USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 631 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 43 ASN : amide:sc= -4.5! C(o=-8.2!,f=-12!) USER MOD Set 1.2: A 48 SER OG : rot -90:sc= -3.73! USER MOD Single : A 15 ASN : amide:sc= -0.0595 K(o=-0.06,f=-1.8!) USER MOD Single : A 17 GLN : amide:sc= -5.65! C(o=-5.7!,f=-7.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 133:sc= -0.0179 (180deg=-0.497) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.331 USER MOD Single : A 24 TYR OH : rot 154:sc= -0.409 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-5.3!) USER MOD Single : A 28 ASN : amide:sc= -2.7! C(o=-2.7!,f=-8.9!) USER MOD Single : A 33 ASN : amide:sc= -0.0285 K(o=-0.029,f=-1.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 8:sc= 0.0134 USER MOD Single : A 39 ASN : amide:sc= -3.89! C(o=-3.9!,f=-3.4!) USER MOD Single : A 52 TYR OH : rot 15:sc= -1.72! USER MOD Single : A 54 ASN : amide:sc= -1.09 K(o=-1.1,f=-9.3!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.85) USER MOD Single : A 60 SER OG : rot 180:sc= -0.303 USER MOD Single : A 62 THR OG1 : rot -104:sc= 1.13 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -103:sc= 0.448 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.0469 (180deg=-0.46) USER MOD Single : A 79 MET CE :methyl -112:sc= 0 (180deg=-0.0322) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -9.134 11.104 -11.348 1.00 0.00 N ATOM 12 CA PHE A 13 -9.856 10.247 -10.360 1.00 0.00 C ATOM 13 C PHE A 13 -8.875 9.252 -9.733 1.00 0.00 C ATOM 14 O PHE A 13 -8.862 9.037 -8.536 1.00 0.00 O ATOM 15 CB PHE A 13 -10.970 9.476 -11.070 1.00 0.00 C ATOM 16 CG PHE A 13 -11.792 8.729 -10.044 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.642 9.436 -9.185 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.704 7.334 -9.951 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.401 8.750 -8.230 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.463 6.648 -8.994 1.00 0.00 C ATOM 21 CZ PHE A 13 -13.312 7.356 -8.135 1.00 0.00 C ATOM 0 HA PHE A 13 -10.286 10.877 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.604 10.163 -11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.543 8.777 -11.790 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.712 10.511 -9.259 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.052 6.788 -10.616 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.055 9.296 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.393 5.573 -8.919 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.899 6.827 -7.399 1.00 0.00 H new ATOM 31 N PHE A 14 -8.059 8.642 -10.547 1.00 0.00 N ATOM 32 CA PHE A 14 -7.067 7.650 -10.034 1.00 0.00 C ATOM 33 C PHE A 14 -6.052 8.361 -9.138 1.00 0.00 C ATOM 34 O PHE A 14 -5.616 7.836 -8.133 1.00 0.00 O ATOM 35 CB PHE A 14 -6.333 7.005 -11.222 1.00 0.00 C ATOM 36 CG PHE A 14 -7.165 5.874 -11.786 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.467 6.122 -12.237 1.00 0.00 C ATOM 38 CD2 PHE A 14 -6.638 4.576 -11.850 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.241 5.076 -12.749 1.00 0.00 C ATOM 40 CE2 PHE A 14 -7.413 3.532 -12.361 1.00 0.00 C ATOM 41 CZ PHE A 14 -8.714 3.781 -12.811 1.00 0.00 C ATOM 0 H PHE A 14 -8.035 8.789 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.584 6.881 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.146 7.751 -11.994 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.362 6.629 -10.900 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.874 7.121 -12.189 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.633 4.383 -11.504 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.245 5.267 -13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.008 2.532 -12.409 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.312 2.973 -13.206 1.00 0.00 H new ATOM 51 N ASN A 15 -5.674 9.552 -9.502 1.00 0.00 N ATOM 52 CA ASN A 15 -4.682 10.306 -8.685 1.00 0.00 C ATOM 53 C ASN A 15 -5.255 10.542 -7.284 1.00 0.00 C ATOM 54 O ASN A 15 -4.564 10.423 -6.291 1.00 0.00 O ATOM 55 CB ASN A 15 -4.399 11.657 -9.353 1.00 0.00 C ATOM 56 CG ASN A 15 -3.578 11.441 -10.629 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.946 10.418 -10.789 1.00 0.00 O ATOM 58 ND2 ASN A 15 -3.560 12.370 -11.548 1.00 0.00 N ATOM 0 H ASN A 15 -6.010 10.039 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.757 9.734 -8.610 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.337 12.158 -9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.857 12.307 -8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.015 12.235 -12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.091 13.230 -11.414 1.00 0.00 H new ATOM 65 N GLU A 16 -6.518 10.868 -7.201 1.00 0.00 N ATOM 66 CA GLU A 16 -7.148 11.107 -5.866 1.00 0.00 C ATOM 67 C GLU A 16 -7.074 9.825 -5.031 1.00 0.00 C ATOM 68 O GLU A 16 -6.653 9.830 -3.891 1.00 0.00 O ATOM 69 CB GLU A 16 -8.622 11.488 -6.062 1.00 0.00 C ATOM 70 CG GLU A 16 -8.716 12.870 -6.714 1.00 0.00 C ATOM 71 CD GLU A 16 -10.182 13.224 -6.989 1.00 0.00 C ATOM 72 OE1 GLU A 16 -11.038 12.410 -6.682 1.00 0.00 O ATOM 73 OE2 GLU A 16 -10.422 14.306 -7.501 1.00 0.00 O ATOM 0 H GLU A 16 -7.142 10.980 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.620 11.912 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.119 10.746 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.137 11.493 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.269 13.620 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.150 12.880 -7.646 1.00 0.00 H new ATOM 80 N GLN A 17 -7.479 8.726 -5.606 1.00 0.00 N ATOM 81 CA GLN A 17 -7.443 7.423 -4.874 1.00 0.00 C ATOM 82 C GLN A 17 -5.987 7.005 -4.646 1.00 0.00 C ATOM 83 O GLN A 17 -5.649 6.394 -3.651 1.00 0.00 O ATOM 84 CB GLN A 17 -8.150 6.361 -5.720 1.00 0.00 C ATOM 85 CG GLN A 17 -9.631 6.723 -5.865 1.00 0.00 C ATOM 86 CD GLN A 17 -10.307 5.749 -6.830 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.686 5.261 -7.752 1.00 0.00 O ATOM 88 NE2 GLN A 17 -11.566 5.452 -6.662 1.00 0.00 N ATOM 0 H GLN A 17 -7.837 8.672 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.944 7.525 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.683 6.294 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.049 5.382 -5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.121 6.686 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.731 7.744 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.088 5.862 -5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.029 4.810 -7.305 1.00 0.00 H new ATOM 97 N LYS A 18 -5.128 7.332 -5.574 1.00 0.00 N ATOM 98 CA LYS A 18 -3.686 6.966 -5.447 1.00 0.00 C ATOM 99 C LYS A 18 -3.085 7.645 -4.211 1.00 0.00 C ATOM 100 O LYS A 18 -2.361 7.042 -3.445 1.00 0.00 O ATOM 101 CB LYS A 18 -2.938 7.445 -6.697 1.00 0.00 C ATOM 102 CG LYS A 18 -1.463 7.040 -6.613 1.00 0.00 C ATOM 103 CD LYS A 18 -0.728 7.493 -7.881 1.00 0.00 C ATOM 104 CE LYS A 18 0.753 7.127 -7.774 1.00 0.00 C ATOM 105 NZ LYS A 18 1.468 7.553 -9.012 1.00 0.00 N ATOM 0 H LYS A 18 -5.366 7.843 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.593 5.885 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.392 7.014 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.022 8.528 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.002 7.490 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.379 5.959 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.168 7.018 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.838 8.569 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.195 7.611 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.862 6.052 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.474 7.302 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.053 7.072 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.376 8.582 -9.130 1.00 0.00 H new ATOM 119 N GLU A 19 -3.380 8.904 -4.028 1.00 0.00 N ATOM 120 CA GLU A 19 -2.832 9.655 -2.857 1.00 0.00 C ATOM 121 C GLU A 19 -3.425 9.105 -1.552 1.00 0.00 C ATOM 122 O GLU A 19 -2.747 8.992 -0.548 1.00 0.00 O ATOM 123 CB GLU A 19 -3.206 11.137 -2.997 1.00 0.00 C ATOM 124 CG GLU A 19 -2.440 11.746 -4.176 1.00 0.00 C ATOM 125 CD GLU A 19 -2.854 13.208 -4.381 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.672 13.689 -3.614 1.00 0.00 O ATOM 127 OE2 GLU A 19 -2.342 13.823 -5.304 1.00 0.00 O ATOM 0 H GLU A 19 -3.982 9.450 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.748 9.541 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.280 11.239 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.967 11.672 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.367 11.687 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.639 11.174 -5.082 1.00 0.00 H new ATOM 134 N LYS A 20 -4.689 8.778 -1.563 1.00 0.00 N ATOM 135 CA LYS A 20 -5.353 8.249 -0.331 1.00 0.00 C ATOM 136 C LYS A 20 -4.727 6.914 0.088 1.00 0.00 C ATOM 137 O LYS A 20 -4.494 6.664 1.254 1.00 0.00 O ATOM 138 CB LYS A 20 -6.844 8.034 -0.610 1.00 0.00 C ATOM 139 CG LYS A 20 -7.542 9.385 -0.768 1.00 0.00 C ATOM 140 CD LYS A 20 -9.027 9.167 -1.076 1.00 0.00 C ATOM 141 CE LYS A 20 -9.739 10.522 -1.141 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.170 11.331 -2.256 1.00 0.00 N ATOM 0 H LYS A 20 -5.297 8.854 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.220 8.972 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.972 7.440 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.299 7.473 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.432 9.971 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.074 9.955 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.139 8.639 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.481 8.542 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.808 10.376 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.621 11.052 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.944 11.741 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.582 12.095 