 17 5.941 1.623 5.585 1.00 0.00 O ATOM 277 CB TYR A 17 3.731 2.730 7.706 1.00 0.00 C ATOM 278 CG TYR A 17 2.850 2.671 8.940 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.342 2.233 10.158 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.515 3.023 8.869 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.535 2.148 11.263 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.700 2.935 9.974 1.00 0.00 C ATOM 283 CZ TYR A 17 1.218 2.496 11.168 1.00 0.00 C ATOM 284 OH TYR A 17 0.409 2.388 12.263 1.00 0.00 O ATOM 0 H TYR A 17 6.224 1.442 7.970 1.00 0.00 H new ATOM 0 HA TYR A 17 3.464 0.629 7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.574 3.391 7.908 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.163 3.178 6.891 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.382 1.953 10.239 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.106 3.372 7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.939 1.807 12.205 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.342 3.210 9.903 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.417 1.922 12.015 1.00 0.00 H new ATOM 294 N VAL A 18 3.858 1.309 4.893 1.00 0.00 N ATOM 295 CA VAL A 18 4.207 1.434 3.502 1.00 0.00 C ATOM 296 C VAL A 18 3.692 2.760 2.966 1.00 0.00 C ATOM 297 O VAL A 18 2.563 3.156 3.255 1.00 0.00 O ATOM 298 CB VAL A 18 3.708 0.222 2.639 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.231 0.008 2.783 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.050 0.410 1.179 1.00 0.00 C ATOM 0 H VAL A 18 2.874 1.107 5.069 1.00 0.00 H new ATOM 0 HA VAL A 18 5.294 1.418 3.425 1.00 0.00 H new ATOM 0 HB VAL A 18 4.225 -0.662 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.925 -0.840 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.993 -0.194 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.700 0.902 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.691 -0.446 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.575 1.318 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.131 0.494 1.066 1.00 0.00 H new ATOM 310 N LYS A 19 4.524 3.445 2.240 1.00 0.00 N ATOM 311 CA LYS A 19 4.193 4.724 1.692 1.00 0.00 C ATOM 312 C LYS A 19 3.726 4.529 0.263 1.00 0.00 C ATOM 313 O LYS A 19 4.476 4.027 -0.589 1.00 0.00 O ATOM 314 CB LYS A 19 5.417 5.632 1.733 1.00 0.00 C ATOM 315 CG LYS A 19 5.159 7.057 1.282 1.00 0.00 C ATOM 316 CD LYS A 19 6.444 7.854 1.289 1.00 0.00 C ATOM 317 CE LYS A 19 6.211 9.288 0.878 1.00 0.00 C ATOM 318 NZ LYS A 19 7.471 10.033 0.793 1.00 0.00 N ATOM 0 H LYS A 19 5.465 3.126 2.009 1.00 0.00 H new ATOM 0 HA LYS A 19 3.399 5.191 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.805 5.651 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.195 5.200 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.730 7.056 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.429 7.527 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.884 7.828 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.163 7.393 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.706 9.314 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.549 9.771 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.276 11.014 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.940 10.029 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.092 9.586 0.089 1.00 0.00 H new ATOM 332 N VAL A 20 2.517 4.907 0.004 1.00 0.00 N ATOM 333 CA VAL A 20 1.938 4.711 -1.288 1.00 0.00 C ATOM 334 C VAL A 20 1.362 6.021 -1.814 1.00 0.00 C ATOM 335 O VAL A 20 0.858 6.857 -1.046 1.00 0.00 O ATOM 336 CB VAL A 20 0.846 3.591 -1.240 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.297 3.966 -0.317 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.322 3.233 -2.627 1.00 0.00 C ATOM 0 H VAL A 20 1.902 5.360 0.680 1.00 0.00 H new ATOM 0 HA VAL A 20 2.719 4.384 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 20 1.333 2.703 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.036 3.165 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.085 4.117 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.763 4.886 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.433 2.452 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.121 4.116 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.145 2.875 -3.246 1.00 0.00 H new ATOM 348 N ARG A 21 1.486 6.222 -3.094 1.00 0.00 N ATOM 349 CA ARG A 21 0.946 7.377 -3.730 1.00 0.00 C ATOM 350 C ARG A 21 -0.439 7.064 -4.233 1.00 0.00 C ATOM 351 O ARG A 21 -0.640 6.117 -5.016 1.00 0.00 O ATOM 352 CB ARG A 21 1.843 7.860 -4.871 1.00 0.00 C ATOM 353 CG ARG A 21 1.324 9.103 -5.582 1.00 0.00 C ATOM 354 CD ARG A 21 2.308 9.605 -6.622 1.00 0.00 C ATOM 355 NE ARG A 21 2.538 8.646 -7.718 1.00 0.00 N ATOM 356 CZ ARG A 21 3.731 8.447 -8.316 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.845 8.974 -7.800 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.809 7.701 -9.407 1.00 0.00 N ATOM 0 H ARG A 21 1.968 5.582 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 21 0.893 8.186 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.837 8.069 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.952 7.056 -5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.371 8.877 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.135 9.889 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.938 10.542 -7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.258 9.826 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 21 1.743 8.097 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.798 9.532 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.743 8.818 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.967 7.276 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.711 7.551 -9.859 1.00 0.00 H new ATOM 372 N ILE A 22 -1.371 7.830 -3.771 1.00 0.00 N ATOM 373 CA ILE A 22 -2.742 7.693 -4.134 1.00 0.00 C ATOM 374 C ILE A 22 -3.007 8.648 -5.260 1.00 0.00 C ATOM 375 O ILE A 22 -2.959 9.872 -5.061 1.00 0.00 O ATOM 376 CB ILE A 22 -3.674 8.077 -2.956 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.313 7.305 -1.678 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.130 7.855 -3.329 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.392 5.799 -1.798 1.00 0.00 C ATOM 0 H ILE A 22 -1.195 8.589 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.937 6.657 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.529 9.138 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.301 7.578 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.979 7.626 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.767 8.131 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.382 8.470 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.287 6.804 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.120 5.343 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.409 5.508 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.705 5.459 -2.573 1.00 0.00 H new ATOM 391 N LEU A 23 -3.226 8.132 -6.428 1.00 0.00 N ATOM 392 CA LEU A 23 -3.530 8.977 -7.539 1.00 0.00 C ATOM 393 C LEU A 23 -5.013 9.214 -7.579 1.00 0.00 C ATOM 394 O LEU A 23 -5.795 8.303 -7.900 1.00 0.00 O ATOM 395 CB LEU A 23 -3.086 8.336 -8.855 1.00 0.00 C ATOM 396 CG LEU A 23 -1.597 8.046 -9.021 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.354 7.357 -10.345 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.788 9.325 -8.944 1.00 0.00 C ATOM 0 H LEU A 23 -3.200 7.134 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.995 9.919 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.628 7.398 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.396 8.989 -9.671 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.279 7.391 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.289 7.152 -10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.909 6.419 -10.375 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.688 8.002 