USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 Single : A 1 MET CE :methyl -118:sc= 0 (180deg=-0.442) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.57 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 0.934 (180deg=0.0831) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.526 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.92 (180deg=1.89) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= 0.671 (180deg=0.0361) USER MOD Single : A 31 GLN : amide:sc= -0.672 K(o=-0.67,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= 1.33 (180deg=0.883) USER MOD Single : A 40 GLN : amide:sc= -0.562 K(o=-0.56,f=-4.4!) USER MOD Single : A 41 GLN : amide:sc= 0.836 K(o=0.84,f=-3.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 57 SER OG : rot 87:sc= 1.22 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.214 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0156) USER MOD Single : A 65 SER OG : rot -92:sc= 0.258 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0156 X(o=0.016,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.345 -7.265 -5.094 1.00 9.67 N ATOM 2 CA MET A 1 11.366 -7.639 -3.697 1.00 10.38 C ATOM 3 C MET A 1 9.991 -7.963 -3.216 1.00 9.62 C ATOM 4 O MET A 1 8.973 -7.716 -3.874 1.00 9.62 O ATOM 5 CB MET A 1 12.107 -6.495 -2.828 1.00 13.77 C ATOM 6 CG MET A 1 11.238 -5.343 -2.338 1.00 16.29 C ATOM 7 SD MET A 1 12.160 -4.182 -1.264 1.00 17.17 S ATOM 8 CE MET A 1 10.754 -3.027 -1.172 1.00 16.11 C ATOM 0 H1 MET A 1 12.316 -7.258 -5.466 1.00 9.67 H new ATOM 0 H2 MET A 1 10.774 -7.951 -5.628 1.00 9.67 H new ATOM 0 H3 MET A 1 10.929 -6.317 -5.193 1.00 9.67 H new ATOM 0 HA MET A 1 11.948 -8.552 -3.568 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.566 -6.969 -1.960 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.916 -6.080 -3.429 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.839 -4.802 -3.196 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.385 -5.743 -1.789 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.041 -2.069 -1.606 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.909 -3.437 -1.725 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.469 -2.883 -0.130 1.00 16.11 H new ATOM 20 N GLN A 2 9.791 -8.493 -1.960 1.00 9.27 N ATOM 21 CA GLN A 2 8.462 -8.845 -1.434 1.00 9.07 C ATOM 22 C GLN A 2 8.234 -7.949 -0.248 1.00 8.72 C ATOM 23 O GLN A 2 9.111 -7.707 0.538 1.00 8.22 O ATOM 24 CB GLN A 2 8.443 -10.333 -0.936 1.00 14.46 C ATOM 25 CG GLN A 2 8.528 -11.382 -2.101 1.00 17.01 C ATOM 26 CD GLN A 2 8.402 -12.828 -1.687 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.048 -13.156 -0.680 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.688 -13.724 -2.425 1.00 19.49 N ATOM 0 H GLN A 2 10.552 -8.679 -1.306 1.00 9.27 H new ATOM 0 HA GLN A 2 7.701 -8.728 -2.205 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.278 -10.491 -0.254 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.530 -10.506 -0.367 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.743 -11.160 -2.824 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.480 -11.251 -2.615 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.171 -13.411 -3.246 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.671 -14.708 -2.156 1.00 19.49 H new ATOM 37 N ILE A 3 6.963 -7.538 -0.192 1.00 5.87 N ATOM 38 CA ILE A 3 6.291 -6.701 0.840 1.00 5.07 C ATOM 39 C ILE A 3 4.968 -7.398 1.135 1.00 4.01 C ATOM 40 O ILE A 3 4.411 -8.194 0.379 1.00 4.61 O ATOM 41 CB ILE A 3 6.136 -5.239 0.458 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.152 -4.975 -0.669 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.444 -4.682 0.212 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.648 -3.524 -0.521 1.00 10.83 C ATOM 0 H ILE A 3 6.308 -7.800 -0.929 1.00 5.87 H new ATOM 0 HA ILE A 3 6.909 -6.633 1.735 1.00 5.07 H new ATOM 0 HB ILE A 3 5.675 -4.725 1.302 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.632 -5.116 -1.637 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.319 -5.676 -0.621 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.346 -3.632 -0.063 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.051 -4.766 1.114 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.925 -5.227 -0.600 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.938 -3.303 -1.318 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.158 -3.406 0.445 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.492 -2.837 -0.586 1.00 10.83 H new ATOM 56 N PHE A 4 4.451 -7.046 2.292 1.00 4.55 N ATOM 57 CA PHE A 4 3.216 -7.624 2.768 1.00 4.68 C ATOM 58 C PHE A 4 2.217 -6.486 2.936 1.00 5.30 C ATOM 59 O PHE A 4 2.561 -5.332 3.200 1.00 5.58 O ATOM 60 CB PHE A 4 3.362 -8.311 4.165 1.00 4.83 C ATOM 61 CG PHE A 4 4.397 -9.447 4.201 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.659 -10.246 3.114 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.068 -9.720 5.398 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.608 -11.203 3.113 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.062 -10.717 5.482 1.00 10.61 C ATOM 66 CZ PHE A 4 6.298 -11.474 4.284 1.00 8.90 C ATOM 0 H PHE A 4 4.869 -6.360 2.921 1.00 4.55 H new ATOM 0 HA PHE A 4 2.903 -8.380 2.048 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.640 -7.557 4.901 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.392 -8.708 4.466 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.076 -10.100 2.217 1.00 6.69 H new ATOM 0 HD2 PHE A 4 4.818 -9.152 6.282 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.828 -11.753 2.210 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.613 -10.900 6.393 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.028 -12.270 4.296 1.00 8.90 H new ATOM 76 N VAL A 5 0.913 -6.721 2.676 1.00 4.44 N ATOM 77 CA VAL A 5 -0.137 -5.737 2.904 1.00 3.87 C ATOM 78 C VAL A 5 -1.181 -6.361 3.760 1.00 4.93 C ATOM 79 O VAL A 5 -1.693 -7.452 3.403 1.00 6.84 O ATOM 80 CB VAL A 5 -0.810 -5.146 1.618 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.240 -4.507 1.843 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.191 -4.109 1.076 1.00 9.13 C ATOM 0 H VAL A 5 0.570 -7.605 2.301 1.00 4.44 H new ATOM 0 HA VAL A 5 0.350 -4.886 3.380 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.013 -5.953 0.914 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.622 -4.126 0.896 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.921 -5.265 2.230 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.164 -3.688 2.559 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.212 -3.651 0.173 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.360 -3.339 1.828 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.135 -4.602 0.843 1.00 9.13 H new ATOM 92 N LYS A 6 -1.525 -5.704 4.833 1.00 6.04 N ATOM 93 CA LYS A 6 -2.445 -6.222 5.820 1.00 6.12 C ATOM 94 C LYS A 6 -3.767 -5.521 5.654 1.00 6.57 C ATOM 95 O LYS A 6 -3.832 -4.263 5.748 1.00 5.76 O ATOM 96 CB LYS A 6 -1.795 -6.022 7.205 1.00 7.45 C ATOM 97 CG LYS A 6 -2.428 -6.994 8.274 1.00 11.12 C ATOM 98 CD LYS A 6 -1.667 -6.811 9.610 1.00 14.54 C ATOM 99 CE LYS A 6 -2.053 -7.986 10.517 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.220 -8.099 11.697 1.00 20.55 N ATOM 0 H LYS A 6 -1.169 -4.774 5.055 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.646 -7.287 5.703 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.722 -6.201 7.136 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.926 -4.989 7.526 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.487 -6.774 8.407 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.358 -8.028 7.936 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.590 -6.794 9.440 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.931 -5.862 10.076 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.092 -7.872 10.825 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.989 -8.912 9.946 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.533 -8.911 12.266 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.230 -8.237 11.411 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.299 -7.229 12.262 1.00 20.55 H new ATOM 114 N THR A 7 -4.832 -6.316 5.247 1.00 7.41 N ATOM 115 CA THR A 7 -6.124 -5.824 4.824 1.00 7.48 C ATOM 116 C THR A 7 -7.050 -5.450 5.976 1.00 8.75 C ATOM 117 O THR A 7 -6.844 -5.755 7.160 1.00 8.58 O ATOM 118 CB THR A 7 -6.881 -6.790 3.871 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.351 -8.019 4.457 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.021 -7.188 2.645 1.00 9.17 C ATOM 0 H THR A 7 -4.770 -7.334 5.219 1.00 7.41 H new ATOM 0 HA THR A 7 -5.870 -4.918 4.274 1.00 7.48 H new ATOM 0 HB THR A 7 -7.752 -6.196 3.593 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.813 -8.551 3.775 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.589 -7.864 2.006 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.755 -6.294 2.082 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.113 -7.687 2.984 1.00 9.17 H new ATOM 128 N LEU A 8 -8.105 -4.696 5.670 1.00 9.84 N ATOM 129 CA LEU A 8 -9.169 -4.310 6.586 1.00 14.15 C ATOM 130 C LEU A 8 -9.830 -5.463 7.361 1.00 17.37 C ATOM 131 O LEU A 8 -10.084 -5.399 8.548 1.00 17.01 O ATOM 132 CB LEU A 8 -10.264 -3.597 5.679 1.00 16.63 C ATOM 133 CG LEU A 8 -11.218 -2.657 6.467 1.00 18.88 C ATOM 134 CD1 LEU A 8 -12.402 -3.415 7.143 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.538 -1.806 7.476 1.00 18.59 C ATOM 0 H LEU A 8 -8.244 -4.322 4.731 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.737 -3.678 7.362 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.760 -3.020 4.904 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.857 -4.360 5.174 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.616 -1.998 5.696 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -13.032 -2.704 7.677 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.993 -3.921 6.380 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.010 -4.151 7.845 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.275 -1.181 7.981 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.037 -2.439 8.208 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.802 -1.172 6.981 1.00 18.59 H new ATOM 147 N THR A 9 -10.088 -6.636 6.753 1.00 18.33 N ATOM 148 CA THR A 9 -10.539 -7.850 7.428 1.00 19.24 C ATOM 149 C THR A 9 -9.407 -8.696 7.904 1.00 19.48 C ATOM 150 O THR A 9 -9.673 -9.822 8.358 1.00 23.14 O ATOM 151 CB THR A 9 -11.501 -8.680 6.548 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.982 -9.111 5.333 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.683 -7.804 6.108 1.00 19.70 C ATOM 0 H THR A 9 -9.982 -6.760 5.746 1.00 18.33 H new ATOM 0 HA THR A 9 -11.089 -7.513 8.307 1.00 19.24 H new ATOM 0 HB THR A 9 -11.743 -9.534 7.181 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.662 -9.627 4.851 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.360 -8.391 5.488 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.217 -7.445 6.988 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.312 -6.953 5.536 1.00 19.70 H new ATOM 161 N GLY A 10 -8.182 -8.242 7.848 1.00 19.43 N ATOM 162 CA GLY A 10 -7.082 -8.750 8.626 1.00 18.74 C ATOM 163 C GLY A 10 -6.334 -9.841 7.898 1.00 17.62 C ATOM 164 O GLY A 10 -5.540 -10.590 8.509 1.00 19.74 O ATOM 0 H GLY A 10 -7.912 -7.475 7.232 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.397 -7.935 8.862 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.456 -9.137 9.574 1.00 18.74 H new ATOM 168 N LYS A 11 -6.559 -9.991 6.583 1.00 13.56 N ATOM 169 CA LYS A 11 -5.747 -10.869 5.825 1.00 11.91 C ATOM 170 C LYS A 11 -4.365 -10.173 5.400 1.00 10.18 C ATOM 171 O LYS A 11 -4.274 -9.010 5.064 1.00 9.10 O ATOM 172 CB LYS A 11 -6.404 -11.418 4.536 1.00 13.43 C ATOM 173 CG LYS A 11 -5.691 -12.471 3.675 1.00 16.69 C ATOM 174 CD LYS A 11 -6.650 -12.887 2.556 1.00 17.92 C ATOM 175 CE LYS A 11 -6.579 -12.001 1.309 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.753 -12.314 0.491 1.00 21.93 N ATOM 0 H LYS A 11 -7.290 -9.512 6.058 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.583 -11.709 6.501 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.368 -11.838 4.822 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.608 -10.563 3.892 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.770 -12.063 3.257 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.412 -13.334 4.280 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.433 -13.916 2.270 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.669 -12.872 2.942 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.572 -10.947 1.585 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.661 -12.191 0.753 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.177 -11.431 0.141 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.467 -12.904 -0.316 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.450 -12.829 1.066 1.00 21.93 H new ATOM 190 N THR A 12 -3.214 -10.952 5.412 1.00 9.63 N ATOM 191 CA THR A 12 -1.897 -10.429 5.129 1.00 9.85 C ATOM 192 C THR A 12 -1.466 -11.085 3.831 1.00 11.66 C ATOM 193 O THR A 12 -1.293 -12.338 3.778 1.00 12.33 O ATOM 194 CB THR A 12 -0.812 -10.652 6.200 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.251 -10.241 7.516 1.00 10.91 O ATOM 196 CG2 THR A 12 0.526 -10.087 5.938 1.00 9.63 C ATOM 0 H THR A 12 -3.220 -11.950 5.622 1.00 9.63 H new ATOM 0 HA THR A 12 -1.986 -9.343 5.088 1.00 9.85 H new ATOM 0 HB THR A 12 -0.678 -11.733 6.151 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.534 -10.401 8.165 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.188 -10.319 6.772 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.930 -10.519 5.023 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.449 -9.006 5.826 1.00 9.63 H new ATOM 204 N ILE A 13 -1.396 -10.260 2.704 1.00 10.42 N ATOM 205 CA ILE A 13 -0.954 -10.688 1.384 1.00 11.84 C ATOM 206 C ILE A 13 0.485 -10.316 1.145 1.00 10.55 C ATOM 207 O ILE A 13 1.094 -9.549 1.830 1.00 11.92 O ATOM 208 CB ILE A 13 -1.919 -10.152 0.301 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.812 -8.689 0.071 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.380 -10.605 0.661 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.817 -8.099 -0.957 1.00 16.46 C ATOM 0 H ILE A 13 -1.658 -9.275 2.734 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.989 -11.776 1.326 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.630 -10.585 -0.657 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -1.951 -8.178 1.024 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.800 -8.465 -0.266 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.073 -10.234 -0.095 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.426 -11.694 0.692 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.656 -10.202 1.635 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.654 -7.025 -1.050 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.667 -8.574 -1.926 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.836 -8.283 -0.616 1.00 16.46 H new ATOM 223 N THR A 14 1.088 -10.993 0.103 1.00 9.39 N ATOM 224 CA THR A 14 2.414 -10.771 -0.424 1.00 9.63 C ATOM 225 C THR A 14 2.406 -10.111 -1.749 1.00 11.20 C ATOM 226 O THR A 14 1.820 -10.672 -2.676 1.00 11.63 O ATOM 227 CB THR A 14 3.358 -12.001 -0.528 1.00 10.38 C ATOM 228 OG1 THR A 14 3.585 -12.492 0.797 1.00 16.30 O ATOM 229 CG2 THR A 14 4.756 -11.554 -1.005 1.00 11.66 C ATOM 0 H THR A 14 0.603 -11.741 -0.392 1.00 9.39 H new ATOM 0 HA THR A 14 2.824 -10.123 0.351 1.00 9.63 H new ATOM 0 HB THR A 14 2.907 -12.729 -1.202 1.00 10.38 H new ATOM 0 HG1 THR A 14 4.025 -11.799 1.332 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.411 -12.422 -1.075 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.673 -11.082 -1.984 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.173 -10.841 -0.293 1.00 11.66 H new ATOM 237 N LEU A 15 3.109 -8.944 -2.010 1.00 8.29 N ATOM 238 CA LEU A 15 3.106 -8.339 -3.353 1.00 9.03 C ATOM 239 C LEU A 15 4.570 -8.395 -3.723 1.00 8.59 C ATOM 240 O LEU A 15 5.452 -8.483 -2.870 1.00 7.79 O ATOM 241 CB LEU A 15 2.613 -6.890 -3.441 1.00 11.08 C ATOM 242 CG LEU A 15 1.324 -6.741 -2.689 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.935 -5.283 -2.728 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.174 -7.589 -3.305 1.00 15.27 C ATOM 0 H LEU A 15 3.659 -8.438 -1.316 1.00 8.29 H new ATOM 0 HA LEU A 15 2.412 -8.870 -4.004 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.364 -6.216 -3.029 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.470 -6.608 -4.484 1.00 11.08 H new ATOM 0 HG LEU A 15 1.476 -7.096 -1.670 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.001 -5.142 -2.188 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.717 -4.685 -2.261 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.808 -4.968 -3.764 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.736 -7.445 -2.723 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.000 -7.274 -4.334 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.451 -8.643 -3.290 1.00 15.27 H new ATOM 256 N GLU A 16 4.866 -8.469 -5.014 1.00 11.04 N ATOM 257 CA GLU A 16 6.191 -8.462 -5.604 1.00 11.50 C ATOM 258 C GLU A 16 6.336 -7.037 -6.196 1.00 10.13 C ATOM 259 O GLU A 16 5.434 -6.604 -6.927 1.00 9.83 O ATOM 260 CB GLU A 16 6.284 -9.528 -6.691 1.00 17.22 C ATOM 261 CG GLU A 16 7.591 -9.454 -7.483 1.00 23.33 C ATOM 262 CD GLU A 16 8.975 -9.661 -6.816 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.258 -10.809 -6.408 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.819 -8.716 -6.761 1.00 28.90 O ATOM 0 H GLU A 16 4.135 -8.540 -5.721 1.00 11.04 H new ATOM 0 HA GLU A 16 6.981 -8.687 -4.888 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.196 -10.514 -6.235 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.443 -9.417 -7.375 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.515 -10.191 -8.282 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.615 -8.472 -7.956 1.00 23.33 H new ATOM 271 N VAL A 17 7.436 -6.283 -5.814 1.00 8.99 N ATOM 272 CA VAL A 17 7.543 -4.858 -6.152 1.00 8.85 C ATOM 273 C VAL A 17 8.953 -4.488 -6.257 1.00 8.04 C ATOM 274 O VAL A 17 9.870 -5.030 -5.602 1.00 8.99 O ATOM 275 CB VAL A 17 7.010 -3.933 -5.038 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.508 -3.822 -5.073 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.457 -4.497 -3.710 1.00 10.54 C ATOM 0 H VAL A 17 8.227 -6.653 -5.286 1.00 8.99 H new ATOM 0 HA VAL A 17 6.972 -4.735 -7.072 1.00 8.85 H new ATOM 0 HB VAL A 17 7.407 -2.929 -5.188 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.173 -3.162 -4.273 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.196 -3.414 -6.034 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.067 -4.809 -4.937 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.093 -3.861 -2.903 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.055 -5.503 -3.588 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.546 -4.535 -3.679 1.00 10.54 H new ATOM 287 N GLU A 18 9.334 -3.482 -7.112 1.00 7.29 N ATOM 288 CA GLU A 18 10.616 -2.931 -7.193 1.00 7.08 C ATOM 289 C GLU A 18 10.647 -1.790 -6.190 1.00 6.45 C ATOM 290 O GLU A 18 9.639 -1.091 -6.079 1.00 5.28 O ATOM 291 CB GLU A 18 10.977 -2.390 -8.581 1.00 10.28 C ATOM 292 CG GLU A 18 11.171 -3.553 -9.625 1.00 12.65 C ATOM 293 CD GLU A 18 12.359 -4.433 -9.302 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.507 -4.058 -9.643 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.051 -5.572 -8.865 1.00 14.33 O ATOM 0 H GLU A 18 8.681 -3.055 -7.769 1.00 7.29 H new ATOM 0 HA GLU A 18 11.346 -3.714 -6.986 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.191 -1.718 -8.926 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.893 -1.802 -8.516 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.269 -4.164 -9.655 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.300 -3.126 -10.619 1.00 12.65 H new ATOM 302 N PRO A 19 11.815 -1.502 -5.479 1.00 7.24 N ATOM 303 CA PRO A 19 11.925 -0.348 -4.496 1.00 7.07 C ATOM 304 C PRO A 19 11.807 0.979 -5.145 1.00 6.65 C ATOM 305 O PRO A 19 11.712 1.953 -4.421 1.00 6.37 O ATOM 306 CB PRO A 19 13.353 -0.657 -3.982 1.00 7.61 C ATOM 307 CG PRO A 19 14.088 -1.150 -5.122 1.00 8.16 C ATOM 308 CD PRO A 19 13.102 -2.144 -5.687 1.00 7.49 C ATOM 0 HA PRO A 19 11.147 -0.284 -3.735 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.822 0.237 -3.572 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.328 -1.398 -3.183 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.329 -0.359 -5.832 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.029 -1.619 -4.835 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.288 -2.337 -6.744 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.160 -3.103 -5.172 1.00 7.49 H new ATOM 316 N SER A 20 11.832 1.031 -6.474 1.00 6.80 N ATOM 317 CA SER A 20 11.631 2.241 -7.257 1.00 6.28 C ATOM 318 C SER A 20 10.191 2.437 -7.540 1.00 8.45 C ATOM 319 O SER A 20 9.890 3.585 -7.939 1.00 7.26 O ATOM 320 CB SER A 20 12.317 2.123 -8.683 1.00 8.57 C ATOM 321 OG SER A 20 11.925 1.035 -9.471 1.00 11.13 O ATOM 0 H SER A 20 11.998 0.206 -7.051 1.00 6.80 H new ATOM 0 HA SER A 20 12.056 3.058 -6.674 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.113 3.039 -9.238 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.396 2.071 -8.540 1.00 8.57 H new ATOM 0 HG SER A 20 12.405 1.060 -10.325 1.00 11.13 H new ATOM 327 N ASP A 21 9.207 1.483 -7.394 1.00 7.50 N ATOM 328 CA ASP A 21 7.800 1.567 -7.668 1.00 7.70 C ATOM 329 C ASP A 21 7.144 2.660 -6.766 1.00 7.08 C ATOM 330 O ASP A 21 7.389 2.756 -5.550 1.00 8.11 O ATOM 331 CB ASP A 21 6.971 0.242 -7.594 1.00 11.00 C ATOM 332 CG ASP A 21 7.365 -0.611 -8.749 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.761 -0.038 -9.811 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.377 -1.886 -8.597 1.00 18.03 O ATOM 0 H ASP A 21 9.448 0.556 -7.043 1.00 7.50 H new ATOM 0 HA ASP A 21 7.761 1.833 -8.724 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.163 -0.276 -6.654 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.903 0.458 -7.626 1.00 11.00 H new ATOM 339 N THR A 22 6.326 3.511 -7.391 1.00 5.37 N ATOM 340 CA THR A 22 5.440 4.446 -6.691 1.00 6.01 C ATOM 341 C THR A 22 4.351 3.809 -5.943 1.00 8.01 C ATOM 342 O THR A 22 3.789 2.760 -6.201 1.00 8.11 O ATOM 343 CB THR A 22 4.893 5.594 -7.583 1.00 8.92 C ATOM 344 OG1 THR A 22 3.967 5.091 -8.573 1.00 10.22 O ATOM 345 CG2 THR A 22 5.989 6.438 -8.175 1.00 9.65 C ATOM 0 H THR A 22 6.259 3.571 -8.407 1.00 5.37 H new ATOM 0 HA THR A 22 6.106 4.898 -5.956 1.00 6.01 H new ATOM 0 HB THR A 22 4.329 6.268 -6.938 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.637 5.834 -9.120 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.551 7.225 -8.789 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.575 6.887 -7.374 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.636 5.814 -8.792 1.00 9.65 H new ATOM 353 N ILE A 23 3.937 4.455 -4.837 1.00 8.32 N ATOM 354 CA ILE A 23 2.818 4.001 -4.000 1.00 9.92 C ATOM 355 C ILE A 23 1.534 3.835 -4.811 1.00 10.01 C ATOM 356 O ILE A 23 0.775 2.870 -4.686 1.00 8.71 O ATOM 357 CB ILE A 23 2.611 4.888 -2.743 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.841 4.848 -1.842 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.312 4.682 -1.963 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.097 3.536 -1.129 1.00 12.30 C ATOM 0 H ILE A 23 4.375 5.312 -4.499 1.00 8.32 H new ATOM 0 HA ILE A 23 3.090 3.013 -3.628 1.00 9.92 H new ATOM 0 HB ILE A 23 2.487 5.894 -3.143 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.717 5.089 -2.445 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.744 5.634 -1.093 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.289 5.360 -1.110 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.461 4.887 -2.613 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.259 3.652 -1.610 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.995 3.623 -0.518 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.246 3.296 -0.491 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.234 2.743 -1.864 1.00 12.30 H new ATOM 372 N GLU A 24 1.307 4.637 -5.811 1.00 9.54 N ATOM 373 CA GLU A 24 0.221 4.522 -6.847 1.00 11.81 C ATOM 374 C GLU A 24 0.244 3.215 -7.642 1.00 11.14 C ATOM 375 O GLU A 24 -0.802 2.562 -7.855 1.00 10.62 O ATOM 376 CB GLU A 24 0.254 5.844 -7.696 1.00 19.24 C ATOM 377 CG GLU A 24 -1.103 6.101 -8.331 1.00 27.76 C ATOM 378 CD GLU A 24 -0.967 7.181 -9.361 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.253 7.013 -10.392 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.577 8.305 -9.138 1.00 36.51 O ATOM 0 H GLU A 24 1.893 5.456 -5.970 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.755 4.440 -6.368 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.530 6.685 -7.060 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.016 5.767 -8.471 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.481 5.188 -8.791 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.824 6.397 -7.569 1.00 27.76 H new ATOM 387 N ASN A 25 1.476 2.845 -8.023 1.00 9.43 N ATOM 388 CA ASN A 25 1.743 1.602 -8.757 1.00 10.96 C ATOM 389 C ASN A 25 1.456 0.440 -7.849 1.00 9.68 C ATOM 390 O ASN A 25 0.861 -0.565 -8.246 1.00 9.33 O ATOM 391 CB ASN A 25 3.171 1.658 -9.369 1.00 16.78 C ATOM 392 CG ASN A 25 3.466 0.510 -10.380 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.963 -0.536 -9.933 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.086 0.742 -11.612 1.00 24.70 N ATOM 0 H ASN A 25 2.311 3.398 -7.831 1.00 9.43 H new ATOM 0 HA ASN A 25 1.084 1.470 -9.615 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.303 2.616 -9.872 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.904 1.617 -8.563 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.188 0.017 -12.322 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.688 1.648 -11.861 1.00 24.70 H new ATOM 401 N VAL A 26 1.786 0.537 -6.540 1.00 6.52 N ATOM 402 CA VAL A 26 1.548 -0.611 -5.630 1.00 5.53 C ATOM 403 C VAL A 26 0.118 -0.816 -5.332 1.00 4.42 C ATOM 404 O VAL A 26 -0.384 -1.918 -5.355 1.00 3.40 O ATOM 405 CB VAL A 26 2.352 -0.525 -4.306 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.115 -1.726 -3.345 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.874 -0.400 -4.754 1.00 8.12 C ATOM 0 H VAL A 26 2.200 1.360 -6.103 1.00 6.52 H new ATOM 0 HA VAL A 26 1.913 -1.476 -6.184 1.00 5.53 H new ATOM 0 HB VAL A 26 2.025 0.330 -3.715 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.711 -1.593 -2.442 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.059 -1.776 -3.078 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.408 -2.652 -3.840 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.509 -0.334 -3.871 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.155 -1.277 -5.338 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.002 0.496 -5.361 1.00 8.12 H new ATOM 417 N LYS A 27 -0.641 0.318 -5.169 1.00 2.64 N ATOM 418 CA LYS A 27 -2.133 0.270 -5.005 1.00 4.14 C ATOM 419 C LYS A 27 -2.905 -0.479 -6.120 1.00 5.58 C ATOM 420 O LYS A 27 -3.869 -1.247 -5.892 1.00 4.11 O ATOM 421 CB LYS A 27 -2.831 1.605 -4.718 1.00 3.97 C ATOM 422 CG LYS A 27 -2.407 2.175 -3.380 1.00 7.45 C ATOM 423 CD LYS A 27 -3.323 3.355 -3.154 1.00 9.02 C ATOM 424 CE LYS A 27 -2.898 4.596 -3.903 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.995 