USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=24 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 74 HIS : no HD1:sc= -0.0352 X(o=0.89,f=0.96) USER MOD Set 1.2: A 76 HIS : no HE2:sc= 0.923 K(o=0.89,f=-4.5!) USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.106 USER MOD Set 2.2: A 39 HIS :FLIP no HE2:sc= 0.109 F(o=-0.84,f=0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0362 (180deg=-0.0362) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0283 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -132:sc= -0.0281 (180deg=-0.224) USER MOD Single : A 4 HIS : no HE2:sc= 0.742 K(o=0.74,f=-4.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0.00881 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.38! C(o=-2.4!,f=-9.2!) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 1 (180deg=0.0356) USER MOD Single : A 17 TYR OH : rot -149:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 1.14 (180deg=0.608) USER MOD Single : A 25 SER OG : rot 64:sc= 0.263 USER MOD Single : A 29 ASN : amide:sc= -0.0035 X(o=-0.0035,f=-0.49) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.11) USER MOD Single : A 34 TYR OH : rot 52:sc= 1.23 USER MOD Single : A 38 SER OG : rot 85:sc= 1.05 USER MOD Single : A 41 SER OG : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.0146 (180deg=-0.193) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0.9 (180deg=0.847) USER MOD Single : A 53 MET CE :methyl -169:sc= -0.0905 (180deg=-0.199) USER MOD Single : A 55 ASN : amide:sc= -0.0622 X(o=-0.062,f=-0.062) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 2.05 (180deg=1.64) USER MOD Single : A 65 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.102 20.425 -1.190 1.00 0.00 N ATOM 2 CA MET A 1 -0.570 19.151 -0.981 1.00 0.00 C ATOM 3 C MET A 1 -1.545 18.915 -2.110 1.00 0.00 C ATOM 4 O MET A 1 -2.264 19.843 -2.500 1.00 0.00 O ATOM 5 CB MET A 1 -1.301 19.146 0.364 1.00 0.00 C ATOM 6 CG MET A 1 -1.972 17.826 0.708 1.00 0.00 C ATOM 7 SD MET A 1 -0.807 16.445 0.720 1.00 0.00 S ATOM 8 CE MET A 1 -1.881 15.126 1.278 1.00 0.00 C ATOM 0 H1 MET A 1 0.113 20.962 -0.299 1.00 0.00 H new ATOM 0 H2 MET A 1 1.079 20.255 -1.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.405 20.970 -1.916 1.00 0.00 H new ATOM 0 HA MET A 1 0.170 18.350 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.590 19.394 1.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.056 19.932 0.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.446 17.906 1.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.763 17.624 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.314 14.197 1.340 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.281 15.374 2.261 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.703 15.003 0.573 1.00 0.00 H new ATOM 20 N LEU A 2 -1.531 17.687 -2.642 1.00 0.00 N ATOM 21 CA LEU A 2 -2.399 17.234 -3.734 1.00 0.00 C ATOM 22 C LEU A 2 -2.023 17.862 -5.081 1.00 0.00 C ATOM 23 O LEU A 2 -2.496 18.939 -5.447 1.00 0.00 O ATOM 24 CB LEU A 2 -3.904 17.413 -3.416 1.00 0.00 C ATOM 25 CG LEU A 2 -4.896 16.908 -4.479 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.775 15.400 -4.672 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.317 17.288 -4.103 1.00 0.00 C ATOM 0 H LEU A 2 -0.896 16.959 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.226 16.162 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.118 16.899 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.094 18.473 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.648 17.387 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.488 15.072 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.763 15.155 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.987 14.894 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.005 16.923 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.571 16.841 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.397 18.373 -4.032 1.00 0.00 H new ATOM 39 N LYS A 3 -1.116 17.212 -5.775 1.00 0.00 N ATOM 40 CA LYS A 3 -0.735 17.627 -7.113 1.00 0.00 C ATOM 41 C LYS A 3 -1.701 16.948 -8.100 1.00 0.00 C ATOM 42 O LYS A 3 -2.559 17.590 -8.687 1.00 0.00 O ATOM 43 CB LYS A 3 0.736 17.244 -7.379 1.00 0.00 C ATOM 44 CG LYS A 3 1.288 17.635 -8.748 1.00 0.00 C ATOM 45 CD LYS A 3 1.323 19.143 -8.964 1.00 0.00 C ATOM 46 CE LYS A 3 1.877 19.485 -10.349 1.00 0.00 C ATOM 47 NZ LYS A 3 3.269 19.014 -10.523 1.00 0.00 N ATOM 0 H LYS A 3 -0.623 16.387 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.805 18.708 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.357 17.708 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.838 16.165 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.296 17.234 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.677 17.176 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.318 19.553 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.940 19.610 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.244 19.035 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.838 20.564 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.849 19.782 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.656 18.726 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.282 18.202 -11.173 1.00 0.00 H new ATOM 61 N HIS A 4 -1.543 15.653 -8.270 1.00 0.00 N ATOM 62 CA HIS A 4 -2.514 14.813 -8.986 1.00 0.00 C ATOM 63 C HIS A 4 -2.669 13.561 -8.150 1.00 0.00 C ATOM 64 O HIS A 4 -3.239 12.565 -8.560 1.00 0.00 O ATOM 65 CB HIS A 4 -2.076 14.444 -10.439 1.00 0.00 C ATOM 66 CG HIS A 4 -2.026 15.598 -11.420 1.00 0.00 C ATOM 67 ND1 HIS A 4 -3.058 15.919 -12.284 1.00 0.00 N ATOM 68 CD2 HIS A 4 -1.057 16.511 -11.668 1.00 0.00 C ATOM 69 CE1 HIS A 4 -2.719 16.969 -12.996 1.00 0.00 C ATOM 70 NE2 HIS A 4 -1.518 17.345 -12.642 1.00 0.00 N ATOM 0 H HIS A 4 -0.736 15.138 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.448 15.361 -9.108 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.089 13.984 -10.396 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.762 13.691 -10.826 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -3.944 15.418 -12.357 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.094 16.568 -11.182 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.331 17.443 -13.749 1.00 0.00 H new ATOM 79 N GLY A 5 -2.174 13.668 -6.934 1.00 0.00 N ATOM 80 CA GLY A 5 -2.154 12.587 -6.024 1.00 0.00 C ATOM 81 C GLY A 5 -1.624 13.034 -4.696 1.00 0.00 C ATOM 82 O GLY A 5 -1.068 14.143 -4.591 1.00 0.00 O ATOM 0 H GLY A 5 -1.773 14.530 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.160 12.185 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.534 11.782 -6.418 1.00 0.00 H new ATOM 86 N LYS A 6 -1.798 12.209 -3.699 1.00 0.00 N ATOM 87 CA LYS A 6 -1.367 12.497 -2.344 1.00 0.00 C ATOM 88 C LYS A 6 -0.529 11.346 -1.791 1.00 0.00 C ATOM 89 O LYS A 6 -0.621 10.221 -2.281 1.00 0.00 O ATOM 90 CB LYS A 6 -2.591 12.758 -1.455 1.00 0.00 C ATOM 91 CG LYS A 6 -3.616 11.628 -1.452 1.00 0.00 C ATOM 92 CD LYS A 6 -4.839 11.994 -0.633 1.00 0.00 C ATOM 93 CE LYS A 6 -5.901 10.910 -0.709 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.128 11.285 0.031 1.00 0.00 N ATOM 0 H LYS A 6 -2.250 11.300 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.743 13.391 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.253 12.929 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.079 13.674 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.915 11.403 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.162 10.724 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.550 12.150 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.252 12.936 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.151 10.719 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.501 9.981 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.827 10.519 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.895 11.442 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.524 12.157 -0.373 1.00 0.00 H new ATOM 108 N TYR A 7 0.281 11.628 -0.798 1.00 0.00 N ATOM 109 CA TYR A 7 1.099 10.610 -0.155 1.00 0.00 C ATOM 110 C TYR A 7 0.505 10.192 1.154 1.00 0.00 C ATOM 111 O TYR A 7 0.290 11.024 2.046 1.00 0.00 O ATOM 112 CB TYR A 7 2.529 11.085 0.086 1.00 0.00 C ATOM 113 CG TYR A 7 3.412 11.065 -1.123 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.025 9.885 -1.516 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.658 12.212 -1.858 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.856 9.843 -2.606 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.494 12.180 -2.951 1.00 0.00 C ATOM 118 CZ TYR A 7 5.089 10.993 -3.317 1.00 0.00 C ATOM 119 OH TYR A 7 5.923 10.959 -4.401 1.00 0.00 O ATOM 0 H TYR A 7 0.396 12.564 -0.409 1.00 0.00 H new ATOM 0 HA TYR A 7 1.124 9.762 -0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.497 12.102 0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.979 10.460 0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.844 8.981 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.189 13.142 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.322 8.915 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.682 13.080 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 7 5.884 10.072 -4.816 1.00 0.00 H new ATOM 129 N VAL A 8 0.254 8.928 1.279 1.00 0.00 N ATOM 130 CA VAL A 8 -0.289 8.361 2.481 1.00 0.00 C ATOM 131 C VAL A 8 0.513 7.116 2.820 1.00 0.00 C ATOM 132 O VAL A 8 1.454 6.757 2.095 1.00 0.00 O ATOM 133 CB VAL A 8 -1.812 8.000 2.347 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.658 9.229 2.036 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.038 6.931 1.300 1.00 0.00 C ATOM 0 H VAL A 8 0.422 8.246 0.539 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.217 9.104 3.275 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.128 7.607 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.705 8.938 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.548 9.959 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.327 9.670 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.102 6.706 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.682 7.287 