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.587 10.722 -2.864 1.00 0.00 H new ATOM 156 N VAL A 21 -4.465 6.056 -0.855 1.00 0.00 N ATOM 157 CA VAL A 21 -3.866 4.731 -0.523 1.00 0.00 C ATOM 158 C VAL A 21 -2.452 4.927 0.031 1.00 0.00 C ATOM 159 O VAL A 21 -2.050 4.283 0.980 1.00 0.00 O ATOM 160 CB VAL A 21 -3.808 3.865 -1.783 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.065 2.563 -1.477 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.234 3.537 -2.237 1.00 0.00 C ATOM 0 H VAL A 21 -4.640 6.214 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.481 4.236 0.229 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.284 4.406 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.025 1.947 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.051 2.791 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.589 2.022 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.197 2.920 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.752 2.996 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.769 4.462 -2.454 1.00 0.00 H new ATOM 172 N THR A 22 -1.694 5.807 -0.564 1.00 0.00 N ATOM 173 CA THR A 22 -0.298 6.045 -0.088 1.00 0.00 C ATOM 174 C THR A 22 -0.319 6.528 1.367 1.00 0.00 C ATOM 175 O THR A 22 0.427 6.052 2.202 1.00 0.00 O ATOM 176 CB THR A 22 0.359 7.121 -0.963 1.00 0.00 C ATOM 177 OG1 THR A 22 0.449 6.653 -2.303 1.00 0.00 O ATOM 178 CG2 THR A 22 1.761 7.439 -0.433 1.00 0.00 C ATOM 0 H THR A 22 -1.981 6.374 -1.362 1.00 0.00 H new ATOM 0 HA THR A 22 0.266 5.115 -0.153 1.00 0.00 H new ATOM 0 HB THR A 22 -0.247 8.027 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.431 6.715 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.222 8.203 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.689 7.804 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.371 6.536 -0.454 1.00 0.00 H new ATOM 186 N LEU A 23 -1.167 7.469 1.670 1.00 0.00 N ATOM 187 CA LEU A 23 -1.249 7.995 3.067 1.00 0.00 C ATOM 188 C LEU A 23 -1.730 6.886 4.008 1.00 0.00 C ATOM 189 O LEU A 23 -1.253 6.740 5.117 1.00 0.00 O ATOM 190 CB LEU A 23 -2.243 9.162 3.114 1.00 0.00 C ATOM 191 CG LEU A 23 -2.277 9.779 4.523 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.895 10.360 4.879 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.332 10.895 4.566 1.00 0.00 C ATOM 0 H LEU A 23 -1.812 7.901 1.009 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.263 8.337 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.959 9.920 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.238 8.812 2.839 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.533 9.005 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.929 10.794 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.149 9.566 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.628 11.132 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.358 11.333 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.077 11.665 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.311 10.480 4.327 1.00 0.00 H new ATOM 205 N TYR A 24 -2.684 6.115 3.571 1.00 0.00 N ATOM 206 CA TYR A 24 -3.223 5.017 4.425 1.00 0.00 C ATOM 207 C TYR A 24 -2.103 4.032 4.774 1.00 0.00 C ATOM 208 O TYR A 24 -1.969 3.596 5.902 1.00 0.00 O ATOM 209 CB TYR A 24 -4.327 4.278 3.659 1.00 0.00 C ATOM 210 CG TYR A 24 -4.750 3.056 4.441 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.561 3.198 5.570 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.316 1.785 4.042 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.940 2.068 6.304 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.697 0.655 4.774 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.508 0.797 5.905 1.00 0.00 C ATOM 216 OH TYR A 24 -5.881 -0.318 6.627 1.00 0.00 O ATOM 0 H TYR A 24 -3.118 6.197 2.652 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.629 5.440 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.181 4.937 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.967 3.985 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.895 4.178 5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.688 1.678 3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.565 2.176 7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.365 -0.326 4.466 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.879 -1.103 6.041 1.00 0.00 H new ATOM 226 N LEU A 25 -1.311 3.671 3.808 1.00 0.00 N ATOM 227 CA LEU A 25 -0.204 2.700 4.057 1.00 0.00 C ATOM 228 C LEU A 25 0.806 3.284 5.044 1.00 0.00 C ATOM 229 O LEU A 25 1.294 2.605 5.924 1.00 0.00 O ATOM 230 CB LEU A 25 0.524 2.421 2.741 1.00 0.00 C ATOM 231 CG LEU A 25 -0.386 1.635 1.789 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.244 1.617 0.392 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.567 0.187 2.292 1.00 0.00 C ATOM 0 H LEU A 25 -1.380 4.007 2.848 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.630 1.785 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.824 3.360 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.436 1.856 2.934 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.363 2.117 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.398 1.059 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.356 2.639 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.223 1.140 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.215 -0.358 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.404 -0.305 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.018 0.200 3.284 1.00 0.00 H new ATOM 245 N LYS A 26 1.132 4.532 4.890 1.00 0.00 N ATOM 246 CA LYS A 26 2.132 5.164 5.801 1.00 0.00 C ATOM 247 C LYS A 26 1.617 5.158 7.242 1.00 0.00 C ATOM 248 O LYS A 26 2.357 4.925 8.178 1.00 0.00 O ATOM 249 CB LYS A 26 2.382 6.606 5.355 1.00 0.00 C ATOM 250 CG LYS A 26 3.157 6.606 4.034 1.00 0.00 C ATOM 251 CD LYS A 26 3.405 8.047 3.582 1.00 0.00 C ATOM 252 CE LYS A 26 4.205 8.042 2.278 1.00 0.00 C ATOM 253 NZ LYS A 26 4.439 9.446 1.836 1.00 0.00 N ATOM 0 H LYS A 26 0.751 5.148 4.172 1.00 0.00 H new ATOM 0 HA LYS A 26 3.061 4.596 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.434 7.129 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.945 7.142 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.106 6.085 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.595 6.067 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.456 8.562 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.949 8.593 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.157 7.532 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.664 7.492 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.983 9.445 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.525 9.918 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.972 9.956 2.569 1.00 0.00 H new ATOM 267 N HIS A 27 0.359 5.426 7.422 1.00 0.00 N ATOM 268 CA HIS A 27 -0.225 5.457 8.798 1.00 0.00 C ATOM 269 C HIS A 27 -0.234 4.051 9.412 1.00 0.00 C ATOM 270 O HIS A 27 -0.063 3.885 10.604 1.00 0.00 O ATOM 271 CB HIS A 27 -1.660 5.981 8.720 1.00 0.00 C ATOM 272 CG HIS A 27 -1.647 7.466 8.487 1.00 0.00 C ATOM 273 ND1 HIS A 27 -2.462 8.332 9.198 1.00 0.00 N ATOM 274 CD2 HIS A 27 -0.924 8.253 7.627 1.00 0.00 C ATOM 275 CE1 HIS A 27 -2.213 9.578 8.757 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.283 9.587 7.800 1.00 0.00 N ATOM 0 H HIS A 27 -0.301 5.628 6.671 1.00 0.00 H new ATOM 0 HA HIS A 27 0.382 6.110 9.425 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.196 5.482 7.913 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.191 5.753 9.644 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.130 8.072 9.924 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.188 7.893 6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.706 10.463 9.132 1.00 0.00 H new ATOM 284 N ASN A 28 -0.452 3.041 8.615 1.00 0.00 N ATOM 285 CA ASN A 28 -0.490 1.644 9.154 1.00 0.00 C ATOM 286 C ASN A 28 0.883 0.999 8.995 1.00 0.00 C ATOM 287 O ASN A 28 1.099 -0.134 9.374 1.00 0.00 O ATOM 288 CB ASN A 28 -1.516 0.826 8.372 1.00 0.00 C ATOM 289 CG ASN A 28 -2.919 1.384 8.617 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.445 1.278 9.707 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.549 1.978 7.642 1.00 0.00 N ATOM 0 H ASN A 28 -0.606 3.120 7.610 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.764 1.672 10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.284 0.856 7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.472 -0.219 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.485 2.354 7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.106 2.066 6.727 1.00 0.00 H new ATOM 298 N ILE A 29 1.811 1.710 8.425 1.00 0.00 N ATOM 299 CA ILE A 29 3.178 1.148 8.223 1.00 0.00 C ATOM 300 C ILE A 29 4.224 2.239 8.487 1.00 0.00 C ATOM 301 O ILE A 29 4.695 2.892 7.578 1.00 0.00 O ATOM 302 CB ILE A 29 3.312 0.642 6.787 1.00 0.00 C ATOM 303 CG1 ILE A 29 2.122 -0.269 6.463 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.612 -0.151 6.656 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.281 -0.849 5.057 1.00 0.00 C ATOM 0 H ILE A 29 1.683 2.664 8.087 1.00 0.00 H new ATOM 0 HA ILE A 29 3.339 0.321 8.914 1.00 0.00 H new ATOM 0 HB ILE A 29 3.326 1.484 6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.060 -1.075 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.192 0.295 6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.715 -0.515 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.457 0.493 6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.593 -0.997 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.433 -1.496 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.321 -0.037 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.203 -1.428 5.005 1.00 0.00 H new ATOM 317 N PRO A 30 4.588 2.431 9.727 1.00 0.00 N ATOM 318 CA PRO A 30 5.611 3.446 10.120 1.00 0.00 C ATOM 319 C PRO A 30 6.935 3.213 9.381 1.00 0.00 C ATOM 320 O PRO A 30 7.696 4.125 9.133 1.00 0.00 O ATOM 321 CB PRO A 30 5.791 3.219 11.632 1.00 0.00 