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.270 9.094 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.104 10.004 -9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.948 9.799 -7.975 1.00 0.00 H new ATOM 410 N LYS A 24 -5.416 10.411 -7.275 1.00 0.00 N ATOM 411 CA LYS A 24 -6.803 10.735 -7.340 1.00 0.00 C ATOM 412 C LYS A 24 -7.129 11.051 -8.749 1.00 0.00 C ATOM 413 O LYS A 24 -6.752 12.099 -9.275 1.00 0.00 O ATOM 414 CB LYS A 24 -7.170 11.895 -6.420 1.00 0.00 C ATOM 415 CG LYS A 24 -7.952 11.485 -5.180 1.00 0.00 C ATOM 416 CD LYS A 24 -9.324 10.903 -5.547 1.00 0.00 C ATOM 417 CE LYS A 24 -10.152 10.616 -4.306 1.00 0.00 C ATOM 418 NZ LYS A 24 -11.483 10.038 -4.627 1.00 0.00 N ATOM 0 H LYS A 24 -4.805 11.174 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.387 9.883 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.256 12.400 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.758 12.619 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.381 10.747 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.085 12.350 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.858 11.603 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.191 9.984 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.607 9.927 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.287 11.539 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.045 9.956 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.977 10.657 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.360 9.096 -5.049 1.00 0.00 H new ATOM 432 N SER A 25 -7.804 10.163 -9.372 1.00 0.00 N ATOM 433 CA SER A 25 -8.090 10.313 -10.733 1.00 0.00 C ATOM 434 C SER A 25 -9.499 10.840 -10.929 1.00 0.00 C ATOM 435 O SER A 25 -10.462 10.075 -11.068 1.00 0.00 O ATOM 436 CB SER A 25 -7.847 8.994 -11.444 1.00 0.00 C ATOM 437 OG SER A 25 -6.550 8.502 -11.117 1.00 0.00 O ATOM 0 H SER A 25 -8.172 9.312 -8.946 1.00 0.00 H new ATOM 0 HA SER A 25 -7.425 11.054 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.606 8.268 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.933 9.130 -12.522 1.00 0.00 H new ATOM 0 HG SER A 25 -6.268 7.850 -11.792 1.00 0.00 H new ATOM 443 N ARG A 26 -9.617 12.157 -10.858 1.00 0.00 N ATOM 444 CA ARG A 26 -10.877 12.858 -11.086 1.00 0.00 C ATOM 445 C ARG A 26 -11.114 12.919 -12.568 1.00 0.00 C ATOM 446 O ARG A 26 -12.234 12.964 -13.041 1.00 0.00 O ATOM 447 CB ARG A 26 -10.811 14.278 -10.511 1.00 0.00 C ATOM 448 CG ARG A 26 -10.719 14.345 -8.991 1.00 0.00 C ATOM 449 CD ARG A 26 -11.998 13.836 -8.343 1.00 0.00 C ATOM 450 NE ARG A 26 -13.160 14.602 -8.793 1.00 0.00 N ATOM 451 CZ ARG A 26 -14.421 14.424 -8.399 1.00 0.00 C ATOM 452 NH1 ARG A 26 -14.711 13.557 -7.439 1.00 0.00 N ATOM 453 NH2 ARG A 26 -15.385 15.140 -8.955 1.00 0.00 N ATOM 0 H ARG A 26 -8.837 12.776 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.691 12.329 -10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.947 14.788 -10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.696 14.827 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.872 13.751 -8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.534 15.373 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.137 12.783 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.912 13.905 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.989 15.343 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.966 13.019 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.679 13.428 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.161 15.822 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.352 15.010 -8.659 1.00 0.00 H new ATOM 467 N ASP A 27 -10.020 12.879 -13.282 1.00 0.00 N ATOM 468 CA ASP A 27 -10.000 12.866 -14.722 1.00 0.00 C ATOM 469 C ASP A 27 -10.508 11.516 -15.227 1.00 0.00 C ATOM 470 O ASP A 27 -11.047 11.410 -16.324 1.00 0.00 O ATOM 471 CB ASP A 27 -8.574 13.157 -15.219 1.00 0.00 C ATOM 472 CG ASP A 27 -7.541 12.141 -14.758 1.00 0.00 C ATOM 473 OD1 ASP A 27 -7.228 12.079 -13.528 1.00 0.00 O ATOM 474 OD2 ASP A 27 -6.989 11.430 -15.609 1.00 0.00 O ATOM 0 H ASP A 27 -9.089 12.854 -12.865 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.658 13.642 -15.114 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.579 13.187 -16.309 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.275 14.147 -14.874 1.00 0.00 H new ATOM 479 N ASP A 28 -10.337 10.497 -14.397 1.00 0.00 N ATOM 480 CA ASP A 28 -10.886 9.166 -14.657 1.00 0.00 C ATOM 481 C ASP A 28 -12.354 9.214 -14.282 1.00 0.00 C ATOM 482 O ASP A 28 -13.242 9.023 -15.119 1.00 0.00 O ATOM 483 CB ASP A 28 -10.168 8.123 -13.783 1.00 0.00 C ATOM 484 CG ASP A 28 -10.633 6.688 -13.991 1.00 0.00 C ATOM 485 OD1 ASP A 28 -11.729 6.317 -13.539 1.00 0.00 O ATOM 486 OD2 ASP A 28 -9.861 5.890 -14.569 1.00 0.00 O ATOM 0 H ASP A 28 -9.815 10.565 -13.524 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.753 8.889 -15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.098 8.176 -13.983 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.310 8.388 -12.735 1.00 0.00 H new ATOM 491 N ASN A 29 -12.589 9.541 -13.020 1.00 0.00 N ATOM 492 CA ASN A 29 -13.919 9.705 -12.449 1.00 0.00 C ATOM 493 C ASN A 29 -13.739 10.272 -11.055 1.00 0.00 C ATOM 494 O ASN A 29 -13.979 11.449 -10.814 1.00 0.00 O ATOM 495 CB ASN A 29 -14.689 8.364 -12.386 1.00 0.00 C ATOM 496 CG ASN A 29 -16.150 8.523 -11.962 1.00 0.00 C ATOM 497 OD1 ASN A 29 -17.027 8.724 -12.805 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.437 8.374 -10.689 1.00 0.00 N ATOM 0 H ASN A 29 -11.841 9.704 -12.346 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.509 10.373 -13.077 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.652 7.886 -13.365 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.186 7.697 -11.686 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.406 8.423 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.690 8.209 -10.014 1.00 0.00 H new ATOM 505 N SER A 30 -13.258 9.431 -10.158 1.00 0.00 N ATOM 506 CA SER A 30 -12.925 9.817 -8.798 1.00 0.00 C ATOM 507 C SER A 30 -12.241 8.625 -8.151 1.00 0.00 C ATOM 508 O SER A 30 -12.237 8.460 -6.939 1.00 0.00 O ATOM 509 CB SER A 30 -14.201 10.214 -8.019 1.00 0.00 C ATOM 510 OG SER A 30 -13.899 10.778 -6.741 1.00 0.00 O ATOM 0 H SER A 30 -13.085 8.446 -10.356 1.00 0.00 H new ATOM 0 HA SER A 30 -12.265 10.684 -8.791 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.774 10.932 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.832 9.335 -7.887 1.00 0.00 H new ATOM 0 HG SER A 30 -14.732 11.016 -6.283 1.00 0.00 H new ATOM 516 N VAL A 31 -11.589 7.842 -8.977 1.00 0.00 N ATOM 517 CA VAL A 31 -11.016 6.595 -8.529 1.00 0.00 C ATOM 518 C VAL A 31 -9.608 6.821 -8.029 1.00 0.00 C ATOM 519 O VAL A 31 -8.845 7.606 -8.622 1.00 0.00 O ATOM 520 CB VAL A 31 -10.998 5.537 -9.670 1.00 0.00 C ATOM 521 CG1 VAL A 31 -10.549 4.169 -9.159 1.00 0.00 C ATOM 522 CG2 VAL A 31 -12.359 5.435 -10.338 1.00 0.00 C ATOM 0 H VAL A 31 -11.442 8.047 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.638 6.216 -7.718 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.273 5.871 -10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.548 3.455 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.543 4.247 -8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.234 3.827 -8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.320 4.689 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.105 5.141 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.630 6.402 -10.762 1.00 0.00 H new ATOM 532 N GLU A 32 -9.282 6.194 -6.932 1.00 0.00 N ATOM 533 CA GLU A 32 -7.958 6.240 -6.409 1.00 0.00 C ATOM 534 C GLU A 32 -7.131 5.174 -7.078 1.00 0.00 C ATOM 535 O GLU A 32 -7.318 3.988 -6.825 1.00 0.00 O ATOM 536 CB GLU A 32 -7.912 6.026 -4.897 1.00 0.00 C ATOM 537 CG GLU A 32 -8.614 7.080 -4.068 1.00 0.00 C ATOM 538 CD GLU A 32 -10.092 6.846 -3.923 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.491 