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.493 6.029 1.578 1.00 0.00 H new ATOM 145 N TYR A 9 0.172 6.477 3.887 1.00 0.00 N ATOM 146 CA TYR A 9 0.847 5.276 4.290 1.00 0.00 C ATOM 147 C TYR A 9 -0.159 4.181 4.467 1.00 0.00 C ATOM 148 O TYR A 9 -1.301 4.444 4.823 1.00 0.00 O ATOM 149 CB TYR A 9 1.620 5.479 5.597 1.00 0.00 C ATOM 150 CG TYR A 9 2.840 6.374 5.502 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.721 7.756 5.516 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.114 5.830 5.425 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.834 8.569 5.449 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.232 6.637 5.365 1.00 0.00 C ATOM 155 CZ TYR A 9 5.087 8.006 5.375 1.00 0.00 C ATOM 156 OH TYR A 9 6.202 8.818 5.325 1.00 0.00 O ATOM 0 H TYR A 9 -0.582 6.767 4.509 1.00 0.00 H new ATOM 0 HA TYR A 9 1.564 5.008 3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.941 5.898 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.935 4.504 5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.740 8.203 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.233 4.757 5.412 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.722 9.643 5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.217 6.196 5.310 1.00 0.00 H new ATOM 0 HH TYR A 9 7.009 8.264 5.276 1.00 0.00 H new ATOM 166 N ILE A 10 0.228 2.977 4.195 1.00 0.00 N ATOM 167 CA ILE A 10 -0.658 1.860 4.410 1.00 0.00 C ATOM 168 C ILE A 10 -0.364 1.259 5.767 1.00 0.00 C ATOM 169 O ILE A 10 0.805 0.973 6.094 1.00 0.00 O ATOM 170 CB ILE A 10 -0.546 0.772 3.297 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.843 1.367 1.910 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.462 -0.427 3.575 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.208 2.016 1.792 1.00 0.00 C ATOM 0 H ILE A 10 1.147 2.734 3.825 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.682 2.232 4.370 1.00 0.00 H new ATOM 0 HB ILE A 10 0.482 0.411 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.079 2.108 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.763 0.577 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.353 -1.161 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.187 -0.882 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.498 -0.091 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.338 2.410 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.982 1.275 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.287 2.830 2.513 1.00 0.00 H new ATOM 185 N ASP A 11 -1.404 1.099 6.557 1.00 0.00 N ATOM 186 CA ASP A 11 -1.290 0.541 7.882 1.00 0.00 C ATOM 187 C ASP A 11 -1.088 -0.945 7.795 1.00 0.00 C ATOM 188 O ASP A 11 -2.030 -1.718 7.579 1.00 0.00 O ATOM 189 CB ASP A 11 -2.497 0.898 8.779 1.00 0.00 C ATOM 190 CG ASP A 11 -2.435 0.256 10.167 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.722 0.778 11.055 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.113 -0.754 10.397 1.00 0.00 O ATOM 0 H ASP A 11 -2.356 1.354 6.294 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.417 0.988 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.550 1.981 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.415 0.583 8.282 1.00 0.00 H new ATOM 197 N LEU A 12 0.168 -1.317 7.825 1.00 0.00 N ATOM 198 CA LEU A 12 0.567 -2.702 7.845 1.00 0.00 C ATOM 199 C LEU A 12 0.450 -3.178 9.279 1.00 0.00 C ATOM 200 O LEU A 12 0.283 -4.365 9.555 1.00 0.00 O ATOM 201 CB LEU A 12 2.011 -2.826 7.361 1.00 0.00 C ATOM 202 CG LEU A 12 2.340 -2.148 6.019 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.804 -2.323 5.684 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.463 -2.683 4.894 1.00 0.00 C ATOM 0 H LEU A 12 0.949 -0.661 7.836 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.062 -3.304 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.665 -2.407 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.255 -3.885 7.278 1.00 0.00 H new ATOM 0 HG LEU A 12 2.130 -1.083 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.020 -1.838 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.413 -1.872 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.036 -3.385 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.722 -2.182 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.623 -3.756 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.415 -2.494 5.128 1.00 0.00 H new ATOM 216 N ASN A 13 0.616 -2.204 10.187 1.00 0.00 N ATOM 217 CA ASN A 13 0.402 -2.321 11.641 1.00 0.00 C ATOM 218 C ASN A 13 1.429 -3.236 12.333 1.00 0.00 C ATOM 219 O ASN A 13 1.454 -3.352 13.548 1.00 0.00 O ATOM 220 CB ASN A 13 -1.037 -2.771 11.923 1.00 0.00 C ATOM 221 CG ASN A 13 -1.557 -2.329 13.274 1.00 0.00 C ATOM 222 OD1 ASN A 13 -1.457 -3.045 14.278 1.00 0.00 O ATOM 223 ND2 ASN A 13 -2.126 -1.152 13.305 1.00 0.00 N ATOM 0 H ASN A 13 0.917 -1.268 9.916 1.00 0.00 H new ATOM 0 HA ASN A 13 0.556 -1.332 12.073 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.691 -2.377 11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.087 -3.858 11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.508 -0.793 14.180 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.188 -0.593 12.454 1.00 0.00 H new ATOM 230 N ASN A 14 2.313 -3.823 11.554 1.00 0.00 N ATOM 231 CA ASN A 14 3.357 -4.724 12.063 1.00 0.00 C ATOM 232 C ASN A 14 4.615 -3.953 12.458 1.00 0.00 C ATOM 233 O ASN A 14 5.683 -4.531 12.650 1.00 0.00 O ATOM 234 CB ASN A 14 3.711 -5.821 11.033 1.00 0.00 C ATOM 235 CG ASN A 14 4.094 -5.280 9.656 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.538 -4.145 9.510 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.960 -6.102 8.647 1.00 0.00 N ATOM 0 H ASN A 14 2.338 -3.696 10.542 1.00 0.00 H new ATOM 0 HA ASN A 14 2.953 -5.206 12.953 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.538 -6.416 11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.859 -6.492 10.924 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.228 -5.805 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.588 -7.040 8.799 1.00 0.00 H new ATOM 244 N GLY A 15 4.473 -2.660 12.593 1.00 0.00 N ATOM 245 CA GLY A 15 5.572 -1.826 12.995 1.00 0.00 C ATOM 246 C GLY A 15 6.186 -1.062 11.852 1.00 0.00 C ATOM 247 O GLY A 15 6.926 -0.117 12.076 1.00 0.00 O ATOM 0 H GLY A 15 3.599 -2.160 12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.227 -1.121 13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.338 -2.445 13.462 1.00 0.00 H new ATOM 251 N LYS A 16 5.877 -1.436 10.638 1.00 0.00 N ATOM 252 CA LYS A 16 6.407 -0.722 9.505 1.00 0.00 C ATOM 253 C LYS A 16 5.255 -0.263 8.641 1.00 0.00 C ATOM 254 O LYS A 16 4.153 -0.830 8.716 1.00 0.00 O ATOM 255 CB LYS A 16 7.417 -1.588 8.724 1.00 0.00 C ATOM 256 CG LYS A 16 6.823 -2.711 7.876 1.00 0.00 C ATOM 257 CD LYS A 16 7.887 -3.726 7.504 1.00 0.00 C ATOM 258 CE LYS A 16 8.167 -4.658 8.676 1.00 0.00 C ATOM 259 NZ LYS A 16 9.424 -5.405 8.507 1.00 0.00 N ATOM 0 H LYS A 16 5.268 -2.222 10.409 1.00 0.00 H new ATOM 0 HA LYS A 16 6.960 0.154 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.997 -0.935 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.115 -2.028 9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.021 -3.203 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.380 -2.294 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.559 -4.306 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.803 -3.212 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.213 -4.077 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.341 -5.361 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.314 -6.363 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.657 -5.467 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.190 -4.913 9.009 1.00 0.00 H new ATOM 273 N TYR A 17 5.472 0.769 7.879 1.00 0.00 N ATOM 274 CA TYR A 17 4.440 1.338 7.048 1.00 0.00 C ATOM 275 C TYR A 17 4.973 1.570 5.669 1.00 0.00 C ATOM 276 O TYR A 17 6.129 1.897 5.502 1.00 0.00 O ATOM 277 CB TYR A 17 3.905 2.654 7.650 1.00 0.00 C ATOM 278 CG TYR A 17 2.990 2.472 8.854 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.483 2.103 10.099 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.628 2.657 8.727 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.638 1.918 11.173 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.782 2.483 9.796 1.00 0.00 C ATOM 283 CZ TYR A 17 1.287 2.109 11.013 1.00 0.00 C ATOM 284 OH TYR A 17 0.434 1.912 12.071 1.00 0.00 O ATOM 0 H TYR A 17 6.372 1.245 7.813 1.00 0.00 H new ATOM 0 HA TYR A 17 3.609 0.635 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.751 3.275 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.363 3.199 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.545 1.959 10.228 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.219 2.944 7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.036 1.625 12.133 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.280 2.641 9.677 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.436 1.607 11.738 1.00 0.00 H new ATOM 294 N VAL A 18 4.156 1.372 4.691 1.00 0.00 N ATOM 295 CA VAL A 18 4.559 1.585 3.325 1.00 0.00 C ATOM 296 C VAL A 18 4.025 2.919 2.848 1.00 0.00 C ATOM 297 O VAL A 18 2.880 3.273 3.145 1.00 0.00 O ATOM 298 CB VAL A 18 4.110 0.409 2.395 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.637 0.157 2.516 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.481 0.662 0.943 1.00 0.00 C ATOM 0 H VAL A 18 3.192 1.059 4.805 1.00 0.00 H new ATOM 0 HA VAL A 18 5.648 1.607 3.278 1.00 0.00 H new ATOM 0 HB VAL A 18 4.645 -0.480 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.353 -0.665 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.396 -0.103 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.090 1.055 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.152 -0.178 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.996 1.575 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.562 0.771 0.857 1.00 0.00 H new ATOM 310 N LYS A 19 4.850 3.667 2.158 1.00 0.00 N ATOM 311 CA LYS A 19 4.455 4.970 1.702 1.00 0.00 C ATOM 312 C LYS A 19 3.945 4.856 0.285 1.00 0.00 C ATOM 313 O LYS A 19 4.696 4.491 -0.632 1.00 0.00 O ATOM 314 CB LYS A 19 