C ATOM 322 CG PRO A 30 4.531 2.546 12.078 1.00 0.00 C ATOM 323 CD PRO A 30 4.062 1.708 10.893 1.00 0.00 C ATOM 0 HA PRO A 30 5.305 4.463 9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.663 2.598 11.836 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.941 4.162 12.157 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.711 1.920 12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.776 3.279 12.361 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.451 0.691 10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.975 1.633 10.861 1.00 0.00 H new ATOM 331 N ASP A 31 7.205 1.984 9.039 1.00 0.00 N ATOM 332 CA ASP A 31 8.471 1.649 8.323 1.00 0.00 C ATOM 333 C ASP A 31 8.244 1.778 6.812 1.00 0.00 C ATOM 334 O ASP A 31 9.010 1.285 6.011 1.00 0.00 O ATOM 335 CB ASP A 31 8.881 0.211 8.665 1.00 0.00 C ATOM 336 CG ASP A 31 9.283 0.127 10.141 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.383 1.169 10.768 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.486 -0.978 10.619 1.00 0.00 O ATOM 0 H ASP A 31 6.596 1.187 9.227 1.00 0.00 H new ATOM 0 HA ASP A 31 9.263 2.332 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.055 -0.471 8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.713 -0.101 8.033 1.00 0.00 H new ATOM 343 N PHE A 32 7.179 2.432 6.425 1.00 0.00 N ATOM 344 CA PHE A 32 6.873 2.595 4.972 1.00 0.00 C ATOM 345 C PHE A 32 8.106 3.105 4.236 1.00 0.00 C ATOM 346 O PHE A 32 8.737 4.061 4.637 1.00 0.00 O ATOM 347 CB PHE A 32 5.732 3.600 4.797 1.00 0.00 C ATOM 348 CG PHE A 32 5.450 3.797 3.327 1.00 0.00 C ATOM 349 CD1 PHE A 32 6.248 4.661 2.569 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.386 3.117 2.723 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.984 4.842 1.207 1.00 0.00 C ATOM 352 CE2 PHE A 32 4.121 3.298 1.362 1.00 0.00 C ATOM 353 CZ PHE A 32 4.921 4.160 0.604 1.00 0.00 C ATOM 0 H PHE A 32 6.504 2.863 7.057 1.00 0.00 H new ATOM 0 HA PHE A 32 6.579 1.629 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.837 3.241 5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.999 4.552 5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.067 5.188 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.769 2.452 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.600 5.508 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.300 2.773 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.718 4.299 -0.448 1.00 0.00 H new ATOM 363 N ASN A 33 8.443 2.458 3.158 1.00 0.00 N ATOM 364 CA ASN A 33 9.631 2.864 2.351 1.00 0.00 C ATOM 365 C ASN A 33 9.163 3.319 0.969 1.00 0.00 C ATOM 366 O ASN A 33 9.245 4.480 0.624 1.00 0.00 O ATOM 367 CB ASN A 33 10.549 1.652 2.191 1.00 0.00 C ATOM 368 CG ASN A 33 11.864 2.087 1.545 1.00 0.00 C ATOM 369 OD1 ASN A 33 12.269 3.225 1.674 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.553 1.225 0.848 1.00 0.00 N ATOM 0 H ASN A 33 7.938 1.650 2.793 1.00 0.00 H new ATOM 0 HA ASN A 33 10.162 3.676 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.742 1.199 3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.063 0.894 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.431 1.507 0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.214 0.269 0.739 1.00 0.00 H new ATOM 377 N THR A 34 8.677 2.403 0.177 1.00 0.00 N ATOM 378 CA THR A 34 8.206 2.761 -1.197 1.00 0.00 C ATOM 379 C THR A 34 6.972 1.939 -1.558 1.00 0.00 C ATOM 380 O THR A 34 6.691 0.918 -0.963 1.00 0.00 O ATOM 381 CB THR A 34 9.320 2.478 -2.208 1.00 0.00 C ATOM 382 OG1 THR A 34 8.810 2.627 -3.524 1.00 0.00 O ATOM 383 CG2 THR A 34 9.850 1.052 -2.022 1.00 0.00 C ATOM 0 H THR A 34 8.584 1.417 0.421 1.00 0.00 H new ATOM 0 HA THR A 34 7.949 3.820 -1.221 1.00 0.00 H new ATOM 0 HB THR A 34 10.136 3.183 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.522 2.448 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.642 0.861 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.246 0.940 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.039 0.340 -2.175 1.00 0.00 H new ATOM 391 N VAL A 35 6.232 2.392 -2.535 1.00 0.00 N ATOM 392 CA VAL A 35 4.999 1.665 -2.962 1.00 0.00 C ATOM 393 C VAL A 35 4.939 1.620 -4.488 1.00 0.00 C ATOM 394 O VAL A 35 5.260 2.579 -5.159 1.00 0.00 O ATOM 395 CB VAL A 35 3.761 2.393 -2.423 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.775 3.867 -2.854 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.495 1.717 -2.954 1.00 0.00 C ATOM 0 H VAL A 35 6.431 3.243 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 35 5.022 0.649 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 35 3.773 2.345 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.890 4.369 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.669 4.352 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.776 3.928 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.617 2.236 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.491 1.756 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.474 0.677 -2.628 1.00 0.00 H new ATOM 407 N THR A 36 4.528 0.506 -5.028 1.00 0.00 N ATOM 408 CA THR A 36 4.430 0.360 -6.514 1.00 0.00 C ATOM 409 C THR A 36 3.003 -0.033 -6.885 1.00 0.00 C ATOM 410 O THR A 36 2.457 -0.993 -6.378 1.00 0.00 O ATOM 411 CB THR A 36 5.408 -0.717 -6.989 1.00 0.00 C ATOM 412 OG1 THR A 36 6.732 -0.308 -6.674 1.00 0.00 O ATOM 413 CG2 THR A 36 5.276 -0.900 -8.502 1.00 0.00 C ATOM 0 H THR A 36 4.252 -0.321 -4.499 1.00 0.00 H new ATOM 0 HA THR A 36 4.682 1.305 -6.995 1.00 0.00 H new ATOM 0 HB THR A 36 5.184 -1.662 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.366 -0.993 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.973 -1.667 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.258 -1.204 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.503 0.041 -9.003 1.00 0.00 H new ATOM 421 N PHE A 37 2.401 0.719 -7.758 1.00 0.00 N ATOM 422 CA PHE A 37 0.999 0.432 -8.175 1.00 0.00 C ATOM 423 C PHE A 37 0.992 -0.488 -9.390 1.00 0.00 C ATOM 424 O PHE A 37 1.746 -0.313 -10.325 1.00 0.00 O ATOM 425 CB PHE A 37 0.304 1.747 -8.539 1.00 0.00 C ATOM 426 CG PHE A 37 -0.002 2.516 -7.277 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.100 2.154 -6.493 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.811 3.586 -6.891 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.390 2.863 -5.321 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.523 4.296 -5.720 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.577 3.934 -4.934 1.00 0.00 C ATOM 0 H PHE A 37 2.824 1.531 -8.208 1.00 0.00 H new ATOM 0 HA PHE A 37 0.474 -0.055 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.943 2.340 -9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.616 1.546 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.726 1.326 -6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.661 3.864 -7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.240 2.584 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.150 5.124 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.798 4.481 -4.029 1.00 0.00 H new ATOM 441 N THR A 38 0.125 -1.460 -9.376 1.00 0.00 N ATOM 442 CA THR A 38 0.011 -2.414 -10.519 1.00 0.00 C ATOM 443 C THR A 38 -1.388 -2.268 -11.131 1.00 0.00 C ATOM 444 O THR A 38 -1.568 -2.398 -12.323 1.00 0.00 O ATOM 445 CB THR A 38 0.217 -3.846 -10.007 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.543 -4.050 -8.823 1.00 0.00 O ATOM 447 CG2 THR A 38 1.702 -4.066 -9.709 1.00 0.00 C ATOM 0 H THR A 38 -0.522 -1.639 -8.608 1.00 0.00 H new ATOM 0 HA THR A 38 0.767 -2.199 -11.274 1.00 0.00 H new ATOM 0 HB THR A 38 -0.113 -4.554 -10.767 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.120 -3.273 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.853 -5.082 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.282 -3.917 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.030 -3.356 -8.950 1.00 0.00 H new ATOM 455 N ASN A 39 -2.369 -1.978 -10.310 1.00 0.00 N ATOM 456 CA ASN A 39 -3.774 -1.799 -10.805 1.00 0.00 C ATOM 457 C ASN A 39 -4.094 -2.807 -11.912 1.00 0.00 C ATOM 458 O ASN A 39 -3.784 -2.611 -13.071 1.00 0.00 O ATOM 459 CB ASN A 39 -3.970 -0.365 -11.313 1.00 0.00 C ATOM 460 CG ASN A 39 -2.861 0.007 -12.299 1.00 0.00 C ATOM 461 OD1 ASN A 39 -2.860 -0.440 -13.428 1.00 0.00 O ATOM 462 ND2 ASN A 39 -1.908 0.816 -11.914 1.00 0.00 N ATOM 0 H ASN A 39 -2.255 -1.856 -9.304 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.460 -1.979 -9.977 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.942 -0.274 -11.798 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.966 0.329 -10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.163 1.072 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.910 1.191 -10.965 1.00 0.00 H new ATOM 469 N GLU A 40 -4.724 -3.889 -11.548 1.00 0.00 N ATOM 470 CA GLU A 40 -5.083 -4.929 -12.550 1.00 0.00 C ATOM 471 C GLU A 40 -6.242 -5.774 -12.013 1.00 0.00 C ATOM 472 O GLU A 40 -6.315 -6.962 -12.242 1.00 0.00 O ATOM 473 CB GLU A 40 -3.862 -5.818 -12.825 1.00 0.00 C ATOM 474 CG GLU A 40 -3.390 -6.485 -11.529 1.00 0.00 C ATOM 475 CD GLU A 40 -2.160 -7.348 -11.822 1.00 0.00 C ATOM 476 OE1 GLU A 40 -2.104 -7.915 -12.902 1.00 0.00 O ATOM 477 OE2 GLU A 40 -1.295 -7.425 -10.966 1.00 0.00 O ATOM 0 H GLU A 40 -5.008 -4.098 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.391 -4.453 -13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.116 -6.579 -13.563 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.056 -5.220 -13.249 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.147 -5.727 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.188 -7.099 -11.111 1.00 0.00 H new ATOM 484 N GLU A 41 -7.155 -5.163 -11.303 1.00 0.00 N ATOM 485 CA GLU A 41 -8.324 -5.926 -10.754 1.00 0.00 C ATOM 486 C GLU A 41 -9.572 -5.047 -10.772 1.00 0.00 C ATOM 487 O GLU A 41 -9.614 -3.991 -10.173 1.00 0.00 O ATOM 488 CB GLU A 41 -8.040 -6.378 -9.319 1.00 0.00 C ATOM 489 CG GLU A 41 -6.978 -7.480 -9.336 1.00 0.00 C ATOM 490 CD GLU A 41 -6.683 -7.942 -7.907 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.318 -7.436 -6.997 1.00 0.00 O ATOM 492 OE2 GLU A 41 -5.827 -8.798 -7.747 1.00 0.00 O ATOM 0 H GLU A 41 -7.145 -4.168 -11.078 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.488 -6.805 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.695 -5.534 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.955 -6.746 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.325 -8.322 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.065 -7.110 -9.804 1.00 0.00 H new ATOM 499 N PHE A 42 -10.591 -5.492 -11.457 1.00 0.00 N ATOM 500 CA PHE A 42 -11.864 -4.712 -11.536 1.00 0.00 C ATOM 501 C PHE A 42 -12.945 -5.435 -10.751 1.00 0.00 C ATOM 502 O PHE A 42 -13.275 -6.575 -11.023 1.00 0.00 O ATOM 503 CB PHE A 42 -12.302 -4.581 -12.992 1.00 0.00 C ATOM 504 CG PHE A 42 -13.562 -3.754 -13.052 1.00 0.00 C ATOM 505 CD1 PHE A 42 -14.815 -4.373 -12.964 1.00 0.00 C ATOM 506 CD2 PHE A 42 -13.475 -2.365 -13.192 1.00 0.00 C ATOM 507 CE1 PHE A 42 -15.981 -3.599 -13.015 1.00 0.00 C ATOM 508 CE2 PHE A 42 -14.640 -1.591 -13.244 1.00 0.00 C ATOM 509 CZ PHE A 42 -15.894 -2.209 -13.158 1.00 0.00 C ATOM 0 H PHE A 42 -10.597 -6.373 -11.972 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.704 -3.719 -11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.515 -4.111 -13.581 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.478 -5.567 -13.423 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -14.882 -5.446 -12.857 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.508 -1.889 -13.260 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.948 -4.075 -12.944 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -14.572 -0.518 -13.350 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.794 -1.613 -13.202 1.00 0.00 H new ATOM 519 N ASN A 43 -13.500 -4.766 -9.780 1.00 0.00 N ATOM 520 CA ASN A 43 -14.572 -5.375 -8.953 1.00 0.00 C ATOM 521 C ASN A 43 -15.922 -4.741 -9.343 1.00 0.00 C ATOM 522 O ASN A 43 -16.011 -3.538 -9.510 1.00 0.00 O ATOM 523 CB ASN A 43 -14.304 -5.103 -7.474 1.00 0.00 C ATOM 524 CG ASN A 43 -12.903 -5.596 -7.110 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.069 -5.782 -7.974 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.609 -5.823 -5.860 1.00 0.00 N ATOM 0 H ASN A 43 -13.251 -3.811 -9.523 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.596 -6.451 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.390 -4.036 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.050 -5.608 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.679 -6.157 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.309 -5.667 -5.135 1.00 0.00 H new ATOM 533 N PRO A 44 -16.964 -5.524 -9.469 1.00 0.00 N ATOM 534 CA PRO A 44 -18.323 -5.006 -9.822 1.00 0.00 C ATOM 535 C PRO A 44 -18.733 -3.812 -8.939 1.00 0.00 C ATOM 536 O PRO A 44 -19.461 -2.933 -9.358 1.00 0.00 O ATOM 537 CB PRO A 44 -19.245 -6.205 -9.540 1.00 0.00 C ATOM 538 CG PRO A 44 -18.381 -7.417 -9.681 1.00 0.00 C ATOM 539 CD PRO A 44 -16.965 -6.987 -9.314 1.00 0.00 C ATOM 0 HA PRO A 44 -18.367 -4.643 -10.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.674 -6.143 -8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.078 -6.233 -10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.725 -8.217 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.417 -7.802 -10.700 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.716 -7.277 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.228 -7.454 -9.967 1.00 0.00 H new ATOM 547 N ILE A 45 -18.274 -3.793 -7.718 1.00 0.00 N ATOM 548 CA ILE A 45 -18.628 -2.681 -6.785 1.00 0.00 C ATOM 549 C ILE A 45 -17.748 -1.461 -7.082 1.00 0.00 C ATOM 550 O ILE A 45 -17.978 -0.378 -6.580 1.00 0.00 O ATOM 551 CB ILE A 45 -18.392 -3.149 -5.339 1.00 0.00 C ATOM 552 CG1 ILE A 45 -16.943 -3.633 -5.180 1.00 0.00 C ATOM 553 CG2 ILE A 45 -19.343 -4.301 -5.004 1.00 0.00 C ATOM 554 CD1 ILE A 45 -16.669 -3.945 -3.707 1.00 0.00 C ATOM 0 H ILE A 45 -17.663 -4.507 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.675 -2.407 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 45 -18.577 -2.314 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -16.776 -4.522 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.252 -2.869 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -19.171 -4.628 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -20.374 -3.964 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -19.162 -5.132 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -15.641 -4.289 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -16.819 -3.045 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.352 -4.724 -3.367 1.00 0.00 H new ATOM 566 N GLY A 46 -16.743 -1.629 -7.901 1.00 0.00 N ATOM 567 CA GLY A 46 -15.848 -0.478 -8.240 1.00 0.00 C ATOM 568 C GLY A 46 -14.457 -0.978 -8.654 1.00 0.00 C ATOM 569 O GLY A 46 -14.206 -2.164 -8.747 1.00 0.00 O ATOM 0 H GLY A 46 -16.502 -2.512 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.287 0.104 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.760 0.187 -7.381 1.00 0.00 H new ATOM 573 N ILE A 47 -13.560 -0.065 -8.913 1.00 0.00 N ATOM 574 CA ILE A 47 -12.179 -0.445 -9.338 1.00 0.00 C ATOM 575 C ILE A 47 -11.311 -0.749 -8.119 1.00 0.00 C ATOM 576 O ILE A 47 -11.382 -0.087 -7.103 1.00 0.00 O ATOM 577 CB ILE A 47 -11.557 0.709 -10.141 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.544 1.995 -9.300 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.371 0.941 -11.415 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.860 3.117 -10.087 1.00 0.00 C ATOM 0 H ILE A 47 -13.726 0.939 -8.848 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.233 -1.339 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.532 0.446 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.563 2.285 -9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.018 1.822 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.930 1.759 -11.984 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.367 0.034 -12.020 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.397 1.195 -11.150 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.852 4.028 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.836 2.826 -10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.405 3.296 -11.014 1.00 0.00 H new ATOM 592 N SER A 48 -10.495 -1.760 -8.225 1.00 0.00 N ATOM 593 CA SER A 48 -9.600 -2.153 -7.093 1.00 0.00 C ATOM 594 C SER A 48 -8.149 -1.856 -7.463 1.00 0.00 C ATOM 595 O SER A 48 -7.653 -2.282 -8.487 1.00 0.00 O ATOM 596 CB SER A 48 -9.762 -3.646 -6.818 1.00 0.00 C ATOM 597 OG SER A 48 -11.075 -3.888 -6.331 1.00 0.00 O ATOM 0 H SER A 48 -10.407 -2.341 -9.059 1.00 0.00 H new ATOM 0 HA SER A 48 -9.868 -1.586 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.587 -4.218 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.023 -3.977 -6.088 1.00 0.00 H new ATOM 0 HG SER A 48 -11.079 -3.818 -5.354 1.00 0.00 H new ATOM 603 N ILE A 49 -7.469 -1.125 -6.628 1.00 0.00 N ATOM 604 CA ILE A 49 -6.044 -0.783 -6.902 1.00 0.00 C ATOM 605 C ILE A 49 -5.135 -1.789 -6.203 1.00 0.00 C ATOM 606 O ILE A 49 -5.239 -2.019 -5.017 1.00 0.00 O ATOM 607 CB ILE A 49 -5.748 0.626 -6.382 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.553 1.640 -7.199 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.255 0.919 -6.525 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.457 3.024 -6.550 1.00 0.00 C ATOM 0 H ILE A 49 -7.842 -0.745 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.862 -0.818 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.028 0.698 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.174 1.680 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.596 1.328 -7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.044 1.922 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.685 0.192 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.970 0.852 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.032 3.741 -7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.857 2.979 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.414 3.338 -6.515 1.00 0.00 H new ATOM 622 N ASP A 50 -4.252 -2.391 -6.950 1.00 0.00 N ATOM 623 CA ASP A 50 -3.315 -3.407 -6.374 1.00 0.00 C ATOM 624 C ASP A 50 -1.877 -2.908 -6.470 1.00 0.00 C ATOM 625 O ASP A 50 -1.509 -2.184 -7.373 1.00 0.00 O ATOM 626 CB ASP A 50 -3.443 -4.712 -7.158 1.00 0.00 C ATOM 627 CG ASP A 50 -4.805 -5.341 -6.874 1.00 0.00 C ATOM 628 OD1 ASP A 50 -5.109 -5.552 -5.710 1.00 0.00 O ATOM 629 OD2 ASP A 50 -5.524 -5.603 -7.823 1.00 0.00 O ATOM 0 H ASP A 50 -4.135 -2.222 -7.949 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.569 -3.572 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.334 -4.520 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.646 -5.399 -6.874 1.00 0.00 H new ATOM 634 N GLY A 51 -1.064 -3.305 -5.535 1.00 0.00 N ATOM 635 CA GLY A 51 0.361 -2.876 -5.543 1.00 0.00 C ATOM 636 C GLY A 51 1.108 -3.543 -4.386 1.00 0.00 C ATOM 637 O GLY A 51 0.555 -4.330 -3.640 1.00 0.00 O ATOM 0 H GLY A 51 -1.327 -3.913 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.826 -3.145 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.425 -1.792 -5.452 1.00 0.00 H new ATOM 641 N TYR A 52 2.362 -3.226 -4.240 1.00 0.00 N ATOM 642 CA TYR A 52 3.186 -3.821 -3.143 1.00 0.00 C ATOM 643 C TYR A 52 4.149 -2.777 -2.591 1.00 0.00 C ATOM 644 O TYR A 52 4.392 -1.754 -3.197 1.00 0.00 O ATOM 645 CB TYR A 52 3.975 -5.021 -3.676 1.00 0.00 C ATOM 646 CG TYR A 52 4.670 -4.654 -4.968 1.00 0.00 C ATOM 647 CD1 TYR A 52 4.008 -4.830 -6.190 1.00 0.00 C ATOM 648 CD2 TYR A 52 5.976 -4.147 -4.949 1.00 0.00 C ATOM 649 CE1 TYR A 52 4.650 -4.500 -7.390 1.00 0.00 C ATOM 650 CE2 TYR A 52 6.618 -3.817 -6.150 1.00 0.00 C ATOM 651 CZ TYR A 52 5.955 -3.994 -7.370 1.00 0.00 C ATOM 652 OH TYR A 52 6.588 -3.672 -8.553 1.00 0.00 O ATOM 0 H TYR A 52 2.862 -2.571 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 