6.037 -3.062 1.00 0.00 O ATOM 540 OE2 GLU A 32 -10.878 7.461 -4.638 1.00 0.00 O ATOM 0 H GLU A 32 -9.934 5.637 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.562 7.235 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.356 5.056 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.868 5.979 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.161 7.112 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.452 8.057 -4.524 1.00 0.00 H new ATOM 547 N LYS A 33 -6.270 5.573 -7.959 1.00 0.00 N ATOM 548 CA LYS A 33 -5.391 4.639 -8.609 1.00 0.00 C ATOM 549 C LYS A 33 -4.151 4.528 -7.760 1.00 0.00 C ATOM 550 O LYS A 33 -3.647 5.531 -7.254 1.00 0.00 O ATOM 551 CB LYS A 33 -5.059 5.073 -10.047 1.00 0.00 C ATOM 552 CG LYS A 33 -6.276 5.189 -10.969 1.00 0.00 C ATOM 553 CD LYS A 33 -7.038 3.870 -11.083 1.00 0.00 C ATOM 554 CE LYS A 33 -8.276 4.013 -11.963 1.00 0.00 C ATOM 555 NZ LYS A 33 -7.953 4.330 -13.366 1.00 0.00 N ATOM 0 H LYS A 33 -6.152 6.544 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.875 3.667 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.550 6.036 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.359 4.357 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.945 5.962 -10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.951 5.506 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.382 3.105 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.334 3.532 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.848 3.086 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.915 4.797 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.469 5.185 -13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.930 4.494 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.232 3.534 -13.975 1.00 0.00 H new ATOM 569 N TYR A 34 -3.678 3.344 -7.563 1.00 0.00 N ATOM 570 CA TYR A 34 -2.583 3.155 -6.664 1.00 0.00 C ATOM 571 C TYR A 34 -1.296 2.937 -7.424 1.00 0.00 C ATOM 572 O TYR A 34 -1.274 2.240 -8.450 1.00 0.00 O ATOM 573 CB TYR A 34 -2.882 2.003 -5.704 1.00 0.00 C ATOM 574 CG TYR A 34 -4.200 2.182 -4.964 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.322 3.091 -3.926 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.324 1.455 -5.327 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.527 3.263 -3.266 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.527 1.624 -4.673 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.623 2.526 -3.646 1.00 0.00 C ATOM 580 OH TYR A 34 -7.821 2.688 -2.989 1.00 0.00 O ATOM 0 H TYR A 34 -4.027 2.495 -8.008 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.454 4.059 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.908 1.067 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.072 1.919 -4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.464 3.675 -3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.256 0.743 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.605 3.973 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.390 1.047 -4.970 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.493 2.093 -3.382 1.00 0.00 H new ATOM 590 N VAL A 35 -0.237 3.550 -6.933 1.00 0.00 N ATOM 591 CA VAL A 35 1.083 3.461 -7.546 1.00 0.00 C ATOM 592 C VAL A 35 1.635 2.017 -7.442 1.00 0.00 C ATOM 593 O VAL A 35 1.217 1.233 -6.584 1.00 0.00 O ATOM 594 CB VAL A 35 2.076 4.475 -6.866 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.346 4.109 -5.428 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.383 4.645 -7.636 1.00 0.00 C ATOM 0 H VAL A 35 -0.263 4.128 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 35 0.989 3.721 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 35 1.572 5.441 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.036 4.832 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.410 4.117 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.787 3.113 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.023 5.357 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.892 3.684 -7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.169 5.016 -8.638 1.00 0.00 H new ATOM 606 N LEU A 36 2.561 1.693 -8.319 1.00 0.00 N ATOM 607 CA LEU A 36 3.206 0.383 -8.385 1.00 0.00 C ATOM 608 C LEU A 36 4.243 0.223 -7.252 1.00 0.00 C ATOM 609 O LEU A 36 4.868 -0.823 -7.090 1.00 0.00 O ATOM 610 CB LEU A 36 3.863 0.200 -9.762 1.00 0.00 C ATOM 611 CG LEU A 36 4.429 -1.188 -10.080 1.00 0.00 C ATOM 612 CD1 LEU A 36 3.327 -2.241 -10.046 1.00 0.00 C ATOM 613 CD2 LEU A 36 5.118 -1.184 -11.433 1.00 0.00 C ATOM 0 H LEU A 36 2.900 2.344 -9.027 1.00 0.00 H new ATOM 0 HA LEU A 36 2.450 -0.391 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.126 0.449 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.672 0.925 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 36 5.166 -1.439 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.751 -3.219 -10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.876 -2.264 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.565 -1.994 -10.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.514 -2.178 -11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.400 -0.909 -12.206 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.935 -0.463 -11.423 1.00 0.00 H new ATOM 625 N THR A 37 4.421 1.261 -6.480 1.00 0.00 N ATOM 626 CA THR A 37 5.417 1.286 -5.475 1.00 0.00 C ATOM 627 C THR A 37 4.862 0.731 -4.138 1.00 0.00 C ATOM 628 O THR A 37 3.686 0.876 -3.823 1.00 0.00 O ATOM 629 CB THR A 37 5.793 2.775 -5.333 1.00 0.00 C ATOM 630 OG1 THR A 37 6.441 3.229 -6.526 1.00 0.00 O ATOM 631 CG2 THR A 37 6.625 3.079 -4.126 1.00 0.00 C ATOM 0 H THR A 37 3.867 2.115 -6.542 1.00 0.00 H new ATOM 0 HA THR A 37 6.276 0.666 -5.732 1.00 0.00 H new ATOM 0 HB THR A 37 4.860 3.319 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.676 4.176 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.848 4.146 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.077 2.798 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.556 2.515 -4.175 1.00 0.00 H new ATOM 639 N SER A 38 5.739 0.076 -3.402 1.00 0.00 N ATOM 640 CA SER A 38 5.449 -0.522 -2.125 1.00 0.00 C ATOM 641 C SER A 38 6.528 -0.127 -1.090 1.00 0.00 C ATOM 642 O SER A 38 6.773 -0.859 -0.133 1.00 0.00 O ATOM 643 CB SER A 38 5.372 -2.031 -2.308 1.00 0.00 C ATOM 644 OG SER A 38 4.412 -2.360 -3.315 1.00 0.00 O ATOM 0 H SER A 38 6.708 -0.056 -3.693 1.00 0.00 H new ATOM 0 HA SER A 38 4.494 -0.161 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.351 -2.421 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.098 -2.505 -1.366 1.00 0.00 H new ATOM 0 HG SER A 38 4.373 -3.333 -3.424 1.00 0.00 H new ATOM 650 N HIS A 39 7.171 1.021 -1.311 1.00 0.00 N ATOM 651 CA HIS A 39 8.262 1.497 -0.434 1.00 0.00 C ATOM 652 C HIS A 39 7.829 1.643 1.017 1.00 0.00 C ATOM 653 O HIS A 39 6.877 2.353 1.329 1.00 0.00 O ATOM 654 CB HIS A 39 8.878 2.813 -0.929 1.00 0.00 C ATOM 655 CG HIS A 39 9.719 2.681 -2.162 1.00 0.00 C ATOM 656 ND1 HIS A 39 9.780 3.643 -3.139 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.577 1.711 -2.546 1.00 0.00 C ATOM 658 CE1 HIS A 39 10.630 3.273 -4.064 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.128 2.107 -3.729 1.00 0.00 N ATOM 0 H HIS A 39 6.960 1.645 -2.090 1.00 0.00 H new ATOM 0 HA HIS A 39 9.026 0.721 -0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.075 3.523 -1.127 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.489 3.236 -0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.787 0.794 -2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.879 3.834 -4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.817 1.581 -4.267 1.00 0.00 H new ATOM 668 N VAL A 40 8.545 0.986 1.885 1.00 0.00 N ATOM 669 CA VAL A 40 8.245 0.983 3.298 1.00 0.00 C ATOM 670 C VAL A 40 9.048 2.019 4.079 1.00 0.00 C ATOM 671 O VAL A 40 10.117 2.478 3.639 1.00 0.00 O ATOM 672 CB VAL A 40 8.388 -0.427 3.943 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.230 -1.309 3.518 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.703 -1.088 3.540 1.00 0.00 C ATOM 0 H VAL A 40 9.363 0.430 1.634 1.00 0.00 H new ATOM 0 HA VAL A 40 7.195 1.268 3.364 1.00 0.00 H new ATOM 0 HB VAL A 40 8.381 -0.304 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.337 -2.294 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.292 -0.859 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.228 -1.409 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.774 -2.071 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.738 -1.197 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.537 -0.469 3.870 1.00 0.00 H new ATOM 684 N SER A 41 8.507 2.416 5.196 1.00 0.00 N ATOM 685 CA SER A 41 9.118 3.353 6.080 1.00 0.00 C ATOM 686 C SER A 41 8.925 2.845 7.515 1.00 0.00 C ATOM 687 O SER A 41 7.979 2.089 7.797 1.00 0.00 O ATOM 688 CB SER A 41 8.458 4.736 5.896 1.00 0.00 C ATOM 689 OG SER A 41 9.100 5.751 6.668 1.00 0.00 O ATOM 0 H SER A 41 7.600 2.083 5.522 1.00 0.00 H new ATOM 0 HA SER A 41 10.182 3.453 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.486 5.012 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.408 4.676 6.181 1.00 0.00 H new ATOM 0 HG SER A 41 10.067 5.717 6.514 1.00 0.00 H new ATOM 695 N LYS A 42 9.813 3.239 8.403 1.00 0.00 N ATOM 696 CA LYS A 42 9.743 2.841 9.811 1.00 0.00 C ATOM 697 C LYS A 42 8.938 3.869 10.588 1.00 0.00 C ATOM 698 O LYS A 42 8.776 3.779 11.812 1.00 0.00 O ATOM 699 CB LYS A 42 11.149 2.778 10.409 1.00 0.00 C ATOM 700 CG LYS A 42 12.119 1.913 9.640 1.00 0.00 C ATOM 701 CD LYS A 42 13.483 1.911 10.299 1.00 0.00 C ATOM 702 CE LYS A 42 14.493 1.120 9.492 1.00 0.00 C ATOM 703 NZ LYS A 42 14.116 -0.298 9.344 1.00 0.00 N ATOM 0 H LYS A 42 10.605 3.842 8.180 1.00 0.00 H new ATOM 0 HA LYS A 42 9.270 1.861 9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.551 3.789 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.079 2.404 11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.737 0.894 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.206 2.279 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.833 2.937 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.403 1.486 11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.596 1.570 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.468 1.184 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.900 -0.821 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.912 -0.702 10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.270 -0.371 8.743 1.00 0.00 H new ATOM 717 N ASN A 43 8.454 4.844 9.876 1.00 0.00 N ATOM 718 CA ASN A 43 7.733 5.940 10.461 1.00 0.00 C ATOM 719 C ASN A 43 6.277 5.623 10.579 1.00 0.00 C ATOM 720 O ASN A 43 5.650 5.175 9.617 1.00 0.00 O ATOM 721 CB ASN A 43 7.913 7.219 9.636 1.00 0.00 C ATOM 722 CG ASN A 43 9.321 7.771 9.693 1.00 0.00 C ATOM 723 OD1 ASN A 43 9.635 8.596 10.552 1.00 0.00 O ATOM 724 ND2 ASN A 43 10.162 7.356 8.782 1.00 0.00 N ATOM 0 H ASN A 43 8.549 4.903 8.862 1.00 0.00 H new ATOM 0 HA ASN A 43 8.141 6.102 11.459 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.652 7.014 8.598 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.217 7.977 9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.116 7.717 8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.864 6.671 8.087 1.00 0.00 H new ATOM 731 N ARG A 44 5.746 5.806 11.759 1.00 0.00 N ATOM 732 CA ARG A 44 4.338 5.655 11.979 1.00 0.00 C ATOM 733 C ARG A 44 3.785 7.066 12.114 1.00 0.00 C ATOM 734 O ARG A 44 3.920 7.684 13.181 1.00 0.00 O ATOM 735 CB ARG A 44 4.047 4.864 13.258 1.00 0.00 C ATOM 736 CG ARG A 44 4.873 3.595 13.441 1.00 0.00 C ATOM 737 CD ARG A 44 4.275 2.709 14.525 1.00 0.00 C ATOM 738 NE ARG A 44 3.989 3.445 15.762 1.00 0.00 N ATOM 739 CZ ARG A 44 2.792 3.454 16.376 1.00 0.00 C ATOM 740 NH1 ARG A 44 1.800 2.689 15.926 1.00 0.00 N ATOM 741 NH2 ARG A 44 2.600 4.216 17.437 1.00 0.00 N ATOM 0 H ARG A 44 6.278 6.063 12.590 1.00 0.00 H new ATOM 0 HA ARG A 44 3.880 5.104 11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.217 5.515 14.115 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.991 4.595 13.267 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.917 3.046 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.897 3.858 13.705 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.355 2.258 14.154 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.964 1.893 14.743 1.00 0.00 H new ATOM 0 HE ARG A 44 4.746 3.984 16.183 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.945 2.092 15.112 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.894 2.700 16.395 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.359 4.798 17.791 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.692 4.223 17.902 1.00 0.00 H new ATOM 755 N PRO A 45 3.242 7.628 11.041 1.00 0.00 N ATOM 756 CA PRO A 45 2.824 9.022 11.014 1.00 0.00 C ATOM 757 C PRO A 45 1.440 9.266 11.606 1.00 0.00 C ATOM 758 O PRO A 45 0.496 8.520 11.363 1.00 0.00 O ATOM 759 CB PRO A 45 2.843 9.348 9.534 1.00 0.00 C ATOM 760 CG PRO A 45 2.480 8.067 8.863 1.00 0.00 C ATOM 761 CD PRO A 45 2.964 6.953 9.758 1.00 0.00 C ATOM 0 HA PRO A 45 3.476 9.647 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.131 10.138 9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.826 9.697 9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.402 8.001 8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.944 8.001 7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.210 6.174 9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.857 6.476 9.355 1.00 0.00 H new ATOM 769 N LYS A 46 1.334 10.319 12.371 1.00 0.00 N ATOM 770 CA LYS A 46 0.082 10.683 12.993 1.00 0.00 C ATOM 771 C LYS A 46 -0.575 11.819 12.234 1.00 0.00 C ATOM 772 O LYS A 46 -1.788 11.989 12.280 1.00 0.00 O ATOM 773 CB LYS A 46 0.318 11.089 14.445 1.00 0.00 C ATOM 774 CG LYS A 46 0.934 9.987 15.280 1.00 0.00 C ATOM 775 CD LYS A 46 1.211 10.442 16.692 1.00 0.00 C ATOM 776 CE LYS A 46 1.875 9.343 17.491 1.00 0.00 C ATOM 777 NZ LYS A 46 2.217 9.778 18.851 1.00 0.00 N ATOM 0 H LYS A 46 2.108 10.949 12.582 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.583 9.820 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.970 11.962 14.470 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.631 11.387 14.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.263 9.128 15.300 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.863 9.655 14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.852 11.324 16.675 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.278 10.735 17.174 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.210 8.481 17.543 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.779 9.017 16.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.670 8.994 19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.872 10.584 18.