USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=22 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 179:sc= 1.03 USER MOD Set 1.2: A 43 ASN : amide:sc= 1.23 K(o=2.3,f=-0.0095) USER MOD Set 2.1: A 37 THR OG1 : rot 160:sc= 0.357 USER MOD Set 2.2: A 39 HIS :FLIP no HE2:sc= 0.372 F(o=-2.5,f=0.73) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 148:sc= 2.03 (180deg=1.1) USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 1.03 USER MOD Set 4.1: A 9 TYR OH : rot 180:sc=-0.000642 USER MOD Set 4.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.43 (180deg=0.971) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -0.0207 (180deg=-0.171) USER MOD Single : A 4 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 1.18 (180deg=1.13) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 13 ASN : amide:sc= 0.599 K(o=0.6,f=-0.0014) USER MOD Single : A 14 ASN : amide:sc= -0.437 K(o=-0.44,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -137:sc= 1.26 USER MOD Single : A 25 SER OG : rot 82:sc= 0.226 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= -0.0036 (180deg=-0.0513) USER MOD Single : A 47 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.36) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= -0.66 (180deg=-2.46!) USER MOD Single : A 53 MET CE :methyl -164:sc= -0.09 (180deg=-0.453) USER MOD Single : A 55 ASN : amide:sc= -0.057 X(o=-0.057,f=-0.047) USER MOD Single : A 61 LYS NZ :NH3+ -115:sc= -0.23 (180deg=-1.55) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0863 (180deg=-0.416) USER MOD Single : A 65 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 72 HIS : no HE2:sc= 1 K(o=1,f=-4.4!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.6!) USER MOD Single : A 75 HIS : no HD1:sc= -0.0839 X(o=-0.084,f=-0.11) USER MOD Single : A 76 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 77 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.434 16.930 1.678 1.00 0.00 N ATOM 2 CA MET A 1 0.022 16.737 0.302 1.00 0.00 C ATOM 3 C MET A 1 -1.110 16.254 -0.557 1.00 0.00 C ATOM 4 O MET A 1 -1.485 15.076 -0.506 1.00 0.00 O ATOM 5 CB MET A 1 1.225 15.773 0.222 1.00 0.00 C ATOM 6 CG MET A 1 2.523 16.324 0.817 1.00 0.00 C ATOM 7 SD MET A 1 2.409 16.678 2.586 1.00 0.00 S ATOM 8 CE MET A 1 4.046 17.356 2.901 1.00 0.00 C ATOM 0 H1 MET A 1 0.385 16.930 2.319 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.933 17.840 1.754 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.080 16.158 1.941 1.00 0.00 H new ATOM 0 HA MET A 1 0.362 17.702 -0.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.968 14.848 0.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.400 15.517 -0.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.325 15.605 0.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.797 17.237 0.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.132 17.624 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.802 16.611 2.653 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.196 18.244 2.287 1.00 0.00 H new ATOM 20 N LEU A 2 -1.684 17.176 -1.306 1.00 0.00 N ATOM 21 CA LEU A 2 -2.794 16.904 -2.187 1.00 0.00 C ATOM 22 C LEU A 2 -2.978 18.038 -3.175 1.00 0.00 C ATOM 23 O LEU A 2 -3.101 19.213 -2.783 1.00 0.00 O ATOM 24 CB LEU A 2 -4.104 16.692 -1.392 1.00 0.00 C ATOM 25 CG LEU A 2 -5.410 16.595 -2.217 1.00 0.00 C ATOM 26 CD1 LEU A 2 -5.375 15.442 -3.210 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.608 16.469 -1.294 1.00 0.00 C ATOM 0 H LEU A 2 -1.384 18.151 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.566 15.986 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.003 15.778 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.209 17.514 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.501 17.515 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.312 15.413 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.546 15.584 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.243 14.503 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.519 16.402 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.505 15.571 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.661 17.344 -0.646 1.00 0.00 H new ATOM 39 N LYS A 3 -2.944 17.687 -4.433 1.00 0.00 N ATOM 40 CA LYS A 3 -3.289 18.583 -5.519 1.00 0.00 C ATOM 41 C LYS A 3 -3.732 17.759 -6.729 1.00 0.00 C ATOM 42 O LYS A 3 -4.704 18.089 -7.398 1.00 0.00 O ATOM 43 CB LYS A 3 -2.193 19.678 -5.817 1.00 0.00 C ATOM 44 CG LYS A 3 -0.801 19.203 -6.246 1.00 0.00 C ATOM 45 CD LYS A 3 -0.738 18.833 -7.723 1.00 0.00 C ATOM 46 CE LYS A 3 0.618 18.268 -8.110 1.00 0.00 C ATOM 47 NZ LYS A 3 1.731 19.184 -7.789 1.00 0.00 N ATOM 0 H LYS A 3 -2.672 16.754 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.138 19.194 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.578 20.332 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.077 20.287 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.074 19.988 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.515 18.339 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.513 18.100 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.949 19.715 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.773 17.320 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.626 18.054 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.608 18.830 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.519 20.132 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.851 19.236 -6.757 1.00 0.00 H new ATOM 61 N HIS A 4 -3.043 16.649 -6.962 1.00 0.00 N ATOM 62 CA HIS A 4 -3.457 15.693 -7.987 1.00 0.00 C ATOM 63 C HIS A 4 -3.436 14.303 -7.367 1.00 0.00 C ATOM 64 O HIS A 4 -4.327 13.479 -7.587 1.00 0.00 O ATOM 65 CB HIS A 4 -2.531 15.742 -9.222 1.00 0.00 C ATOM 66 CG HIS A 4 -3.062 14.978 -10.414 1.00 0.00 C ATOM 67 ND1 HIS A 4 -2.474 13.842 -10.929 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.130 15.221 -11.200 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.167 13.426 -11.980 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.177 14.249 -12.157 1.00 0.00 N ATOM 0 H HIS A 4 -2.196 16.387 -6.457 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.459 15.947 -8.332 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.377 16.782 -9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.556 15.339 -8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.826 16.040 -11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.941 12.561 -12.586 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.882 14.173 -12.891 1.00 0.00 H new ATOM 79 N GLY A 5 -2.418 14.063 -6.590 1.00 0.00 N ATOM 80 CA GLY A 5 -2.289 12.838 -5.880 1.00 0.00 C ATOM 81 C GLY A 5 -1.923 13.100 -4.442 1.00 0.00 C ATOM 82 O GLY A 5 -1.625 14.245 -4.072 1.00 0.00 O ATOM 0 H GLY A 5 -1.654 14.721 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.225 12.282 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.525 12.217 -6.349 1.00 0.00 H new ATOM 86 N LYS A 6 -1.952 12.080 -3.644 1.00 0.00 N ATOM 87 CA LYS A 6 -1.615 12.176 -2.242 1.00 0.00 C ATOM 88 C LYS A 6 -0.501 11.212 -1.934 1.00 0.00 C ATOM 89 O LYS A 6 -0.262 10.287 -2.692 1.00 0.00 O ATOM 90 CB LYS A 6 -2.814 11.792 -1.359 1.00 0.00 C ATOM 91 CG LYS A 6 -4.039 12.679 -1.491 1.00 0.00 C ATOM 92 CD LYS A 6 -5.148 12.256 -0.522 1.00 0.00 C ATOM 93 CE LYS A 6 -5.759 10.899 -0.881 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.530 10.952 -2.147 1.00 0.00 N ATOM 0 H LYS A 6 -2.213 11.140 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.322 13.205 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.103 10.768 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.492 11.800 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.761 13.715 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.412 12.635 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.744 12.212 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.932 13.014 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.966 10.157 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.412 10.571 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.166 10.131 -2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.092 11.827 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.874 10.936 -2.954 1.00 0.00 H new ATOM 108 N TYR A 7 0.175 11.438 -0.857 1.00 0.00 N ATOM 109 CA TYR A 7 1.135 10.491 -0.345 1.00 0.00 C ATOM 110 C TYR A 7 0.647 10.057 0.995 1.00 0.00 C ATOM 111 O TYR A 7 0.553 10.872 1.914 1.00 0.00 O ATOM 112 CB TYR A 7 2.544 11.082 -0.221 1.00 0.00 C ATOM 113 CG TYR A 7 3.297 11.217 -1.523 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.100 10.175 -1.982 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.230 12.378 -2.279 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.812 10.286 -3.163 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.939 12.502 -3.457 1.00 0.00 C ATOM 118 CZ TYR A 7 4.727 11.455 -3.896 1.00 0.00 C ATOM 119 OH TYR A 7 5.439 11.588 -5.065 1.00 0.00 O ATOM 0 H TYR A 7 0.084 12.286 -0.298 1.00 0.00 H new ATOM 0 HA TYR A 7 1.217 9.656 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.469 12.066 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.126 10.455 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.168 9.264 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.614 13.198 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.427 9.468 -3.508 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.878 13.413 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 7 5.265 12.470 -5.455 1.00 0.00 H new ATOM 129 N VAL A 8 0.301 8.815 1.109 1.00 0.00 N ATOM 130 CA VAL A 8 -0.243 8.312 2.352 1.00 0.00 C ATOM 131 C VAL A 8 0.561 7.124 2.827 1.00 0.00 C ATOM 132 O VAL A 8 1.526 6.711 2.168 1.00 0.00 O ATOM 133 CB VAL A 8 -1.755 7.919 2.239 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.603 9.088 1.755 1.00 0.00 C ATOM 135 CG2 VAL A 8 -1.957 6.702 1.353 1.00 0.00 C ATOM 0 H VAL A 8 0.381 8.123 0.364 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.176 9.123 3.077 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.089 7.656 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.646 8.778 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.515 