5.606 -3.913 1.00 15.47 N ATOM 0 H LYS A 27 -0.250 1.260 -5.148 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.190 -0.325 -4.094 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.597 2.317 -5.509 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.911 1.462 -4.728 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.510 1.436 -2.585 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.362 2.483 -3.395 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.334 3.084 -3.458 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.360 3.578 -2.088 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.009 5.022 -3.437 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.628 4.335 -4.926 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.672 6.465 -4.403 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.822 5.215 -4.408 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.257 5.843 -2.935 1.00 15.47 H new ATOM 439 N ALA A 28 -2.524 -0.329 -7.422 1.00 6.61 N ATOM 440 CA ALA A 28 -2.993 -1.128 -8.523 1.00 7.74 C ATOM 441 C ALA A 28 -2.804 -2.644 -8.468 1.00 9.17 C ATOM 442 O ALA A 28 -3.648 -3.457 -8.832 1.00 11.45 O ATOM 443 CB ALA A 28 -2.323 -0.702 -9.851 1.00 7.68 C ATOM 0 H ALA A 28 -1.857 0.386 -7.712 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.063 -0.933 -8.454 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.698 -1.324 -10.664 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.555 0.343 -10.057 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.243 -0.824 -9.769 1.00 7.68 H new ATOM 449 N LYS A 29 -1.633 -3.084 -7.935 1.00 8.96 N ATOM 450 CA LYS A 29 -1.324 -4.456 -7.679 1.00 7.90 C ATOM 451 C LYS A 29 -2.195 -5.085 -6.626 1.00 6.92 C ATOM 452 O LYS A 29 -2.700 -6.215 -6.760 1.00 6.87 O ATOM 453 CB LYS A 29 0.128 -4.565 -7.330 1.00 10.28 C ATOM 454 CG LYS A 29 0.739 -5.995 -7.603 1.00 14.94 C ATOM 455 CD LYS A 29 2.276 -5.980 -7.846 1.00 19.69 C ATOM 456 CE LYS A 29 2.673 -5.598 -9.299 1.00 22.63 C ATOM 457 NZ LYS A 29 4.142 -5.393 -9.332 1.00 24.98 N ATOM 0 H LYS A 29 -0.877 -2.450 -7.675 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.534 -5.021 -8.587 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.687 -3.825 -7.903 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.259 -4.318 -6.276 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.520 -6.642 -6.754 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.246 -6.431 -8.472 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.738 -5.275 -7.155 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.682 -6.965 -7.615 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.382 -6.386 -9.994 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.154 -4.691 -9.610 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.538 -5.853 -10.177 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.350 -4.374 -9.363 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.570 -5.808 -8.480 1.00 24.98 H new ATOM 471 N ILE A 30 -2.491 -4.326 -5.493 1.00 4.57 N ATOM 472 CA ILE A 30 -3.468 -4.718 -4.485 1.00 5.58 C ATOM 473 C ILE A 30 -4.831 -4.816 -5.105 1.00 7.26 C ATOM 474 O ILE A 30 -5.596 -5.697 -4.797 1.00 9.46 O ATOM 475 CB ILE A 30 -3.564 -3.727 -3.293 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.206 -3.511 -2.619 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.550 -4.270 -2.227 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.262 -2.299 -1.715 1.00 2.00 C ATOM 0 H ILE A 30 -2.038 -3.435 -5.291 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.126 -5.679 -4.100 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.914 -2.777 -3.697 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.934 -4.394 -2.040 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.433 -3.375 -3.376 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.610 -3.568 -1.396 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.538 -4.390 -2.672 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.197 -5.235 -1.862 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.292 -2.154 -1.240 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.513 -1.417 -2.304 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.022 -2.452 -0.948 1.00 2.00 H new ATOM 490 N GLN A 31 -5.172 -3.960 -6.071 1.00 7.06 N ATOM 491 CA GLN A 31 -6.381 -4.038 -6.763 1.00 8.67 C ATOM 492 C GLN A 31 -6.598 -5.328 -7.591 1.00 10.90 C ATOM 493 O GLN A 31 -7.699 -5.882 -7.533 1.00 9.63 O ATOM 494 CB GLN A 31 -6.505 -2.794 -7.678 1.00 9.12 C ATOM 495 CG GLN A 31 -7.928 -2.607 -8.334 1.00 10.76 C ATOM 496 CD GLN A 31 -7.928 -1.637 -9.455 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.871 -1.104 -9.845 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.077 -1.292 -10.066 1.00 14.76 N ATOM 0 H GLN A 31 -4.575 -3.190 -6.372 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.162 -4.069 -6.003 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.267 -1.904 -7.095 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.760 -2.865 -8.470 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.284 -3.571 -8.696 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.632 -2.273 -7.572 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.958 -1.711 -9.769 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.066 -0.612 -10.826 1.00 14.76 H new ATOM 507 N ASP A 32 -5.541 -5.807 -8.248 1.00 10.93 N ATOM 508 CA ASP A 32 -5.479 -7.093 -9.000 1.00 14.01 C ATOM 509 C ASP A 32 -5.710 -8.277 -8.071 1.00 14.04 C ATOM 510 O ASP A 32 -6.576 -9.119 -8.365 1.00 13.39 O ATOM 511 CB ASP A 32 -4.112 -7.146 -9.727 1.00 18.01 C ATOM 512 CG ASP A 32 -4.013 -8.365 -10.578 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.746 -8.535 -11.544 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.071 -9.153 -10.317 1.00 26.29 O ATOM 0 H ASP A 32 -4.658 -5.298 -8.281 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.274 -7.151 -9.744 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.988 -6.256 -10.343 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.305 -7.142 -8.994 1.00 18.01 H new ATOM 519 N LYS A 33 -5.021 -8.356 -6.984 1.00 14.22 N ATOM 520 CA LYS A 33 -5.134 -9.335 -5.934 1.00 14.00 C ATOM 521 C LYS A 33 -6.522 -9.326 -5.232 1.00 12.37 C ATOM 522 O LYS A 33 -7.273 -10.312 -5.147 1.00 12.17 O ATOM 523 CB LYS A 33 -4.126 -9.097 -4.843 1.00 18.62 C ATOM 524 CG LYS A 33 -2.677 -9.330 -5.389 1.00 24.00 C ATOM 525 CD LYS A 33 -1.829 -10.425 -4.733 1.00 27.61 C ATOM 526 CE LYS A 33 -0.467 -10.590 -5.402 1.00 27.64 C ATOM 527 NZ LYS A 33 0.318 -11.645 -4.712 1.00 30.06 N ATOM 0 H LYS A 33 -4.291 -7.674 -6.780 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.972 -10.287 -6.439 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.221 -8.079 -4.465 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.320 -9.767 -4.006 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.753 -9.559 -6.452 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.133 -8.390 -5.303 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.686 -10.187 -3.679 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.368 -11.372 -4.775 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.599 -10.852 -6.452 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.077 -9.646 -5.375 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.930 -12.128 -5.400 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.905 -11.212 -3.970 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.331 -12.335 -4.282 1.00 30.06 H new ATOM 541 N GLU A 34 -6.904 -8.175 -4.785 1.00 10.11 N ATOM 542 CA GLU A 34 -7.916 -8.178 -3.736 1.00 10.07 C ATOM 543 C GLU A 34 -9.176 -7.482 -4.138 1.00 9.32 C ATOM 544 O GLU A 34 -10.206 -7.593 -3.475 1.00 11.61 O ATOM 545 CB GLU A 34 -7.304 -7.519 -2.493 1.00 14.77 C ATOM 546 CG GLU A 34 -6.322 -8.381 -1.657 1.00 18.75 C ATOM 547 CD GLU A 34 -6.907 -9.646 -1.171 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.781 -9.669 -0.234 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.570 -10.765 -1.634 1.00 21.95 O ATOM 0 H GLU A 34 -6.567 -7.263 -5.094 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.203 -9.209 -3.531 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.780 -6.617 -2.810 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.118 -7.202 -1.841 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.444 -8.606 -2.263 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.978 -7.798 -0.802 1.00 18.75 H new ATOM 556 N GLY A 35 -9.232 -6.919 -5.364 1.00 7.22 N ATOM 557 CA GLY A 35 -10.467 -6.381 -5.882 1.00 6.29 C ATOM 558 C GLY A 35 -10.985 -5.069 -5.276 1.00 6.93 C ATOM 559 O GLY A 35 -12.186 -4.876 -5.144 1.00 7.41 O ATOM 0 H GLY A 35 -8.434 -6.835 -5.994 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.343 -6.229 -6.954 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.241 -7.138 -5.755 1.00 6.29 H new ATOM 563 N ILE A 36 -10.076 -4.187 -4.852 1.00 5.86 N ATOM 564 CA ILE A 36 -10.465 -2.946 -4.091 1.00 6.07 C ATOM 565 C ILE A 36 -10.041 -1.692 -4.873 1.00 6.36 C ATOM 566 O ILE A 36 -8.857 -1.628 -5.272 1.00 6.18 O ATOM 567 CB ILE A 