5.629 5.938 1.785 1.00 0.00 C ATOM 315 CG LYS A 19 5.257 7.391 1.546 1.00 0.00 C ATOM 316 CD LYS A 19 6.469 8.283 1.703 1.00 0.00 C ATOM 317 CE LYS A 19 6.101 9.752 1.634 1.00 0.00 C ATOM 318 NZ LYS A 19 7.289 10.615 1.763 1.00 0.00 N ATOM 0 H LYS A 19 5.798 3.393 1.901 1.00 0.00 H new ATOM 0 HA LYS A 19 3.660 5.360 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.089 5.850 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.381 5.642 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.841 7.506 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.482 7.694 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.953 8.074 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.193 8.053 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.601 9.959 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.391 9.988 2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.000 11.613 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.751 10.435 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.955 10.407 0.992 1.00 0.00 H new ATOM 332 N VAL A 20 2.697 5.155 0.106 1.00 0.00 N ATOM 333 CA VAL A 20 2.064 4.997 -1.166 1.00 0.00 C ATOM 334 C VAL A 20 1.500 6.339 -1.640 1.00 0.00 C ATOM 335 O VAL A 20 1.133 7.206 -0.833 1.00 0.00 O ATOM 336 CB VAL A 20 0.944 3.901 -1.091 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.174 4.308 -0.159 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.402 3.525 -2.467 1.00 0.00 C ATOM 0 H VAL A 20 2.087 5.516 0.839 1.00 0.00 H new ATOM 0 HA VAL A 20 2.804 4.663 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 20 1.415 3.009 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.930 3.524 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.225 4.460 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.624 5.235 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.370 2.763 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.024 4.408 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.212 3.135 -3.083 1.00 0.00 H new ATOM 348 N ARG A 21 1.481 6.521 -2.922 1.00 0.00 N ATOM 349 CA ARG A 21 0.965 7.709 -3.517 1.00 0.00 C ATOM 350 C ARG A 21 -0.362 7.369 -4.177 1.00 0.00 C ATOM 351 O ARG A 21 -0.428 6.504 -5.068 1.00 0.00 O ATOM 352 CB ARG A 21 1.977 8.267 -4.532 1.00 0.00 C ATOM 353 CG ARG A 21 1.631 9.632 -5.112 1.00 0.00 C ATOM 354 CD ARG A 21 2.749 10.118 -6.031 1.00 0.00 C ATOM 355 NE ARG A 21 2.509 11.468 -6.577 1.00 0.00 N ATOM 356 CZ ARG A 21 3.486 12.342 -6.912 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.758 12.000 -6.786 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.176 13.547 -7.393 1.00 0.00 N ATOM 0 H ARG A 21 1.829 5.837 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 21 0.801 8.481 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.952 8.332 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.074 7.556 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.695 9.572 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.477 10.349 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.689 10.118 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.864 9.415 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 21 1.541 11.762 -6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.005 11.075 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.492 12.662 -7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.198 13.813 -7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.917 14.202 -7.644 1.00 0.00 H new ATOM 372 N ILE A 22 -1.406 7.989 -3.703 1.00 0.00 N ATOM 373 CA ILE A 22 -2.736 7.784 -4.229 1.00 0.00 C ATOM 374 C ILE A 22 -2.960 8.839 -5.261 1.00 0.00 C ATOM 375 O ILE A 22 -3.115 10.015 -4.909 1.00 0.00 O ATOM 376 CB ILE A 22 -3.833 7.953 -3.129 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.569 7.045 -1.913 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.246 7.731 -3.697 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.509 5.566 -2.217 1.00 0.00 C ATOM 0 H ILE A 22 -1.363 8.658 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.808 6.772 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.778 8.985 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.627 7.344 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.352 7.217 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.981 7.857 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.438 8.456 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.320 6.722 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.319 5.013 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.458 5.244 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.706 5.373 -2.929 1.00 0.00 H new ATOM 391 N LEU A 23 -2.919 8.471 -6.508 1.00 0.00 N ATOM 392 CA LEU A 23 -3.127 9.432 -7.551 1.00 0.00 C ATOM 393 C LEU A 23 -4.606 9.554 -7.772 1.00 0.00 C ATOM 394 O LEU A 23 -5.251 8.626 -8.300 1.00 0.00 O ATOM 395 CB LEU A 23 -2.463 8.989 -8.852 1.00 0.00 C ATOM 396 CG LEU A 23 -0.986 8.594 -8.773 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.500 8.073 -10.113 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.152 9.776 -8.342 1.00 0.00 C ATOM 0 H LEU A 23 -2.744 7.518 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.687 10.385 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.021 8.140 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.560 9.798 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.881 7.800 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.552 7.798 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.085 7.198 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.618 8.849 -10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.896 9.482 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.266 10.585 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.483 10.116 -7.361 1.00 0.00 H new ATOM 410 N LYS A 24 -5.154 10.664 -7.396 1.00 0.00 N ATOM 411 CA LYS A 24 -6.552 10.864 -7.545 1.00 0.00 C ATOM 412 C LYS A 24 -6.704 11.367 -8.957 1.00 0.00 C ATOM 413 O LYS A 24 -6.373 12.518 -9.273 1.00 0.00 O ATOM 414 CB LYS A 24 -7.030 11.883 -6.504 1.00 0.00 C ATOM 415 CG LYS A 24 -8.531 11.924 -6.260 1.00 0.00 C ATOM 416 CD LYS A 24 -9.066 10.591 -5.737 1.00 0.00 C ATOM 417 CE LYS A 24 -10.523 10.714 -5.304 1.00 0.00 C ATOM 418 NZ LYS A 24 -11.077 9.439 -4.785 1.00 0.00 N ATOM 0 H LYS A 24 -4.649 11.447 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.150 9.967 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.533 11.669 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.704 12.875 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.760 12.712 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.042 12.180 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.977 9.831 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.460 10.258 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.605 11.481 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.122 11.047 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.843 9.642 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.450 8.875 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.326 8.905 -4.303 1.00 0.00 H new ATOM 432 N SER A 25 -7.184 10.517 -9.804 1.00 0.00 N ATOM 433 CA SER A 25 -7.103 10.777 -11.189 1.00 0.00 C ATOM 434 C SER A 25 -8.414 11.186 -11.816 1.00 0.00 C ATOM 435 O SER A 25 -9.145 10.352 -12.385 1.00 0.00 O ATOM 436 CB SER A 25 -6.497 9.572 -11.888 1.00 0.00 C ATOM 437 OG SER A 25 -5.293 9.185 -11.233 1.00 0.00 O ATOM 0 H SER A 25 -7.636 9.637 -9.553 1.00 0.00 H new ATOM 0 HA SER A 25 -6.456 11.645 -11.319 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.206 8.744 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.293 9.811 -12.932 1.00 0.00 H new ATOM 0 HG SER A 25 -5.497 8.893 -10.320 1.00 0.00 H new ATOM 443 N ARG A 26 -8.721 12.466 -11.695 1.00 0.00 N ATOM 444 CA ARG A 26 -9.850 13.060 -12.391 1.00 0.00 C ATOM 445 C ARG A 26 -9.428 13.124 -13.842 1.00 0.00 C ATOM 446 O ARG A 26 -10.213 12.899 -14.756 1.00 0.00 O ATOM 447 CB ARG A 26 -10.087 14.494 -11.912 1.00 0.00 C ATOM 448 CG ARG A 26 -10.153 14.682 -10.411 1.00 0.00 C ATOM 449 CD ARG A 26 -10.277 16.155 -10.082 1.00 0.00 C ATOM 450 NE ARG A 26 -10.071 16.443 -8.660 1.00 0.00 N ATOM 451 CZ ARG A 26 -9.638 17.626 -8.183 1.00 0.00 C ATOM 452 NH1 ARG A 26 -9.516 18.679 -9.003 1.00 0.00 N ATOM 453 NH2 ARG A 26 -9.381 17.763 -6.883 1.00 0.00 N ATOM 0 H ARG A 26 -8.197 13.121 -11.114 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.760 12.484 -12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.289 15.125 -12.304 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.020 14.853 -12.346 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.005 14.137 -10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.258 14.270 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.550 16.715 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.265 16.506 -10.379 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.268 15.701 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.751 18.586 -9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.188 19.574 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.512 16.973 -6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.053 18.658 -6.520 1.00 0.00 H new ATOM 467 N ASP A 27 -8.120 13.397 -13.998 1.00 0.00 N ATOM 468 CA ASP A 27 -7.420 13.491 -15.282 1.00 0.00 C ATOM 469 C ASP A 27 -7.632 12.256 -16.108 1.00 0.00 C ATOM 470 O ASP A 27 -7.820 12.337 -17.325 1.00 0.00 O ATOM 471 CB ASP A 27 -5.902 13.659 -15.077 1.00 0.00 C ATOM 472 CG ASP A 27 -5.494 14.926 -14.374 1.00 0.00 C ATOM 473 OD1 ASP A 27 -5.245 15.946 -15.060 1.00 0.00 O ATOM 474 OD2 ASP A 27 -5.375 14.921 -13.125 1.00 0.00 O ATOM 0 H ASP A 27 -7.504 13.563 -13.202 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.830 14.361 -15.795 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.531 12.808 -14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.413 13.627 -16.051 1.00 0.00 H new ATOM 479 N ASP A 28 -7.570 11.109 -15.461 1.00 0.00 N ATOM 480 CA ASP A 28 -7.756 9.862 -16.168 1.00 0.00 C ATOM 481 C ASP A 28 -9.236 9.650 -16.381 1.00 0.00 C ATOM 482 O ASP A 28 -9.697 9.664 -17.521 1.00 0.00 O ATOM 483 CB ASP A 28 -7.185 8.702 -15.360 1.00 0.00 C ATOM 484 CG ASP A 28 -7.061 7.433 -16.160 1.00 0.00 C ATOM 485 OD1 ASP A 28 -8.071 6.782 -16.447 1.00 0.00 O ATOM 486 OD2 ASP A 28 -5.920 7.061 -16.503 1.00 0.00 O ATOM 0 H ASP A 28 -7.395 11.016 -14.460 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.236 9.904 -17.125 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.203 8.981 -14.978 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.824 8.519 -14.496 1.00 0.00 H new ATOM 491 N ASN A 29 -9.972 9.538 -15.255 1.00 0.00 N ATOM 492 CA ASN A 29 -11.444 9.421 -15.224 1.00 0.00 C ATOM 493 C ASN A 29 -11.923 8.913 -13.863 1.00 0.00 C ATOM 494 O ASN A 29 -12.186 7.723 -13.704 1.00 0.00 O ATOM 495 CB ASN A 29 -12.046 8.506 -16.314 1.00 0.00 C ATOM 496 CG ASN A 29 -13.568 8.528 -16.305 1.00 0.00 C ATOM 497 OD1 ASN A 29 -14.195 9.554 -15.996 1.00 0.00 O ATOM 498 ND2 ASN A 29 -14.172 7.414 -16.611 1.00 0.00 N ATOM 0 H ASN A 29 -9.552 9.526 -14.326 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.796 10.434 -15.