9.917 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.256 9.407 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.019 6.462 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.583 6.915 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.414 5.854 1.770 1.00 0.00 H new ATOM 145 N TYR A 9 0.180 6.589 3.952 1.00 0.00 N ATOM 146 CA TYR A 9 0.833 5.455 4.517 1.00 0.00 C ATOM 147 C TYR A 9 -0.168 4.349 4.697 1.00 0.00 C ATOM 148 O TYR A 9 -1.275 4.578 5.173 1.00 0.00 O ATOM 149 CB TYR A 9 1.473 5.805 5.862 1.00 0.00 C ATOM 150 CG TYR A 9 2.646 6.750 5.772 1.00 0.00 C ATOM 151 CD1 TYR A 9 3.931 6.258 5.615 1.00 0.00 C ATOM 152 CD2 TYR A 9 2.472 8.131 5.855 1.00 0.00 C ATOM 153 CE1 TYR A 9 5.016 7.100 5.541 1.00 0.00 C ATOM 154 CE2 TYR A 9 3.556 8.987 5.778 1.00 0.00 C ATOM 155 CZ TYR A 9 4.823 8.467 5.621 1.00 0.00 C ATOM 156 OH TYR A 9 5.912 9.315 5.554 1.00 0.00 O ATOM 0 H TYR A 9 -0.603 6.937 4.505 1.00 0.00 H new ATOM 0 HA TYR A 9 1.625 5.132 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.714 6.249 6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.801 4.884 6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.084 5.191 5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.479 8.537 5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.011 6.697 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.411 10.055 5.840 1.00 0.00 H new ATOM 0 HH TYR A 9 5.608 10.244 5.624 1.00 0.00 H new ATOM 166 N ILE A 10 0.181 3.178 4.286 1.00 0.00 N ATOM 167 CA ILE A 10 -0.698 2.053 4.470 1.00 0.00 C ATOM 168 C ILE A 10 -0.397 1.426 5.815 1.00 0.00 C ATOM 169 O ILE A 10 0.782 1.175 6.145 1.00 0.00 O ATOM 170 CB ILE A 10 -0.554 1.000 3.331 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.789 1.647 1.953 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.495 -0.188 3.534 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.131 2.337 1.802 1.00 0.00 C ATOM 0 H ILE A 10 1.064 2.966 3.821 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.729 2.406 4.437 1.00 0.00 H new ATOM 0 HB ILE A 10 0.467 0.621 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.002 2.374 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.702 0.878 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.364 -0.899 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.266 -0.676 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.527 0.163 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.210 2.764 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.932 1.613 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.217 3.131 2.543 1.00 0.00 H new ATOM 185 N ASP A 11 -1.438 1.196 6.595 1.00 0.00 N ATOM 186 CA ASP A 11 -1.307 0.632 7.923 1.00 0.00 C ATOM 187 C ASP A 11 -0.967 -0.830 7.851 1.00 0.00 C ATOM 188 O ASP A 11 -1.835 -1.700 7.764 1.00 0.00 O ATOM 189 CB ASP A 11 -2.556 0.883 8.804 1.00 0.00 C ATOM 190 CG ASP A 11 -2.479 0.228 10.187 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.715 0.711 11.055 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.200 -0.761 10.437 1.00 0.00 O ATOM 0 H ASP A 11 -2.400 1.396 6.323 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.482 1.151 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.692 1.957 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.437 0.509 8.283 1.00 0.00 H new ATOM 197 N LEU A 12 0.314 -1.079 7.753 1.00 0.00 N ATOM 198 CA LEU A 12 0.847 -2.416 7.775 1.00 0.00 C ATOM 199 C LEU A 12 0.809 -2.886 9.201 1.00 0.00 C ATOM 200 O LEU A 12 0.701 -4.079 9.477 1.00 0.00 O ATOM 201 CB LEU A 12 2.270 -2.406 7.249 1.00 0.00 C ATOM 202 CG LEU A 12 2.446 -1.819 5.851 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.909 -1.768 5.474 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.649 -2.616 4.825 1.00 0.00 C ATOM 0 H LEU A 12 1.023 -0.352 7.655 1.00 0.00 H new ATOM 0 HA LEU A 12 0.264 -3.086 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.892 -1.841 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.645 -3.429 7.245 1.00 0.00 H new ATOM 0 HG LEU A 12 2.061 -0.799 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.013 -1.347 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.447 -1.145 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.324 -2.776 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.790 -2.179 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.996 -3.649 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.591 -2.590 5.086 1.00 0.00 H new ATOM 216 N ASN A 13 0.995 -1.908 10.098 1.00 0.00 N ATOM 217 CA ASN A 13 0.777 -2.020 11.556 1.00 0.00 C ATOM 218 C ASN A 13 1.796 -2.917 12.272 1.00 0.00 C ATOM 219 O ASN A 13 1.893 -2.908 13.485 1.00 0.00 O ATOM 220 CB ASN A 13 -0.658 -2.501 11.823 1.00 0.00 C ATOM 221 CG ASN A 13 -1.138 -2.235 13.230 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.972 -3.058 14.137 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.758 -1.101 13.416 1.00 0.00 N ATOM 0 H ASN A 13 1.314 -0.979 9.822 1.00 0.00 H new ATOM 0 HA ASN A 13 0.925 -1.025 11.975 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.332 -2.011 11.120 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.715 -3.572 11.626 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.127 -0.867 14.338 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.873 -0.450 12.640 1.00 0.00 H new ATOM 230 N ASN A 14 2.597 -3.630 11.520 1.00 0.00 N ATOM 231 CA ASN A 14 3.570 -4.573 12.088 1.00 0.00 C ATOM 232 C ASN A 14 4.907 -3.896 12.417 1.00 0.00 C ATOM 233 O ASN A 14 5.923 -4.565 12.609 1.00 0.00 O ATOM 234 CB ASN A 14 3.782 -5.794 11.156 1.00 0.00 C ATOM 235 CG ASN A 14 4.356 -5.450 9.786 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.567 -5.411 9.596 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.492 -5.223 8.821 1.00 0.00 N ATOM 0 H ASN A 14 2.605 -3.585 10.501 1.00 0.00 H new ATOM 0 HA ASN A 14 3.150 -4.932 13.027 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.450 -6.500 11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.827 -6.301 11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.823 -5.007 7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.491 -5.263 9.013 1.00 0.00 H new ATOM 244 N GLY A 15 4.883 -2.585 12.544 1.00 0.00 N ATOM 245 CA GLY A 15 6.084 -1.848 12.897 1.00 0.00 C ATOM 246 C GLY A 15 6.727 -1.162 11.718 1.00 0.00 C ATOM 247 O GLY A 15 7.864 -0.715 11.798 1.00 0.00 O ATOM 0 H GLY A 15 4.052 -2.009 12.410 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.836 -1.102 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.803 -2.532 13.348 1.00 0.00 H new ATOM 251 N LYS A 16 6.009 -1.089 10.628 1.00 0.00 N ATOM 252 CA LYS A 16 6.483 -0.422 9.442 1.00 0.00 C ATOM 253 C LYS A 16 5.278 0.066 8.671 1.00 0.00 C ATOM 254 O LYS A 16 4.169 -0.469 8.857 1.00 0.00 O ATOM 255 CB LYS A 16 7.339 -1.372 8.582 1.00 0.00 C ATOM 256 CG LYS A 16 6.576 -2.546 7.983 1.00 0.00 C ATOM 257 CD LYS A 16 7.482 -3.475 7.195 1.00 0.00 C ATOM 258 CE LYS A 16 8.419 -4.265 8.113 1.00 0.00 C ATOM 259 NZ LYS A 16 9.251 -5.229 7.361 1.00 0.00 N ATOM 0 H LYS A 16 5.076 -1.491 10.537 1.00 0.00 H new ATOM 0 HA LYS A 16 7.119 0.420 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.792 -0.799 7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.154 -1.759 9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.089 -3.106 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.788 -2.170 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.875 -4.167 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.072 -2.894 6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.065 -3.573 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.830 -4.799 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.870 -5.742 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.636 -5.906 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.833 -4.718 6.667 1.00 0.00 H new ATOM 273 N TYR A 17 5.466 1.068 7.856 1.00 0.00 N ATOM 274 CA TYR A 17 4.400 1.648 7.056 1.00 0.00 C ATOM 275 C TYR A 17 4.911 1.909 5.675 1.00 0.00 C ATOM 276 O TYR A 17 6.026 2.356 5.513 1.00 0.00 O ATOM 277 CB TYR A 17 3.859 2.955 7.684 1.00 0.00 C ATOM 278 CG TYR A 17 2.925 2.748 8.861 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.396 2.339 10.098 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.562 2.935 8.717 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.539 2.124 11.152 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.701 2.716 9.766 1.00 0.00 C ATOM 283 CZ TYR A 17 1.196 2.311 10.980 1.00 0.00 C ATOM 284 OH TYR A 17 0.339 2.072 12.022 1.00 0.00 O ATOM 0 H TYR A 17 6.372 1.517 7.721 1.00 0.00 H new ATOM 0 HA TYR A 17 3.572 0.940 7.019 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.703 3.563 8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.334 3.522 6.915 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.456 2.186 10.237 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.168 3.258 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.925 1.809 12.110 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.361 2.862 9.635 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.452 1.596 11.693 1.00 0.00 H new ATOM 294 N VAL A 18 4.117 1.635 4.693 1.00 0.00 N ATOM 295 CA VAL A 18 4.531 1.840 3.327 1.00 0.00 C ATOM 296 C VAL A 18 3.944 3.137 2.824 1.00 0.00 C ATOM 297 O VAL A 18 2.754 3.418 3.040 1.00 0.00 O ATOM 298 CB VAL A 18 4.148 0.625 2.400 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.678 0.289 2.489 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.529 0.885 0.954 1.00 0.00 C ATOM 0 H VAL A 18 3.172 1.267 4.803 1.00 0.00 H new ATOM 0 HA VAL A 18 5.619 1.904 3.296 1.00 0.00 H new ATOM 0 HB VAL A 18 4.717 -0.231 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.457 -0.554 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.426 0.026 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.088 1.152 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.250 0.026 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.006 1.771 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.605 1.045 0.884 1.00 0.00 H new ATOM 310 N LYS A 19 4.779 3.940 2.211 1.00 0.00 N ATOM 311 CA LYS A 19 4.363 5.220 1.730 1.00 0.00 C ATOM 312 C LYS