52 2.524 -4.154 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.710 -5.340 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.303 -5.863 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.001 -5.221 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.488 -4.010 -4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.138 -4.636 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.625 -3.426 -6.134 1.00 0.00 H new ATOM 0 HH TYR A 52 5.928 -3.626 -9.276 1.00 0.00 H new ATOM 662 N ILE A 53 4.681 -3.036 -1.426 1.00 0.00 N ATOM 663 CA ILE A 53 5.628 -2.070 -0.775 1.00 0.00 C ATOM 664 C ILE A 53 6.980 -2.736 -0.497 1.00 0.00 C ATOM 665 O ILE A 53 7.113 -3.944 -0.496 1.00 0.00 O ATOM 666 CB ILE A 53 5.024 -1.579 0.547 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.670 -2.777 1.442 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.762 -0.763 0.266 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.337 -2.283 2.851 1.00 0.00 C ATOM 0 H ILE A 53 4.501 -3.884 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 53 5.786 -1.229 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 53 5.756 -0.954 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.820 -3.317 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.505 -3.476 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.336 -0.416 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.015 0.096 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.034 -1.386 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.086 -3.133 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.199 -1.762 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.488 -1.601 2.806 1.00 0.00 H new ATOM 681 N ASN A 54 7.976 -1.929 -0.264 1.00 0.00 N ATOM 682 CA ASN A 54 9.351 -2.443 0.024 1.00 0.00 C ATOM 683 C ASN A 54 9.862 -3.285 -1.153 1.00 0.00 C ATOM 684 O ASN A 54 10.633 -4.213 -0.985 1.00 0.00 O ATOM 685 CB ASN A 54 9.327 -3.286 1.303 1.00 0.00 C ATOM 686 CG ASN A 54 8.609 -2.509 2.414 1.00 0.00 C ATOM 687 OD1 ASN A 54 7.397 -2.418 2.423 1.00 0.00 O ATOM 688 ND2 ASN A 54 9.310 -1.941 3.357 1.00 0.00 N ATOM 0 H ASN A 54 7.897 -0.912 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 54 10.025 -1.598 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.818 -4.232 1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.344 -3.527 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.841 -1.422 4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.327 -2.016 3.352 1.00 0.00 H new ATOM 695 N ASN A 55 9.444 -2.950 -2.344 1.00 0.00 N ATOM 696 CA ASN A 55 9.898 -3.700 -3.556 1.00 0.00 C ATOM 697 C ASN A 55 9.751 -5.200 -3.314 1.00 0.00 C ATOM 698 O ASN A 55 10.497 -6.000 -3.842 1.00 0.00 O ATOM 699 CB ASN A 55 11.362 -3.359 -3.862 1.00 0.00 C ATOM 700 CG ASN A 55 11.518 -1.839 -3.966 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.822 -1.197 -4.729 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.404 -1.232 -3.227 1.00 0.00 N ATOM 0 H ASN A 55 8.801 -2.181 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 55 9.283 -3.413 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.010 -3.749 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.670 -3.832 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.513 -0.220 -3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.988 -1.769 -2.587 1.00 0.00 H new ATOM 709 N ASP A 56 8.785 -5.579 -2.522 1.00 0.00 N ATOM 710 CA ASP A 56 8.556 -7.030 -2.230 1.00 0.00 C ATOM 711 C ASP A 56 7.215 -7.465 -2.823 1.00 0.00 C ATOM 712 O ASP A 56 6.158 -7.091 -2.356 1.00 0.00 O ATOM 713 CB ASP A 56 8.553 -7.248 -0.718 1.00 0.00 C ATOM 714 CG ASP A 56 9.980 -7.107 -0.180 1.00 0.00 C ATOM 715 OD1 ASP A 56 10.889 -6.988 -0.986 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.142 -7.130 1.030 1.00 0.00 O ATOM 0 H ASP A 56 8.137 -4.942 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 56 9.353 -7.625 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.898 -6.522 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.160 -8.237 -0.483 1.00 0.00 H new ATOM 721 N LYS A 57 7.273 -8.262 -3.849 1.00 0.00 N ATOM 722 CA LYS A 57 6.033 -8.754 -4.519 1.00 0.00 C ATOM 723 C LYS A 57 5.177 -9.528 -3.511 1.00 0.00 C ATOM 724 O LYS A 57 3.963 -9.518 -3.573 1.00 0.00 O ATOM 725 CB LYS A 57 6.432 -9.676 -5.674 1.00 0.00 C ATOM 726 CG LYS A 57 7.098 -8.848 -6.775 1.00 0.00 C ATOM 727 CD LYS A 57 7.534 -9.763 -7.922 1.00 0.00 C ATOM 728 CE LYS A 57 8.173 -8.923 -9.031 1.00 0.00 C ATOM 729 NZ LYS A 57 8.651 -9.819 -10.123 1.00 0.00 N ATOM 0 H LYS A 57 8.142 -8.602 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 57 5.456 -7.911 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.116 -10.447 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.553 -10.186 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.404 -8.093 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.961 -8.318 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.244 -10.506 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.675 -10.308 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.449 -8.209 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.006 -8.345 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.085 -9.248 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.355 -10.484 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.847 -10.351 -10.512 1.00 0.00 H new ATOM 743 N ASN A 58 5.803 -10.194 -2.581 1.00 0.00 N ATOM 744 CA ASN A 58 5.036 -10.968 -1.561 1.00 0.00 C ATOM 745 C ASN A 58 4.179 -10.000 -0.738 1.00 0.00 C ATOM 746 O ASN A 58 3.057 -10.295 -0.376 1.00 0.00 O ATOM 747 CB ASN A 58 6.015 -11.681 -0.620 1.00 0.00 C ATOM 748 CG ASN A 58 6.744 -12.795 -1.376 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.152 -13.487 -2.178 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.014 -12.998 -1.149 1.00 0.00 N ATOM 0 H ASN A 58 6.817 -10.237 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 58 4.402 -11.701 -2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.736 -10.967 -0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.477 -12.099 0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.509 -13.739 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.511 -12.416 -0.475 1.00 0.00 H new ATOM 757 N LEU A 59 4.713 -8.848 -0.437 1.00 0.00 N ATOM 758 CA LEU A 59 3.956 -7.845 0.372 1.00 0.00 C ATOM 759 C LEU A 59 3.029 -7.048 -0.542 1.00 0.00 C ATOM 760 O LEU A 59 3.294 -5.907 -0.883 1.00 0.00 O ATOM 761 CB LEU A 59 4.944 -6.900 1.061 1.00 0.00 C ATOM 762 CG LEU A 59 5.978 -7.716 1.848 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.943 -6.766 2.565 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.266 -8.603 2.880 1.00 0.00 C ATOM 0 H LEU A 59 5.649 -8.555 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 59 3.360 -8.357 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.445 -6.279 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.410 -6.227 1.732 1.00 0.00 H new ATOM 0 HG LEU A 59 6.537 -8.348 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.677 -7.347 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.455 -6.145 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.384 -6.130 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.005 -9.180 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.701 -7.976 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.586 -9.283 2.368 1.00 0.00 H new ATOM 776 N SER A 60 1.944 -7.653 -0.945 1.00 0.00 N ATOM 777 CA SER A 60 0.977 -6.962 -1.852 1.00 0.00 C ATOM 778 C SER A 60 -0.205 -6.413 -1.053 1.00 0.00 C ATOM 779 O SER A 60 -0.452 -6.802 0.071 1.00 0.00 O ATOM 780 CB SER A 60 0.459 -7.959 -2.886 1.00 0.00 C ATOM 781 OG SER A 60 -0.651 -7.390 -3.568 1.00 0.00 O ATOM 0 H SER A 60 1.683 -8.604 -0.684 1.00 0.00 H new ATOM 0 HA SER A 60 1.486 -6.135 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.248 -8.209 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.164 -8.888 -2.398 1.00 0.00 H new ATOM 0 HG SER A 60 -0.986 -8.026 -4.234 1.00 0.00 H new ATOM 787 N PHE A 61 -0.937 -5.509 -1.642 1.00 0.00 N ATOM 788 CA PHE A 61 -2.118 -4.914 -0.950 1.00 0.00 C ATOM 789 C PHE A 61 -3.184 -4.536 -1.978 1.00 0.00 C ATOM 790 O PHE A 61 -2.899 -4.309 -3.138 1.00 0.00 O ATOM 791 CB PHE A 61 -1.693 -3.667 -0.165 1.00 0.00 C ATOM 792 CG PHE A 61 -1.132 -2.616 -1.100 1.00 0.00 C ATOM 793 CD1 PHE A 61 -1.990 -1.711 -1.738 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.250 -2.537 -1.317 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.468 -0.731 -2.592 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.771 -1.557 -2.172 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.088 -0.655 -2.810 1.00 0.00 C ATOM 0 H PHE A 61 -0.767 -5.153 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.530 -5.648 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.548 -3.262 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.944 -3.937 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.055 -1.769 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.914 -3.232 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.131 -0.034 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.836 -1.498 -2.339 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.314 0.099 -3.470 1.00 0.00 H new ATOM 807 N THR A 62 -4.418 -4.481 -1.550 1.00 0.00 N ATOM 808 CA THR A 62 -5.539 -4.129 -2.481 1.00 0.00 C ATOM 809 C THR A 62 -6.441 -3.075 -1.842 1.00 0.00 C ATOM 810 O THR A 62 -6.787 -3.157 -0.682 1.00 0.00 O ATOM 811 CB THR A 62 -6.356 -5.385 -2.788 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.523 -6.338 -3.432 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.525 -5.021 -3.705 1.00 0.00 C ATOM 0 H THR A 62 -4.703 -4.666 -0.588 1.00 0.00 H new ATOM 0 HA THR A 62 -5.124 -3.726 -3.405 1.00 0.00 H new ATOM 0 HB THR A 62 -6.744 -5.807 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.725 -6.355 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.108 -5.916 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.160 -4.286 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.141 -4.601 -4.635 1.00 0.00 H new ATOM 821 N ALA A 63 -6.822 -2.086 -2.606 1.00 0.00 N ATOM 822 CA ALA A 63 -7.710 -1.002 -2.079 1.00 0.00 C ATOM 823 C ALA A 63 -8.861 -0.770 -3.060 1.00 0.00 C ATOM 824 O ALA A 63 -8.681 -0.743 -4.261 1.00 0.00 O ATOM 825 CB ALA A 63 -6.903 0.287 -1.927 1.00 0.00 C ATOM 0 H ALA A 63 -6.554 -1.980 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.110 -1.296 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.548 1.077 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.080 0.121 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.504 0.583 -2.897 1.00 0.00 H new ATOM 831 N GLY A 64 -10.047 -0.617 -2.541 1.00 0.00 N ATOM 832 CA GLY A 64 -11.248 -0.399 -3.407 1.00 0.00 C ATOM 833 C GLY A 64 -11.651 1.075 -3.404 1.00 0.00 C ATOM 834 O GLY A 64 -11.693 1.723 -2.376 1.00 0.00 O ATOM 0 H GLY A 64 -10.242 -0.633 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.032 -0.721 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.077 -1.009 -3.049 1.00 0.00 H new ATOM 838 N LYS A 65 -11.962 1.588 -4.563 1.00 0.00 N ATOM 839 CA LYS A 65 -12.389 3.016 -4.708 1.00 0.00 C ATOM 840 C LYS A 65 -11.675 3.918 -3.699 1.00 0.00 C ATOM 841 O LYS A 65 -10.466 4.001 -3.670 1.00 0.00 O ATOM 842 CB LYS A 65 -13.908 3.114 -4.501 1.00 0.00 C ATOM 843 CG LYS A 65 -14.650 2.499 -5.699 1.00 0.00 C ATOM 844 CD LYS A 65 -14.782 3.544 -6.818 1.00 0.00 C ATOM 845 CE LYS A 65 -15.524 2.938 -8.004 1.00 0.00 C ATOM 846 NZ LYS A 65 -15.683 3.971 -9.064 1.00 0.00 N ATOM 0 H LYS A 65 -11.938 1.066 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.123 3.354 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.191 2.597 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.199 4.158 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.109 1.626 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.637 2.156 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.318 4.419 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.794 3.883 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.973 2.082 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.501 2.571 -7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.189 3.561 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.226 4.774 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.746 4.300 -9.371 1.00 0.00 H new ATOM 860 N ASP A 66 -12.424 4.602 -2.877 1.00 0.00 N ATOM 861 CA ASP A 66 -11.806 5.507 -1.873 1.00 0.00 C ATOM 862 C ASP A 66 -11.454 4.695 -0.632 1.00 0.00 C ATOM 863 O ASP A 66 -12.131 4.756 0.376 1.00 0.00 O ATOM 864 CB ASP A 66 -12.800 6.612 -1.500 1.00 0.00 C ATOM 865 CG ASP A 66 -12.944 7.600 -2.663 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.131 7.542 -3.571 1.00 0.00 O ATOM 867 OD2 ASP A 66 -13.867 8.398 -2.625 1.00 0.00 O ATOM 0 H ASP A 66 -13.443 4.571 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.905 5.961 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.770 6.175 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.457 7.135 -0.607 1.00 0.00 H new ATOM 872 N VAL A 67 -10.392 3.936 -0.711 1.00 0.00 N ATOM 873 CA VAL A 67 -9.954 3.098 0.445 1.00 0.00 C ATOM 874 C VAL A 67 -11.178 2.513 1.163 1.00 0.00 C ATOM 875 O VAL A 67 -11.159 2.250 2.350 1.00 0.00 O ATOM 876 CB VAL A 67 -9.127 3.958 1.413 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.204 3.059 2.239 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.273 4.947 0.612 1.00 0.00 C ATOM 0 H VAL A 67 -9.801 3.860 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.339 2.274 0.084 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.800 4.501 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.618 3.671 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.803 2.348 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.533 2.517 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.685 5.558 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.603 4.397 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.922 5.590 0.018 1.00 0.00 H new ATOM 888 N LYS A 68 -12.242 2.308 0.436 1.00 0.00 N ATOM 889 CA LYS A 68 -13.476 1.743 1.053 1.00 0.00 C ATOM 890 C LYS A 68 -13.181 0.347 1.583 1.00 0.00 C ATOM 891 O LYS A 68 -13.590 -0.012 2.667 1.00 0.00 O ATOM 892 CB LYS A 68 -14.579 1.660 -0.007 1.00 0.00 C ATOM 893 CG LYS A 68 -15.049 3.078 -0.381 1.00 0.00 C ATOM 894 CD LYS A 68 -16.142 3.549 0.600 1.00 0.00 C ATOM 895 CE LYS A 68 -17.515 3.089 0.105 1.00 0.00 C ATOM 896 NZ LYS A 68 -18.556 3.483 1.092 1.00 0.00 N ATOM 0 H LYS A 68 -12.310 2.508 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.802 2.384 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.207 1.145 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.418 1.077 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.205 3.768 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.436 3.084 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.950 3.146 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.122 4.635 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.732 3.535 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.520 2.008 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.489 3.170 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.351 3.037 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.556 4.517 1.202 1.00 0.00 H new ATOM 910 N ILE A 69 -12.468 -0.441 0.826 1.00 0.00 N ATOM 911 CA ILE A 69 -12.129 -1.826 1.277 1.00 0.00 C ATOM 912 C ILE A 69 -10.632 -2.050 1.130 1.00 0.00 C ATOM 913 O ILE A 69 -10.068 -1.857 0.072 1.00 0.00 O ATOM 914 CB ILE A 69 -12.888 -2.846 0.431 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.390 -2.669 0.666 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.469 -4.257 0.843 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.173 -3.513 -0.341 1.00 0.00 C ATOM 0 H ILE A 69 -12.102 -0.186 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.415 -1.948 2.322 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.661 -2.695 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.646 -2.968 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.662 -1.619 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.009 -4.987 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.397 -4.379 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.701 -4.412 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.242 -3.384 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.926 -3.194 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.910 -4.564 -0.218 1.00 0.00 H new ATOM 929 N PHE A 70 -9.989 -2.453 2.190 1.00 0.00 N ATOM 930 CA PHE A 70 -8.514 -2.697 2.147 1.00 0.00 C ATOM 931 C PHE A 70 -8.220 -4.128 2.584 1.00 0.00 C ATOM 932 O PHE A 70 -8.708 -4.597 3.592 1.00 0.00 O ATOM 933 CB PHE A 70 -7.810 -1.730 3.096 1.00 0.00 C ATOM 934 CG PHE A 70 -6.323 -1.968 3.022 1.00 0.00 C ATOM 935 CD1 PHE A 70 -5.597 -1.478 1.930 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.670 -2.682 4.032 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.219 -1.700 1.848 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.290 -2.903 3.953 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.564 -2.412 2.861 1.00 0.00 C ATOM 0 H PHE A 70 -10.425 -2.627 3.096 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.153 -2.543 1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.041 -0.700 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.165 -1.878 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.102 -0.928 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.231 -3.063 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.660 -1.323 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.785 -3.452 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.499 -2.582 2.800 1.00 0.00 H new ATOM 949 N SER A 71 -7.417 -4.818 1.823 1.00 0.00 N ATOM 950 CA SER A 71 -7.058 -6.231 2.161 1.00 0.00 C ATOM 951 C SER A 71 -5.540 -6.375 2.164 1.00 0.00 C ATOM 952 O SER A 71 -4.834 -5.674 1.459 1.00 0.00 O ATOM 953 CB SER A 71 -7.661 -7.176 1.124 1.00 0.00 C ATOM 954 OG SER A 71 -9.071 -7.208 1.294 1.00 0.00 O ATOM 0 H SER A 71 -6.987 -4.461 0.970 1.00 0.00 H new ATOM 0 HA SER A 71 -7.451 -6.483 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.410 -6.840 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.245 -8.177 1.239 1.00 0.00 H new ATOM 0 HG SER A 71 -9.467 -7.811 0.631 1.00 0.00 H new ATOM 960 N SER A 72 -5.040 -7.279 2.965 1.00 0.00 N ATOM 961 CA SER A 72 -3.564 -7.486 3.055 1.00 0.00 C ATOM 962 C SER A 72 -3.236 -8.978 3.078 1.00 0.00 C ATOM 963 O SER A 72 -4.036 -9.805 3.465 1.00 0.00 O ATOM 964 CB SER A 72 -3.045 -6.846 4.343 1.00 0.00 C ATOM 965 OG SER A 72 -3.842 -7.283 5.439 1.00 0.00 O ATOM 0 H SER A 72 -5.596 -7.888 3.566 1.00 0.00 H new ATOM 0 HA SER A 72 -3.091 -7.029 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.002 -7.120 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.080 -5.760 4.263 1.00 0.00 H new ATOM 0 HG SER A 72 -3.511 -6.876 6.267 1.00 0.00 H new ATOM 971 N SER A 73 -2.050 -9.311 2.660 1.00 0.00 N ATOM 972 CA SER A 73 -1.620 -10.736 2.634 1.00 0.00 C ATOM 973 C SER A 73 -1.151 -11.168 4.024 1.00 0.00 C ATOM 974 O SER A 73 -1.068 -10.376 4.941 1.00 0.00 O ATOM 975 CB SER A 73 -0.473 -10.896 1.634 1.00 0.00 C ATOM 976 OG SER A 73 -0.049 -12.251 1.617 1.00 0.00 O ATOM 0 H SER A 73 -1.349 -8.647 2.330 1.00 0.00 H new ATOM 0 HA SER A 73 -2.461 -11.361 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.798 -10.593 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.358 -10.247 1.910 1.00 0.00 H new ATOM 0 HG SER A 73 0.785 -12.339 2.124 1.00 0.00 H new ATOM 982 N GLU A 74 -0.850 -12.427 4.177 1.00 0.00 N ATOM 983 CA GLU A 74 -0.390 -12.946 5.499 1.00 0.00 C ATOM 984 C GLU A 74 0.933 -12.279 5.887 1.00 0.00 C ATOM 985 O GLU A 74 1.148 -11.911 7.025 1.00 0.00 O