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.685 8.823 -17.292 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.698 7.484 -16.162 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.191 7.367 -16.601 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.626 6.589 -16.860 1.00 0.00 H new ATOM 505 N SER A 30 -11.923 9.798 -12.881 1.00 0.00 N ATOM 506 CA SER A 30 -12.480 9.554 -11.529 1.00 0.00 C ATOM 507 C SER A 30 -11.963 8.259 -10.820 1.00 0.00 C ATOM 508 O SER A 30 -12.663 7.675 -9.993 1.00 0.00 O ATOM 509 CB SER A 30 -14.008 9.559 -11.634 1.00 0.00 C ATOM 510 OG SER A 30 -14.465 10.777 -12.236 1.00 0.00 O ATOM 0 H SER A 30 -11.530 10.733 -12.988 1.00 0.00 H new ATOM 0 HA SER A 30 -12.125 10.359 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.341 8.706 -12.226 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.447 9.449 -10.642 1.00 0.00 H new ATOM 0 HG SER A 30 -15.443 10.765 -12.298 1.00 0.00 H new ATOM 516 N VAL A 31 -10.735 7.878 -11.085 1.00 0.00 N ATOM 517 CA VAL A 31 -10.161 6.646 -10.500 1.00 0.00 C ATOM 518 C VAL A 31 -8.970 6.968 -9.595 1.00 0.00 C ATOM 519 O VAL A 31 -8.220 7.908 -9.863 1.00 0.00 O ATOM 520 CB VAL A 31 -9.734 5.617 -11.615 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.050 4.382 -11.033 1.00 0.00 C ATOM 522 CG2 VAL A 31 -10.940 5.185 -12.415 1.00 0.00 C ATOM 0 H VAL A 31 -10.100 8.389 -11.698 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.942 6.185 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.017 6.127 -12.259 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.775 3.704 -11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.153 4.684 -10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.733 3.876 -10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.632 4.474 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.666 4.713 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.394 6.056 -12.888 1.00 0.00 H new ATOM 532 N GLU A 32 -8.824 6.220 -8.515 1.00 0.00 N ATOM 533 CA GLU A 32 -7.688 6.366 -7.633 1.00 0.00 C ATOM 534 C GLU A 32 -6.621 5.400 -8.091 1.00 0.00 C ATOM 535 O GLU A 32 -6.779 4.178 -7.951 1.00 0.00 O ATOM 536 CB GLU A 32 -8.046 6.029 -6.184 1.00 0.00 C ATOM 537 CG GLU A 32 -9.246 6.759 -5.647 1.00 0.00 C ATOM 538 CD GLU A 32 -9.494 6.482 -4.182 1.00 0.00 C ATOM 539 OE1 GLU A 32 -9.532 5.289 -3.775 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.697 7.462 -3.417 1.00 0.00 O ATOM 0 H GLU A 32 -9.487 5.500 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.350 7.402 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.226 4.957 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.188 6.253 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.108 7.831 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.127 6.471 -6.221 1.00 0.00 H new ATOM 547 N LYS A 33 -5.573 5.903 -8.661 1.00 0.00 N ATOM 548 CA LYS A 33 -4.510 5.047 -9.084 1.00 0.00 C ATOM 549 C LYS A 33 -3.612 4.812 -7.913 1.00 0.00 C ATOM 550 O LYS A 33 -3.010 5.754 -7.372 1.00 0.00 O ATOM 551 CB LYS A 33 -3.679 5.632 -10.223 1.00 0.00 C ATOM 552 CG LYS A 33 -4.423 5.970 -11.499 1.00 0.00 C ATOM 553 CD LYS A 33 -3.461 6.617 -12.491 1.00 0.00 C ATOM 554 CE LYS A 33 -4.126 6.953 -13.808 1.00 0.00 C ATOM 555 NZ LYS A 33 -4.542 5.749 -14.564 1.00 0.00 N ATOM 0 H LYS A 33 -5.430 6.896 -8.844 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.958 4.126 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.194 6.538 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.888 4.923 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.855 5.067 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.249 6.647 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.050 7.526 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.623 5.943 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.999 7.578 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.439 7.540 -14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.898 6.032 -15.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.727 5.114 -14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.294 5.254 -14.043 1.00 0.00 H new ATOM 569 N TYR A 34 -3.563 3.603 -7.485 1.00 0.00 N ATOM 570 CA TYR A 34 -2.683 3.233 -6.442 1.00 0.00 C ATOM 571 C TYR A 34 -1.370 2.979 -7.111 1.00 0.00 C ATOM 572 O TYR A 34 -1.303 2.149 -8.038 1.00 0.00 O ATOM 573 CB TYR A 34 -3.207 1.988 -5.711 1.00 0.00 C ATOM 574 CG TYR A 34 -4.622 2.168 -5.184 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.893 3.105 -4.202 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.686 1.433 -5.696 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.175 3.309 -3.728 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.976 1.632 -5.232 1.00 0.00 C ATOM 579 CZ TYR A 34 -7.214 2.572 -4.248 1.00 0.00 C ATOM 580 OH TYR A 34 -8.498 2.769 -3.784 1.00 0.00 O ATOM 0 H TYR A 34 -4.134 2.841 -7.850 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.591 4.006 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.182 1.136 -6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.542 1.753 -4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.082 3.692 -3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.504 0.697 -6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.360 4.041 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.793 1.054 -5.638 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.719 3.723 -3.828 1.00 0.00 H new ATOM 590 N VAL A 35 -0.350 3.711 -6.700 1.00 0.00 N ATOM 591 CA VAL A 35 0.931 3.643 -7.357 1.00 0.00 C ATOM 592 C VAL A 35 1.553 2.252 -7.184 1.00 0.00 C ATOM 593 O VAL A 35 1.332 1.566 -6.186 1.00 0.00 O ATOM 594 CB VAL A 35 1.893 4.764 -6.849 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.309 4.538 -5.414 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.102 4.941 -7.760 1.00 0.00 C ATOM 0 H VAL A 35 -0.390 4.358 -5.913 1.00 0.00 H new ATOM 0 HA VAL A 35 0.773 3.813 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 35 1.331 5.697 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.978 5.339 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.425 4.530 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.825 3.581 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.742 5.731 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.664 4.008 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.767 5.211 -8.761 1.00 0.00 H new ATOM 606 N LEU A 36 2.307 1.860 -8.171 1.00 0.00 N ATOM 607 CA LEU A 36 2.875 0.544 -8.276 1.00 0.00 C ATOM 608 C LEU A 36 4.039 0.288 -7.326 1.00 0.00 C ATOM 609 O LEU A 36 4.543 -0.840 -7.261 1.00 0.00 O ATOM 610 CB LEU A 36 3.280 0.238 -9.722 1.00 0.00 C ATOM 611 CG LEU A 36 2.149 0.055 -10.765 1.00 0.00 C ATOM 612 CD1 LEU A 36 1.135 -0.971 -10.313 1.00 0.00 C ATOM 613 CD2 LEU A 36 1.473 1.369 -11.144 1.00 0.00 C ATOM 0 H LEU A 36 2.552 2.468 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 36 2.085 -0.140 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.926 1.045 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.881 -0.671 -9.716 1.00 0.00 H new ATOM 0 HG LEU A 36 2.629 -0.321 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.357 -1.072 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.629 -1.932 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.687 -0.650 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.690 1.177 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.034 1.822 -10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.211 2.048 -11.571 1.00 0.00 H new ATOM 625 N THR A 37 4.461 1.283 -6.591 1.00 0.00 N ATOM 626 CA THR A 37 5.585 1.079 -5.735 1.00 0.00 C ATOM 627 C THR A 37 5.102 0.605 -4.366 1.00 0.00 C ATOM 628 O THR A 37 4.010 0.961 -3.908 1.00 0.00 O ATOM 629 CB THR A 37 6.464 2.369 -5.606 1.00 0.00 C ATOM 630 OG1 THR A 37 7.652 2.100 -4.859 1.00 0.00 O ATOM 631 CG2 THR A 37 5.716 3.520 -4.940 1.00 0.00 C ATOM 0 H THR A 37 4.052 2.217 -6.570 1.00 0.00 H new ATOM 0 HA THR A 37 6.219 0.312 -6.178 1.00 0.00 H new ATOM 0 HB THR A 37 6.719 2.668 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.188 2.918 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.370 4.390 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.835 3.772 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.408 3.222 -3.938 1.00 0.00 H new ATOM 639 N SER A 38 5.917 -0.188 -3.739 1.00 0.00 N ATOM 640 CA SER A 38 5.613 -0.780 -2.484 1.00 0.00 C ATOM 641 C SER A 38 6.751 -0.538 -1.485 1.00 0.00 C ATOM 642 O SER A 38 6.912 -1.272 -0.508 1.00 0.00 O ATOM 643 CB SER A 38 5.384 -2.259 -2.745 1.00 0.00 C ATOM 644 OG SER A 38 6.331 -2.741 -3.700 1.00 0.00 O ATOM 0 H SER A 38 6.835 -0.444 -4.101 1.00 0.00 H new ATOM 0 HA SER A 38 4.722 -0.339 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.477 -2.819 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.371 -2.419 -3.113 1.00 0.00 H new ATOM 0 HG SER A 38 7.163 -2.982 -3.242 1.00 0.00 H new ATOM 650 N HIS A 39 7.515 0.525 -1.723 1.00 0.00 N ATOM 651 CA HIS A 39 8.640 0.866 -0.855 1.00 0.00 C ATOM 652 C HIS