A 19 4.032 5.097 0.268 1.00 0.00 C ATOM 313 O LYS A 19 4.891 4.769 -0.558 1.00 0.00 O ATOM 314 CB LYS A 19 5.452 6.265 1.975 1.00 0.00 C ATOM 315 CG LYS A 19 5.016 7.696 1.706 1.00 0.00 C ATOM 316 CD LYS A 19 6.090 8.673 2.138 1.00 0.00 C ATOM 317 CE LYS A 19 5.627 10.109 1.999 1.00 0.00 C ATOM 318 NZ LYS A 19 6.641 11.054 2.499 1.00 0.00 N ATOM 0 H LYS A 19 5.759 3.720 2.036 1.00 0.00 H new ATOM 0 HA LYS A 19 3.476 5.553 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.787 6.188 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.310 6.034 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.807 7.824 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.090 7.906 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.365 8.478 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.986 8.519 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.413 10.324 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.696 10.247 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.292 12.028 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.827 10.864 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.521 10.938 1.957 1.00 0.00 H new ATOM 332 N VAL A 20 2.808 5.345 -0.044 1.00 0.00 N ATOM 333 CA VAL A 20 2.311 5.150 -1.361 1.00 0.00 C ATOM 334 C VAL A 20 1.684 6.439 -1.889 1.00 0.00 C ATOM 335 O VAL A 20 1.077 7.219 -1.135 1.00 0.00 O ATOM 336 CB VAL A 20 1.292 3.960 -1.382 1.00 0.00 C ATOM 337 CG1 VAL A 20 0.136 4.206 -0.439 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.788 3.649 -2.787 1.00 0.00 C ATOM 0 H VAL A 20 2.114 5.694 0.617 1.00 0.00 H new ATOM 0 HA VAL A 20 3.139 4.892 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 20 1.836 3.082 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.552 3.361 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.513 4.320 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.388 5.115 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.085 2.817 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.288 4.527 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.630 3.381 -3.425 1.00 0.00 H new ATOM 348 N ARG A 21 1.876 6.674 -3.156 1.00 0.00 N ATOM 349 CA ARG A 21 1.325 7.815 -3.828 1.00 0.00 C ATOM 350 C ARG A 21 -0.011 7.403 -4.424 1.00 0.00 C ATOM 351 O ARG A 21 -0.088 6.464 -5.229 1.00 0.00 O ATOM 352 CB ARG A 21 2.291 8.285 -4.925 1.00 0.00 C ATOM 353 CG ARG A 21 1.886 9.549 -5.682 1.00 0.00 C ATOM 354 CD ARG A 21 2.945 9.875 -6.729 1.00 0.00 C ATOM 355 NE ARG A 21 2.707 11.133 -7.459 1.00 0.00 N ATOM 356 CZ ARG A 21 3.577 11.651 -8.352 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.689 10.989 -8.655 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.331 12.817 -8.939 1.00 0.00 N ATOM 0 H ARG A 21 2.430 6.067 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 21 1.179 8.642 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.268 8.455 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.410 7.477 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.918 9.404 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.777 10.382 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.918 9.930 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.995 9.056 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 21 1.839 11.639 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.884 10.091 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.347 11.379 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.478 13.330 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.995 13.199 -9.612 1.00 0.00 H new ATOM 372 N ILE A 22 -1.038 8.064 -4.002 1.00 0.00 N ATOM 373 CA ILE A 22 -2.376 7.774 -4.431 1.00 0.00 C ATOM 374 C ILE A 22 -2.773 8.805 -5.454 1.00 0.00 C ATOM 375 O ILE A 22 -2.934 9.975 -5.115 1.00 0.00 O ATOM 376 CB ILE A 22 -3.380 7.885 -3.261 1.00 0.00 C ATOM 377 CG1 ILE A 22 -2.880 7.162 -2.006 1.00 0.00 C ATOM 378 CG2 ILE A 22 -4.724 7.329 -3.685 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.681 5.680 -2.171 1.00 0.00 C ATOM 0 H ILE A 22 -0.975 8.835 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.397 6.760 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.483 8.940 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.935 7.610 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.592 7.331 -1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.429 7.409 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.100 7.895 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.612 6.282 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.326 5.254 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.627 5.214 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.945 5.497 -2.954 1.00 0.00 H new ATOM 391 N LEU A 23 -2.905 8.404 -6.670 1.00 0.00 N ATOM 392 CA LEU A 23 -3.282 9.311 -7.723 1.00 0.00 C ATOM 393 C LEU A 23 -4.791 9.371 -7.780 1.00 0.00 C ATOM 394 O LEU A 23 -5.434 8.396 -8.165 1.00 0.00 O ATOM 395 CB LEU A 23 -2.744 8.805 -9.065 1.00 0.00 C ATOM 396 CG LEU A 23 -1.236 8.553 -9.147 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.876 7.965 -10.498 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.461 9.837 -8.900 1.00 0.00 C ATOM 0 H LEU A 23 -2.757 7.441 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.868 10.300 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.259 7.876 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.011 9.530 -9.834 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.963 7.838 -8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.199 7.790 -10.544 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.403 7.021 -10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.165 8.660 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.608 9.634 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.735 10.578 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.700 10.221 -7.908 1.00 0.00 H new ATOM 410 N LYS A 24 -5.372 10.484 -7.402 1.00 0.00 N ATOM 411 CA LYS A 24 -6.800 10.563 -7.415 1.00 0.00 C ATOM 412 C LYS A 24 -7.241 11.173 -8.711 1.00 0.00 C ATOM 413 O LYS A 24 -7.087 12.381 -8.949 1.00 0.00 O ATOM 414 CB LYS A 24 -7.338 11.337 -6.196 1.00 0.00 C ATOM 415 CG LYS A 24 -8.866 11.286 -6.021 1.00 0.00 C ATOM 416 CD LYS A 24 -9.261 11.873 -4.674 1.00 0.00 C ATOM 417 CE LYS A 24 -10.754 11.726 -4.347 1.00 0.00 C ATOM 418 NZ LYS A 24 -11.203 10.309 -4.238 1.00 0.00 N ATOM 0 H LYS A 24 -4.887 11.325 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.217 9.559 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.870 10.939 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.031 12.379 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.350 11.842 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.213 10.255 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.678 11.387 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.998 12.931 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.964 12.238 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.338 12.225 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.969 10.241 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.548 9.982 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.405 9.714 -3.936 1.00 0.00 H new ATOM 432 N SER A 25 -7.776 10.343 -9.554 1.00 0.00 N ATOM 433 CA SER A 25 -8.211 10.757 -10.838 1.00 0.00 C ATOM 434 C SER A 25 -9.566 11.445 -10.736 1.00 0.00 C ATOM 435 O SER A 25 -10.612 10.823 -10.904 1.00 0.00 O ATOM 436 CB SER A 25 -8.260 9.560 -11.789 1.00 0.00 C ATOM 437 OG SER A 25 -7.034 8.830 -11.738 1.00 0.00 O ATOM 0 H SER A 25 -7.921 9.352 -9.361 1.00 0.00 H new ATOM 0 HA SER A 25 -7.500 11.477 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.090 8.907 -11.519 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.443 9.904 -12.807 1.00 0.00 H new ATOM 0 HG SER A 25 -7.045 8.225 -10.967 1.00 0.00 H new ATOM 443 N ARG A 26 -9.520 12.708 -10.369 1.00 0.00 N ATOM 444 CA ARG A 26 -10.702 13.582 -10.295 1.00 0.00 C ATOM 445 C ARG A 26 -11.012 13.959 -11.729 1.00 0.00 C ATOM 446 O ARG A 26 -12.131 14.285 -12.101 1.00 0.00 O ATOM 447 CB ARG A 26 -10.335 14.848 -9.538 1.00 0.00 C ATOM 448 CG ARG A 26 -9.539 14.607 -8.263 1.00 0.00 C ATOM 449 CD ARG A 26 -8.456 15.658 -8.151 1.00 0.00 C ATOM 450 NE ARG A 26 -7.669 15.694 -9.397 1.00 0.00 N ATOM 451 CZ ARG A 26 -7.295 16.804 -10.033 1.00 0.00 C ATOM 452 NH1 ARG A 26 -7.355 17.981 -9.423 1.00 0.00 N ATOM 453 NH2 ARG A 26 -6.870 16.725 -11.279 1.00 0.00 N ATOM 0 H ARG A 26 -8.653 13.177 -10.107 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.540 13.095 -9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.757 15.496 -10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.250 15.384 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.197 14.650 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.097 13.611 -8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.902 16.635 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.806 15.436 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.389 14.801 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.689 18.040 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.067 18.826 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.830 15.820 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.582 17.569 -11.774 1.00 0.00 H new ATOM 467 N ASP A 27 -9.936 13.903 -12.503 1.00 0.00 N ATOM 468 CA ASP A 27 -9.861 14.090 -13.939 1.00 0.00 C ATOM 469 C ASP A 27 -10.881 13.156 -14.591 1.00 0.00 C ATOM 470 O ASP A 27 -11.567 13.507 -15.553 1.00 0.00 O ATOM 471 CB ASP A 27 -8.432 13.659 -14.390 1.00 0.00 C ATOM 472 CG ASP A 27 -7.274 14.270 -13.561 1.00 0.00 C ATOM 473 OD1 ASP A 27 -7.307 14.205 -12.296 1.00 0.00 O ATOM 474 OD2 ASP A 27 -6.284 14.752 -14.144 1.00 0.00 O ATOM 0 H ASP A 27 -9.017 13.709 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.062 15.124 -14.218 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.363 12.572 -14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.297 13.937 -15.435 1.00 0.00 H new ATOM 479 N ASP A 28 -10.955 11.963 -14.032 1.00 0.00 N ATOM 480 CA ASP A 28 -11.908 10.932 -14.425 1.00 0.00 C ATOM 481 C ASP A 28 -13.235 11.200 -13.735 1.00 0.00 C ATOM 482 