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.352 10.064 19.352 1.00 0.00 H new ATOM 791 N ASN A 47 0.222 12.575 11.514 1.00 0.00 N ATOM 792 CA ASN A 47 -0.287 13.723 10.778 1.00 0.00 C ATOM 793 C ASN A 47 -0.638 13.334 9.365 1.00 0.00 C ATOM 794 O ASN A 47 -1.479 13.972 8.717 1.00 0.00 O ATOM 795 CB ASN A 47 0.723 14.876 10.767 1.00 0.00 C ATOM 796 CG ASN A 47 1.131 15.356 12.155 1.00 0.00 C ATOM 797 OD1 ASN A 47 2.252 15.829 12.347 1.00 0.00 O ATOM 798 ND2 ASN A 47 0.239 15.276 13.119 1.00 0.00 N ATOM 0 H ASN A 47 1.226 12.421 11.419 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.188 14.065 11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.615 14.559 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.297 15.714 10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.468 15.611 14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.682 14.879 12.930 1.00 0.00 H new ATOM 805 N ALA A 48 -0.003 12.296 8.880 1.00 0.00 N ATOM 806 CA ALA A 48 -0.277 11.801 7.557 1.00 0.00 C ATOM 807 C ALA A 48 -1.443 10.845 7.620 1.00 0.00 C ATOM 808 O ALA A 48 -1.797 10.351 8.708 1.00 0.00 O ATOM 809 CB ALA A 48 0.945 11.129 6.954 1.00 0.00 C ATOM 0 H ALA A 48 0.712 11.775 9.387 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.532 12.640 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.705 10.766 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.762 11.848 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.246 10.290 7.582 1.00 0.00 H new ATOM 815 N ILE A 49 -2.030 10.578 6.493 1.00 0.00 N ATOM 816 CA ILE A 49 -3.188 9.722 6.440 1.00 0.00 C ATOM 817 C ILE A 49 -2.753 8.274 6.399 1.00 0.00 C ATOM 818 O ILE A 49 -1.921 7.888 5.561 1.00 0.00 O ATOM 819 CB ILE A 49 -4.082 10.035 5.199 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.541 11.506 5.209 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.290 9.093 5.127 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.352 11.899 6.431 1.00 0.00 C ATOM 0 H ILE A 49 -1.728 10.941 5.589 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.780 9.908 7.336 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.476 9.870 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.663 12.149 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.137 11.695 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.891 9.338 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.944 8.062 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.895 9.208 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.634 12.949 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.251 11.284 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.754 11.746 7.329 1.00 0.00 H new ATOM 834 N VAL A 50 -3.264 7.494 7.314 1.00 0.00 N ATOM 835 CA VAL A 50 -2.995 6.090 7.321 1.00 0.00 C ATOM 836 C VAL A 50 -4.258 5.330 6.967 1.00 0.00 C ATOM 837 O VAL A 50 -5.352 5.661 7.438 1.00 0.00 O ATOM 838 CB VAL A 50 -2.369 5.567 8.658 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.035 6.242 8.932 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.304 5.745 9.844 1.00 0.00 C ATOM 0 H VAL A 50 -3.873 7.815 8.067 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.231 5.910 6.565 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.205 4.497 8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.620 5.862 9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.345 6.029 8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.182 7.319 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.823 5.367 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.533 6.803 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.227 5.193 9.666 1.00 0.00 H new ATOM 850 N ILE A 51 -4.129 4.395 6.081 1.00 0.00 N ATOM 851 CA ILE A 51 -5.244 3.572 5.657 1.00 0.00 C ATOM 852 C ILE A 51 -4.836 2.132 5.876 1.00 0.00 C ATOM 853 O ILE A 51 -3.742 1.768 5.512 1.00 0.00 O ATOM 854 CB ILE A 51 -5.556 3.791 4.142 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.808 5.282 3.848 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.758 2.953 3.716 1.00 0.00 C ATOM 857 CD1 ILE A 51 -6.044 5.598 2.382 1.00 0.00 C ATOM 0 H ILE A 51 -3.247 4.170 5.621 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.138 3.832 6.224 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.689 3.470 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.673 5.613 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.953 5.859 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.960 3.119 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.543 1.898 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.630 3.243 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.213 6.668 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.171 5.302 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.918 5.051 2.028 1.00 0.00 H new ATOM 869 N LYS A 52 -5.670 1.330 6.493 1.00 0.00 N ATOM 870 CA LYS A 52 -5.306 -0.049 6.755 1.00 0.00 C ATOM 871 C LYS A 52 -5.407 -0.880 5.466 1.00 0.00 C ATOM 872 O LYS A 52 -6.260 -0.609 4.609 1.00 0.00 O ATOM 873 CB LYS A 52 -6.167 -0.639 7.887 1.00 0.00 C ATOM 874 CG LYS A 52 -5.764 -2.052 8.321 1.00 0.00 C ATOM 875 CD LYS A 52 -6.644 -2.587 9.449 1.00 0.00 C ATOM 876 CE LYS A 52 -6.441 -1.841 10.773 1.00 0.00 C ATOM 877 NZ LYS A 52 -5.084 -2.051 11.341 1.00 0.00 N ATOM 0 H LYS A 52 -6.597 1.601 6.822 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.270 -0.081 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.111 0.023 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.208 -0.655 7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.827 -2.724 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.724 -2.047 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.690 -2.512 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.430 -3.645 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.604 -0.775 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.188 -2.175 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.082 -1.781 12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.822 -3.053 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.397 -1.466 10.824 1.00 0.00 H new ATOM 891 N MET A 53 -4.538 -1.900 5.361 1.00 0.00 N ATOM 892 CA MET A 53 -4.399 -2.795 4.175 1.00 0.00 C ATOM 893 C MET A 53 -5.732 -3.338 3.683 1.00 0.00 C ATOM 894 O MET A 53 -5.925 -3.554 2.493 1.00 0.00 O ATOM 895 CB MET A 53 -3.502 -3.990 4.512 1.00 0.00 C ATOM 896 CG MET A 53 -2.078 -3.639 4.902 1.00 0.00 C ATOM 897 SD MET A 53 -1.082 -5.094 5.298 1.00 0.00 S ATOM 898 CE MET A 53 -1.957 -5.754 6.722 1.00 0.00 C ATOM 0 H MET A 53 -3.891 -2.140 6.112 1.00 0.00 H new ATOM 0 HA MET A 53 -3.961 -2.182 3.387 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.959 -4.548 5.330 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.472 -4.656 3.650 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.606 -3.093 4.085 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.096 -2.971 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.294 -6.413 7.283 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.280 -4.934 7.363 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.828 -6.316 6.385 1.00 0.00 H new ATOM 908 N ASP A 54 -6.648 -3.514 4.604 1.00 0.00 N ATOM 909 CA ASP A 54 -7.958 -4.101 4.343 1.00 0.00 C ATOM 910 C ASP A 54 -8.806 -3.263 3.365 1.00 0.00 C ATOM 911 O ASP A 54 -9.705 -3.788 2.698 1.00 0.00 O ATOM 912 CB ASP A 54 -8.696 -4.290 5.663 1.00 0.00 C ATOM 913 CG ASP A 54 -10.031 -4.958 5.496 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.063 -6.162 5.201 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.075 -4.309 5.705 1.00 0.00 O ATOM 0 H ASP A 54 -6.509 -3.250 5.580 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.798 -5.065 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.079 -4.885 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.838 -3.318 6.136 1.00 0.00 H new ATOM 920 N ASN A 55 -8.496 -1.987 3.254 1.00 0.00 N ATOM 921 CA ASN A 55 -9.241 -1.085 2.370 1.00 0.00 C ATOM 922 C ASN A 55 -8.639 -1.092 0.959 1.00 0.00 C ATOM 923 O ASN A 55 -9.240 -0.607 0.002 1.00 0.00 O ATOM 924 CB ASN A 55 -9.249 0.344 2.966 1.00 0.00 C ATOM 925 CG ASN A 55 -10.045 1.374 2.151 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.257 1.518 2.322 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.369 2.125 1.300 1.00 0.00 N ATOM 0 H ASN A 55 -7.732 -1.541 3.763 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.271 -1.434 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.662 0.300 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.220 0.691 3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.850 2.847 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.366 1.983 1.179 1.00 0.00 H new ATOM 934 N LEU A 56 -7.474 -1.674 0.831 1.00 0.00 N ATOM 935 CA LEU A 56 -6.777 -1.707 -0.437 1.00 0.00 C ATOM 936 C LEU A 56 -7.200 -2.926 -1.237 1.00 0.00 C ATOM 937 O LEU A 56 -7.365 -4.007 -0.670 1.00 0.00 O ATOM 938 CB LEU A 56 -5.237 -1.691 -0.250 1.00 0.00 C ATOM 939 CG LEU A 56 -4.583 -0.362 0.207 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.843 0.748 -0.791 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.039 0.053 1.591 1.00 0.00 C ATOM 0 H LEU A 56 -6.981 -2.137 1.595 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.049 -0.806 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.979 -2.460 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.781 -1.982 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.509 -0.541 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.372 1.668 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.427 0.471 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.917 0.905 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.554 0.989 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.120 0.190 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.771 -0.721 2.310 1.00 0.00 H new ATOM 953 N PRO A 57 -7.426 -2.764 -2.557 1.00 0.00 N ATOM 954 CA PRO A 57 -7.800 -3.874 -3.449 1.00 0.00 C ATOM 955 C PRO A 57 -6.765 -5.005 -3.428 1.00 0.00 C ATOM 956 O PRO A 57 -5.572 -4.779 -3.112 1.00 0.00 O ATOM 957 CB PRO A 57 -7.829 -3.223 -4.835 1.00 0.00 C ATOM 958 CG PRO A 57 -8.088 -1.789 -4.568 1.00 0.00 C ATOM 959 CD PRO A 57 -7.372 -1.483 -3.289 1.00 0.00 C ATOM 0 HA PRO A 57 -8.744 -4.332 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.884 -3.364 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.609 -3.657 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.719 -1.166 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.156 -1.594 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.345 -1.165 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.862 -0.682 -2.735 1.00 0.00 H new ATOM 967 N ILE A 58 -7.198 -6.204 -3.796 1.00 0.00 N ATOM 968 CA ILE A 58 -6.342 -7.380 -3.766 1.00 0.00 C ATOM 969 C ILE A 58 -5.092 -7.245 -4.634 1.00 0.00 C ATOM 970 O ILE A 58 -4.039 -7.741 -4.272 1.00 0.00 O ATOM 971 CB ILE A 58 -7.122 -8.727 -4.002 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.959 -8.753 -5.312 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.014 -9.028 -2.813 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.170 -8.946 -6.594 1.00 0.00 C ATOM 0 H ILE A 58 -8.147 -6.387 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.974 -7.437 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.361 -9.499 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.694 -9.554 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.513 -7.817 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.549 -9.962 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.404 -9.121 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.731 -8.218 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.852 -8.948 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.453 -8.132 -6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.637 -9.896 -6.554 1.00 0.00 H new ATOM 986 N GLU A 59 -5.208 -6.501 -5.737 1.00 0.00 N ATOM 987 CA GLU A 59 -4.082 -6.242 -6.639 1.00 0.00 C ATOM 988 C GLU A 59 -2.984 -5.458 -5.923 1.00 0.00 C ATOM 989 O GLU A 59 -1.795 -5.697 -6.128 1.00 0.00 O ATOM 990 CB GLU A 59 -4.548 -5.436 -7.848 1.00 0.00 C ATOM 991 CG GLU A 59 -5.565 -6.133 -8.727 1.00 0.00 C ATOM 992 CD GLU A 59 -6.092 -5.219 -9.797 1.00 0.00 C ATOM 993 OE1 GLU A 59 -7.036 -4.446 -9.522 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.557 -5.221 -10.924 1.00 0.00 O ATOM 0 H GLU A 59 -6.081 -6.063 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.687 -7.205 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.976 -4.497 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.678 -5.183 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.108 -7.009 -9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.392 -6.491 -8.114 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.396 -4.541 -5.066 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.470 -3.690 -4.344 1.00 0.00 C ATOM 1003 C VAL A 60 -1.813 -4.489 -3.239 1.00 0.00 C ATOM 1004 O VAL A 60 -0.591 -4.484 -3.097 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.187 -2.455 -3.743 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.197 -1.511 -3.061 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.970 -1.722 -4.815 1.00 0.00 C ATOM 0 H VAL A 60 -4.378 -4.366 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.716 -3.331 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.883 -2.811 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.734 -0.656 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.686 -2.039 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.464 -1.164 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.467 -0.857 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.290 -1.390 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.717 -2.392 -5.242 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.636 -5.229 -2.502 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.156 -6.059 -1.400 1.00 0.00 C ATOM 1019 C LYS A 61 -1.204 -7.113 -1.911 1.00 0.00 C ATOM 1020 O LYS A 61 -0.231 -7.462 -1.252 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.319 -6.703 -0.659 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.278 -5.689 -0.080 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.312 -6.324 0.846 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.217 -7.309 0.120 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.192 -7.934 1.038 1.00 0.00 N ATOM 0 H LYS A 61 -3.645 -5.271 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.621 -5.419 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.860 -7.359 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.930 -7.329 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.716 -4.935 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.790 -5.173 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.800 -6.838 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.921 -5.541 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.749 -6.793 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.610 -8.084 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.791 -8.599 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.684 -8.447 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.788 -7.197 1.466 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.488 -7.590 -3.098 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.636 -8.547 -3.806 1.00 0.00 C ATOM 1041 C ASP A 62 0.757 -7.981 -3.998 1.00 0.00 C ATOM 1042 O ASP A 62 1.744 -8.596 -3.605 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.259 -8.922 -5.160 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.270 -9.508 -6.143 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.281 -10.604 -5.904 1.00 0.00 O ATOM 1046 OD2 ASP A 62 -0.001 -8.861 -7.162 1.00 0.00 O ATOM 0 H ASP A 62 -2.326 -7.328 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.557 -9.451 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.062 -9.640 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.712 -8.034 -5.600 1.00 0.00 H new ATOM 1051 N LYS A 63 0.826 -6.785 -4.544 1.00 0.00 N ATOM 1052 CA LYS A 63 2.093 -6.125 -4.789 1.00 0.00 C ATOM 1053 C LYS A 63 2.823 -5.805 -3.487 1.00 0.00 C ATOM 1054 O LYS A 63 4.056 -5.927 -3.411 1.00 0.00 O ATOM 1055 CB LYS A 63 1.878 -4.888 -5.649 1.00 0.00 C ATOM 1056 CG LYS A 63 1.261 -5.214 -7.004 1.00 0.00 C ATOM 1057 CD LYS A 63 2.165 -6.135 -7.817 1.00 0.00 C ATOM 1058 CE LYS A 63 1.585 -6.470 -9.185 1.00 0.00 C ATOM 1059 NZ LYS A 63 0.264 -7.130 -9.098 1.00 0.00 N ATOM 0 H LYS A 63 0.010 -6.244 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 63 2.740 -6.808 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.231 -4.189 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.833 -4.385 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.290 -5.688 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.086 -4.292 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.138 -5.661 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.331 -7.058 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.492 -5.555 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.277 -7.121 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.207 -7.887 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.141 -7.536 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.486 -6.431 -9.275 1.00 0.00 H new ATOM 1073 N LEU A 64 2.064 -5.445 -2.457 1.00 0.00 N ATOM 1074 CA LEU A 64 2.628 -5.199 -1.127 1.00 0.00 C ATOM 1075 C LEU A 64 3.255 -6.492 -0.588 1.00 0.00 C ATOM 1076 O LEU A 64 4.363 -6.486 -0.015 1.00 0.00 O ATOM 1077 CB LEU A 64 1.543 -4.703 -0.149 1.00 0.00 C ATOM 1078 CG LEU A 64 0.792 -3.415 -0.529 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.231 -3.061 0.539 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.754 -2.255 -0.747 1.00 0.00 C ATOM 0 H LEU A 64 1.054 -5.316 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 64 3.391 -4.426 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.809 -5.499 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.010 -4.548 0.824 1.00 0.00 H new ATOM 0 HG LEU A 64 0.271 -3.599 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.753 -2.147 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.950 -3.874 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.276 -2.907 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.191 -1.361 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.315 -2.071 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.446 -2.502 -1.552 1.00 0.00 H new ATOM 1092 N THR A 65 2.559 -7.594 -0.808 1.00 0.00 N ATOM 1093 CA THR A 65 3.014 -8.901 -0.401 1.00 0.00 C ATOM 1094 C THR A 65 4.290 -9.273 -1.153 1.00 0.00 C ATOM 1095 O THR A 65 5.262 -9.694 -0.550 1.00 0.00 O ATOM 1096 CB THR A 65 1.918 -9.978 -0.632 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.693 -9.586 0.032 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.360 -11.337 -0.095 1.00 0.00 C ATOM 0 H THR A 65 1.654 -7.601 -1.279 1.00 0.00 H new ATOM 0 HA THR A 65 3.228 -8.866 0.667 1.00 0.00 H new ATOM 0 HB THR A 65 1.752 -10.061 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.211 -8.940 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.573 -12.071 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.270 -11.651 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.552 -11.260 0.975 1.00 0.00 H new ATOM 1106 N ARG A 66 4.298 -9.044 -2.457 1.00 0.00 N ATOM 1107 CA ARG A 66 5.442 -9.388 -3.293 1.00 0.00 C ATOM 1108 C ARG A 66 6.696 -8.619 -2.892 1.00 0.00 C ATOM 1109 O ARG A 66 7.797 -9.140 -2.996 1.00 0.00 O ATOM 1110 CB ARG A 66 5.167 -9.130 -4.774 1.00 0.00 C ATOM 1111 CG ARG A 66 3.983 -9.868 -5.356 1.00 0.00 C ATOM 1112 CD ARG A 66 3.866 -9.571 -6.834 1.00 0.00 C ATOM 1113 NE ARG A 66 2.628 -10.077 -7.423 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.431 -10.280 -8.730 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.419 -10.083 -9.597 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.236 -10.654 -9.163 1.00 0.00 N ATOM 0 H ARG A 66 3.521 -8.619 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 66 5.609 -10.454 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.011 -8.061 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.057 -9.400 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.100 -10.940 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.069 -9.569 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.921 -8.493 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.716 -10.011 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 66 1.857 -10.291 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.334 -9.775 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.263 -10.240 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.472 -10.786 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.080 -10.810 -10.159 1.00 0.00 H new ATOM 1130 N PHE A 67 6.535 -7.392 -2.439 1.00 0.00 N ATOM 1131 CA PHE A 67 7.690 -6.585 -2.102 1.00 0.00 C ATOM 1132 C PHE A 67 8.172 -6.868 -0.681 1.00 0.00 C ATOM 1133 O PHE A 67 9.309 -7.319 -0.479 1.00 0.00 O ATOM 1134 CB PHE A 67 7.361 -5.086 -2.262 1.00 0.00 C ATOM 1135 CG PHE A 67 8.556 -4.143 -2.183 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.275 -3.841 -3.326 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.944 -3.542 -0.977 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.349 -2.973 -3.281 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.019 -2.677 -0.934 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.720 -2.392 -2.086 1.00 0.00 C ATOM 0 H PHE A 67 5.633 -6.938 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 67 8.493 -6.850 -2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.867 -4.940 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.645 -4.804 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.993 -4.290 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.396 -3.758 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.899 -2.749 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.311 -2.224 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.560 -1.714 -2.053 1.00 0.00 H new ATOM 1150 N PHE A 68 7.314 -6.643 0.297 1.00 0.00 N ATOM 1151 CA PHE A 68 7.738 -6.740 1.684 1.00 0.00 C ATOM 1152 C PHE A 68 6.967 -7.766 2.517 1.00 0.00 C ATOM 1153 O PHE A 68 7.554 -8.462 3.351 1.00 0.00 O ATOM 1154 CB PHE A 68 7.701 -5.353 2.369 1.00 0.00 C ATOM 1155 CG PHE A 68 6.338 -4.702 2.399 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.909 -3.896 1.358 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.486 -4.906 3.470 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.667 -3.314 1.387 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.242 -4.328 3.497 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.831 -3.530 2.456 1.00 0.00 C ATOM 0 H PHE A 68 6.334 -6.395 0.162 1.00 0.00 H new ATOM 0 HA PHE A 68 8.764 -7.106 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.061 -5.458 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.395 -4.689 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.560 -3.724 0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.804 -5.527 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.346 -2.686 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.585 -4.500 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.852 -3.073 2.478 1.00 0.00 H new ATOM 1170 N LEU A 69 5.668 -7.900 2.283 1.00 0.00 N ATOM 1171 CA LEU A 69 4.819 -8.684 3.184 1.00 0.00 C ATOM 1172 C LEU A 69 4.782 -10.168 2.779 1.00 0.00 C ATOM 1173 O LEU A 69 3.851 -10.904 3.087 1.00 0.00 O ATOM 1174 CB LEU A 69 3.411 -8.055 3.265 1.00 0.00 C ATOM 1175 CG LEU A 69 2.519 -8.517 4.421 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.122 -8.109 5.763 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.119 -7.950 4.263 1.00 0.00 C ATOM 0 H LEU A 69 5.180 -7.484 1.490 1.00 0.00 H new ATOM 0 HA LEU A 69 5.251 -8.657 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.525 -6.973 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.891 -8.262 2.330 1.00 0.00 H new ATOM 0 HG LEU A 69 2.455 -9.605 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.473 -8.447 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.106 -8.565 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.218 -7.024 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.495 -8.286 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.165 -6.861 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.690 -8.296 3.322 1.00 0.00 H new ATOM 1189 N LEU A 70 5.853 -10.597 2.144 1.00 0.00 N ATOM 1190 CA LEU A 70 6.044 -11.979 1.764 1.00 0.00 C ATOM 1191 C LEU A 70 6.489 -12.789 2.968 1.00 0.00 C ATOM 1192 O LEU A 70 6.533 -14.022 2.938 1.00 0.00 O ATOM 1193 CB