USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot 23:sc= -0.0793 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.58 X(o=-0.58,f=-1.1) USER MOD Single : A 13 MET CE :methyl -162:sc= -0.155 (180deg=-1.29) USER MOD Single : A 14 SER OG : rot 180:sc= -0.489 USER MOD Single : A 17 MET CE :methyl 136:sc= -0.488 (180deg=-2.49!) USER MOD Single : A 18 GLN : amide:sc= -0.0104 X(o=-0.01,f=0.031) USER MOD Single : A 19 GLN : amide:sc= -4.03! C(o=-4!,f=-6.3!) USER MOD Single : A 24 CYS SG : rot 76:sc= 0.357 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00158 X(o=-0.0016,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -76:sc= 0.00382 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -0.0165 (180deg=-0.267) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 150:sc= -1.96 USER MOD Single : A 51 ASN : amide:sc= -0.265 K(o=-0.26,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 100:sc= 0.793 USER MOD Single : A 55 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.1) USER MOD Single : A 56 CYS SG : rot -165:sc= -4.87! USER MOD Single : A 61 ASN : amide:sc= -0.0377 K(o=-0.038,f=-8.6!) USER MOD Single : A 64 SER OG : rot 59:sc= 1.1 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -70:sc= -1.51 USER MOD Single : A 72 HIS :FLIP no HE2:sc= -0.631 F(o=-2.3,f=-0.63) USER MOD Single : A 77 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 87 LYS NZ :NH3+ -110:sc= -10.5! (180deg=-12.1!) USER MOD Single : A 88 SER OG : rot -4:sc= 0.703! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.610 19.391 -13.982 1.00 0.00 N ATOM 2 CA MET A 1 -12.713 19.145 -13.071 1.00 0.00 C ATOM 3 C MET A 1 -12.211 18.967 -11.636 1.00 0.00 C ATOM 4 O MET A 1 -11.005 18.927 -11.398 1.00 0.00 O ATOM 5 CB MET A 1 -13.467 17.888 -13.508 1.00 0.00 C ATOM 6 CG MET A 1 -14.520 18.220 -14.567 1.00 0.00 C ATOM 7 SD MET A 1 -15.907 17.105 -14.420 1.00 0.00 S ATOM 8 CE MET A 1 -17.076 18.174 -13.598 1.00 0.00 C ATOM 0 H1 MET A 1 -11.704 20.342 -14.392 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.711 19.324 -13.464 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.624 18.683 -14.744 1.00 0.00 H new ATOM 0 HA MET A 1 -13.380 20.007 -13.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.763 17.158 -13.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.947 17.429 -12.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.856 19.250 -14.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.084 18.141 -15.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.007 17.633 -13.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.664 18.497 -12.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.273 19.046 -14.222 1.00 0.00 H new ATOM 18 N SER A 2 -13.161 18.864 -10.718 1.00 0.00 N ATOM 19 CA SER A 2 -12.830 18.690 -9.314 1.00 0.00 C ATOM 20 C SER A 2 -12.960 17.217 -8.925 1.00 0.00 C ATOM 21 O SER A 2 -13.996 16.795 -8.415 1.00 0.00 O ATOM 22 CB SER A 2 -13.726 19.555 -8.426 1.00 0.00 C ATOM 23 OG SER A 2 -13.180 20.855 -8.220 1.00 0.00 O ATOM 0 H SER A 2 -14.160 18.898 -10.919 1.00 0.00 H new ATOM 0 HA SER A 2 -11.799 19.009 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.711 19.644 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.865 19.063 -7.463 1.00 0.00 H new ATOM 0 HG SER A 2 -13.783 21.376 -7.650 1.00 0.00 H new ATOM 29 N ASP A 3 -11.892 16.474 -9.179 1.00 0.00 N ATOM 30 CA ASP A 3 -11.873 15.057 -8.860 1.00 0.00 C ATOM 31 C ASP A 3 -10.423 14.576 -8.782 1.00 0.00 C ATOM 32 O ASP A 3 -9.707 14.582 -9.783 1.00 0.00 O ATOM 33 CB ASP A 3 -12.584 14.240 -9.941 1.00 0.00 C ATOM 34 CG ASP A 3 -13.682 13.306 -9.429 1.00 