O ASP A 28 -14.270 11.399 -14.384 1.00 0.00 O ATOM 483 CB ASP A 28 -11.377 9.562 -13.976 1.00 0.00 C ATOM 484 CG ASP A 28 -12.380 8.436 -14.141 1.00 0.00 C ATOM 485 OD1 ASP A 28 -13.212 8.225 -13.236 1.00 0.00 O ATOM 486 OD2 ASP A 28 -12.319 7.724 -15.150 1.00 0.00 O ATOM 0 H ASP A 28 -10.340 11.673 -13.272 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.042 10.941 -15.507 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.480 9.325 -14.548 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.081 9.622 -12.929 1.00 0.00 H new ATOM 491 N ASN A 29 -13.154 11.208 -12.416 1.00 0.00 N ATOM 492 CA ASN A 29 -14.245 11.449 -11.474 1.00 0.00 C ATOM 493 C ASN A 29 -13.675 11.205 -10.105 1.00 0.00 C ATOM 494 O ASN A 29 -13.446 12.144 -9.338 1.00 0.00 O ATOM 495 CB ASN A 29 -15.452 10.514 -11.713 1.00 0.00 C ATOM 496 CG ASN A 29 -16.531 10.611 -10.635 1.00 0.00 C ATOM 497 OD1 ASN A 29 -16.747 11.657 -10.021 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.212 9.525 -10.403 1.00 0.00 N ATOM 0 H ASN A 29 -12.269 11.036 -11.939 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.621 12.465 -11.596 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.896 10.749 -12.680 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.097 9.485 -11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.948 9.525 -9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.010 8.674 -10.928 1.00 0.00 H new ATOM 505 N SER A 30 -13.374 9.952 -9.825 1.00 0.00 N ATOM 506 CA SER A 30 -12.736 9.586 -8.603 1.00 0.00 C ATOM 507 C SER A 30 -12.209 8.161 -8.681 1.00 0.00 C ATOM 508 O SER A 30 -12.842 7.219 -8.219 1.00 0.00 O ATOM 509 CB SER A 30 -13.655 9.778 -7.381 1.00 0.00 C ATOM 510 OG SER A 30 -12.955 9.529 -6.172 1.00 0.00 O ATOM 0 H SER A 30 -13.570 9.168 -10.447 1.00 0.00 H new ATOM 0 HA SER A 30 -11.890 10.260 -8.463 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.049 10.794 -7.374 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.510 9.105 -7.455 1.00 0.00 H new ATOM 0 HG SER A 30 -13.559 9.659 -5.411 1.00 0.00 H new ATOM 516 N VAL A 31 -11.104 7.999 -9.361 1.00 0.00 N ATOM 517 CA VAL A 31 -10.418 6.723 -9.399 1.00 0.00 C ATOM 518 C VAL A 31 -9.084 6.910 -8.744 1.00 0.00 C ATOM 519 O VAL A 31 -8.217 7.614 -9.284 1.00 0.00 O ATOM 520 CB VAL A 31 -10.183 6.172 -10.843 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.451 4.832 -10.799 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.486 6.011 -11.587 1.00 0.00 C ATOM 0 H VAL A 31 -10.653 8.737 -9.901 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.049 5.997 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.567 6.899 -11.372 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.298 4.467 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.485 4.961 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.047 4.110 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.289 5.626 -12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.128 5.313 -11.050 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.984 6.978 -11.662 1.00 0.00 H new ATOM 532 N GLU A 32 -8.924 6.374 -7.580 1.00 0.00 N ATOM 533 CA GLU A 32 -7.667 6.464 -6.921 1.00 0.00 C ATOM 534 C GLU A 32 -6.773 5.323 -7.326 1.00 0.00 C ATOM 535 O GLU A 32 -7.024 4.153 -7.003 1.00 0.00 O ATOM 536 CB GLU A 32 -7.817 6.644 -5.413 1.00 0.00 C ATOM 537 CG GLU A 32 -8.435 7.995 -5.094 1.00 0.00 C ATOM 538 CD GLU A 32 -8.491 8.358 -3.637 1.00 0.00 C ATOM 539 OE1 GLU A 32 -7.450 8.660 -3.047 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.595 8.464 -3.083 1.00 0.00 O ATOM 0 H GLU A 32 -9.648 5.870 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.165 7.373 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.441 5.848 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.842 6.562 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.871 8.765 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.449 8.014 -5.493 1.00 0.00 H new ATOM 547 N LYS A 33 -5.786 5.670 -8.115 1.00 0.00 N ATOM 548 CA LYS A 33 -4.847 4.736 -8.641 1.00 0.00 C ATOM 549 C LYS A 33 -3.646 4.694 -7.747 1.00 0.00 C ATOM 550 O LYS A 33 -3.092 5.734 -7.372 1.00 0.00 O ATOM 551 CB LYS A 33 -4.439 5.103 -10.074 1.00 0.00 C ATOM 552 CG LYS A 33 -5.604 5.151 -11.053 1.00 0.00 C ATOM 553 CD LYS A 33 -5.129 5.391 -12.476 1.00 0.00 C ATOM 554 CE LYS A 33 -6.297 5.405 -13.452 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.848 5.499 -14.860 1.00 0.00 N ATOM 0 H LYS A 33 -5.618 6.632 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.312 3.751 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.946 6.075 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.707 4.378 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.158 4.213 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.293 5.943 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.596 6.340 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.422 4.612 -12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.889 4.499 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.949 6.248 -13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.676 5.505 -15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.305 6.376 -14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.247 4.682 -15.088 1.00 0.00 H new ATOM 569 N TYR A 34 -3.264 3.524 -7.390 1.00 0.00 N ATOM 570 CA TYR A 34 -2.165 3.333 -6.503 1.00 0.00 C ATOM 571 C TYR A 34 -0.898 3.175 -7.315 1.00 0.00 C ATOM 572 O TYR A 34 -0.893 2.463 -8.327 1.00 0.00 O ATOM 573 CB TYR A 34 -2.432 2.107 -5.619 1.00 0.00 C ATOM 574 CG TYR A 34 -3.766 2.200 -4.888 1.00 0.00 C ATOM 575 CD1 TYR A 34 -3.900 2.978 -3.762 1.00 0.00 C ATOM 576 CD2 TYR A 34 -4.891 1.532 -5.352 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.110 3.097 -3.107 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.107 1.646 -4.709 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.210 2.428 -3.583 1.00 0.00 C ATOM 580 OH TYR A 34 -7.419 2.542 -2.927 1.00 0.00 O ATOM 0 H TYR A 34 -3.706 2.660 -7.705 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.044 4.196 -5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.420 1.208 -6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.628 2.005 -4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.039 3.508 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.813 0.912 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.190 3.714 -2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.973 1.124 -5.088 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.096 2.007 -3.393 1.00 0.00 H new ATOM 590 N VAL A 35 0.145 3.871 -6.910 1.00 0.00 N ATOM 591 CA VAL A 35 1.426 3.815 -7.596 1.00 0.00 C ATOM 592 C VAL A 35 2.042 2.405 -7.440 1.00 0.00 C ATOM 593 O VAL A 35 1.751 1.689 -6.481 1.00 0.00 O ATOM 594 CB VAL A 35 2.400 4.919 -7.056 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.801 4.664 -5.622 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.626 5.106 -7.944 1.00 0.00 C ATOM 0 H VAL A 35 0.132 4.490 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 35 1.266 4.011 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 35 1.841 5.854 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.476 5.452 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.912 4.656 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.305 3.700 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.265 5.882 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.181 4.169 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.309 5.401 -8.944 1.00 0.00 H new ATOM 606 N LEU A 36 2.877 2.030 -8.375 1.00 0.00 N ATOM 607 CA LEU A 36 3.462 0.702 -8.429 1.00 0.00 C ATOM 608 C LEU A 36 4.622 0.514 -7.423 1.00 0.00 C ATOM 609 O LEU A 36 5.154 -0.590 -7.273 1.00 0.00 O ATOM 610 CB LEU A 36 3.919 0.407 -9.861 1.00 0.00 C ATOM 611 CG LEU A 36 4.401 -1.011 -10.159 1.00 0.00 C ATOM 612 CD1 LEU A 36 3.283 -2.026 -9.960 1.00 0.00 C ATOM 613 CD2 LEU A 36 4.938 -1.087 -11.561 1.00 0.00 C ATOM 0 H LEU A 36 3.178 2.642 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 36 2.694 -0.013 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.091 0.631 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.726 1.097 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 36 5.200 -1.255 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.656 -3.026 -10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.936 -1.987 -8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.456 -1.792 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.280 -2.102 -11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.152 -0.820 -12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.773 -0.395 -11.669 1.00 0.00 H new ATOM 625 N THR A 37 4.999 1.558 -6.725 1.00 0.00 N ATOM 626 CA THR A 37 6.123 1.458 -5.833 1.00 0.00 C ATOM 627 C THR A 37 5.622 1.031 -4.433 1.00 0.00 C ATOM 628 O THR A 37 4.485 1.315 -4.056 1.00 0.00 O ATOM 629 CB THR A 37 6.942 2.801 -5.786 1.00 0.00 C ATOM 630 OG1 THR A 37 8.275 2.556 -5.312 1.00 0.00 O ATOM 631 CG2 THR A 37 6.283 3.864 -4.892 1.00 0.00 C ATOM 0 H THR A 37 4.550 2.473 -6.757 1.00 0.00 H new ATOM 0 HA THR A 37 6.811 0.697 -6.203 1.00 0.00 H new ATOM 0 HB THR A 37 6.966 3.186 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.859 3.296 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.890 4.770 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.287 4.093 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.204 3.485 -3.873 1.00 0.00 H new ATOM 639 N SER A 38 6.457 0.333 -3.699 1.00 0.00 N ATOM 640 CA SER A 38 6.079 -0.258 -2.435 1.00 0.00 C ATOM 641 C SER A 38 7.070 0.108 -1.314 1.00 0.00 C ATOM 642 O SER A 38 7.232 -0.649 -0.362 1.00 0.00 O ATOM 643 CB SER A 38 5.979 -1.774 -2.619 1.00 0.00 C ATOM 644 OG SER A 38 5.067 -2.085 -3.675 1.00 0.00 O ATOM 0 H SER A 38 7.426 0.157 -3.964 1.00 0.00 H new ATOM 0 HA SER A 38 5.111 0.139 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.963 -2.186 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.645 -2.239 -1.691 1.00 0.00 H new ATOM 0 HG SER A 38 5.013 -3.057 -3.785 1.00 0.00 H new ATOM 650 N HIS A 39 7.735 1.262 -1.460 1.00 0.00 N ATOM 651 CA HIS A 39 8.722 1.754 -0.467 1.00 0.00 C ATOM 