ATOM 986 CB GLU A 74 -0.183 -14.465 5.398 1.00 0.00 C ATOM 987 CG GLU A 74 -1.537 -15.159 5.215 1.00 0.00 C ATOM 988 CD GLU A 74 -1.337 -16.670 5.044 1.00 0.00 C ATOM 989 OE1 GLU A 74 -0.203 -17.114 5.124 1.00 0.00 O ATOM 990 OE2 GLU A 74 -2.325 -17.357 4.839 1.00 0.00 O ATOM 0 H GLU A 74 -0.903 -13.127 3.437 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.140 -12.723 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.472 -14.698 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.308 -14.836 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.174 -14.964 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.048 -14.751 4.343 1.00 0.00 H new ATOM 997 N GLU A 75 1.819 -12.125 4.948 1.00 0.00 N ATOM 998 CA GLU A 75 3.133 -11.484 5.248 1.00 0.00 C ATOM 999 C GLU A 75 2.926 -9.991 5.512 1.00 0.00 C ATOM 1000 O GLU A 75 3.471 -9.427 6.441 1.00 0.00 O ATOM 1001 CB GLU A 75 4.065 -11.658 4.042 1.00 0.00 C ATOM 1002 CG GLU A 75 4.424 -13.142 3.858 1.00 0.00 C ATOM 1003 CD GLU A 75 3.306 -13.866 3.099 1.00 0.00 C ATOM 1004 OE1 GLU A 75 2.290 -13.244 2.839 1.00 0.00 O ATOM 1005 OE2 GLU A 75 3.486 -15.033 2.791 1.00 0.00 O ATOM 0 H GLU A 75 1.692 -12.416 3.979 1.00 0.00 H new ATOM 0 HA GLU A 75 3.574 -11.952 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.581 -11.279 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.973 -11.072 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.362 -13.232 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.576 -13.610 4.830 1.00 0.00 H new ATOM 1012 N LEU A 76 2.135 -9.357 4.696 1.00 0.00 N ATOM 1013 CA LEU A 76 1.877 -7.899 4.871 1.00 0.00 C ATOM 1014 C LEU A 76 1.192 -7.657 6.218 1.00 0.00 C ATOM 1015 O LEU A 76 1.445 -6.676 6.889 1.00 0.00 O ATOM 1016 CB LEU A 76 0.976 -7.405 3.730 1.00 0.00 C ATOM 1017 CG LEU A 76 0.696 -5.902 3.882 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.017 -5.116 3.878 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.181 -5.430 2.719 1.00 0.00 C ATOM 0 H LEU A 76 1.651 -9.788 3.908 1.00 0.00 H new ATOM 0 HA LEU A 76 2.820 -7.353 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.456 -7.597 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.037 -7.959 3.734 1.00 0.00 H new ATOM 0 HG LEU A 76 0.181 -5.728 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.808 -4.052 3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.641 -5.449 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.540 -5.289 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.382 -4.364 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.336 -5.611 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.123 -5.979 2.727 1.00 0.00 H new ATOM 1031 N ASP A 77 0.318 -8.541 6.607 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.403 -8.377 7.904 1.00 0.00 C ATOM 1033 C ASP A 77 0.616 -8.213 9.040 1.00 0.00 C ATOM 1034 O ASP A 77 0.376 -7.518 10.008 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.250 -9.631 8.162 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.234 -9.379 9.308 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.495 -8.223 9.595 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.711 -10.347 9.878 1.00 0.00 O ATOM 0 H ASP A 77 0.069 -9.378 6.080 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.043 -7.496 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.795 -9.903 7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.602 -10.472 8.408 1.00 0.00 H new ATOM 1043 N LYS A 78 1.752 -8.853 8.926 1.00 0.00 N ATOM 1044 CA LYS A 78 2.792 -8.749 9.998 1.00 0.00 C ATOM 1045 C LYS A 78 3.293 -7.299 10.108 1.00 0.00 C ATOM 1046 O LYS A 78 3.499 -6.783 11.188 1.00 0.00 O ATOM 1047 CB LYS A 78 3.971 -9.671 9.657 1.00 0.00 C ATOM 1048 CG LYS A 78 3.523 -11.137 9.732 1.00 0.00 C ATOM 1049 CD LYS A 78 4.698 -12.055 9.372 1.00 0.00 C ATOM 1050 CE LYS A 78 4.236 -13.516 9.375 1.00 0.00 C ATOM 1051 NZ LYS A 78 3.719 -13.875 10.726 1.00 0.00 N ATOM 0 H LYS A 78 2.006 -9.445 8.135 1.00 0.00 H new ATOM 0 HA LYS A 78 2.354 -9.048 10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.344 -9.446 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.793 -9.497 10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.163 -11.367 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.692 -11.309 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.090 -11.790 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.510 -11.919 10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.458 -13.663 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.065 -14.171 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.661 -14.910 10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.362 -13.502 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.773 -13.464 10.856 1.00 0.00 H new ATOM 1065 N MET A 79 3.486 -6.642 8.999 1.00 0.00 N ATOM 1066 CA MET A 79 3.970 -5.228 9.035 1.00 0.00 C ATOM 1067 C MET A 79 2.893 -4.347 9.672 1.00 0.00 C ATOM 1068 O MET A 79 3.180 -3.424 10.408 1.00 0.00 O ATOM 1069 CB MET A 79 4.235 -4.745 7.607 1.00 0.00 C ATOM 1070 CG MET A 79 5.379 -5.559 6.993 1.00 0.00 C ATOM 1071 SD MET A 79 6.922 -5.206 7.870 1.00 0.00 S ATOM 1072 CE MET A 79 7.368 -3.697 6.968 1.00 0.00 C ATOM 0 H MET A 79 3.330 -7.022 8.065 1.00 0.00 H new ATOM 0 HA MET A 79 4.890 -5.169 9.617 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.334 -4.852 7.003 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.491 -3.686 7.612 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.152 -6.624 7.051 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.486 -5.313 5.936 1.00 0.00 H new ATOM 0 HE1 MET A 79 8.257 -3.883 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.543 -3.404 6.318 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.573 -2.896 7.678 1.00 0.00 H new ATOM 1082 N PHE A 80 1.655 -4.629 9.384 1.00 0.00 N ATOM 1083 CA PHE A 80 0.542 -3.814 9.954 1.00 0.00 C ATOM 1084 C PHE A 80 0.499 -3.978 11.470 1.00 0.00 C ATOM 1085 O PHE A 80 0.558 -5.070 11.994 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.796 -4.283 9.349 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.061 -3.540 8.062 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.254 -3.771 6.942 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.106 -2.612 7.992 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -0.493 -3.071 5.754 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.345 -1.915 6.806 1.00 0.00 C ATOM 1092 CZ PHE A 80 -1.539 -2.143 5.687 1.00 0.00 C ATOM 0 H PHE A 80 1.362 -5.393 8.775 1.00 0.00 H new ATOM 0 HA PHE A 80 0.707 -2.764 9.713 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.765 -5.356 9.161 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.607 -4.107 10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.552 -4.488 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.729 -2.435 8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.129 -3.247 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.153 -1.200 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.723 -1.603 4.770 1.00 0.00 H new ATOM 1102 N GLN A 81 0.378 -2.884 12.165 1.00 0.00 N ATOM 1103 CA GLN A 81 0.308 -2.919 13.654 1.00 0.00 C ATOM 1104 C GLN A 81 -1.051 -2.392 14.098 1.00 0.00 C ATOM 1105 O GLN A 81 -1.509 -2.672 15.185 1.00 0.00 O ATOM 1106 CB GLN A 81 1.411 -2.025 14.220 1.00 0.00 C ATOM 1107 CG GLN A 81 2.765 -2.682 13.955 1.00 0.00 C ATOM 1108 CD GLN A 81 3.895 -1.766 14.430 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.253 -1.779 15.591 1.00 0.00 O ATOM 1110 NE2 GLN A 81 4.477 -0.970 13.577 1.00 0.00 N ATOM 0 H GLN A 81 0.324 -1.950 11.759 1.00 0.00 H new ATOM 0 HA GLN A 81 0.440 -3.939 14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.373 -1.040 13.756 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.266 -1.879 15.290 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.821 -3.640 14.472 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.876 -2.888 12.890 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.176 -0.959 12.602 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.233 -0.358 13.884 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.695 -1.621 13.258 1.00 0.00 N ATOM 1120 CA GLU A 82 -3.031 -1.050 13.612 1.00 0.00 C ATOM 1121 C GLU A 82 -4.101 -1.631 12.676 1.00 0.00 C ATOM 1122 O GLU A 82 -3.811 -2.018 11.560 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.975 0.478 13.459 1.00 0.00 C ATOM 1124 CG GLU A 82 -2.074 0.846 12.278 1.00 0.00 C ATOM 1125 CD GLU A 82 -0.601 0.739 12.689 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -0.252 1.299 13.716 1.00 0.00 O ATOM 1127 OE2 GLU A 82 0.149 0.100 11.972 1.00 0.00 O ATOM 0 H GLU A 82 -1.349 -1.361 12.334 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.285 -1.305 14.641 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.978 0.874 13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.594 0.931 14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.274 0.183 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.294 1.860 11.944 1.00 0.00 H new ATOM 1134 N PRO A 83 -5.329 -1.691 13.129 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.461 -2.236 12.321 1.00 0.00 C ATOM 1136 C PRO A 83 -6.794 -1.366 11.108 1.00 0.00 C ATOM 1137 O PRO A 83 -6.251 -0.295 10.920 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.639 -2.272 13.312 1.00 0.00 C ATOM 1139 CG PRO A 83 -7.297 -1.260 14.360 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.775 -1.255 14.462 1.00 0.00 C ATOM 0 HA PRO A 83 -6.220 -3.213 11.901 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.578 -2.025 12.817 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.759 -3.265 13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.673 -0.274 14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.751 -1.520 15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.394 -0.263 14.706 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.425 -1.932 15.242 