A 39 8.202 1.257 0.545 1.00 0.00 C ATOM 653 O HIS A 39 7.423 2.215 0.741 1.00 0.00 O ATOM 654 CB HIS A 39 9.555 1.920 -1.473 1.00 0.00 C ATOM 655 CG HIS A 39 10.492 1.368 -2.500 1.00 0.00 C ATOM 656 ND1 HIS A 39 10.273 0.899 -3.748 1.00 0.00 N flip ATOM 657 CD2 HIS A 39 11.841 1.244 -2.286 1.00 0.00 C flip ATOM 658 CE1 HIS A 39 11.481 0.508 -4.252 1.00 0.00 C flip ATOM 659 NE2 HIS A 39 12.405 0.731 -3.351 1.00 0.00 N flip ATOM 0 H HIS A 39 7.377 1.163 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 39 9.227 -0.047 -0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.943 2.697 -1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.135 2.395 -0.682 1.00 0.00 H new ATOM 0 HD1 HIS A 39 9.373 0.847 -4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 39 12.358 1.526 -1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.647 0.085 -5.232 1.00 0.00 H new ATOM 668 N VAL A 40 8.714 0.520 1.506 1.00 0.00 N ATOM 669 CA VAL A 40 8.348 0.685 2.886 1.00 0.00 C ATOM 670 C VAL A 40 9.188 1.715 3.588 1.00 0.00 C ATOM 671 O VAL A 40 10.335 1.984 3.205 1.00 0.00 O ATOM 672 CB VAL A 40 8.411 -0.647 3.685 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.376 -1.618 3.180 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.804 -1.278 3.618 1.00 0.00 C ATOM 0 H VAL A 40 9.402 -0.216 1.345 1.00 0.00 H new ATOM 0 HA VAL A 40 7.315 1.031 2.861 1.00 0.00 H new ATOM 0 HB VAL A 40 8.198 -0.413 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.436 -2.544 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.383 -1.184 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.559 -1.830 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.810 -2.207 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.059 -1.488 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.536 -0.589 4.039 1.00 0.00 H new ATOM 684 N SER A 41 8.617 2.289 4.583 1.00 0.00 N ATOM 685 CA SER A 41 9.274 3.188 5.444 1.00 0.00 C ATOM 686 C SER A 41 9.459 2.455 6.769 1.00 0.00 C ATOM 687 O SER A 41 8.485 1.965 7.362 1.00 0.00 O ATOM 688 CB SER A 41 8.403 4.427 5.635 1.00 0.00 C ATOM 689 OG SER A 41 8.038 4.985 4.379 1.00 0.00 O ATOM 0 H SER A 41 7.638 2.135 4.825 1.00 0.00 H new ATOM 0 HA SER A 41 10.235 3.511 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.506 4.164 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.942 5.169 6.225 1.00 0.00 H new ATOM 0 HG SER A 41 8.076 5.963 4.432 1.00 0.00 H new ATOM 695 N LYS A 42 10.692 2.351 7.222 1.00 0.00 N ATOM 696 CA LYS A 42 11.008 1.649 8.472 1.00 0.00 C ATOM 697 C LYS A 42 10.670 2.486 9.702 1.00 0.00 C ATOM 698 O LYS A 42 11.064 2.151 10.820 1.00 0.00 O ATOM 699 CB LYS A 42 12.489 1.240 8.517 1.00 0.00 C ATOM 700 CG LYS A 42 13.498 2.362 8.335 1.00 0.00 C ATOM 701 CD LYS A 42 14.911 1.829 8.531 1.00 0.00 C ATOM 702 CE LYS A 42 15.963 2.914 8.385 1.00 0.00 C ATOM 703 NZ LYS A 42 16.018 3.473 7.016 1.00 0.00 N ATOM 0 H LYS A 42 11.505 2.743 6.746 1.00 0.00 H new ATOM 0 HA LYS A 42 10.388 0.753 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.683 0.756 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.663 0.493 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.398 2.794 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.299 3.160 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.993 1.378 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.103 1.040 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.753 3.716 9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.939 2.506 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.827 4.122 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.127 2.700 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.139 3.991 6.817 1.00 0.00 H new ATOM 717 N ASN A 43 9.910 3.521 9.500 1.00 0.00 N ATOM 718 CA ASN A 43 9.556 4.444 10.539 1.00 0.00 C ATOM 719 C ASN A 43 8.069 4.604 10.515 1.00 0.00 C ATOM 720 O ASN A 43 7.466 4.635 9.434 1.00 0.00 O ATOM 721 CB ASN A 43 10.227 5.801 10.293 1.00 0.00 C ATOM 722 CG ASN A 43 11.741 5.724 10.290 1.00 0.00 C ATOM 723 OD1 ASN A 43 12.353 4.960 11.031 1.00 0.00 O ATOM 724 ND2 ASN A 43 12.360 6.471 9.432 1.00 0.00 N ATOM 0 H ASN A 43 9.510 3.753 8.591 1.00 0.00 H new ATOM 0 HA ASN A 43 9.889 4.070 11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.888 6.199 9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.906 6.503 11.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.377 6.432 9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.831 7.098 8.826 1.00 0.00 H new ATOM 731 N ARG A 44 7.469 4.667 11.669 1.00 0.00 N ATOM 732 CA ARG A 44 6.044 4.822 11.763 1.00 0.00 C ATOM 733 C ARG A 44 5.680 6.295 11.686 1.00 0.00 C ATOM 734 O ARG A 44 6.187 7.108 12.476 1.00 0.00 O ATOM 735 CB ARG A 44 5.490 4.200 13.049 1.00 0.00 C ATOM 736 CG ARG A 44 5.748 2.710 13.175 1.00 0.00 C ATOM 737 CD ARG A 44 4.993 2.107 14.348 1.00 0.00 C ATOM 738 NE ARG A 44 5.370 2.703 15.635 1.00 0.00 N ATOM 739 CZ ARG A 44 4.598 2.698 16.735 1.00 0.00 C ATOM 740 NH1 ARG A 44 3.375 2.157 16.700 1.00 0.00 N ATOM 741 NH2 ARG A 44 5.050 3.243 17.860 1.00 0.00 N ATOM 0 H ARG A 44 7.950 4.613 12.567 1.00 0.00 H new ATOM 0 HA ARG A 44 5.591 4.294 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.932 4.709 13.906 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.415 4.377 13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.449 2.210 12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.816 2.535 13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.922 2.239 14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.180 1.034 14.381 1.00 0.00 H new ATOM 0 HE ARG A 44 6.283 3.153 15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.024 1.745 15.835 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.794 2.156 17.538 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.979 3.663 17.886 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.468 3.242 18.697 1.00 0.00 H new ATOM 755 N PRO A 45 4.842 6.673 10.716 1.00 0.00 N ATOM 756 CA PRO A 45 4.422 8.048 10.540 1.00 0.00 C ATOM 757 C PRO A 45 3.496 8.490 11.653 1.00 0.00 C ATOM 758 O PRO A 45 2.620 7.733 12.090 1.00 0.00 O ATOM 759 CB PRO A 45 3.669 8.047 9.212 1.00 0.00 C ATOM 760 CG PRO A 45 3.233 6.642 9.016 1.00 0.00 C ATOM 761 CD PRO A 45 4.239 5.780 9.716 1.00 0.00 C ATOM 0 HA PRO A 45 5.270 8.733 10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.815 8.724 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.310 8.379 8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.236 6.485 9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.183 6.396 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.767 4.917 10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.987 5.396 9.022 1.00 0.00 H new ATOM 769 N LYS A 46 3.684 9.691 12.107 1.00 0.00 N ATOM 770 CA LYS A 46 2.850 10.216 13.149 1.00 0.00 C ATOM 771 C LYS A 46 1.609 10.843 12.539 1.00 0.00 C ATOM 772 O LYS A 46 0.504 10.286 12.633 1.00 0.00 O ATOM 773 CB LYS A 46 3.610 11.240 13.998 1.00 0.00 C ATOM 774 CG LYS A 46 2.806 11.796 15.178 1.00 0.00 C ATOM 775 CD LYS A 46 2.438 10.713 16.194 1.00 0.00 C ATOM 776 CE LYS A 46 3.675 10.084 16.830 1.00 0.00 C ATOM 777 NZ LYS A 46 4.501 11.080 17.549 1.00 0.00 N ATOM 0 H LYS A 46 4.407 10.328 11.774 1.00 0.00 H new ATOM 0 HA LYS A 46 2.552 9.398 13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.520 10.776 14.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.918 12.068 13.360 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.385 12.574 15.674 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.896 12.265 14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.809 11.145 16.973 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.849 9.939 15.702 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.367 9.301 17.523 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.276 9.606 16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.210 10.589 18.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.982 11.694 16.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.892 11.658 18.162 1.00 0.00 H new ATOM 791 N ASN A 47 1.793 11.959 11.868 1.00 0.00 N ATOM 792 CA ASN A 47 0.686 12.651 11.270 1.00 0.00 C ATOM 793 C ASN A 47 0.722 12.495 9.779 1.00 0.00 C ATOM 794 O ASN A 47 1.386 13.252 9.054 1.00 0.00 O ATOM 795 CB ASN A 47 0.631 14.126 11.673 1.00 0.00 C ATOM 796 CG ASN A 47 -0.643 14.816 11.195 1.00 0.00 C ATOM 797 OD1 ASN A 47 -0.701 15.412 10.106 1.00 0.00 O ATOM 798 ND2 ASN A 47 -1.679 14.714 11.982 1.00 0.00 N ATOM 0 H ASN A 47 2.701 12.402 11.726 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.229 12.195 11.649 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.698 14.205 12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.497 14.644 11.261 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.569 15.130 11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.598 14.218 12.870 1.00 0.00 H new ATOM 805 N ALA A 48 0.087 11.464 9.347 1.00 0.00 N ATOM 806 CA ALA A 48 -0.052 11.123 7.974 1.00 0.00 C ATOM 807 C ALA A 48 -1.240 10.229 7.903 1.00 0.00 C ATOM 808 O ALA A 48 -1.603 9.615 8.927 1.00 0.00 O ATOM 809 CB ALA A 48 1.187 10.401 7.462 1.00 0.00 C ATOM 0 H ALA A 48 -0.373 10.802 9.972 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.173 12.012 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.054 10.152 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.057 11.047 7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.338 9.486 8.035 1.00 0.00 H new ATOM 815 N ILE A 49 -1.864 10.147 6.776 1.00 0.00 N ATOM 816 CA ILE A 49 -3.031 9.327 6.668 1.00 0.00 C ATOM 817 C ILE A 49 -2.620 7.903 6.408 1.00 0.00 C ATOM 818 O ILE A 49 -1.900 7.612 5.450 1.00 0.00 O ATOM 819 CB ILE A 49 -4.014 9.822 5.575 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.417 11.285 5.836 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.255 8.928 5.505 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.033 11.534 7.200 1.00 0.00 C ATOM 0 H ILE A 49 -1.591 10.632 5.921 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.568 9.391 7.614 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.505 9.767 