0.00 C ATOM 35 OD1 ASP A 3 -13.975 13.266 -8.225 1.00 0.00 O ATOM 36 OD2 ASP A 3 -14.255 12.589 -10.334 1.00 0.00 O ATOM 0 H ASP A 3 -11.034 16.827 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.385 14.919 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.021 14.927 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.841 13.646 -10.473 1.00 0.00 H new ATOM 42 N ARG A 4 -10.031 14.169 -7.583 1.00 0.00 N ATOM 43 CA ARG A 4 -8.680 13.684 -7.362 1.00 0.00 C ATOM 44 C ARG A 4 -8.664 12.650 -6.236 1.00 0.00 C ATOM 45 O ARG A 4 -7.865 12.750 -5.305 1.00 0.00 O ATOM 46 CB ARG A 4 -7.735 14.834 -7.001 1.00 0.00 C ATOM 47 CG ARG A 4 -7.458 15.718 -8.218 1.00 0.00 C ATOM 48 CD ARG A 4 -6.679 16.973 -7.819 1.00 0.00 C ATOM 49 NE ARG A 4 -5.363 16.989 -8.495 1.00 0.00 N ATOM 50 CZ ARG A 4 -4.287 17.664 -8.041 1.00 0.00 C ATOM 51 NH1 ARG A 4 -4.361 18.386 -6.902 1.00 0.00 N ATOM 52 NH2 ARG A 4 -3.160 17.610 -8.726 1.00 0.00 N ATOM 0 H ARG A 4 -10.626 14.165 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.338 13.223 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.174 15.434 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.797 14.432 -6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.892 15.155 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.400 16.004 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.246 17.864 -8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.542 16.997 -6.738 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.263 16.456 -9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.235 18.424 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.543 18.893 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.111 17.063 -9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.338 18.115 -8.396 1.00 0.00 H new ATOM 65 N LYS A 5 -9.557 11.677 -6.358 1.00 0.00 N ATOM 66 CA LYS A 5 -9.656 10.623 -5.362 1.00 0.00 C ATOM 67 C LYS A 5 -8.415 9.734 -5.441 1.00 0.00 C ATOM 68 O LYS A 5 -7.612 9.862 -6.366 1.00 0.00 O ATOM 69 CB LYS A 5 -10.972 9.859 -5.519 1.00 0.00 C ATOM 70 CG LYS A 5 -11.876 10.067 -4.304 1.00 0.00 C ATOM 71 CD LYS A 5 -13.345 10.161 -4.723 1.00 0.00 C ATOM 72 CE LYS A 5 -14.249 10.370 -3.507 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.829 9.081 -3.065 1.00 0.00 N ATOM 0 H LYS A 5 -10.218 11.597 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.680 11.048 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.486 10.194 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.766 8.796 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.746 9.242 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.584 10.978 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.475 10.986 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.637 9.250 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.677 10.816 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.048 11.069 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.440 9.240 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.391 8.670 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.063 8.426 -2.808 1.00 0.00 H new ATOM 85 N ALA A 6 -8.295 8.850 -4.460 1.00 0.00 N ATOM 86 CA ALA A 6 -7.163 7.940 -4.408 1.00 0.00 C ATOM 87 C ALA A 6 -6.858 7.430 -5.818 1.00 0.00 C ATOM 88 O ALA A 6 -7.772 7.116 -6.579 1.00 0.00 O ATOM 89 CB ALA A 6 -7.469 6.803 -3.431 1.00 0.00 C ATOM 0 H ALA A 6 -8.963 8.745 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.273 8.454 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.621 6.120 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.650 7.215 