36 -9.700 -2.949 -2.766 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.930 -4.329 -2.073 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.007 -1.641 -1.918 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.116 -4.438 -0.738 1.00 9.49 C ATOM 0 H ILE A 36 -9.073 -4.286 -5.009 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.544 -2.936 -3.937 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.622 -2.874 -2.909 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.992 -4.462 -1.866 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.634 -5.132 -2.749 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.448 -1.674 -0.983 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.710 -0.760 -2.487 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.074 -1.590 -1.701 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.297 -5.410 -0.280 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.052 -4.330 -0.951 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.431 -3.650 -0.054 1.00 9.49 H new ATOM 582 N PRO A 37 -10.941 -0.719 -5.130 1.00 8.65 N ATOM 583 CA PRO A 37 -10.563 0.407 -5.954 1.00 9.18 C ATOM 584 C PRO A 37 -9.263 1.180 -5.476 1.00 9.85 C ATOM 585 O PRO A 37 -9.262 1.295 -4.235 1.00 8.51 O ATOM 586 CB PRO A 37 -11.789 1.368 -5.910 1.00 11.42 C ATOM 587 CG PRO A 37 -12.909 0.407 -5.643 1.00 9.27 C ATOM 588 CD PRO A 37 -12.394 -0.824 -4.865 1.00 8.33 C ATOM 0 HA PRO A 37 -10.310 0.047 -6.951 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.695 2.118 -5.124 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.924 1.905 -6.849 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.693 0.903 -5.071 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.355 0.088 -6.585 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.627 -0.770 -3.802 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.817 -1.757 -5.237 1.00 8.33 H new ATOM 596 N PRO A 38 -8.373 1.794 -6.240 1.00 8.71 N ATOM 597 CA PRO A 38 -7.124 2.334 -5.734 1.00 9.08 C ATOM 598 C PRO A 38 -7.407 3.663 -5.132 1.00 9.28 C ATOM 599 O PRO A 38 -6.476 4.232 -4.496 1.00 6.50 O ATOM 600 CB PRO A 38 -6.103 2.220 -6.888 1.00 10.31 C ATOM 601 CG PRO A 38 -6.950 2.070 -8.117 1.00 10.81 C ATOM 602 CD PRO A 38 -8.293 1.451 -7.678 1.00 12.00 C ATOM 0 HA PRO A 38 -6.657 1.797 -4.908 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.469 3.105 -6.947 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.443 1.363 -6.752 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.110 3.037 -8.593 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.455 1.433 -8.849 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.130 1.868 -8.238 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.309 0.373 -7.836 1.00 12.00 H new ATOM 610 N ASP A 39 -8.588 4.183 -5.315 1.00 11.20 N ATOM 611 CA ASP A 39 -9.009 5.393 -4.605 1.00 14.96 C ATOM 612 C ASP A 39 -9.634 5.053 -3.223 1.00 13.99 C ATOM 613 O ASP A 39 -9.886 5.980 -2.460 1.00 13.75 O ATOM 614 CB ASP A 39 -10.056 6.124 -5.460 1.00 24.16 C ATOM 615 CG ASP A 39 -10.169 7.551 -5.169 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.160 8.343 -5.298 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.270 8.023 -4.769 1.00 35.55 O ATOM 0 H ASP A 39 -9.289 3.799 -5.948 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.133 6.019 -4.438 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.803 5.997 -6.513 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.028 5.654 -5.307 1.00 24.16 H new ATOM 622 N GLN A 40 -9.961 3.792 -2.866 1.00 11.60 N ATOM 623 CA GLN A 40 -10.542 3.486 -1.614 1.00 10.76 C ATOM 624 C GLN A 40 -9.491 2.951 -0.683 1.00 8.01 C ATOM 625 O GLN A 40 -9.737 2.719 0.512 1.00 8.96 O ATOM 626 CB GLN A 40 -11.705 2.415 -1.683 1.00 11.14 C ATOM 627 CG GLN A 40 -12.917 3.135 -2.333 1.00 14.85 C ATOM 628 CD GLN A 40 -14.200 2.322 -2.210 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.737 1.703 -3.162 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.862 2.430 -1.020 1.00 18.16 N ATOM 0 H GLN A 40 -9.814 2.980 -3.466 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.973 4.422 -1.259 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.403 1.550 -2.274 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.957 2.049 -0.688 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.057 4.107 -1.860 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.706 3.321 -3.386 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.433 2.931 -0.242 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.785 2.010 -0.910 1.00 18.16 H new ATOM 639 N GLN A 41 -8.305 2.720 -1.266 1.00 6.52 N ATOM 640 CA GLN A 41 -7.193 2.131 -0.511 1.00 3.87 C ATOM 641 C GLN A 41 -6.449 3.300 0.223 1.00 4.79 C ATOM 642 O GLN A 41 -6.108 4.356 -0.335 1.00 6.34 O ATOM 643 CB GLN A 41 -6.238 1.456 -1.515 1.00 4.20 C ATOM 644 CG GLN A 41 -6.834 0.256 -2.232 1.00 3.20 C ATOM 645 CD GLN A 41 -5.743 -0.333 -3.158 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.593 -0.460 -2.762 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.102 -0.729 -4.396 1.00 7.13 N ATOM 0 H GLN A 41 -8.094 2.929 -2.242 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.542 1.395 0.213 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.930 2.192 -2.257 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.338 1.140 -0.987 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.168 -0.491 -1.512 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.708 0.553 -2.812 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.066 -0.615 -4.708 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.409 -1.143 -5.020 1.00 7.13 H new ATOM 656 N ARG A 42 -6.243 3.200 1.556 1.00 5.73 N ATOM 657 CA ARG A 42 -5.377 4.129 2.302 1.00 6.97 C ATOM 658 C ARG A 42 -4.242 3.324 3.028 1.00 7.15 C ATOM 659 O ARG A 42 -4.543 2.282 3.609 1.00 7.33 O ATOM 660 CB ARG A 42 -6.182 4.881 3.377 1.00 13.23 C ATOM 661 CG ARG A 42 -5.321 5.712 4.281 1.00 21.27 C ATOM 662 CD ARG A 42 -6.079 6.699 5.231 1.00 26.14 C ATOM 663 NE ARG A 42 -6.841 7.645 4.339 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.943 8.316 4.741 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.367 8.479 5.998 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.530 9.174 3.859 1.00 36.39 N ATOM 0 H ARG A 42 -6.670 2.478 2.137 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.956 4.840 1.591 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.915 5.524 2.890 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.739 4.160 3.976 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.717 5.042 4.893 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.632 6.289 3.665 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.756 6.159 5.893 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.379 7.242 5.866 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.509 7.786 3.385 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.839 8.074 6.771 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.219 9.008 6.184 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.136 9.295 2.926 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.363 9.695 4.132 1.00 36.39 H new ATOM 680 N LEU A 43 -2.952 3.695 3.009 1.00 4.65 N ATOM 681 CA LEU A 43 -1.876 2.808 3.489 1.00 3.51 C ATOM 682 C LEU A 43 -1.053 3.525 4.552 1.00 5.56 C ATOM 683 O LEU A 43 -0.539 4.600 4.264 1.00 4.19 O ATOM 684 CB LEU A 43 -0.840 2.467 2.390 1.00 3.74 C ATOM 685 CG LEU A 43 -1.380 1.662 1.142 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.235 1.366 0.156 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.047 0.339 1.510 1.00 6.41 C ATOM 0 H LEU A 43 -2.628 4.600 2.668 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.382 1.910 3.845 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.402 3.399 2.032 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.035 1.891 2.846 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.136 2.302 0.687 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.624 0.811 -0.698 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.200 2.304 -0.189 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.531 0.773 0.655 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.393 -0.158 0.604 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.329 -0.300 2.023 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.896 0.530 2.166 1.00 6.41 H new ATOM 699 N ILE A 44 -0.991 2.968 5.760 1.00 4.58 N ATOM 700 CA ILE A 44 -0.288 3.448 6.887 1.00 5.55 C ATOM 701 C ILE A 44 0.881 2.473 7.215 1.00 5.46 C ATOM 702 O ILE A 44 0.705 1.255 7.391 1.00 6.04 O ATOM 703 CB ILE A 44 -1.118 3.459 8.185 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.543 3.965 7.916 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.395 4.298 9.263 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.772 5.300 7.167 1.00 13.90 C ATOM 0 H ILE A 44 -1.482 2.097 5.964 1.00 4.58 H new ATOM 0 HA ILE A 44 0.014 4.460 6.618 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.211 2.440 8.562 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.060 3.187 7.354 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.043 