652 C HIS A 39 8.222 1.730 0.978 1.00 0.00 C ATOM 653 O HIS A 39 7.394 2.558 1.396 1.00 0.00 O ATOM 654 CB HIS A 39 9.249 3.154 -0.804 1.00 0.00 C ATOM 655 CG HIS A 39 10.364 3.179 -1.798 1.00 0.00 C ATOM 656 ND1 HIS A 39 10.369 3.034 -3.134 1.00 0.00 N flip ATOM 657 CD2 HIS A 39 11.669 3.402 -1.441 1.00 0.00 C flip ATOM 658 CE1 HIS A 39 11.665 3.170 -3.551 1.00 0.00 C flip ATOM 659 NE2 HIS A 39 12.425 3.395 -2.504 1.00 0.00 N flip ATOM 0 H HIS A 39 7.611 1.882 -2.260 1.00 0.00 H new ATOM 0 HA HIS A 39 9.542 1.039 -0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.425 3.755 -1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.589 3.630 0.115 1.00 0.00 H new ATOM 0 HD1 HIS A 39 9.558 2.856 -3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 39 12.018 3.560 -0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.007 3.103 -4.573 1.00 0.00 H new ATOM 668 N VAL A 40 8.727 0.771 1.718 1.00 0.00 N ATOM 669 CA VAL A 40 8.417 0.615 3.113 1.00 0.00 C ATOM 670 C VAL A 40 9.266 1.518 3.978 1.00 0.00 C ATOM 671 O VAL A 40 10.504 1.546 3.868 1.00 0.00 O ATOM 672 CB VAL A 40 8.532 -0.860 3.592 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.326 -1.636 3.131 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.799 -1.528 3.057 1.00 0.00 C ATOM 0 H VAL A 40 9.374 0.069 1.359 1.00 0.00 H new ATOM 0 HA VAL A 40 7.374 0.912 3.223 1.00 0.00 H new ATOM 0 HB VAL A 40 8.584 -0.856 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.408 -2.670 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.424 -1.189 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.272 -1.612 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.845 -2.557 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.782 -1.521 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.674 -0.983 3.410 1.00 0.00 H new ATOM 684 N SER A 41 8.606 2.274 4.793 1.00 0.00 N ATOM 685 CA SER A 41 9.224 3.149 5.709 1.00 0.00 C ATOM 686 C SER A 41 9.152 2.498 7.092 1.00 0.00 C ATOM 687 O SER A 41 8.408 1.518 7.301 1.00 0.00 O ATOM 688 CB SER A 41 8.487 4.501 5.689 1.00 0.00 C ATOM 689 OG SER A 41 9.131 5.475 6.498 1.00 0.00 O ATOM 0 H SER A 41 7.587 2.293 4.833 1.00 0.00 H new ATOM 0 HA SER A 41 10.267 3.331 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.427 4.865 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.464 4.360 6.038 1.00 0.00 H new ATOM 0 HG SER A 41 8.641 6.322 6.443 1.00 0.00 H new ATOM 695 N LYS A 42 9.917 3.005 8.007 1.00 0.00 N ATOM 696 CA LYS A 42 9.993 2.463 9.358 1.00 0.00 C ATOM 697 C LYS A 42 9.217 3.349 10.324 1.00 0.00 C ATOM 698 O LYS A 42 9.145 3.080 11.518 1.00 0.00 O ATOM 699 CB LYS A 42 11.465 2.419 9.790 1.00 0.00 C ATOM 700 CG LYS A 42 12.123 3.801 9.801 1.00 0.00 C ATOM 701 CD LYS A 42 13.610 3.744 10.097 1.00 0.00 C ATOM 702 CE LYS A 42 13.912 3.173 11.474 1.00 0.00 C ATOM 703 NZ LYS A 42 15.361 3.142 11.728 1.00 0.00 N ATOM 0 H LYS A 42 10.518 3.814 7.852 1.00 0.00 H new ATOM 0 HA LYS A 42 9.563 1.462 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.533 1.981 10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.017 1.764 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.968 4.279 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.633 4.426 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.104 3.136 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.030 4.747 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.419 3.775 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.504 2.165 11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.539 2.748 12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.826 2.548 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.743 4.108 11.678 1.00 0.00 H new ATOM 717 N ASN A 43 8.632 4.383 9.790 1.00 0.00 N ATOM 718 CA ASN A 43 7.994 5.403 10.596 1.00 0.00 C ATOM 719 C ASN A 43 6.518 5.141 10.738 1.00 0.00 C ATOM 720 O ASN A 43 5.870 4.662 9.804 1.00 0.00 O ATOM 721 CB ASN A 43 8.213 6.791 9.972 1.00 0.00 C ATOM 722 CG ASN A 43 9.680 7.140 9.806 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.310 7.703 10.695 1.00 0.00 O ATOM 724 ND2 ASN A 43 10.235 6.825 8.664 1.00 0.00 N ATOM 0 H ASN A 43 8.580 4.549 8.785 1.00 0.00 H new ATOM 0 HA ASN A 43 8.447 5.375 11.587 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.724 6.827 8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.734 7.544 10.597 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.216 7.047 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.687 6.357 7.942 1.00 0.00 H new ATOM 731 N ARG A 44 5.989 5.442 11.902 1.00 0.00 N ATOM 732 CA ARG A 44 4.573 5.310 12.160 1.00 0.00 C ATOM 733 C ARG A 44 4.020 6.713 12.399 1.00 0.00 C ATOM 734 O ARG A 44 4.094 7.227 13.517 1.00 0.00 O ATOM 735 CB ARG A 44 4.300 4.450 13.402 1.00 0.00 C ATOM 736 CG ARG A 44 5.047 3.124 13.453 1.00 0.00 C ATOM 737 CD ARG A 44 4.595 2.292 14.643 1.00 0.00 C ATOM 738 NE ARG A 44 4.609 3.063 15.895 1.00 0.00 N ATOM 739 CZ ARG A 44 3.945 2.722 17.004 1.00 0.00 C ATOM 740 NH1 ARG A 44 3.359 1.537 17.089 1.00 0.00 N ATOM 741 NH2 ARG A 44 3.892 3.560 18.036 1.00 0.00 N ATOM 0 H ARG A 44 6.528 5.785 12.697 1.00 0.00 H new ATOM 0 HA ARG A 44 4.097 4.823 11.309 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.560 5.029 14.288 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.230 4.248 13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.875 2.570 12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.119 3.308 13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.588 1.916 14.460 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.246 1.423 14.745 1.00 0.00 H new ATOM 0 HE ARG A 44 5.164 3.918 15.919 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.414 0.884 16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.853 1.278 17.936 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.359 4.465 17.982 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.385 3.297 18.881 1.00 0.00 H new ATOM 755 N PRO A 45 3.519 7.375 11.354 1.00 0.00 N ATOM 756 CA PRO A 45 3.056 8.757 11.445 1.00 0.00 C ATOM 757 C PRO A 45 1.648 8.881 12.016 1.00 0.00 C ATOM 758 O PRO A 45 0.871 7.902 12.060 1.00 0.00 O ATOM 759 CB PRO A 45 3.069 9.240 9.981 1.00 0.00 C ATOM 760 CG PRO A 45 3.584 8.081 9.180 1.00 0.00 C ATOM 761 CD PRO A 45 3.357 6.859 10.003 1.00 0.00 C ATOM 0 HA PRO A 45 3.687 9.339 12.117 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.070 9.529 9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.709 10.114 9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.062 8.008 8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.643 8.206 8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.365 6.437 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.078 6.074 9.776 1.00 0.00 H new ATOM 769 N LYS A 46 1.322 10.063 12.466 1.00 0.00 N ATOM 770 CA LYS A 46 0.005 10.330 12.966 1.00 0.00 C ATOM 771 C LYS A 46 -0.670 11.309 12.025 1.00 0.00 C ATOM 772 O LYS A 46 -1.764 11.052 11.528 1.00 0.00 O ATOM 773 CB LYS A 46 0.052 10.858 14.425 1.00 0.00 C ATOM 774 CG LYS A 46 -1.308 10.877 15.158 1.00 0.00 C ATOM 775 CD LYS A 46 -2.260 11.978 14.676 1.00 0.00 C ATOM 776 CE LYS A 46 -3.660 11.810 15.252 1.00 0.00 C ATOM 777 NZ LYS A 46 -3.665 11.766 16.724 1.00 0.00 N ATOM 0 H LYS A 46 1.958 10.860 12.495 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.576 9.408 13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.747 10.242 14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.457 11.870 14.416 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.793 9.909 15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.132 11.005 16.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.864 12.952 14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.311 11.963 13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.289 12.634 14.915 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.101 10.892 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.646 11.770 17.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.189 10.900 17.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.164 12.597 17.098 1.00 0.00 H new ATOM 791 N ASN A 47 0.001 12.411 11.744 1.00 0.00 N ATOM 792 CA ASN A 47 -0.550 13.433 10.866 1.00 0.00 C ATOM 793 C ASN A 47 -0.296 13.066 9.413 1.00 0.00 C ATOM 794 O ASN A 47 0.558 13.643 8.752 1.00 0.00 O ATOM 795 CB ASN A 47 0.021 14.833 11.174 1.00 0.00 C ATOM 796 CG ASN A 47 -0.601 15.945 10.320 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.780 15.890 9.942 1.00 0.00 O ATOM 798 ND2 ASN A 47 0.182 16.935 9.983 1.00 0.00 N ATOM 0 H ASN A 47 0.929 12.623 12.110 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.624 13.475 11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.142 15.060 12.228 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.099 14.821 11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.173 17.688 9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.148 16.955 10.309 1.00 0.00 H new ATOM 805 N ALA A 48 -0.963 12.038 8.982 1.00 0.00 N ATOM 806 CA ALA A 48 -0.918 11.535 7.647 1.00 0.00 C ATOM 807 C ALA A 48 -2.048 10.569 7.552 1.00 0.00 C ATOM 808 O ALA A 48 -2.539 10.106 8.590 1.00 0.00 O ATOM 809 CB ALA A 48 0.401 10.817 7.367 1.00 0.00 C ATOM 0 H ALA A 48 -1.585 11.501 9.586 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.995 12.344 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.403 10.446 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.230 11.512 7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.513 9.980 8.056 1.00 0.00 H new ATOM 815 N ILE A 49 -2.487 10.270 6.377 1.00 0.00 N ATOM 816 CA ILE A 49 -3.568 9.344 6.238 1.00 0.00 C ATOM 817 C ILE A 49 -3.012 7.940 6.220 1.00 0.00 C ATOM 818 O ILE A 49 -2.173 7.607 5.371 1.00 0.00 O ATOM 819 CB ILE A 49 -4.411 9.593 4.956 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.939 11.044 4.906 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.572 8.598 4.880 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.826 11.438 6.077 1.00 0.00 C ATOM 0 H ILE A 49 -2.121 10.647 5.503 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.236 9.484 7.088 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.763 9.443 