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.354 6.263 -3.767 1.00 0.00 H new ATOM 95 N VAL A 7 -5.570 7.364 -6.124 1.00 0.00 N ATOM 96 CA VAL A 7 -5.135 6.899 -7.429 1.00 0.00 C ATOM 97 C VAL A 7 -4.138 5.752 -7.248 1.00 0.00 C ATOM 98 O VAL A 7 -3.420 5.699 -6.251 1.00 0.00 O ATOM 99 CB VAL A 7 -4.562 8.065 -8.237 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.949 7.575 -9.550 1.00 0.00 C ATOM 101 CG2 VAL A 7 -5.630 9.130 -8.493 1.00 0.00 C ATOM 0 H VAL A 7 -4.815 7.625 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.980 6.512 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.767 8.522 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.549 8.424 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.145 6.871 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.715 7.080 -10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.197 9.948 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.456 8.690 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.999 9.512 -7.541 1.00 0.00 H new ATOM 111 N ILE A 8 -4.127 4.860 -8.229 1.00 0.00 N ATOM 112 CA ILE A 8 -3.231 3.717 -8.192 1.00 0.00 C ATOM 113 C ILE A 8 -2.372 3.707 -9.459 1.00 0.00 C ATOM 114 O ILE A 8 -2.856 4.022 -10.543 1.00 0.00 O ATOM 115 CB ILE A 8 -4.021 2.425 -7.974 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.334 2.218 -6.490 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.287 1.225 -8.577 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.830 1.974 -6.275 1.00 0.00 C ATOM 0 H ILE A 8 -4.725 4.906 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.549 3.794 -7.345 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.974 2.515 -8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.765 1.370 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.019 3.094 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.870 0.320 -8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.157 1.379 -9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.310 1.121 -8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.026 1.830 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.394 2.834 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.136 1.084 -6.824 1.00 0.00 H new ATOM 130 N LYS A 9 -1.111 3.340 -9.276 1.00 0.00 N ATOM 131 CA LYS A 9 -0.181 3.284 -10.390 1.00 0.00 C ATOM 132 C LYS A 9 -0.094 1.846 -10.906 1.00 0.00 C ATOM 133 O LYS A 9 -0.562 1.547 -12.004 1.00 0.00 O ATOM 134 CB LYS A 9 1.172 3.875 -9.988 1.00 0.00 C ATOM 135 CG LYS A 9 1.243 5.364 -10.330 1.00 0.00 C ATOM 136 CD LYS A 9 1.155 6.223 -9.066 1.00 0.00 C ATOM 137 CE LYS A 9 2.549 6.558 -8.534 1.00 0.00 C ATOM 138 NZ LYS A 9 2.991 7.880 -9.034 1.00 0.00 N ATOM 0 H LYS A 9 -0.713 3.079 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.540 3.898 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.330 3.736 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.973 3.342 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.175 5.576 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.430 5.624 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.614 7.144 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.587 5.694 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.538 6.560 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.257 5.790 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.939 8.092 -8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.021 7.866 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.324 8.612 -8.717 1.00 0.00 H new ATOM 150 N ASN A 10 0.507 0.993 -10.089 1.00 0.00 N ATOM 151 CA ASN A 10 0.660 -0.406 -10.448 1.00 0.00 C ATOM 152 C