4.047 8.881 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.987 4.302 10.178 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.584 3.864 9.466 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.272 5.321 8.906 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.842 5.486 7.074 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.309 6.114 7.725 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.326 5.241 6.174 1.00 13.90 H new ATOM 718 N PHE A 45 2.104 3.087 7.303 1.00 6.75 N ATOM 719 CA PHE A 45 3.355 2.374 7.597 1.00 4.70 C ATOM 720 C PHE A 45 4.184 3.274 8.450 1.00 6.34 C ATOM 721 O PHE A 45 4.378 4.443 8.158 1.00 5.45 O ATOM 722 CB PHE A 45 4.105 1.932 6.329 1.00 5.51 C ATOM 723 CG PHE A 45 5.403 1.264 6.661 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.389 0.060 7.295 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.602 1.945 6.400 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.626 -0.607 7.621 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.785 1.324 6.790 1.00 6.64 C ATOM 728 CZ PHE A 45 7.781 0.036 7.332 1.00 6.84 C ATOM 0 H PHE A 45 2.231 4.090 7.169 1.00 6.75 H new ATOM 0 HA PHE A 45 3.132 1.445 8.122 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.479 1.248 5.755 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.293 2.799 5.696 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.447 -0.399 7.556 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.607 2.911 5.917 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.630 -1.585 8.079 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.723 1.847 6.672 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.722 -0.458 7.525 1.00 6.84 H new ATOM 738 N ALA A 46 4.631 2.715 9.590 1.00 6.53 N ATOM 739 CA ALA A 46 5.356 3.458 10.654 1.00 7.15 C ATOM 740 C ALA A 46 4.636 4.587 11.388 1.00 9.00 C ATOM 741 O ALA A 46 5.200 5.594 11.804 1.00 11.15 O ATOM 742 CB ALA A 46 6.805 3.894 10.199 1.00 8.99 C ATOM 0 H ALA A 46 4.501 1.727 9.806 1.00 6.53 H new ATOM 0 HA ALA A 46 5.419 2.694 11.429 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.294 4.433 11.010 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.389 3.009 9.948 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.733 4.541 9.325 1.00 8.99 H new ATOM 748 N GLY A 47 3.295 4.408 11.519 1.00 9.35 N ATOM 749 CA GLY A 47 2.458 5.504 12.054 1.00 11.68 C ATOM 750 C GLY A 47 2.073 6.605 11.141 1.00 11.14 C ATOM 751 O GLY A 47 1.240 7.479 11.467 1.00 13.93 O ATOM 0 H GLY A 47 2.793 3.555 11.273 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.542 5.062 12.446 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.987 5.943 12.900 1.00 11.68 H new ATOM 755 N LYS A 48 2.594 6.571 9.940 1.00 10.47 N ATOM 756 CA LYS A 48 2.409 7.645 8.977 1.00 8.82 C ATOM 757 C LYS A 48 1.726 7.170 7.761 1.00 7.68 C ATOM 758 O LYS A 48 1.880 6.040 7.299 1.00 6.47 O ATOM 759 CB LYS A 48 3.763 8.288 8.338 1.00 9.74 C ATOM 760 CG LYS A 48 4.477 9.189 9.372 1.00 14.14 C ATOM 761 CD LYS A 48 5.419 10.216 8.700 1.00 16.32 C ATOM 762 CE LYS A 48 6.060 11.057 9.767 1.00 20.04 C ATOM 763 NZ LYS A 48 6.860 12.129 9.128 1.00 23.92 N ATOM 0 H LYS A 48 3.162 5.797 9.594 1.00 10.47 H new ATOM 0 HA LYS A 48 1.869 8.372 9.583 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.434 7.491 8.017 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.512 8.870 7.451 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.732 9.717 9.967 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.051 8.567 10.059 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.182 9.702 8.116 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.859 10.846 8.009 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.296 11.492 10.412 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.697 10.439 10.400 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.306 12.714 9.863 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.597 11.703 8.530 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.239 12.723 8.542 1.00 23.92 H new ATOM 777 N GLN A 49 0.861 8.109 7.205 1.00 8.89 N ATOM 778 CA GLN A 49 0.095 7.811 6.007 1.00 7.18 C ATOM 779 C GLN A 49 1.045 7.911 4.789 1.00 8.23 C ATOM 780 O GLN A 49 1.865 8.851 4.699 1.00 9.70 O ATOM 781 CB GLN A 49 -1.123 8.757 5.946 1.00 11.67 C ATOM 782 CG GLN A 49 -2.168 8.439 4.843 1.00 15.82 C ATOM 783 CD GLN A 49 -3.236 9.549 4.870 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.258 10.417 3.981 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.061 9.615 5.946 1.00 20.67 N ATOM 0 H GLN A 49 0.708 9.043 7.586 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.309 6.798 6.009 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.625 8.736 6.913 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.762 9.775 5.796 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.689 8.394 3.865 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.625 7.465 5.019 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.024 8.890 6.662 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.718 10.390 6.038 1.00 20.67 H new ATOM 794 N LEU A 50 1.011 6.965 3.832 1.00 6.51 N ATOM 795 CA LEU A 50 1.774 6.947 2.628 1.00 7.41 C ATOM 796 C LEU A 50 1.122 7.873 1.547 1.00 8.27 C ATOM 797 O LEU A 50 -0.071 8.276 1.619 1.00 8.34 O ATOM 798 CB LEU A 50 2.014 5.521 2.119 1.00 7.13 C ATOM 799 CG LEU A 50 2.673 4.587 3.142 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.955 3.169 2.537 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.983 5.075 3.813 1.00 9.11 C ATOM 0 H LEU A 50 0.401 6.151 3.911 1.00 6.51 H new ATOM 0 HA LEU A 50 2.762 7.352 2.849 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.060 5.091 1.814 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.642 5.566 1.229 1.00 7.13 H new ATOM 0 HG LEU A 50 1.918 4.563 3.928 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.422 2.537 3.293 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.016 2.717 2.216 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.623 3.265 1.681 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.338 4.318 4.512 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.741 5.247 3.049 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.792 6.004 4.351 1.00 9.11 H new ATOM 813 N GLU A 51 1.901 8.297 0.525 1.00 9.43 N ATOM 814 CA GLU A 51 1.571 9.247 -0.466 1.00 11.90 C ATOM 815 C GLU A 51 1.983 8.774 -1.846 1.00 11.49 C ATOM 816 O GLU A 51 3.072 8.358 -2.183 1.00 9.88 O ATOM 817 CB GLU A 51 2.215 10.661 -0.043 1.00 16.56 C ATOM 818 CG GLU A 51 1.840 11.881 -0.943 1.00 26.06 C ATOM 819 CD GLU A 51 0.410 12.153 -1.292 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.438 12.179 -0.370 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.134 12.430 -2.511 1.00 32.13 O ATOM 0 H GLU A 51 2.844 7.931 0.397 1.00 9.43 H new ATOM 0 HA GLU A 51 0.490 9.374 -0.531 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.913 10.884 0.980 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.300 10.557 -0.040 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.228 12.774 -0.453 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.385 11.770 -1.880 1.00 26.06 H new ATOM 828 N ASP A 52 0.994 8.802 -2.760 1.00 12.71 N ATOM 829 CA ASP A 52 0.921 8.171 -4.073 1.00 16.56 C ATOM 830 C ASP A 52 2.113 8.285 -4.941 1.00 15.83 C ATOM 831 O ASP A 52 2.584 7.260 -5.441 1.00 17.21 O ATOM 832 CB ASP A 52 -0.309 8.830 -4.758 1.00 21.05 C ATOM 833 CG ASP A 52 -1.595 8.571 -4.039 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.835 9.161 -2.954 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.402 7.738 -4.471 1.00 25.82 O ATOM 0 H ASP A 52 0.140 9.326 -2.566 1.00 12.71 H new ATOM 0 HA ASP A 52 0.846 7.094 -3.926 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.147 9.906 -4.823 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.390 8.458 -5.779 1.00 21.05 H new ATOM 840 N GLY A 53 2.653 9.523 -5.141 1.00 15.00 N ATOM 841 CA GLY A 53 3.717 9.733 -6.147 1.00 11.77 C ATOM 842 C GLY A 53 5.081 9.526 -5.644 1.00 11.10 C ATOM 843 O GLY A 53 6.046 9.719 -6.378 1.00 11.25 O ATOM 0 H GLY A 53 2.374 10.362 -4.632 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.546 9.057 -6.985 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.637 10.748 -6.535 1.00 11.77 H new ATOM 847 N ARG A 54 5.180 9.106 -4.364 1.00 8.53 N ATOM 848 CA ARG A 54 6.436 8.808 -3.703 1.00 9.05 C ATOM 849 C ARG A 54 6.664 7.312 -3.844 1.00 8.96 C ATOM 850 O ARG A 54 5.706 6.584 -4.129 1.00 11.60 O ATOM 851 CB ARG A 54 6.486 9.161 -2.206 1.00 7.97 C ATOM 852 CG ARG A 54 6.113 10.656 -2.038 1.00 9.62 C ATOM 853 CD ARG A 54 6.677 11.237 -0.728 1.00 12.20 C ATOM 854 NE ARG A 54 6.061 12.506 -0.416 1.00 18.23 N ATOM 855 CZ ARG A 54 6.339 13.294 0.647 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.244 12.935 1.535 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.914 14.533 0.691 1.00 23.38 N ATOM 0 H ARG A 54 4.366 8.967 -3.765 1.00 8.53 H new ATOM 0 HA ARG A 54 7.201 9.423 -4.178 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.793 8.533 -1.646 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.482 