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.088 11.725 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.499 11.181 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.153 8.785 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.179 7.582 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.212 8.718 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.149 12.472 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.699 10.786 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.266 11.339 7.007 1.00 0.00 H new ATOM 834 N VAL A 50 -3.421 7.153 7.178 1.00 0.00 N ATOM 835 CA VAL A 50 -3.037 5.778 7.224 1.00 0.00 C ATOM 836 C VAL A 50 -4.228 4.930 6.836 1.00 0.00 C ATOM 837 O VAL A 50 -5.285 4.972 7.476 1.00 0.00 O ATOM 838 CB VAL A 50 -2.408 5.324 8.596 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.123 6.085 8.882 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.372 5.474 9.762 1.00 0.00 C ATOM 0 H VAL A 50 -4.027 7.450 7.943 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.228 5.638 6.507 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.183 4.262 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.708 5.754 9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.403 5.895 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.336 7.153 8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.885 5.147 10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.665 6.519 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.257 4.864 9.583 1.00 0.00 H new ATOM 850 N ILE A 51 -4.090 4.227 5.765 1.00 0.00 N ATOM 851 CA ILE A 51 -5.167 3.422 5.260 1.00 0.00 C ATOM 852 C ILE A 51 -4.870 1.975 5.576 1.00 0.00 C ATOM 853 O ILE A 51 -3.793 1.483 5.261 1.00 0.00 O ATOM 854 CB ILE A 51 -5.343 3.608 3.726 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.492 5.101 3.382 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.564 2.837 3.244 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.622 5.394 1.897 1.00 0.00 C ATOM 0 H ILE A 51 -3.234 4.188 5.211 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.098 3.732 5.735 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.457 3.220 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.370 5.494 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.628 5.639 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.679 2.973 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.435 1.777 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.453 3.208 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.722 6.469 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.734 5.036 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.503 4.888 1.502 1.00 0.00 H new ATOM 869 N LYS A 52 -5.788 1.319 6.229 1.00 0.00 N ATOM 870 CA LYS A 52 -5.624 -0.059 6.619 1.00 0.00 C ATOM 871 C LYS A 52 -5.687 -0.958 5.380 1.00 0.00 C ATOM 872 O LYS A 52 -6.501 -0.715 4.491 1.00 0.00 O ATOM 873 CB LYS A 52 -6.690 -0.394 7.676 1.00 0.00 C ATOM 874 CG LYS A 52 -6.635 -1.796 8.233 1.00 0.00 C ATOM 875 CD LYS A 52 -7.487 -1.950 9.490 1.00 0.00 C ATOM 876 CE LYS A 52 -8.974 -1.690 9.261 1.00 0.00 C ATOM 877 NZ LYS A 52 -9.582 -2.668 8.349 1.00 0.00 N ATOM 0 H LYS A 52 -6.680 1.727 6.509 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.647 -0.233 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.592 0.310 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.675 -0.235 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.978 -2.500 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.601 -2.054 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.360 -2.959 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.121 -1.263 10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.496 -1.717 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.106 -0.687 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.507 -2.962 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.708 -2.237 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.962 -3.499 8.268 1.00 0.00 H new ATOM 891 N MET A 53 -4.826 -2.002 5.346 1.00 0.00 N ATOM 892 CA MET A 53 -4.646 -2.887 4.161 1.00 0.00 C ATOM 893 C MET A 53 -5.951 -3.436 3.638 1.00 0.00 C ATOM 894 O MET A 53 -6.135 -3.572 2.443 1.00 0.00 O ATOM 895 CB MET A 53 -3.679 -4.047 4.446 1.00 0.00 C ATOM 896 CG MET A 53 -2.261 -3.617 4.789 1.00 0.00 C ATOM 897 SD MET A 53 -1.117 -5.008 4.943 1.00 0.00 S ATOM 898 CE MET A 53 -1.892 -5.957 6.247 1.00 0.00 C ATOM 0 H MET A 53 -4.235 -2.258 6.137 1.00 0.00 H new ATOM 0 HA MET A 53 -4.213 -2.249 3.390 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.075 -4.639 5.271 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.646 -4.699 3.573 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.897 -2.938 4.018 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.273 -3.059 5.725 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.178 -6.676 6.647 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.215 -5.286 7.043 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.756 -6.488 5.847 1.00 0.00 H new ATOM 908 N ASP A 54 -6.839 -3.729 4.546 1.00 0.00 N ATOM 909 CA ASP A 54 -8.187 -4.219 4.254 1.00 0.00 C ATOM 910 C ASP A 54 -8.985 -3.315 3.269 1.00 0.00 C ATOM 911 O ASP A 54 -9.831 -3.800 2.522 1.00 0.00 O ATOM 912 CB ASP A 54 -8.928 -4.407 5.581 1.00 0.00 C ATOM 913 CG ASP A 54 -10.427 -4.448 5.460 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.979 -5.488 5.074 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.067 -3.428 5.773 1.00 0.00 O ATOM 0 H ASP A 54 -6.654 -3.636 5.545 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.096 -5.172 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.588 -5.334 6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.653 -3.595 6.254 1.00 0.00 H new ATOM 920 N ASN A 55 -8.686 -2.026 3.251 1.00 0.00 N ATOM 921 CA ASN A 55 -9.375 -1.065 2.360 1.00 0.00 C ATOM 922 C ASN A 55 -8.732 -1.067 0.967 1.00 0.00 C ATOM 923 O ASN A 55 -9.274 -0.519 0.000 1.00 0.00 O ATOM 924 CB ASN A 55 -9.329 0.359 2.976 1.00 0.00 C ATOM 925 CG ASN A 55 -10.027 1.443 2.145 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.227 1.676 2.282 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.281 2.147 1.320 1.00 0.00 N ATOM 0 H ASN A 55 -7.969 -1.605 3.841 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.417 -1.369 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.788 0.327 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.287 0.645 3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.696 2.904 0.777 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.288 1.935 1.223 1.00 0.00 H new ATOM 934 N LEU A 56 -7.594 -1.691 0.867 1.00 0.00 N ATOM 935 CA LEU A 56 -6.863 -1.731 -0.370 1.00 0.00 C ATOM 936 C LEU A 56 -7.317 -2.900 -1.217 1.00 0.00 C ATOM 937 O LEU A 56 -7.609 -3.987 -0.688 1.00 0.00 O ATOM 938 CB LEU A 56 -5.328 -1.789 -0.141 1.00 0.00 C ATOM 939 CG LEU A 56 -4.622 -0.491 0.320 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.787 0.611 -0.699 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.114 -0.030 1.674 1.00 0.00 C ATOM 0 H LEU A 56 -7.146 -2.186 1.638 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.076 -0.804 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.128 -2.562 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.862 -2.113 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.561 -0.724 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.281 1.510 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.352 0.297 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.847 0.822 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.592 0.884 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.185 0.164 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.919 -0.805 2.415 1.00 0.00 H new ATOM 953 N PRO A 57 -7.427 -2.691 -2.545 1.00 0.00 N ATOM 954 CA PRO A 57 -7.783 -3.748 -3.486 1.00 0.00 C ATOM 955 C PRO A 57 -6.807 -4.916 -3.373 1.00 0.00 C ATOM 956 O PRO A 57 -5.627 -4.725 -2.986 1.00 0.00 O ATOM 957 CB PRO A 57 -7.629 -3.074 -4.853 1.00 0.00 C ATOM 958 CG PRO A 57 -7.809 -1.632 -4.585 1.00 0.00 C ATOM 959 CD PRO A 57 -7.235 -1.397 -3.225 1.00 0.00 C ATOM 0 HA PRO A 57 -8.780 -4.152 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.649 -3.277 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.372 -3.441 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.298 -1.028 -5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.863 -1.357 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.181 -1.122 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.751 -0.589 -2.705 1.00 0.00 H new ATOM 967 N ILE A 58 -7.257 -6.109 -3.731 1.00 0.00 N ATOM 968 CA ILE A 58 -6.414 -7.292 -3.611 1.00 0.00 C ATOM 969 C ILE A 58 -5.157 -7.189 -4.471 1.00 0.00 C ATOM 970 O ILE A 58 -4.125 -7.750 -4.127 1.00 0.00 O ATOM 971 CB ILE A 58 -7.181 -8.668 -3.791 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.884 -8.841 -5.161 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.180 -8.871 -2.664 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.965 -9.134 -6.337 1.00 0.00 C ATOM 0 H ILE A 58 -8.190 -6.285 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.087 -7.307 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.408 -9.435 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.608 -9.651 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.445 -7.932 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.698 -9.820 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.654 -8.881 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.906 -8.058 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.558 -9.237 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.256 -8.315 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.421 -10.061 -6.152 1.00 0.00 H new ATOM 986 N GLU A 59 -5.257 -6.399 -5.547 1.00 0.00 N ATOM 987 CA GLU A 59 -4.146 -6.125 -6.460 1.00 0.00 C ATOM 988 C GLU A 59 -2.994 -5.443 -5.687 1.00 0.00 C ATOM 989 O GLU A 59 -1.815 -5.751 -5.879 1.00 0.00 O ATOM 990 CB GLU A 59 -4.622 -5.179 -7.591 1.00 0.00 C ATOM 991 CG GLU A 59 -5.854 -5.669 -8.360 1.00 0.00 C ATOM 992 CD GLU A 59 -6.346 -4.671 -9.405 1.00 0.00 C ATOM 