ASN A 10 0.316 -1.280 -9.240 1.00 0.00 C ATOM 153 O ASN A 10 1.070 -1.328 -8.270 1.00 0.00 O ATOM 154 CB ASN A 10 2.101 -0.716 -10.859 1.00 0.00 C ATOM 155 CG ASN A 10 2.558 0.208 -11.990 1.00 0.00 C ATOM 156 OD1 ASN A 10 1.779 0.648 -12.821 1.00 0.00 O ATOM 157 ND2 ASN A 10 3.860 0.477 -11.977 1.00 0.00 N ATOM 0 H ASN A 10 0.894 1.244 -9.179 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.007 -0.613 -11.285 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.761 -0.599 -10.000 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.176 -1.755 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.262 1.084 -12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.456 0.076 -11.253 1.00 0.00 H new ATOM 164 N ALA A 11 -0.824 -1.948 -9.338 1.00 0.00 N ATOM 165 CA ALA A 11 -1.278 -2.817 -8.266 1.00 0.00 C ATOM 166 C ALA A 11 -2.242 -3.860 -8.834 1.00 0.00 C ATOM 167 O ALA A 11 -3.387 -3.956 -8.396 1.00 0.00 O ATOM 168 CB ALA A 11 -1.917 -1.972 -7.162 1.00 0.00 C ATOM 0 H ALA A 11 -1.447 -1.905 -10.144 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.438 -3.352 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.258 -2.623 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.183 -1.267 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.766 -1.423 -7.569 1.00 0.00 H new ATOM 174 N ASP A 12 -1.742 -4.616 -9.801 1.00 0.00 N ATOM 175 CA ASP A 12 -2.546 -5.648 -10.433 1.00 0.00 C ATOM 176 C ASP A 12 -3.196 -6.516 -9.354 1.00 0.00 C ATOM 177 O ASP A 12 -4.314 -6.241 -8.922 1.00 0.00 O ATOM 178 CB ASP A 12 -1.683 -6.556 -11.312 1.00 0.00 C ATOM 179 CG ASP A 12 -1.476 -6.061 -12.745 1.00 0.00 C ATOM 180 OD1 ASP A 12 -2.245 -6.402 -13.656 1.00 0.00 O ATOM 181 OD2 ASP A 12 -0.459 -5.285 -12.911 1.00 0.00 O ATOM 0 H ASP A 12 -0.791 -4.534 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.300 -5.158 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.708 -6.674 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.141 -7.544 -11.348 1.00 0.00 H new ATOM 187 N MET A 13 -2.468 -7.545 -8.948 1.00 0.00 N ATOM 188 CA MET A 13 -2.960 -8.455 -7.928 1.00 0.00 C ATOM 189 C MET A 13 -4.465 -8.683 -8.075 1.00 0.00 C ATOM 190 O MET A 13 -5.018 -8.509 -9.161 1.00 0.00 O ATOM 191 CB MET A 13 -2.665 -7.874 -6.542 1.00 0.00 C ATOM 192 CG MET A 13 -1.977 -8.908 -5.650 1.00 0.00 C ATOM 193 SD MET A 13 -0.238 -8.532 -5.510 1.00 0.00 S ATOM 194 CE MET A 13 0.254 -8.700 -7.218 1.00 0.00 C ATOM 0 H MET A 13 -1.540 -7.769 -9.307 1.00 0.00 H new ATOM 0 HA MET A 13 -2.454 -9.413 -8.047 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.030 -6.993 -6.640 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.594 -7.547 -6.076 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.437 -8.912 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.109 -9.906 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.336 -8.817 -7.275 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.229 -9.576 -7.651 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.045 -7.810 -7.772 1.00 0.00 H new ATOM 204 N SER A 14 -5.086 -9.069 -6.971 1.00 0.00 N ATOM 205 CA SER A 14 -6.516 -9.323 -6.963 1.00 0.00 C ATOM 206 C SER A 14 -7.239 -8.225 -6.180 1.00 0.00 C ATOM 207 O SER A 14 -6.835 -7.883 -5.068 1.00 0.00 O ATOM 208 CB SER A 14 -6.828 -10.697 -6.367 1.00 0.00 C ATOM 209 OG SER A 14 -8.210 -10.837 -6.049 1.00 0.00 O ATOM 0 H SER A 14 -4.624 -9.212 -6.073 1.00 0.00 H new ATOM 0 HA SER A 14 -6.871 -9.316 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.538 -11.474 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.231 -10.846 -5.467 1.00 0.00 H new ATOM 0 HG SER