LEU A 70 7.029 -12.089 0.570 1.00 0.00 C ATOM 1194 CG LEU A 70 8.366 -11.301 0.653 1.00 0.00 C ATOM 1195 CD1 LEU A 70 9.346 -11.886 1.662 1.00 0.00 C ATOM 1196 CD2 LEU A 70 9.001 -11.207 -0.714 1.00 0.00 C ATOM 0 H LEU A 70 6.625 -9.987 1.874 1.00 0.00 H new ATOM 0 HA LEU A 70 5.097 -12.397 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.270 -13.143 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.504 -11.762 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 70 8.120 -10.301 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.258 -11.290 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.896 -11.875 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.586 -12.912 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.937 -10.653 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.201 -12.210 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.324 -10.691 -1.395 1.00 0.00 H new ATOM 1208 N GLU A 71 6.835 -12.074 4.020 1.00 0.00 N ATOM 1209 CA GLU A 71 7.197 -12.670 5.265 1.00 0.00 C ATOM 1210 C GLU A 71 5.906 -13.058 5.953 1.00 0.00 C ATOM 1211 O GLU A 71 5.188 -12.210 6.506 1.00 0.00 O ATOM 1212 CB GLU A 71 8.042 -11.680 6.109 1.00 0.00 C ATOM 1213 CG GLU A 71 8.686 -12.246 7.393 1.00 0.00 C ATOM 1214 CD GLU A 71 7.707 -12.590 8.506 1.00 0.00 C ATOM 1215 OE1 GLU A 71 7.275 -11.669 9.238 1.00 0.00 O ATOM 1216 OE2 GLU A 71 7.385 -13.786 8.697 1.00 0.00 O ATOM 0 H GLU A 71 6.869 -11.055 4.022 1.00 0.00 H new ATOM 0 HA GLU A 71 7.819 -13.554 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.835 -11.283 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.406 -10.840 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.248 -13.143 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.403 -11.518 7.773 1.00 0.00 H new ATOM 1223 N HIS A 72 5.580 -14.301 5.823 1.00 0.00 N ATOM 1224 CA HIS A 72 4.407 -14.868 6.394 1.00 0.00 C ATOM 1225 C HIS A 72 4.692 -16.336 6.535 1.00 0.00 C ATOM 1226 O HIS A 72 5.321 -16.922 5.648 1.00 0.00 O ATOM 1227 CB HIS A 72 3.198 -14.646 5.460 1.00 0.00 C ATOM 1228 CG HIS A 72 1.869 -14.991 6.070 1.00 0.00 C ATOM 1229 ND1 HIS A 72 1.201 -16.174 5.833 1.00 0.00 N ATOM 1230 CD2 HIS A 72 1.074 -14.278 6.902 1.00 0.00 C ATOM 1231 CE1 HIS A 72 0.060 -16.167 6.491 1.00 0.00 C ATOM 1232 NE2 HIS A 72 -0.038 -15.030 7.146 1.00 0.00 N ATOM 0 H HIS A 72 6.143 -14.971 5.299 1.00 0.00 H new ATOM 0 HA HIS A 72 4.164 -14.411 7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.181 -13.601 5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.336 -15.244 4.559 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.537 -16.934 5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.282 -13.295 7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.672 -16.961 6.493 1.00 0.00 H new ATOM 1241 N HIS A 73 4.295 -16.921 7.628 1.00 0.00 N ATOM 1242 CA HIS A 73 4.532 -18.329 7.859 1.00 0.00 C ATOM 1243 C HIS A 73 3.620 -19.195 7.010 1.00 0.00 C ATOM 1244 O HIS A 73 2.510 -19.547 7.426 1.00 0.00 O ATOM 1245 CB HIS A 73 4.431 -18.703 9.344 1.00 0.00 C ATOM 1246 CG HIS A 73 5.542 -18.151 10.187 1.00 0.00 C ATOM 1247 ND1 HIS A 73 5.333 -17.355 11.282 1.00 0.00 N ATOM 1248 CD2 HIS A 73 6.881 -18.304 10.092 1.00 0.00 C ATOM 1249 CE1 HIS A 73 6.488 -17.039 11.822 1.00 0.00 C ATOM 1250 NE2 HIS A 73 7.441 -17.603 11.120 1.00 0.00 N ATOM 0 H HIS A 73 3.801 -16.446 8.383 1.00 0.00 H new ATOM 0 HA HIS A 73 5.559 -18.526 7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.479 -18.344 9.735 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.424 -19.789 9.435 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.409 -18.875 9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.629 -16.420 12.696 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.440 -17.530 11.312 1.00 0.00 H new ATOM 1259 N HIS A 74 4.084 -19.482 5.801 1.00 0.00 N ATOM 1260 CA HIS A 74 3.399 -20.323 4.815 1.00 0.00 C ATOM 1261 C HIS A 74 2.155 -19.661 4.243 1.00 0.00 C ATOM 1262 O HIS A 74 1.861 -18.494 4.552 1.00 0.00 O ATOM 1263 CB HIS A 74 3.133 -21.749 5.335 1.00 0.00 C ATOM 1264 CG HIS A 74 4.378 -22.577 5.429 1.00 0.00 C ATOM 1265 ND1 HIS A 74 4.615 -23.668 4.636 1.00 0.00 N ATOM 1266 CD2 HIS A 74 5.465 -22.459 6.223 1.00 0.00 C ATOM 1267 CE1 HIS A 74 5.782 -24.183 4.930 1.00 0.00 C ATOM 1268 NE2 HIS A 74 6.320 -23.469 5.887 1.00 0.00 N ATOM 0 H HIS A 74 4.978 -19.126 5.463 1.00 0.00 H new ATOM 0 HA HIS A 74 4.089 -20.433 3.979 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.666 -21.691 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.422 -22.245 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.627 -21.707 6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.226 -25.050 4.463 1.00 0.00 H new ATOM 0 HE2 HIS A 74 7.231 -23.640 6.313 1.00 0.00 H new ATOM 1277 N HIS A 75 1.447 -20.384 3.393 1.00 0.00 N ATOM 1278 CA HIS A 75 0.292 -19.851 2.686 1.00 0.00 C ATOM 1279 C HIS A 75 -0.846 -19.474 3.638 1.00 0.00 C ATOM 1280 O HIS A 75 -1.399 -18.390 3.525 1.00 0.00 O ATOM 1281 CB HIS A 75 -0.173 -20.831 1.605 1.00 0.00 C ATOM 1282 CG HIS A 75 -1.249 -20.314 0.688 1.00 0.00 C ATOM 1283 ND1 HIS A 75 -2.443 -20.962 0.478 1.00 0.00 N ATOM 1284 CD2 HIS A 75 -1.274 -19.230 -0.116 1.00 0.00 C ATOM 1285 CE1 HIS A 75 -3.150 -20.299 -0.412 1.00 0.00 C ATOM 1286 NE2 HIS A 75 -2.465 -19.245 -0.788 1.00 0.00 N ATOM 0 H HIS A 75 1.655 -21.358 3.172 1.00 0.00 H new ATOM 0 HA HIS A 75 0.600 -18.927 2.197 1.00 0.00 H new ATOM 0 HB2 HIS A 75 0.689 -21.117 1.002 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.537 -21.736 2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -0.496 -18.487 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.130 -20.576 -0.772 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.771 -18.551 -1.470 1.00 0.00 H new ATOM 1295 N HIS A 76 -1.193 -20.343 4.569 1.00 0.00 N ATOM 1296 CA HIS A 76 -2.238 -19.997 5.524 1.00 0.00 C ATOM 1297 C HIS A 76 -1.947 -20.476 6.931 1.00 0.00 C ATOM 1298 O HIS A 76 -1.668 -21.649 7.154 1.00 0.00 O ATOM 1299 CB HIS A 76 -3.690 -20.358 5.055 1.00 0.00 C ATOM 1300 CG HIS A 76 -3.999 -21.808 4.725 1.00 0.00 C ATOM 1301 ND1 HIS A 76 -4.969 -22.163 3.812 1.00 0.00 N ATOM 1302 CD2 HIS A 76 -3.527 -22.979 5.225 1.00 0.00 C ATOM 1303 CE1 HIS A 76 -5.076 -23.474 3.768 1.00 0.00 C ATOM 1304 NE2 HIS A 76 -4.213 -23.992 4.615 1.00 0.00 N ATOM 0 H HIS A 76 -0.782 -21.269 4.687 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.215 -18.908 5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.381 -20.040 5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.912 -19.761 4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.752 -23.090 5.969 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.758 -24.031 3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.078 -24.988 4.788 1.00 0.00 H new ATOM 1313 N HIS A 77 -1.973 -19.537 7.853 1.00 0.00 N ATOM 1314 CA HIS A 77 -1.809 -19.758 9.289 1.00 0.00 C ATOM 1315 C HIS A 77 -2.361 -18.557 9.989 1.00 0.00 C ATOM 1316 O HIS A 77 -1.593 -17.757 10.531 1.00 0.00 O ATOM 1317 CB HIS A 77 -0.341 -19.960 9.727 1.00 0.00 C ATOM 1318 CG HIS A 77 0.213 -21.321 9.496 1.00 0.00 C ATOM 1319 ND1 HIS A 77 1.364 -21.548 8.800 1.00 0.00 N ATOM 1320 CD2 HIS A 77 -0.199 -22.529 9.935 1.00 0.00 C ATOM 1321 CE1 HIS A 77 1.642 -22.826 8.819 1.00 0.00 C ATOM 1322 NE2 HIS A 77 0.709 -23.447 9.500 1.00 0.00 N ATOM 1323 OXT HIS A 77 -3.565 -18.325 9.883 1.00 0.00 O ATOM 0 H HIS A 77 -2.115 -18.554 7.620 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.333 -20.678 9.547 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.281 -19.238 9.197 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -0.262 -19.730 10.789 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.922 -20.831 8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.083 -22.730 10.522 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.497 -23.292 8.352 1.00 0.00 H new TER 1332 HIS A 77