8.972 -1.806 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.498 11.225 -2.884 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.028 10.764 -2.048 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.506 10.535 0.088 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.756 11.365 -0.818 1.00 12.20 H new ATOM 0 HE ARG A 54 5.346 12.841 -1.061 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.745 12.053 1.425 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.444 13.539 2.332 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.367 14.912 -0.082 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.130 15.118 1.498 1.00 23.38 H new ATOM 871 N THR A 55 7.920 6.903 -3.752 1.00 9.05 N ATOM 872 CA THR A 55 8.358 5.491 -3.907 1.00 9.03 C ATOM 873 C THR A 55 8.634 4.812 -2.594 1.00 8.15 C ATOM 874 O THR A 55 8.813 5.469 -1.549 1.00 5.91 O ATOM 875 CB THR A 55 9.529 5.286 -4.845 1.00 11.15 C ATOM 876 OG1 THR A 55 10.765 5.799 -4.317 1.00 11.95 O ATOM 877 CG2 THR A 55 9.279 6.074 -6.147 1.00 11.71 C ATOM 0 H THR A 55 8.692 7.543 -3.564 1.00 9.05 H new ATOM 0 HA THR A 55 7.494 5.018 -4.374 1.00 9.03 H new ATOM 0 HB THR A 55 9.611 4.210 -4.998 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.682 6.764 -4.170 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.119 5.930 -6.826 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.365 5.715 -6.620 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.176 7.134 -5.917 1.00 11.71 H new ATOM 885 N LEU A 56 8.678 3.457 -2.571 1.00 6.91 N ATOM 886 CA LEU A 56 9.008 2.632 -1.400 1.00 8.29 C ATOM 887 C LEU A 56 10.336 3.032 -0.795 1.00 8.05 C ATOM 888 O LEU A 56 10.512 3.021 0.437 1.00 10.17 O ATOM 889 CB LEU A 56 9.038 1.159 -1.839 1.00 6.60 C ATOM 890 CG LEU A 56 7.699 0.566 -2.422 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.059 -0.833 -2.929 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.625 0.636 -1.314 1.00 8.64 C ATOM 0 H LEU A 56 8.477 2.897 -3.399 1.00 6.91 H new ATOM 0 HA LEU A 56 8.250 2.781 -0.631 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.817 1.044 -2.593 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.333 0.554 -0.981 1.00 6.60 H new ATOM 0 HG LEU A 56 7.267 1.112 -3.261 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.172 -1.307 -3.350 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.828 -0.755 -3.698 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.434 -1.435 -2.101 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.686 0.231 -1.691 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.952 0.053 -0.453 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.478 1.674 -1.015 1.00 8.64 H new ATOM 904 N SER A 57 11.317 3.321 -1.646 1.00 8.92 N ATOM 905 CA SER A 57 12.625 3.867 -1.289 1.00 9.00 C ATOM 906 C SER A 57 12.560 5.201 -0.459 1.00 9.44 C ATOM 907 O SER A 57 13.317 5.334 0.489 1.00 10.91 O ATOM 908 CB SER A 57 13.509 4.062 -2.608 1.00 10.32 C ATOM 909 OG SER A 57 13.839 2.760 -3.044 1.00 13.59 O ATOM 0 H SER A 57 11.218 3.174 -2.650 1.00 8.92 H new ATOM 0 HA SER A 57 13.094 3.138 -0.628 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.954 4.602 -3.375 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.407 4.643 -2.395 1.00 10.32 H new ATOM 0 HG SER A 57 13.122 2.415 -3.616 1.00 13.59 H new ATOM 915 N ASP A 58 11.597 6.076 -0.834 1.00 9.11 N ATOM 916 CA ASP A 58 11.437 7.391 -0.183 1.00 7.91 C ATOM 917 C ASP A 58 10.999 7.187 1.270 1.00 9.12 C ATOM 918 O ASP A 58 11.350 8.012 2.113 1.00 8.61 O ATOM 919 CB ASP A 58 10.517 8.275 -1.001 1.00 8.41 C ATOM 920 CG ASP A 58 11.027 8.592 -2.300 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.174 9.022 -2.414 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.364 8.248 -3.305 1.00 11.70 O ATOM 0 H ASP A 58 10.925 5.894 -1.579 1.00 9.11 H new ATOM 0 HA ASP A 58 12.387 7.925 -0.144 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.553 7.778 -1.110 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.338 9.201 -0.455 1.00 8.41 H new ATOM 927 N TYR A 59 10.286 6.048 1.575 1.00 7.97 N ATOM 928 CA TYR A 59 9.839 5.767 2.950 1.00 8.45 C ATOM 929 C TYR A 59 10.823 4.840 3.608 1.00 10.98 C ATOM 930 O TYR A 59 10.644 4.528 4.817 1.00 12.95 O ATOM 931 CB TYR A 59 8.501 5.023 2.847 1.00 7.94 C ATOM 932 CG TYR A 59 7.384 5.974 2.373 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.003 7.039 3.247 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.837 5.839 1.104 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.960 7.901 2.823 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.857 6.762 0.687 1.00 6.52 C ATOM 937 CZ TYR A 59 5.469 7.754 1.572 1.00 6.76 C ATOM 938 OH TYR A 59 4.645 8.737 1.109 1.00 7.63 O ATOM 0 H TYR A 59 10.024 5.338 0.891 1.00 7.97 H new ATOM 0 HA TYR A 59 9.752 6.691 3.521 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.595 4.189 2.151 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.239 4.600 3.817 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.493 7.182 4.199 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.156 5.042 0.449 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.567 8.658 3.485 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.419 6.697 -0.298 1.00 6.52 H new ATOM 0 HH TYR A 59 4.891 9.591 1.521 1.00 7.63 H new ATOM 948 N ASN A 60 11.910 4.293 2.958 1.00 12.38 N ATOM 949 CA ASN A 60 12.893 3.314 3.407 1.00 13.94 C ATOM 950 C ASN A 60 12.201 1.971 3.727 1.00 14.16 C ATOM 951 O ASN A 60 12.432 1.184 4.739 1.00 14.26 O ATOM 952 CB ASN A 60 13.768 3.961 4.514 1.00 19.23 C ATOM 953 CG ASN A 60 15.023 3.139 4.781 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.812 2.805 3.879 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.177 2.549 6.020 1.00 24.09 N ATOM 0 H ASN A 60 12.114 4.580 2.001 1.00 12.38 H new ATOM 0 HA ASN A 60 13.603 3.036 2.628 1.00 13.94 H new ATOM 0 HB2 ASN A 60 14.049 4.971 4.214 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.188 4.051 5.432 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.918 1.865 6.171 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.549 2.797 6.785 1.00 24.09 H new ATOM 962 N ILE A 61 11.302 1.549 2.783 1.00 11.08 N ATOM 963 CA ILE A 61 10.567 0.282 2.872 1.00 11.78 C ATOM 964 C ILE A 61 11.426 -0.850 2.142 1.00 13.74 C ATOM 965 O ILE A 61 11.865 -0.654 1.032 1.00 14.60 O ATOM 966 CB ILE A 61 9.175 0.350 2.271 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.271 1.360 2.997 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.513 -1.050 2.194 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.974 1.838 2.264 1.00 11.42 C ATOM 0 H ILE A 61 11.080 2.090 1.947 1.00 11.08 H new ATOM 0 HA ILE A 61 10.427 0.051 3.928 1.00 11.78 H new ATOM 0 HB ILE A 61 9.297 0.713 1.250 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.975 0.920 3.949 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.870 2.241 3.226 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.518 -0.959 1.758 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.122 -1.707 1.573 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.433 -1.470 3.197 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.439 2.547 2.896 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.244 2.321 1.325 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.334 0.979 2.059 1.00 11.42 H new ATOM 981 N GLN A 62 11.651 -1.936 2.852 1.00 13.97 N ATOM 982 CA GLN A 62 12.543 -2.953 2.445 1.00 15.52 C ATOM 983 C GLN A 62 11.771 -4.279 2.459 1.00 13.94 C ATOM 984 O GLN A 62 10.589 -4.336 2.667 1.00 12.15 O ATOM 985 CB GLN A 62 13.706 -3.043 3.489 1.00 19.53 C ATOM 986 CG GLN A 62 14.418 -1.697 3.763 1.00 26.38 C ATOM 987 CD GLN A 62 15.411 -1.892 4.858 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.215 -1.457 5.987 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.486 -2.644 4.525 1.00 32.71 N ATOM 0 H GLN A 62 11.198 -2.122 3.747 1.00 13.97 H new ATOM 0 HA GLN A 62 12.946 -2.746 1.454 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.308 -3.428 4.428 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.442 -3.765 3.135 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.916 -1.343 2.860 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.690 -0.936 4.045 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.597 -2.979 3.568 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.185 -2.876 5.231 1.00 32.71 H new ATOM 998 N LYS A 63 12.468 -5.307 2.105 1.00 11.73 N ATOM 999 CA LYS A 63 11.962 -6.678 2.063 1.00 11.97 C ATOM 1000 C LYS A 63 11.240 -7.223 3.331 1.00 10.41 C ATOM 1001 O LYS A 63 11.660 -7.089 4.511 1.00 9.59 O ATOM 1002 CB LYS A 63 13.168 -7.646 1.778 1.00 13.73 C ATOM 1003 CG LYS A 63 14.221 -7.873 2.912 1.00 16.98 C ATOM 1004 CD LYS A 63 15.466 -8.811 2.553 1.00 20.19 C ATOM 1005 CE LYS A 63 16.375 -8.335 1.383 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.774 -6.953 1.543 1.00 25.97 N ATOM 0 H LYS A 63 13.445 -5.234 1.822 1.00 11.73 H new ATOM 0 HA LYS A 63 11.199 -6.645 1.286 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.757 -8.618 1.507 