993 OE1 GLU A 59 -6.817 -3.570 -9.024 1.00 0.00 O ATOM 994 OE2 GLU A 59 -6.316 -4.980 -10.618 1.00 0.00 O ATOM 0 H GLU A 59 -6.123 -5.928 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.797 -7.065 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.844 -4.203 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.803 -5.037 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.616 -6.612 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.659 -5.872 -7.653 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.361 -4.553 -4.778 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.394 -3.779 -4.016 1.00 0.00 C ATOM 1003 C VAL A 60 -1.762 -4.635 -2.927 1.00 0.00 C ATOM 1004 O VAL A 60 -0.539 -4.674 -2.794 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.042 -2.517 -3.386 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.013 -1.678 -2.635 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.733 -1.684 -4.451 1.00 0.00 C ATOM 0 H VAL A 60 -4.333 -4.348 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.619 -3.452 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.788 -2.852 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.500 -0.802 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.570 -2.274 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.232 -1.357 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.181 -0.804 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.004 -1.371 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.511 -2.279 -4.930 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.596 -5.362 -2.176 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.097 -6.219 -1.088 1.00 0.00 C ATOM 1019 C LYS A 61 -1.210 -7.315 -1.649 1.00 0.00 C ATOM 1020 O LYS A 61 -0.260 -7.764 -0.997 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.233 -6.835 -0.268 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.184 -5.828 0.351 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.181 -6.458 1.349 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.082 -7.554 0.754 1.00 0.00 C ATOM 1025 NZ LYS A 61 -5.410 -8.880 0.649 1.00 0.00 N ATOM 0 H LYS A 61 -3.609 -5.377 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.516 -5.585 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.803 -7.507 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.801 -7.443 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.605 -5.060 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.741 -5.330 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.621 -6.881 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.813 -5.669 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.975 -7.655 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.413 -7.243 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.314 -9.142 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.467 -8.827 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.979 -9.598 1.142 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.525 -7.727 -2.864 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.741 -8.702 -3.606 1.00 0.00 C ATOM 1041 C ASP A 62 0.678 -8.194 -3.767 1.00 0.00 C ATOM 1042 O ASP A 62 1.638 -8.862 -3.381 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.375 -8.928 -4.982 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.596 -9.863 -5.859 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.647 -11.078 -5.629 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.078 -9.400 -6.810 1.00 0.00 O ATOM 0 H ASP A 62 -2.343 -7.390 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.723 -9.646 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.382 -9.324 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.475 -7.968 -5.488 1.00 0.00 H new ATOM 1051 N LYS A 63 0.799 -6.975 -4.272 1.00 0.00 N ATOM 1052 CA LYS A 63 2.101 -6.349 -4.493 1.00 0.00 C ATOM 1053 C LYS A 63 2.846 -6.137 -3.177 1.00 0.00 C ATOM 1054 O LYS A 63 4.057 -6.360 -3.099 1.00 0.00 O ATOM 1055 CB LYS A 63 1.939 -5.027 -5.232 1.00 0.00 C ATOM 1056 CG LYS A 63 1.169 -5.181 -6.518 1.00 0.00 C ATOM 1057 CD LYS A 63 1.084 -3.893 -7.297 1.00 0.00 C ATOM 1058 CE LYS A 63 0.202 -4.075 -8.520 1.00 0.00 C ATOM 1059 NZ LYS A 63 0.644 -5.214 -9.353 1.00 0.00 N ATOM 0 H LYS A 63 0.005 -6.393 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 63 2.695 -7.024 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.426 -4.313 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.923 -4.611 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.645 -5.944 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.162 -5.534 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.681 -3.103 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.082 -3.578 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.829 -4.235 -8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.215 -3.163 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.180 -5.165 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.676 -5.173 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.388 -6.107 -8.885 1.00 0.00 H new ATOM 1073 N LEU A 64 2.111 -5.740 -2.140 1.00 0.00 N ATOM 1074 CA LEU A 64 2.688 -5.536 -0.809 1.00 0.00 C ATOM 1075 C LEU A 64 3.314 -6.838 -0.304 1.00 0.00 C ATOM 1076 O LEU A 64 4.438 -6.854 0.224 1.00 0.00 O ATOM 1077 CB LEU A 64 1.621 -5.046 0.189 1.00 0.00 C ATOM 1078 CG LEU A 64 0.893 -3.734 -0.151 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.107 -3.381 0.938 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.876 -2.588 -0.362 1.00 0.00 C ATOM 0 H LEU A 64 1.110 -5.552 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 64 3.460 -4.770 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.872 -5.831 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.098 -4.926 1.162 1.00 0.00 H new ATOM 0 HG LEU A 64 0.354 -3.888 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.612 -2.450 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.843 -4.180 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.416 -3.259 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.327 -1.677 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.456 -2.434 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.548 -2.832 -1.184 1.00 0.00 H new ATOM 1092 N THR A 65 2.609 -7.923 -0.511 1.00 0.00 N ATOM 1093 CA THR A 65 3.074 -9.226 -0.125 1.00 0.00 C ATOM 1094 C THR A 65 4.293 -9.615 -0.958 1.00 0.00 C ATOM 1095 O THR A 65 5.334 -9.952 -0.415 1.00 0.00 O ATOM 1096 CB THR A 65 1.948 -10.269 -0.276 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.789 -9.802 0.436 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.370 -11.614 0.294 1.00 0.00 C ATOM 0 H THR A 65 1.691 -7.923 -0.955 1.00 0.00 H new ATOM 0 HA THR A 65 3.368 -9.199 0.924 1.00 0.00 H new ATOM 0 HB THR A 65 1.727 -10.397 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.300 -9.160 -0.120 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.558 -12.331 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.252 -11.973 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.603 -11.503 1.353 1.00 0.00 H new ATOM 1106 N ARG A 66 4.174 -9.457 -2.256 1.00 0.00 N ATOM 1107 CA ARG A 66 5.224 -9.819 -3.199 1.00 0.00 C ATOM 1108 C ARG A 66 6.527 -9.050 -2.991 1.00 0.00 C ATOM 1109 O ARG A 66 7.601 -9.548 -3.329 1.00 0.00 O ATOM 1110 CB ARG A 66 4.709 -9.678 -4.616 1.00 0.00 C ATOM 1111 CG ARG A 66 3.660 -10.716 -4.949 1.00 0.00 C ATOM 1112 CD ARG A 66 2.891 -10.370 -6.197 1.00 0.00 C ATOM 1113 NE ARG A 66 3.728 -10.192 -7.380 1.00 0.00 N ATOM 1114 CZ ARG A 66 3.270 -9.771 -8.556 1.00 0.00 C ATOM 1115 NH1 ARG A 66 1.994 -9.404 -8.685 1.00 0.00 N ATOM 1116 NH2 ARG A 66 4.090 -9.685 -9.589 1.00 0.00 N ATOM 0 H ARG A 66 3.340 -9.070 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 66 5.480 -10.862 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.287 -8.682 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.541 -9.768 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.140 -11.686 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.968 -10.811 -4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.164 -11.158 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.328 -9.453 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 66 4.723 -10.403 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.368 -9.446 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.645 -9.081 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.072 -9.941 -9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.741 -9.363 -10.492 1.00 0.00 H new ATOM 1130 N PHE A 67 6.451 -7.855 -2.458 1.00 0.00 N ATOM 1131 CA PHE A 67 7.655 -7.127 -2.185 1.00 0.00 C ATOM 1132 C PHE A 67 8.179 -7.403 -0.772 1.00 0.00 C ATOM 1133 O PHE A 67 9.296 -7.913 -0.603 1.00 0.00 O ATOM 1134 CB PHE A 67 7.477 -5.610 -2.418 1.00 0.00 C ATOM 1135 CG PHE A 67 8.752 -4.812 -2.191 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.905 -5.123 -2.893 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.805 -3.782 -1.255 1.00 0.00 C ATOM 1138 CE1 PHE A 67 11.071 -4.422 -2.677 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.973 -3.084 -1.036 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.105 -3.404 -1.744 1.00 0.00 C ATOM 0 H PHE A 67 5.584 -7.378 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 67 8.402 -7.485 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.130 -5.445 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.699 -5.236 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.890 -5.924 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.919 -3.527 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.960 -4.669 -3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.998 -2.286 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.022 -2.860 -1.571 1.00 0.00 H new ATOM 1150 N PHE A 68 7.386 -7.111 0.234 1.00 0.00 N ATOM 1151 CA PHE A 68 7.895 -7.184 1.599 1.00 0.00 C ATOM 1152 C PHE A 68 7.153 -8.156 2.519 1.00 0.00 C ATOM 1153 O PHE A 68 7.777 -8.843 3.327 1.00 0.00 O ATOM 1154 CB PHE A 68 7.947 -5.777 2.236 1.00 0.00 C ATOM 1155 CG PHE A 68 6.606 -5.101 2.362 1.00 0.00 C ATOM 1156 CD1 PHE A 68 6.082 -4.373 1.312 