A 14 -8.370 -11.727 -5.673 1.00 0.00 H new ATOM 215 N GLU A 15 -8.295 -7.705 -6.787 1.00 0.00 N ATOM 216 CA GLU A 15 -9.077 -6.654 -6.159 1.00 0.00 C ATOM 217 C GLU A 15 -9.341 -6.994 -4.691 1.00 0.00 C ATOM 218 O GLU A 15 -9.578 -6.103 -3.877 1.00 0.00 O ATOM 219 CB GLU A 15 -10.388 -6.422 -6.912 1.00 0.00 C ATOM 220 CG GLU A 15 -10.672 -4.927 -7.071 1.00 0.00 C ATOM 221 CD GLU A 15 -12.166 -4.673 -7.286 1.00 0.00 C ATOM 222 OE1 GLU A 15 -12.558 -4.118 -8.323 1.00 0.00 O ATOM 223 OE2 GLU A 15 -12.931 -5.074 -6.327 1.00 0.00 O ATOM 0 H GLU A 15 -8.628 -7.992 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.504 -5.728 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.336 -6.892 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.209 -6.897 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.332 -4.392 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.107 -4.534 -7.916 1.00 0.00 H new ATOM 231 N GLU A 16 -9.290 -8.285 -4.398 1.00 0.00 N ATOM 232 CA GLU A 16 -9.522 -8.755 -3.042 1.00 0.00 C ATOM 233 C GLU A 16 -8.549 -8.077 -2.073 1.00 0.00 C ATOM 234 O GLU A 16 -8.966 -7.316 -1.202 1.00 0.00 O ATOM 235 CB GLU A 16 -9.404 -10.278 -2.961 1.00 0.00 C ATOM 236 CG GLU A 16 -10.699 -10.900 -2.436 1.00 0.00 C ATOM 237 CD GLU A 16 -10.863 -10.644 -0.936 1.00 0.00 C ATOM 238 OE1 GLU A 16 -10.226 -11.324 -0.119 1.00 0.00 O ATOM 239 OE2 GLU A 16 -11.685 -9.698 -0.632 1.00 0.00 O ATOM 0 H GLU A 16 -9.091 -9.021 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.539 -8.487 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.176 -10.682 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.575 -10.548 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.551 -10.484 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.694 -11.973 -2.627 1.00 0.00 H new ATOM 247 N MET A 17 -7.273 -8.381 -2.258 1.00 0.00 N ATOM 248 CA MET A 17 -6.238 -7.810 -1.412 1.00 0.00 C ATOM 249 C MET A 17 -5.917 -6.374 -1.831 1.00 0.00 C ATOM 250 O MET A 17 -5.644 -5.524 -0.985 1.00 0.00 O ATOM 251 CB MET A 17 -4.973 -8.666 -1.505 1.00 0.00 C ATOM 252 CG MET A 17 -4.337 -8.552 -2.891 1.00 0.00 C ATOM 253 SD MET A 17 -3.243 -7.141 -2.947 1.00 0.00 S ATOM 254 CE MET A 17 -2.029 -7.642 -1.739 1.00 0.00 C ATOM 0 H MET A 17 -6.932 -9.015 -2.981 1.00 0.00 H new ATOM 0 HA MET A 17 -6.602 -7.795 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.258 -8.349 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.218 -9.708 -1.298 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.783 -9.462 -3.122 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.113 -8.451 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.029 -7.431 -2.119 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.189 -7.091 -0.812 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.126 -8.711 -1.547 1.00 0.00 H new ATOM 264 N GLN A 18 -5.957 -6.149 -3.136 1.00 0.00 N ATOM 265 CA GLN A 18 -5.674 -4.830 -3.677 1.00 0.00 C ATOM 266 C GLN A 18 -6.668 -3.806 -3.129 1.00 0.00 C ATOM 267 O GLN A 18 -6.274 -2.733 -2.677 1.00 0.00 O ATOM 268 CB GLN A 18 -5.693 -4.851 -5.207 1.00 0.00 C ATOM 269 CG GLN A 18 -5.302 -3.487 -5.778 1.00 0.00 C ATOM 270 CD GLN A 18 -6.226 -3.089 -6.930 1.00 0.00 C ATOM 271 OE1 GLN A 18 -6.201 -3.663 -8.006 1.00 0.00 O ATOM 272 NE2 GLN A 18 -7.039 -2.076 -6.645 1.00 0.00 N ATOM 0 H GLN A 18 -6.181 -6.858 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.672 -4.536 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.005 -5.613 -5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.688 -5.125 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.349 -2.733 