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.535 11.916 5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.126 11.596 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.927 9.298 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.955 7.907 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.768 8.941 6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.286 12.590 7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.936 10.933 7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.320 11.259 7.977 1.00 0.00 H new ATOM 834 N VAL A 50 -3.011 7.043 7.293 1.00 0.00 N ATOM 835 CA VAL A 50 -2.735 5.656 7.155 1.00 0.00 C ATOM 836 C VAL A 50 -4.002 4.939 6.733 1.00 0.00 C ATOM 837 O VAL A 50 -5.056 5.122 7.333 1.00 0.00 O ATOM 838 CB VAL A 50 -2.121 5.020 8.456 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.781 5.662 8.784 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.058 5.140 9.655 1.00 0.00 C ATOM 0 H VAL A 50 -3.533 7.288 8.134 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.972 5.538 6.385 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.976 3.959 8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.372 5.209 9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.090 5.506 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.919 6.731 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.590 4.687 10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.259 6.192 9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.995 4.627 9.438 1.00 0.00 H new ATOM 850 N ILE A 51 -3.920 4.215 5.667 1.00 0.00 N ATOM 851 CA ILE A 51 -5.032 3.442 5.176 1.00 0.00 C ATOM 852 C ILE A 51 -4.684 1.991 5.417 1.00 0.00 C ATOM 853 O ILE A 51 -3.619 1.556 5.030 1.00 0.00 O ATOM 854 CB ILE A 51 -5.264 3.681 3.658 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.419 5.185 3.361 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.503 2.925 3.197 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.595 5.517 1.886 1.00 0.00 C ATOM 0 H ILE A 51 -3.075 4.137 5.101 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.949 3.732 5.688 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.396 3.311 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.279 5.566 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.541 5.710 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.659 3.097 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.366 1.859 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.372 3.277 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.697 6.596 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.725 5.170 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.490 5.023 1.506 1.00 0.00 H new ATOM 869 N LYS A 52 -5.536 1.259 6.070 1.00 0.00 N ATOM 870 CA LYS A 52 -5.213 -0.108 6.430 1.00 0.00 C ATOM 871 C LYS A 52 -5.451 -1.032 5.239 1.00 0.00 C ATOM 872 O LYS A 52 -6.272 -0.715 4.369 1.00 0.00 O ATOM 873 CB LYS A 52 -6.058 -0.536 7.627 1.00 0.00 C ATOM 874 CG LYS A 52 -5.529 -1.742 8.365 1.00 0.00 C ATOM 875 CD LYS A 52 -6.465 -2.147 9.478 1.00 0.00 C ATOM 876 CE LYS A 52 -5.836 -3.205 10.361 1.00 0.00 C ATOM 877 NZ LYS A 52 -4.735 -2.656 11.186 1.00 0.00 N ATOM 0 H LYS A 52 -6.459 1.575 6.368 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.160 -0.172 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.128 0.299 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.070 -0.750 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.404 -2.572 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.544 -1.519 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.721 -1.274 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.395 -2.527 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.598 -3.634 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.454 -4.016 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.151 -3.436 11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.147 -2.026 10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.133 -2.120 11.984 1.00 0.00 H new ATOM 891 N MET A 53 -4.742 -2.192 5.219 1.00 0.00 N ATOM 892 CA MET A 53 -4.827 -3.201 4.118 1.00 0.00 C ATOM 893 C MET A 53 -6.269 -3.529 3.752 1.00 0.00 C ATOM 894 O MET A 53 -6.580 -3.758 2.591 1.00 0.00 O ATOM 895 CB MET A 53 -4.124 -4.526 4.481 1.00 0.00 C ATOM 896 CG MET A 53 -2.600 -4.498 4.568 1.00 0.00 C ATOM 897 SD MET A 53 -1.932 -6.163 4.876 1.00 0.00 S ATOM 898 CE MET A 53 -0.158 -5.885 4.822 1.00 0.00 C ATOM 0 H MET A 53 -4.096 -2.458 5.962 1.00 0.00 H new ATOM 0 HA MET A 53 -4.323 -2.738 3.270 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.512 -4.864 5.442 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.408 -5.274 3.741 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.187 -4.103 3.640 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.290 -3.825 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.360 -6.844 4.800 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.094 -5.315 3.927 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.150 -5.327 5.706 1.00 0.00 H new ATOM 908 N ASP A 54 -7.126 -3.513 4.754 1.00 0.00 N ATOM 909 CA ASP A 54 -8.560 -3.821 4.633 1.00 0.00 C ATOM 910 C ASP A 54 -9.250 -3.014 3.519 1.00 0.00 C ATOM 911 O ASP A 54 -10.159 -3.510 2.857 1.00 0.00 O ATOM 912 CB ASP A 54 -9.249 -3.541 5.977 1.00 0.00 C ATOM 913 CG ASP A 54 -10.736 -3.840 5.977 1.00 0.00 C ATOM 914 OD1 ASP A 54 -11.115 -5.009 6.156 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.557 -2.897 5.826 1.00 0.00 O ATOM 0 H ASP A 54 -6.848 -3.280 5.707 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.649 -4.874 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.768 -4.137 6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.098 -2.494 6.241 1.00 0.00 H new ATOM 920 N ASN A 55 -8.782 -1.804 3.283 1.00 0.00 N ATOM 921 CA ASN A 55 -9.406 -0.905 2.304 1.00 0.00 C ATOM 922 C ASN A 55 -8.779 -1.042 0.899 1.00 0.00 C ATOM 923 O ASN A 55 -9.319 -0.539 -0.095 1.00 0.00 O ATOM 924 CB ASN A 55 -9.308 0.552 2.810 1.00 0.00 C ATOM 925 CG ASN A 55 -9.954 1.585 1.888 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.151 1.851 1.984 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.167 2.204 1.027 1.00 0.00 N ATOM 0 H ASN A 55 -7.967 -1.410 3.754 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.454 -1.188 2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.777 0.615 3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.257 0.808 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.548 2.927 0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.178 1.959 0.973 1.00 0.00 H new ATOM 934 N LEU A 56 -7.681 -1.744 0.805 1.00 0.00 N ATOM 935 CA LEU A 56 -6.973 -1.844 -0.460 1.00 0.00 C ATOM 936 C LEU A 56 -7.388 -3.078 -1.245 1.00 0.00 C ATOM 937 O LEU A 56 -7.631 -4.136 -0.658 1.00 0.00 O ATOM 938 CB LEU A 56 -5.434 -1.803 -0.284 1.00 0.00 C ATOM 939 CG LEU A 56 -4.796 -0.448 0.094 1.00 0.00 C ATOM 940 CD1 LEU A 56 -5.146 0.639 -0.917 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.176 -0.020 1.495 1.00 0.00 C ATOM 0 H LEU A 56 -7.254 -2.254 1.578 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.259 -0.963 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.164 -2.528 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.980 -2.141 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.716 -0.591 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.680 1.578 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.781 0.350 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.228 0.767 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.707 0.937 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.259 0.081 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.836 -0.770 2.209 1.00 0.00 H new ATOM 953 N PRO A 57 -7.515 -2.946 -2.586 1.00 0.00 N ATOM 954 CA PRO A 57 -7.844 -4.070 -3.472 1.00 0.00 C ATOM 955 C PRO A 57 -6.782 -5.181 -3.402 1.00 0.00 C ATOM 956 O PRO A 57 -5.609 -4.926 -3.026 1.00 0.00 O ATOM 957 CB PRO A 57 -7.850 -3.435 -4.870 1.00 0.00 C ATOM 958 CG PRO A 57 -8.054 -1.989 -4.635 1.00 0.00 C ATOM 959 CD PRO A 57 -7.380 -1.687 -3.339 1.00 0.00 C ATOM 0 HA PRO A 57 -8.788 -4.543 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.911 -3.621 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.646 -3.850 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.627 -1.397 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.116 -1.747 -4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.334 -1.415 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.858 -0.855 -2.821 1.00 0.00 H new ATOM 967 N ILE A 58 -7.172 -6.394 -3.777 1.00 0.00 N ATOM 968 CA ILE A 58 -6.291 -7.551 -3.695 1.00 0.00 C ATOM 969 C ILE A 58 -5.002 -7.407 -4.500 1.00 0.00 C ATOM 970 O ILE A 58 -3.962 -7.868 -4.068 1.00 0.00 O ATOM 971 CB ILE A 58 -7.012 -8.931 -3.952 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.787 -9.008 -5.297 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.935 -9.273 -2.804 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.930 -9.193 -6.537 1.00 0.00 C ATOM 0 H ILE A 58 -8.101 -6.602 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.986 -7.571 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.211 -9.667 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.496 -9.834 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.370 -8.094 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.422 -10.228 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.358 -9.343 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.691 -8.495 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.570 -9.234 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.238 -8.356 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.366 -10.122 -6.454 1.00 0.00 H new ATOM 986 N GLU A 59 -5.061 -6.718 -5.628 1.00 0.00 N ATOM 987 CA GLU A 59 -3.886 -6.539 -6.456 1.00 0.00 C ATOM 988 C GLU A 59 -2.869 -5.613 -5.779 1.00 0.00 C ATOM 989 O GLU A 59 -1.651 -5.772 -5.948 1.00 0.00 O ATOM 990 CB GLU A 59 -4.270 -6.072 -7.874 1.00 0.00 C ATOM 991 CG GLU A 59 -4.943 -4.707 -7.957 1.00 0.00 C ATOM 992 CD GLU A 59 -4.022 -3.636 -8.489 