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.680 -1.841 10.283 1.00 0.00 N ATOM 1149 CA ARG A 84 -8.063 -1.077 9.065 1.00 0.00 C ATOM 1150 C ARG A 84 -8.737 0.232 9.456 1.00 0.00 C ATOM 1151 O ARG A 84 -9.520 0.300 10.383 1.00 0.00 O ATOM 1152 CB ARG A 84 -9.021 -1.917 8.212 1.00 0.00 C ATOM 1153 CG ARG A 84 -8.268 -3.118 7.626 1.00 0.00 C ATOM 1154 CD ARG A 84 -9.231 -3.982 6.799 1.00 0.00 C ATOM 1155 NE ARG A 84 -10.235 -4.619 7.701 1.00 0.00 N ATOM 1156 CZ ARG A 84 -11.213 -5.340 7.208 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -11.331 -5.510 5.918 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -12.077 -5.891 8.015 1.00 0.00 N ATOM 0 H ARG A 84 -8.160 -2.733 10.400 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.165 -0.853 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.859 -2.261 8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.438 -1.309 7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.445 -2.773 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.830 -3.711 8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.736 -3.369 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.675 -4.748 6.259 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.160 -4.492 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.658 -5.080 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.096 -6.073 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.989 -5.760 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.840 -6.453 7.638 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.421 1.280 8.748 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.015 2.612 9.055 1.00 0.00 C ATOM 1174 C LYS A 85 -9.359 3.341 7.752 1.00 0.00 C ATOM 1175 O LYS A 85 -8.678 3.221 6.753 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.012 3.443 9.868 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.765 4.517 10.677 1.00 0.00 C ATOM 1178 CD LYS A 85 -9.197 3.934 12.028 1.00 0.00 C ATOM 1179 CE LYS A 85 -9.923 5.006 12.841 1.00 0.00 C ATOM 1180 NZ LYS A 85 -10.338 4.438 14.155 1.00 0.00 N ATOM 0 H LYS A 85 -7.771 1.271 7.962 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.927 2.476 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.449 2.796 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.291 3.915 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.125 5.385 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.638 4.860 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.851 3.076 11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.326 3.576 12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.270 5.865 12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.796 5.362 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.832 5.167 14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.975 3.631 13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.497 4.119 14.676 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.420 4.093 7.775 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.850 4.844 6.563 1.00 0.00 C ATOM 1196 C GLY A 86 -9.935 6.047 6.324 1.00 0.00 C ATOM 1197 O GLY A 86 -9.319 6.575 7.230 1.00 0.00 O ATOM 0 H GLY A 86 -11.017 4.222 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.830 4.186 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.880 5.181 6.683 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.857 6.473 5.097 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.001 7.639 4.740 1.00 0.00 C ATOM 1203 C TYR A 87 -9.492 8.893 5.471 1.00 0.00 C ATOM 1204 O TYR A 87 -8.718 9.675 5.986 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.077 7.869 3.231 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.311 9.121 2.875 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -6.914 9.093 2.823 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.000 10.310 2.599 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.204 10.255 2.494 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.290 11.469 2.271 1.00 0.00 C ATOM 1211 CZ TYR A 87 -6.892 11.442 2.217 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.192 12.585 1.893 1.00 0.00 O ATOM 0 H TYR A 87 -10.358 6.057 4.312 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.971 7.436 5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.662 7.012 2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.117 7.964 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.383 8.177 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.079 10.331 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.125 10.235 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.821 12.385 2.059 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.821 13.318 1.729 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.778 9.091 5.502 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.342 10.296 6.180 1.00 0.00 C ATOM 1224 C ASP A 88 -11.015 10.250 7.676 1.00 0.00 C ATOM 1225 O ASP A 88 -10.771 11.260 8.303 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.863 10.306 5.996 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.202 10.674 4.549 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.323 11.167 3.862 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.335 10.454 4.152 1.00 0.00 O ATOM 0 H ASP A 88 -11.470 8.468 5.085 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.907 11.195 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.275 9.327 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.318 11.022 6.680 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.025 9.082 8.249 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.736 8.949 9.709 1.00 0.00 C ATOM 1236 C GLU A 89 -9.310 9.411 10.016 1.00 0.00 C ATOM 1237 O GLU A 89 -9.088 10.226 10.891 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.883 7.475 10.113 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.364 7.105 10.280 1.00 0.00 C ATOM 1240 CD GLU A 89 -13.013 6.893 8.910 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.347 7.121 7.917 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -14.168 6.503 8.881 1.00 0.00 O ATOM 0 H GLU A 89 -11.222 8.204 7.768 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.436 9.569 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.427 6.838 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.350 7.293 11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.455 6.198 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.885 7.896 10.819 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.350 8.898 9.307 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.935 9.298 9.556 1.00 0.00 C ATOM 1251 C ILE A 90 -6.755 10.781 9.229 1.00 0.00 C ATOM 1252 O ILE A 90 -6.024 11.494 9.888 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.007 8.454 8.676 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.498 8.488 7.225 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.004 7.010 9.175 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.538 7.693 6.336 1.00 0.00 C ATOM 0 H ILE A 90 -8.481 8.215 8.561 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.687 9.133 10.605 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.997 8.861 8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.501 8.067 7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.562 9.519 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.344 6.410 8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.651 6.982 10.206 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.015 6.606 9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.891 7.720 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.542 8.134 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.497 6.659 6.679 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.413 11.238 8.205 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.292 12.663 7.800 1.00 0.00 C ATOM 1270 C LEU A 91 -7.821 13.572 8.912 1.00 0.00 C ATOM 1271 O LEU A 91 -7.235 14.587 9.237 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.126 12.895 6.533 1.00 0.00 C ATOM 1273 CG LEU A 91 -8.058 14.372 6.118 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -6.595 14.781 5.897 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.855 14.576 4.826 1.00 0.00 C ATOM 0 H LEU A 91 -8.037 10.678 7.624 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.243 12.894 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.756 12.265 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.162 12.607 6.713 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.485 14.991 6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.551 15.830 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.034 14.639 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.160 14.165 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.807 15.624 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.431 13.957 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.894 14.293 4.991 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.935 13.217 9.481 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.528 14.048 10.566 1.00 0.00 C ATOM 1289 C GLU A 92 -8.675 13.900 11.829 1.00 0.00 C ATOM 1290 O GLU A 92 -8.463 14.839 12.570 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.958 13.569 10.847 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.863 13.916 9.659 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.264 13.333 9.878 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -13.481 12.732 10.917 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -14.097 13.501 9.002 1.00 0.00 O ATOM 0 H GLU A 92 -9.466 12.380 9.241 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.553 15.095 10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.964 12.493 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.337 14.039 11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.925 14.998 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.435 13.520 8.738 1.00 0.00 H new