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.270 -3.518 -6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.008 -1.641 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.694 -1.734 -7.348 1.00 0.00 H new ATOM 281 N GLN A 19 -7.940 -4.174 -3.189 1.00 0.00 N ATOM 282 CA GLN A 19 -8.995 -3.301 -2.704 1.00 0.00 C ATOM 283 C GLN A 19 -8.954 -3.214 -1.178 1.00 0.00 C ATOM 284 O GLN A 19 -8.892 -2.122 -0.615 1.00 0.00 O ATOM 285 CB GLN A 19 -10.366 -3.775 -3.189 1.00 0.00 C ATOM 286 CG GLN A 19 -11.403 -2.655 -3.085 1.00 0.00 C ATOM 287 CD GLN A 19 -11.446 -2.077 -1.668 1.00 0.00 C ATOM 288 OE1 GLN A 19 -11.130 -0.923 -1.431 1.00 0.00 O ATOM 289 NE2 GLN A 19 -11.857 -2.943 -0.745 1.00 0.00 N ATOM 0 H GLN A 19 -8.263 -5.065 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.828 -2.303 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.293 -4.113 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.689 -4.631 -2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.163 -1.865 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.387 -3.039 -3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.106 -3.895 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.923 -2.655 0.231 1.00 0.00 H new ATOM 298 N ASP A 20 -8.988 -4.380 -0.549 1.00 0.00 N ATOM 299 CA ASP A 20 -8.956 -4.451 0.902 1.00 0.00 C ATOM 300 C ASP A 20 -7.794 -3.602 1.422 1.00 0.00 C ATOM 301 O ASP A 20 -7.954 -2.841 2.375 1.00 0.00 O ATOM 302 CB ASP A 20 -8.742 -5.889 1.379 1.00 0.00 C ATOM 303 CG ASP A 20 -8.980 -6.115 2.873 1.00 0.00 C ATOM 304 OD1 ASP A 20 -8.076 -5.919 3.701 1.00 0.00 O ATOM 305 OD2 ASP A 20 -10.166 -6.517 3.181 1.00 0.00 O ATOM 0 H ASP A 20 -9.037 -5.284 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.911 -4.085 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.406 -6.545 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.721 -6.188 1.139 1.00 0.00 H new ATOM 311 N ALA A 21 -6.648 -3.763 0.776 1.00 0.00 N ATOM 312 CA ALA A 21 -5.461 -3.021 1.161 1.00 0.00 C ATOM 313 C ALA A 21 -5.679 -1.533 0.878 1.00 0.00 C ATOM 314 O ALA A 21 -5.874 -0.745 1.802 1.00 0.00 O ATOM 315 CB ALA A 21 -4.245 -3.583 0.421 1.00 0.00 C ATOM 0 H ALA A 21 -6.517 -4.397 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.272 -3.129 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.354 -3.026 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.116 -4.634 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.398 -3.490 -0.654 1.00 0.00 H new ATOM 321 N VAL A 22 -5.639 -1.194 -0.403 1.00 0.00 N ATOM 322 CA VAL A 22 -5.830 0.184 -0.817 1.00 0.00 C ATOM 323 C VAL A 22 -6.881 0.843 0.080 1.00 0.00 C ATOM 324 O VAL A 22 -6.800 2.036 0.364 1.00 0.00 O ATOM 325 CB VAL A 22 -6.194 0.238 -2.301 1.00 0.00 C ATOM 326 CG1 VAL A 22 -7.712 0.198 -2.495 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.589 1.474 -2.971 1.00 0.00 C ATOM 0 H VAL A 22 -5.477 -1.851 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.905 0.748 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.770 -0.644 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.944 0.238 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.109 -0.725 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.166 1.052 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.864 1.487 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.969 2.373 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.503 1.443 -2.879 1.00 0.00 H new ATOM 337 N ASP A 23 -7.841 0.033 0.502 1.00 0.00 N ATOM 338 CA ASP A 23 -8.905 0.522 1.363 1.00 0.00 C ATOM 339 C ASP A 23 -8.313 0.959 2.703 1.00 0.00 C ATOM 340 O ASP A 