1.00 0.00 C ATOM 993 OE1 GLU A 59 -3.275 -3.040 -7.713 1.00 0.00 O ATOM 994 OE2 GLU A 59 -4.019 -3.403 -9.725 1.00 0.00 O ATOM 0 H GLU A 59 -5.907 -6.276 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.396 -7.506 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.369 -6.051 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.937 -6.814 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.821 -4.778 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.295 -4.419 -6.966 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.360 -4.669 -4.993 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.497 -3.763 -4.260 1.00 0.00 C ATOM 1003 C VAL A 60 -1.867 -4.516 -3.103 1.00 0.00 C ATOM 1004 O VAL A 60 -0.646 -4.474 -2.905 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.266 -2.523 -3.717 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.325 -1.567 -2.987 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.982 -1.796 -4.841 1.00 0.00 C ATOM 0 H VAL A 60 -4.357 -4.511 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.734 -3.395 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.009 -2.882 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.890 -0.711 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.861 -2.084 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.551 -1.223 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.512 -0.934 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.254 -1.461 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.695 -2.471 -5.315 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.700 -5.255 -2.376 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.236 -6.040 -1.243 1.00 0.00 C ATOM 1019 C LYS A 61 -1.255 -7.117 -1.690 1.00 0.00 C ATOM 1020 O LYS A 61 -0.296 -7.431 -0.979 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.405 -6.661 -0.464 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.343 -5.636 0.169 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.424 -6.291 1.034 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.362 -7.179 0.230 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.430 -7.765 1.075 1.00 0.00 N ATOM 0 H LYS A 61 -3.702 -5.325 -2.554 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.716 -5.359 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.980 -7.297 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.005 -7.305 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.762 -4.944 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.817 -5.047 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.948 -6.885 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.004 -5.515 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.813 -6.597 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.790 -7.980 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.047 -8.363 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.001 -8.342 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.992 -7.002 1.503 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.483 -7.659 -2.872 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.603 -8.674 -3.443 1.00 0.00 C ATOM 1041 C ASP A 62 0.787 -8.105 -3.682 1.00 0.00 C ATOM 1042 O ASP A 62 1.776 -8.716 -3.303 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.178 -9.244 -4.737 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.339 -10.364 -5.300 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.278 -11.444 -4.680 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.269 -10.191 -6.377 1.00 0.00 O ATOM 0 H ASP A 62 -2.277 -7.413 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.526 -9.490 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.188 -9.609 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.258 -8.447 -5.477 1.00 0.00 H new ATOM 1051 N LYS A 63 0.861 -6.903 -4.269 1.00 0.00 N ATOM 1052 CA LYS A 63 2.145 -6.231 -4.475 1.00 0.00 C ATOM 1053 C LYS A 63 2.840 -5.941 -3.152 1.00 0.00 C ATOM 1054 O LYS A 63 4.051 -6.129 -3.031 1.00 0.00 O ATOM 1055 CB LYS A 63 1.997 -4.955 -5.303 1.00 0.00 C ATOM 1056 CG LYS A 63 1.672 -5.218 -6.762 1.00 0.00 C ATOM 1057 CD LYS A 63 1.653 -3.929 -7.583 1.00 0.00 C ATOM 1058 CE LYS A 63 0.435 -3.075 -7.276 1.00 0.00 C ATOM 1059 NZ LYS A 63 -0.800 -3.774 -7.654 1.00 0.00 N ATOM 0 H LYS A 63 0.052 -6.382 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 63 2.773 -6.918 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.210 -4.338 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.922 -4.382 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.409 -5.904 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.702 -5.709 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.558 -3.356 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.664 -4.176 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.412 -2.835 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.503 -2.130 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.605 -3.120 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.720 -4.115 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.950 -4.582 -7.017 1.00 0.00 H new ATOM 1073 N LEU A 64 2.062 -5.511 -2.159 1.00 0.00 N ATOM 1074 CA LEU A 64 2.580 -5.288 -0.807 1.00 0.00 C ATOM 1075 C LEU A 64 3.197 -6.580 -0.279 1.00 0.00 C ATOM 1076 O LEU A 64 4.319 -6.595 0.256 1.00 0.00 O ATOM 1077 CB LEU A 64 1.456 -4.834 0.139 1.00 0.00 C ATOM 1078 CG LEU A 64 0.809 -3.478 -0.156 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.319 -3.204 0.828 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.843 -2.374 -0.068 1.00 0.00 C ATOM 0 H LEU A 64 1.068 -5.309 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 64 3.337 -4.505 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.674 -5.593 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.856 -4.806 1.153 1.00 0.00 H new ATOM 0 HG LEU A 64 0.400 -3.504 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.769 -2.237 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.075 -3.984 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.078 -3.195 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.370 -1.415 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.270 -2.354 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.634 -2.557 -0.796 1.00 0.00 H new ATOM 1092 N THR A 65 2.482 -7.659 -0.476 1.00 0.00 N ATOM 1093 CA THR A 65 2.923 -8.948 -0.056 1.00 0.00 C ATOM 1094 C THR A 65 4.211 -9.343 -0.796 1.00 0.00 C ATOM 1095 O THR A 65 5.186 -9.729 -0.167 1.00 0.00 O ATOM 1096 CB THR A 65 1.811 -10.001 -0.265 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.623 -9.554 0.411 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.223 -11.356 0.298 1.00 0.00 C ATOM 0 H THR A 65 1.572 -7.658 -0.937 1.00 0.00 H new ATOM 0 HA THR A 65 3.146 -8.908 1.010 1.00 0.00 H new ATOM 0 HB THR A 65 1.631 -10.114 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.139 -8.922 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.421 -12.076 0.136 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.126 -11.700 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.417 -11.262 1.367 1.00 0.00 H new ATOM 1106 N ARG A 66 4.229 -9.153 -2.105 1.00 0.00 N ATOM 1107 CA ARG A 66 5.376 -9.512 -2.934 1.00 0.00 C ATOM 1108 C ARG A 66 6.648 -8.741 -2.567 1.00 0.00 C ATOM 1109 O ARG A 66 7.750 -9.246 -2.763 1.00 0.00 O ATOM 1110 CB ARG A 66 5.078 -9.351 -4.434 1.00 0.00 C ATOM 1111 CG ARG A 66 4.003 -10.287 -4.976 1.00 0.00 C ATOM 1112 CD ARG A 66 3.847 -10.134 -6.485 1.00 0.00 C ATOM 1113 NE ARG A 66 2.830 -11.036 -7.035 1.00 0.00 N ATOM 1114 CZ ARG A 66 3.008 -11.863 -8.086 1.00 0.00 C ATOM 1115 NH1 ARG A 66 4.157 -11.855 -8.768 1.00 0.00 N ATOM 1116 NH2 ARG A 66 2.031 -12.685 -8.458 1.00 0.00 N ATOM 0 H ARG A 66 3.452 -8.746 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 66 5.560 -10.566 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.772 -8.322 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.999 -9.516 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.262 -11.319 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.052 -10.075 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.579 -9.103 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.804 -10.331 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 66 1.914 -11.038 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.908 -11.220 -8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.284 -12.483 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.147 -12.690 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.165 -13.310 -9.253 1.00 0.00 H new ATOM 1130 N PHE A 67 6.505 -7.543 -2.040 1.00 0.00 N ATOM 1131 CA PHE A 67 7.665 -6.733 -1.717 1.00 0.00 C ATOM 1132 C PHE A 67 8.275 -7.109 -0.365 1.00 0.00 C ATOM 1133 O PHE A 67 9.428 -7.517 -0.298 1.00 0.00 O ATOM 1134 CB PHE A 67 7.311 -5.231 -1.738 1.00 0.00 C ATOM 1135 CG PHE A 67 8.499 -4.283 -1.585 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.938 -3.869 -0.333 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.162 -3.801 -2.703 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.005 -3.001 -0.204 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.231 -2.934 -2.579 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.653 -2.535 -1.329 1.00 0.00 C ATOM 0 H PHE A 67 5.606 -7.110 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 67 8.412 -6.934 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.805 -5.006 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.600 -5.030 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.437 -4.231 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.838 -4.108 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.331 -2.688 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.736 -2.569 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.489 -1.859 -1.231 1.00 0.00 H new ATOM 1150 N PHE A 68 7.501 -7.011 0.697 1.00 0.00 N ATOM 1151 CA PHE A 68 8.076 -7.141 2.042 1.00 0.00 C ATOM 1152 C PHE A 68 7.586 -8.333 2.849 1.00 0.00 C ATOM 1153 O PHE A 68 8.087 -8.569 3.954 1.00 0.00 O ATOM 1154 CB PHE A 68 7.845 -5.848 2.847 1.00 0.00 C ATOM 