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.698 -7.269 0.903 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.604 -6.901 3.221 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.708 -8.302 3.773 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.084 -8.916 3.445 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.087 -9.804 2.310 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.262 -8.966 1.331 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.844 -8.453 0.438 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.406 -6.682 0.763 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.930 -6.345 1.533 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.273 -6.838 2.448 1.00 25.97 H new ATOM 1020 N GLU A 64 10.070 -7.798 3.125 1.00 10.04 N ATOM 1021 CA GLU A 64 9.200 -8.366 4.106 1.00 10.94 C ATOM 1022 C GLU A 64 8.792 -7.385 5.225 1.00 9.74 C ATOM 1023 O GLU A 64 9.036 -7.650 6.385 1.00 9.42 O ATOM 1024 CB GLU A 64 9.785 -9.756 4.472 1.00 18.31 C ATOM 1025 CG GLU A 64 9.856 -10.750 3.255 1.00 24.16 C ATOM 1026 CD GLU A 64 10.414 -12.107 3.672 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.596 -12.235 3.905 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.589 -13.107 3.739 1.00 31.72 O ATOM 0 H GLU A 64 9.683 -7.880 2.185 1.00 10.04 H new ATOM 0 HA GLU A 64 8.197 -8.557 3.724 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.787 -9.623 4.881 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.176 -10.201 5.259 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.860 -10.880 2.832 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.482 -10.323 2.472 1.00 24.16 H new ATOM 1035 N SER A 65 8.211 -6.241 4.720 1.00 6.85 N ATOM 1036 CA SER A 65 7.666 -5.158 5.504 1.00 6.90 C ATOM 1037 C SER A 65 6.201 -5.079 5.251 1.00 4.72 C ATOM 1038 O SER A 65 5.782 -5.404 4.145 1.00 3.91 O ATOM 1039 CB SER A 65 8.391 -3.824 5.215 1.00 7.28 C ATOM 1040 OG SER A 65 8.218 -2.937 6.250 1.00 10.56 O ATOM 0 H SER A 65 8.125 -6.078 3.717 1.00 6.85 H new ATOM 0 HA SER A 65 7.828 -5.354 6.564 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.454 -4.009 5.063 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.008 -3.390 4.291 1.00 7.28 H new ATOM 0 HG SER A 65 7.435 -2.375 6.072 1.00 10.56 H new ATOM 1046 N THR A 66 5.473 -4.800 6.323 1.00 4.48 N ATOM 1047 CA THR A 66 3.999 -4.954 6.277 1.00 3.80 C ATOM 1048 C THR A 66 3.381 -3.578 6.313 1.00 4.60 C ATOM 1049 O THR A 66 3.607 -2.840 7.247 1.00 5.33 O ATOM 1050 CB THR A 66 3.426 -5.780 7.399 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.995 -7.124 7.465 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.911 -5.950 7.156 1.00 3.40 C ATOM 0 H THR A 66 5.849 -4.476 7.214 1.00 4.48 H new ATOM 0 HA THR A 66 3.764 -5.491 5.358 1.00 3.80 H new ATOM 0 HB THR A 66 3.655 -5.258 8.328 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.590 -7.615 8.210 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.478 -6.546 7.959 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.434 -4.970 7.134 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.750 -6.454 6.203 1.00 3.40 H new ATOM 1060 N LEU A 67 2.539 -3.252 5.338 1.00 4.17 N ATOM 1061 CA LEU A 67 1.875 -2.000 5.155 1.00 3.85 C ATOM 1062 C LEU A 67 0.461 -2.254 5.605 1.00 3.80 C ATOM 1063 O LEU A 67 -0.134 -3.277 5.346 1.00 5.54 O ATOM 1064 CB LEU A 67 1.940 -1.465 3.745 1.00 7.18 C ATOM 1065 CG LEU A 67 3.340 -1.477 3.078 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.211 -0.817 1.731 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.476 -0.675 3.847 1.00 11.66 C ATOM 0 H LEU A 67 2.295 -3.920 4.607 1.00 4.17 H new ATOM 0 HA LEU A 67 2.365 -1.215 5.731 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.259 -2.047 3.125 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.570 -0.440 3.749 1.00 7.18 H new ATOM 0 HG LEU A 67 3.641 -2.524 3.057 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.182 -0.810 1.235 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.496 -1.370 1.122 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.862 0.207 1.860 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.412 -0.750 3.294 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.187 0.373 3.933 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.609 -1.097 4.843 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.177 -1.249 6.396 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.524 -1.404 6.920 1.00 4.17 C ATOM 1081 C HIS A 68 -2.414 -0.747 5.940 1.00 5.32 C ATOM 1082 O HIS A 68 -2.257 0.434 5.640 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.759 -0.906 8.381 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.773 -1.653 9.278 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.509 -1.181 9.481 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.918 -2.799 9.996 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.069 -2.047 10.398 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.254 -3.047 10.733 1.00 16.30 N ATOM 0 H HIS A 68 0.265 -0.364 6.644 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.737 -2.468 7.027 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.602 0.170 8.450 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.785 -1.100 8.693 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.947 -0.368 9.047 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.799 -3.424 10.000 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.063 -1.927 10.802 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.331 -1.558 5.374 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.329 -1.154 4.437 1.00 3.97 C ATOM 1098 C LEU A 69 -5.605 -1.109 5.276 1.00 5.07 C ATOM 1099 O LEU A 69 -6.082 -2.127 5.807 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.496 -2.194 3.321 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.743 -2.033 2.423 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.954 -0.761 1.683 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.761 -3.269 1.518 1.00 9.96 C ATOM 0 H LEU A 69 -3.374 -2.555 5.586 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.081 -0.210 3.952 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.610 -2.162 2.687 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.527 -3.184 3.776 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.602 -1.960 3.090 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.876 -0.825 1.105 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.026 0.064 2.391 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.115 -0.589 1.009 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.623 -3.220 0.852 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.846 -3.300 0.926 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.827 -4.168 2.131 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.219 0.100 5.229 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.537 0.371 5.762 1.00 6.26 C ATOM 1117 C VAL A 70 -8.380 1.124 4.653 1.00 9.22 C ATOM 1118 O VAL A 70 -7.790 1.671 3.684 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.463 1.294 7.050 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.005 0.473 8.248 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.603 2.598 6.894 1.00 8.54 C ATOM 0 H VAL A 70 -5.784 0.919 4.805 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.999 -0.576 6.041 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.477 1.661 7.208 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.956 1.112 9.130 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.712 -0.337 8.426 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.018 0.056 8.047 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.617 3.157 7.829 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.576 2.329 6.648 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.018 3.214 6.096 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.703 1.057 4.775 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.497 1.520 3.651 1.00 16.06 C ATOM 1133 C LEU A 71 -11.092 2.866 3.860 1.00 18.09 C ATOM 1134 O LEU A 71 -11.294 3.371 4.951 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.580 0.481 3.273 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.917 -0.905 2.827 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.034 -1.954 2.691 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.082 -0.755 1.552 1.00 19.57 C ATOM 0 H LEU A 71 -10.218 0.711 5.585 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.807 1.626 2.814 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.241 0.314 4.123 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.195 0.871 2.462 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.212 -1.240 3.588 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.602 -2.908 2.387 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.540 -2.073 3.649 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.752 -1.625 1.940 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.650 -1.719 1.284 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.718 -0.404 0.739 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.282 -0.034 1.723 1.00 19.57 H new