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.877 -5.194 3.533 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.863 -3.757 1.421 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.654 -4.582 3.646 1.00 0.00 C ATOM 1160 CZ PHE A 68 4.146 -3.861 2.588 1.00 0.00 C ATOM 0 H PHE A 68 6.410 -6.827 0.146 1.00 0.00 H new ATOM 0 HA PHE A 68 8.901 -7.593 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.395 -5.856 3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.604 -5.145 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.641 -4.288 0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.274 -5.754 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.467 -3.191 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.090 -4.666 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.184 -3.378 2.676 1.00 0.00 H new ATOM 1170 N LEU A 69 5.843 -8.249 2.385 1.00 0.00 N ATOM 1171 CA LEU A 69 5.031 -8.948 3.392 1.00 0.00 C ATOM 1172 C LEU A 69 4.960 -10.475 3.161 1.00 0.00 C ATOM 1173 O LEU A 69 4.181 -11.185 3.805 1.00 0.00 O ATOM 1174 CB LEU A 69 3.630 -8.283 3.484 1.00 0.00 C ATOM 1175 CG LEU A 69 2.711 -8.719 4.634 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.337 -8.388 5.985 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.351 -8.055 4.501 1.00 0.00 C ATOM 0 H LEU A 69 5.315 -7.859 1.604 1.00 0.00 H new ATOM 0 HA LEU A 69 5.524 -8.843 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.774 -7.205 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.107 -8.470 2.546 1.00 0.00 H new ATOM 0 HG LEU A 69 2.580 -9.800 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.667 -8.706 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.290 -8.908 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.501 -7.313 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.709 -8.373 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.470 -6.972 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.896 -8.343 3.553 1.00 0.00 H new ATOM 1189 N LEU A 70 5.803 -10.975 2.276 1.00 0.00 N ATOM 1190 CA LEU A 70 5.873 -12.408 2.016 1.00 0.00 C ATOM 1191 C LEU A 70 6.702 -13.134 3.063 1.00 0.00 C ATOM 1192 O LEU A 70 6.631 -14.355 3.184 1.00 0.00 O ATOM 1193 CB LEU A 70 6.364 -12.724 0.568 1.00 0.00 C ATOM 1194 CG LEU A 70 7.695 -12.083 0.061 1.00 0.00 C ATOM 1195 CD1 LEU A 70 8.928 -12.605 0.790 1.00 0.00 C ATOM 1196 CD2 LEU A 70 7.844 -12.306 -1.434 1.00 0.00 C ATOM 0 H LEU A 70 6.450 -10.413 1.723 1.00 0.00 H new ATOM 0 HA LEU A 70 4.854 -12.788 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.468 -13.806 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.573 -12.426 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 70 7.630 -11.016 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.819 -12.120 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.841 -12.386 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.006 -13.683 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.775 -11.855 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.860 -13.376 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.004 -11.847 -1.956 1.00 0.00 H new ATOM 1208 N GLU A 71 7.481 -12.394 3.821 1.00 0.00 N ATOM 1209 CA GLU A 71 8.317 -13.011 4.803 1.00 0.00 C ATOM 1210 C GLU A 71 7.543 -13.252 6.094 1.00 0.00 C ATOM 1211 O GLU A 71 6.425 -12.720 6.274 1.00 0.00 O ATOM 1212 CB GLU A 71 9.655 -12.243 4.996 1.00 0.00 C ATOM 1213 CG GLU A 71 9.552 -10.806 5.496 1.00 0.00 C ATOM 1214 CD GLU A 71 9.929 -10.665 6.956 1.00 0.00 C ATOM 1215 OE1 GLU A 71 9.089 -10.923 7.825 1.00 0.00 O ATOM 1216 OE2 GLU A 71 11.089 -10.302 7.255 1.00 0.00 O ATOM 0 H GLU A 71 7.547 -11.377 3.771 1.00 0.00 H new ATOM 0 HA GLU A 71 8.614 -13.994 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.272 -12.804 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.184 -12.235 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.201 -10.169 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.532 -10.448 5.352 1.00 0.00 H new ATOM 1223 N HIS A 72 8.110 -14.087 6.934 1.00 0.00 N ATOM 1224 CA HIS A 72 7.535 -14.521 8.217 1.00 0.00 C ATOM 1225 C HIS A 72 6.890 -13.403 9.046 1.00 0.00 C ATOM 1226 O HIS A 72 7.567 -12.509 9.527 1.00 0.00 O ATOM 1227 CB HIS A 72 8.592 -15.269 9.068 1.00 0.00 C ATOM 1228 CG HIS A 72 9.951 -14.592 9.194 1.00 0.00 C ATOM 1229 ND1 HIS A 72 10.163 -13.228 9.093 1.00 0.00 N ATOM 1230 CD2 HIS A 72 11.171 -15.129 9.366 1.00 0.00 C ATOM 1231 CE1 HIS A 72 11.443 -12.973 9.198 1.00 0.00 C ATOM 1232 NE2 HIS A 72 12.080 -14.104 9.365 1.00 0.00 N ATOM 0 H HIS A 72 9.021 -14.507 6.749 1.00 0.00 H new ATOM 0 HA HIS A 72 6.722 -15.195 7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.187 -15.414 10.069 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.740 -16.260 8.638 1.00 0.00 H new ATOM 0 HD1 HIS A 72 9.433 -12.528 8.957 1.00 0.00 H new ATOM 0 HD2 HIS A 72 11.394 -16.179 9.484 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.897 -11.994 9.154 1.00 0.00 H new ATOM 1241 N HIS A 73 5.575 -13.483 9.229 1.00 0.00 N ATOM 1242 CA HIS A 73 4.887 -12.505 10.052 1.00 0.00 C ATOM 1243 C HIS A 73 5.305 -12.703 11.500 1.00 0.00 C ATOM 1244 O HIS A 73 5.467 -11.741 12.244 1.00 0.00 O ATOM 1245 CB HIS A 73 3.357 -12.567 9.889 1.00 0.00 C ATOM 1246 CG HIS A 73 2.626 -11.494 10.666 1.00 0.00 C ATOM 1247 ND1 HIS A 73 2.604 -10.168 10.283 1.00 0.00 N ATOM 1248 CD2 HIS A 73 1.907 -11.554 11.813 1.00 0.00 C ATOM 1249 CE1 HIS A 73 1.911 -9.473 11.152 1.00 0.00 C ATOM 1250 NE2 HIS A 73 1.477 -10.285 12.088 1.00 0.00 N ATOM 0 H HIS A 73 4.977 -14.203 8.825 1.00 0.00 H new ATOM 0 HA HIS A 73 5.176 -11.507 9.721 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.108 -12.473 8.832 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.004 -13.545 10.215 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.710 -12.439 12.400 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.728 -8.410 11.106 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.910 -10.013 12.891 1.00 0.00 H new ATOM 1259 N HIS A 74 5.488 -13.949 11.889 1.00 0.00 N ATOM 1260 CA HIS A 74 6.039 -14.226 13.188 1.00 0.00 C ATOM 1261 C HIS A 74 7.508 -14.544 13.006 1.00 0.00 C ATOM 1262 O HIS A 74 7.886 -15.632 12.562 1.00 0.00 O ATOM 1263 CB HIS A 74 5.272 -15.320 14.013 1.00 0.00 C ATOM 1264 CG HIS A 74 5.208 -16.711 13.430 1.00 0.00 C ATOM 1265 ND1 HIS A 74 6.060 -17.731 13.798 1.00 0.00 N ATOM 1266 CD2 HIS A 74 4.368 -17.247 12.525 1.00 0.00 C ATOM 1267 CE1 HIS A 74 5.744 -18.823 13.141 1.00 0.00 C ATOM 1268 NE2 HIS A 74 4.721 -18.556 12.362 1.00 0.00 N ATOM 0 H HIS A 74 5.265 -14.772 11.329 1.00 0.00 H new ATOM 0 HA HIS A 74 5.916 -13.338 13.808 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.737 -15.388 14.997 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.251 -14.972 14.167 1.00 0.00 H new ATOM 0 HD1 HIS A 74 6.818 -17.650 14.476 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.562 -16.735 12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.241 -19.778 13.227 1.00 0.00 H new ATOM 1277 N HIS A 75 8.327 -13.575 13.276 1.00 0.00 N ATOM 1278 CA HIS A 75 9.757 -13.697 13.081 1.00 0.00 C ATOM 1279 C HIS A 75 10.464 -14.408 14.227 1.00 0.00 C ATOM 1280 O HIS A 75 11.249 -13.817 14.955 1.00 0.00 O ATOM 1281 CB HIS A 75 10.441 -12.364 12.666 1.00 0.00 C ATOM 1282 CG HIS A 75 10.104 -11.154 13.504 1.00 0.00 C ATOM 1283 ND1 HIS A 75 9.514 -10.035 12.980 1.00 0.00 N ATOM 1284 CD2 HIS A 75 10.318 -10.876 14.810 1.00 0.00 C ATOM 1285 CE1 HIS A 75 9.385 -9.128 13.918 1.00 0.00 C ATOM 1286 NE2 HIS A 75 9.864 -9.611 15.039 1.00 0.00 N ATOM 0 H HIS A 75 8.031 -12.669 13.640 1.00 0.00 H new ATOM 0 HA HIS A 75 9.872 -14.356 12.220 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.521 -12.510 12.693 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.174 -12.149 11.631 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.766 -11.535 15.538 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.955 -8.146 13.789 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.892 -9.122 15.934 1.00 0.00 H new ATOM 1295 N HIS A 76 10.088 -15.663 14.384 1.00 0.00 N ATOM 1296 CA HIS A 76 10.618 -16.654 15.328 1.00 0.00 C ATOM 1297 C HIS A 76 9.715 -17.855 15.295 1.00 0.00 C ATOM 1298 O HIS A 76 8.500 -17.719 15.091 1.00 0.00 O ATOM 1299 CB HIS A 76 10.774 -16.157 16.792 1.00 0.00 C ATOM 1300 CG HIS A 76 12.175 -15.710 17.129 1.00 0.00 C ATOM 1301 ND1 HIS A 76 12.489 -14.464 17.626 1.00 0.00 N ATOM 1302 CD2 HIS A 76 13.350 -16.379 17.055 1.00 0.00 C ATOM 1303 CE1 HIS A 76 13.787 -14.389 17.837 1.00 0.00 C ATOM 1304 NE2 HIS A 76 14.330 -15.536 17.500 1.00 0.00 N ATOM 0 H HIS A 76 9.342 -16.058 13.811 1.00 0.00 H new ATOM 0 HA HIS A 76 11.632 -16.885 15.002 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.086 -15.329 16.961 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.483 -16.957 17.472 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.488 -17.392 16.708 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.315 -13.529 18.222 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.323 -15.762 17.560 1.00 0.00 H new ATOM 1313 N HIS A 77 10.290 -19.012 15.450 1.00 0.00 N ATOM 1314 CA HIS A 77 9.553 -20.246 15.435 1.00 0.00 C ATOM 1315 C HIS A 77 10.169 -21.201 16.424 1.00 0.00 C ATOM 1316 O HIS A 77 11.386 -21.459 16.329 1.00 0.00 O ATOM 1317 CB HIS A 77 9.450 -20.862 14.010 1.00 0.00 C ATOM 1318 CG HIS A 77 10.750 -21.263 13.355 1.00 0.00 C ATOM 1319 ND1 HIS A 77 11.521 -20.396 12.620 1.00 0.00 N ATOM 1320 CD2 HIS A 77 11.401 -22.455 13.316 1.00 0.00 C ATOM 1321 CE1 HIS A 77 12.577 -21.025 12.160 1.00 0.00 C ATOM 1322 NE2 HIS A 77 12.530 -22.270 12.568 1.00 0.00 N ATOM 1323 OXT HIS A 77 9.457 -21.697 17.308 1.00 0.00 O ATOM 0 H HIS A 77 11.293 -19.129 15.592 1.00 0.00 H new ATOM 0 HA HIS A 77 8.525 -20.040 15.734 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.809 -21.742 14.064 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.949 -20.142 13.362 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.086 -23.375 13.787 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.354 -20.590 11.548 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.225 -22.987 12.360 1.00 0.00 H new TER 1332 HIS A 77