1155 CG PHE A 68 6.397 -5.411 2.916 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.525 -5.967 3.843 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.914 -4.446 2.049 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.207 -5.569 3.895 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.602 -4.045 2.100 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.747 -4.608 3.019 1.00 0.00 C ATOM 0 H PHE A 68 6.495 -6.846 0.670 1.00 0.00 H new ATOM 0 HA PHE A 68 9.138 -7.318 1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.218 -5.993 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.434 -5.046 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.884 -6.719 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.579 -4.002 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.536 -6.008 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.241 -3.288 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.713 -4.297 3.055 1.00 0.00 H new ATOM 1170 N LEU A 69 6.633 -9.070 2.353 1.00 0.00 N ATOM 1171 CA LEU A 69 6.082 -10.135 3.159 1.00 0.00 C ATOM 1172 C LEU A 69 6.360 -11.511 2.543 1.00 0.00 C ATOM 1173 O LEU A 69 7.227 -12.239 3.019 1.00 0.00 O ATOM 1174 CB LEU A 69 4.576 -9.885 3.334 1.00 0.00 C ATOM 1175 CG LEU A 69 3.809 -10.778 4.319 1.00 0.00 C ATOM 1176 CD1 LEU A 69 4.385 -10.663 5.725 1.00 0.00 C ATOM 1177 CD2 LEU A 69 2.327 -10.397 4.321 1.00 0.00 C ATOM 0 H LEU A 69 6.227 -8.963 1.423 1.00 0.00 H new ATOM 0 HA LEU A 69 6.564 -10.138 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.443 -8.850 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.105 -9.984 2.356 1.00 0.00 H new ATOM 0 HG LEU A 69 3.913 -11.814 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.823 -11.306 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.430 -10.971 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.314 -9.629 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.788 -11.035 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.220 -9.355 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.916 -10.530 3.320 1.00 0.00 H new ATOM 1189 N LEU A 70 5.680 -11.789 1.433 1.00 0.00 N ATOM 1190 CA LEU A 70 5.699 -13.037 0.677 1.00 0.00 C ATOM 1191 C LEU A 70 5.239 -14.195 1.518 1.00 0.00 C ATOM 1192 O LEU A 70 4.073 -14.616 1.475 1.00 0.00 O ATOM 1193 CB LEU A 70 7.086 -13.310 0.069 1.00 0.00 C ATOM 1194 CG LEU A 70 7.514 -12.396 -1.068 1.00 0.00 C ATOM 1195 CD1 LEU A 70 8.984 -12.601 -1.374 1.00 0.00 C ATOM 1196 CD2 LEU A 70 6.684 -12.698 -2.308 1.00 0.00 C ATOM 0 H LEU A 70 5.059 -11.100 1.010 1.00 0.00 H new ATOM 0 HA LEU A 70 4.995 -12.925 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.828 -13.238 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.105 -14.338 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 70 7.355 -11.360 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.281 -11.942 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.576 -12.371 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.154 -13.638 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.993 -12.041 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.835 -13.736 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.629 -12.533 -2.089 1.00 0.00 H new ATOM 1208 N GLU A 71 6.122 -14.585 2.339 1.00 0.00 N ATOM 1209 CA GLU A 71 6.055 -15.732 3.213 1.00 0.00 C ATOM 1210 C GLU A 71 7.124 -15.522 4.254 1.00 0.00 C ATOM 1211 O GLU A 71 6.850 -15.422 5.454 1.00 0.00 O ATOM 1212 CB GLU A 71 6.361 -17.045 2.451 1.00 0.00 C ATOM 1213 CG GLU A 71 5.315 -17.496 1.440 1.00 0.00 C ATOM 1214 CD GLU A 71 5.800 -18.652 0.613 1.00 0.00 C ATOM 1215 OE1 GLU A 71 5.998 -19.753 1.159 1.00 0.00 O ATOM 1216 OE2 GLU A 71 6.022 -18.475 -0.602 1.00 0.00 O ATOM 0 H GLU A 71 7.002 -14.080 2.445 1.00 0.00 H new ATOM 0 HA GLU A 71 5.056 -15.822 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.311 -16.925 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.496 -17.842 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.403 -17.781 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.059 -16.663 0.785 1.00 0.00 H new ATOM 1223 N HIS A 72 8.333 -15.382 3.757 1.00 0.00 N ATOM 1224 CA HIS A 72 9.519 -15.180 4.548 1.00 0.00 C ATOM 1225 C HIS A 72 10.028 -13.766 4.301 1.00 0.00 C ATOM 1226 O HIS A 72 10.109 -13.321 3.151 1.00 0.00 O ATOM 1227 CB HIS A 72 10.577 -16.212 4.105 1.00 0.00 C ATOM 1228 CG HIS A 72 11.885 -16.193 4.848 1.00 0.00 C ATOM 1229 ND1 HIS A 72 12.174 -17.060 5.871 1.00 0.00 N ATOM 1230 CD2 HIS A 72 13.005 -15.448 4.667 1.00 0.00 C ATOM 1231 CE1 HIS A 72 13.406 -16.857 6.286 1.00 0.00 C ATOM 1232 NE2 HIS A 72 13.931 -15.884 5.572 1.00 0.00 N ATOM 0 H HIS A 72 8.520 -15.407 2.755 1.00 0.00 H new ATOM 0 HA HIS A 72 9.310 -15.307 5.610 1.00 0.00 H new ATOM 0 HB2 HIS A 72 10.144 -17.208 4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 72 10.784 -16.056 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.139 -14.658 3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 72 13.902 -17.397 7.078 1.00 0.00 H new ATOM 0 HE2 HIS A 72 14.876 -15.515 5.677 1.00 0.00 H new ATOM 1241 N HIS A 73 10.360 -13.064 5.345 1.00 0.00 N ATOM 1242 CA HIS A 73 10.883 -11.720 5.191 1.00 0.00 C ATOM 1243 C HIS A 73 12.270 -11.655 5.784 1.00 0.00 C ATOM 1244 O HIS A 73 12.640 -12.518 6.581 1.00 0.00 O ATOM 1245 CB HIS A 73 9.945 -10.651 5.823 1.00 0.00 C ATOM 1246 CG HIS A 73 9.847 -10.641 7.330 1.00 0.00 C ATOM 1247 ND1 HIS A 73 8.873 -11.296 8.023 1.00 0.00 N ATOM 1248 CD2 HIS A 73 10.590 -9.996 8.258 1.00 0.00 C ATOM 1249 CE1 HIS A 73 9.009 -11.057 9.308 1.00 0.00 C ATOM 1250 NE2 HIS A 73 10.046 -10.266 9.481 1.00 0.00 N ATOM 0 H HIS A 73 10.282 -13.388 6.309 1.00 0.00 H new ATOM 0 HA HIS A 73 10.936 -11.489 4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.282 -9.667 5.497 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.943 -10.795 5.418 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.456 -9.380 8.067 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.375 -11.445 10.092 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.386 -9.914 10.376 1.00 0.00 H new ATOM 1259 N HIS A 74 13.031 -10.664 5.405 1.00 0.00 N ATOM 1260 CA HIS A 74 14.370 -10.506 5.951 1.00 0.00 C ATOM 1261 C HIS A 74 14.366 -9.495 7.094 1.00 0.00 C ATOM 1262 O HIS A 74 13.514 -8.595 7.136 1.00 0.00 O ATOM 1263 CB HIS A 74 15.431 -10.188 4.868 1.00 0.00 C ATOM 1264 CG HIS A 74 15.201 -8.947 4.061 1.00 0.00 C ATOM 1265 ND1 HIS A 74 14.699 -8.968 2.793 1.00 0.00 N ATOM 1266 CD2 HIS A 74 15.445 -7.653 4.337 1.00 0.00 C ATOM 1267 CE1 HIS A 74 14.641 -7.756 2.325 1.00 0.00 C ATOM 1268 NE2 HIS A 74 15.088 -6.932 3.239 1.00 0.00 N ATOM 0 H HIS A 74 12.758 -9.954 4.726 1.00 0.00 H new ATOM 0 HA HIS A 74 14.672 -11.469 6.364 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.403 -10.105 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.488 -11.035 4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.849 -7.260 5.258 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.283 -7.476 1.345 1.00 0.00 H new ATOM 0 HE2 HIS A 74 15.157 -5.919 3.144 1.00 0.00 H new ATOM 1277 N HIS A 75 15.302 -9.646 8.000 1.00 0.00 N ATOM 1278 CA HIS A 75 15.349 -8.862 9.226 1.00 0.00 C ATOM 1279 C HIS A 75 15.721 -7.388 9.012 1.00 0.00 C ATOM 1280 O HIS A 75 16.636 -7.064 8.247 1.00 0.00 O ATOM 1281 CB HIS A 75 16.277 -9.535 10.277 1.00 0.00 C ATOM 1282 CG HIS A 75 16.384 -8.799 11.598 1.00 0.00 C ATOM 1283 ND1 HIS A 75 15.447 -8.908 12.603 1.00 0.00 N ATOM 1284 CD2 HIS A 75 17.316 -7.927 12.057 1.00 0.00 C ATOM 1285 CE1 HIS A 75 15.797 -8.136 13.612 1.00 0.00 C ATOM 1286 NE2 HIS A 75 16.924 -7.537 13.303 1.00 0.00 N ATOM 0 H HIS A 75 16.062 -10.320 7.913 1.00 0.00 H new ATOM 0 HA HIS A 75 14.330 -8.848 9.612 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.913 -10.544 10.469 1.00 0.00 H new ATOM 0 HB3 HIS A 75 17.275 -9.632 9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 75 18.203 -7.602 11.533 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.250 -8.016 14.536 1.00 0.00 H new ATOM 0 HE2 HIS A 75 17.427 -6.882 13.902 1.00 0.00 H new ATOM 1295 N HIS A 76 14.943 -6.540 9.673 1.00 0.00 N ATOM 1296 CA HIS A 76 15.107 -5.087 9.817 1.00 0.00 C ATOM 1297 C HIS A 76 13.874 -4.620 10.547 1.00 0.00 C ATOM 1298 O HIS A 76 13.068 -5.467 10.948 1.00 0.00 O ATOM 1299 CB HIS A 76 15.270 -4.305 8.464 1.00 0.00 C ATOM 1300 CG HIS A 76 14.103 -4.337 7.499 1.00 0.00 C ATOM 1301 ND1 HIS A 76 13.061 -3.428 7.517 1.00 0.00 N ATOM 1302 CD2 HIS A 76 13.865 -5.136 6.443 1.00 0.00 C ATOM 1303 CE1 HIS A 76 12.253 -3.673 6.518 1.00 0.00 C ATOM 1304 NE2 HIS A 76 12.716 -4.698 5.852 1.00 0.00 N ATOM 0 H HIS A 76 14.112 -6.871 10.164 1.00 0.00 H new ATOM 0 HA HIS A 76 16.035 -4.883 10.351 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.484 -3.263 8.700 1.00 0.00 H new ATOM 0 HB3 HIS A 76 16.145 -4.701 7.949 1.00 0.00 H new ATOM 0 HD1 HIS A 76 12.941 -2.682 8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.472 -5.970 6.122 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.355 -3.121 6.283 1.00 0.00 H new ATOM 1313 N HIS A 77 13.724 -3.345 10.757 1.00 0.00 N ATOM 1314 CA HIS A 77 12.493 -2.855 11.318 1.00 0.00 C ATOM 1315 C HIS A 77 11.544 -2.674 10.171 1.00 0.00 C ATOM 1316 O HIS A 77 10.593 -3.449 10.055 1.00 0.00 O ATOM 1317 CB HIS A 77 12.675 -1.540 12.093 1.00 0.00 C ATOM 1318 CG HIS A 77 11.424 -1.083 12.806 1.00 0.00 C ATOM 1319 ND1 HIS A 77 10.732 0.057 12.476 1.00 0.00 N ATOM 1320 CD2 HIS A 77 10.757 -1.618 13.860 1.00 0.00 C ATOM 1321 CE1 HIS A 77 9.707 0.202 13.282 1.00 0.00 C ATOM 1322 NE2 HIS A 77 9.696 -0.799 14.128 1.00 0.00 N ATOM 1323 OXT HIS A 77 11.853 -1.854 9.295 1.00 0.00 O ATOM 0 H HIS A 77 14.425 -2.633 10.553 1.00 0.00 H new ATOM 0 HA HIS A 77 12.110 -3.568 12.048 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.475 -1.665 12.823 1.00 0.00 H new ATOM 0 HB3 HIS A 77 12.995 -0.761 11.401 1.00 0.00 H new ATOM 0 HD1 HIS A 77 10.978 0.694 11.719 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.016 -2.523 14.389 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.992 1.011 13.253 1.00 0.00 H new TER 1332 HIS A 77