23 -8.402 2.129 3.072 1.00 0.00 O ATOM 341 CB ASP A 23 -9.938 -0.573 1.637 1.00 0.00 C ATOM 342 CG ASP A 23 -11.220 -0.097 2.321 1.00 0.00 C ATOM 343 OD1 ASP A 23 -11.599 -0.597 3.391 1.00 0.00 O ATOM 344 OD2 ASP A 23 -11.851 0.845 1.703 1.00 0.00 O ATOM 0 H ASP A 23 -7.904 -0.957 0.264 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.389 1.358 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.203 -1.046 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.476 -1.340 2.259 1.00 0.00 H new ATOM 350 N CYS A 24 -7.721 -0.004 3.394 1.00 0.00 N ATOM 351 CA CYS A 24 -7.114 0.268 4.686 1.00 0.00 C ATOM 352 C CYS A 24 -6.065 1.365 4.503 1.00 0.00 C ATOM 353 O CYS A 24 -5.810 2.145 5.419 1.00 0.00 O ATOM 354 CB CYS A 24 -6.515 -0.997 5.307 1.00 0.00 C ATOM 355 SG CYS A 24 -7.827 -2.243 5.575 1.00 0.00 S ATOM 0 H CYS A 24 -7.649 -0.973 3.084 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.878 0.610 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.744 -1.404 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.033 -0.754 6.254 1.00 0.00 H new ATOM 0 HG CYS A 24 -8.150 -2.785 4.438 1.00 0.00 H new ATOM 361 N ALA A 25 -5.485 1.391 3.312 1.00 0.00 N ATOM 362 CA ALA A 25 -4.468 2.381 2.997 1.00 0.00 C ATOM 363 C ALA A 25 -5.105 3.773 2.979 1.00 0.00 C ATOM 364 O ALA A 25 -4.904 4.563 3.899 1.00 0.00 O ATOM 365 CB ALA A 25 -3.805 2.026 1.664 1.00 0.00 C ATOM 0 H ALA A 25 -5.699 0.743 2.554 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.688 2.385 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.043 2.768 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.343 1.042 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.557 2.015 0.875 1.00 0.00 H new ATOM 371 N THR A 26 -5.860 4.029 1.921 1.00 0.00 N ATOM 372 CA THR A 26 -6.528 5.310 1.770 1.00 0.00 C ATOM 373 C THR A 26 -7.236 5.697 3.069 1.00 0.00 C ATOM 374 O THR A 26 -7.129 6.835 3.526 1.00 0.00 O ATOM 375 CB THR A 26 -7.469 5.215 0.568 1.00 0.00 C ATOM 376 OG1 THR A 26 -7.797 6.572 0.276 1.00 0.00 O ATOM 377 CG2 THR A 26 -8.812 4.575 0.926 1.00 0.00 C ATOM 0 H THR A 26 -6.024 3.370 1.160 1.00 0.00 H new ATOM 0 HA THR A 26 -5.813 6.109 1.576 1.00 0.00 H new ATOM 0 HB THR A 26 -6.991 4.637 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.404 6.604 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.443 4.531 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.645 3.566 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.306 5.171 1.693 1.00 0.00 H new ATOM 385 N GLN A 27 -7.948 4.730 3.628 1.00 0.00 N ATOM 386 CA GLN A 27 -8.676 4.955 4.865 1.00 0.00 C ATOM 387 C GLN A 27 -7.714 5.381 5.977 1.00 0.00 C ATOM 388 O GLN A 27 -8.002 6.312 6.728 1.00 0.00 O ATOM 389 CB GLN A 27 -9.465 3.708 5.272 1.00 0.00 C ATOM 390 CG GLN A 27 -10.685 3.513 4.369 1.00 0.00 C ATOM 391 CD GLN A 27 -11.950 4.066 5.028 1.00 0.00 C ATOM 392 OE1 GLN A 27 -12.503 3.489 5.950 1.00 0.00 O ATOM 393 NE2 GLN A 27 -12.374 5.214 4.507 1.00 0.00 N ATOM 0 H GLN A 27 -8.036 3.788 3.247 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.392 5.761 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.821 2.831 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.787 3.799 6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.519 4.014 3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.817 2.453 4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.863 5.643 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.210 5.665 4.879 1.00 0.00 H new ATOM 402 N ALA A 28 -6.592 4.680 6.046 1.00 0.00 N ATOM 403 CA ALA A 28 -5.586 4.975 7.053 1.00 0.00 C ATOM 404 C ALA A 28 -5.196 6.452 6.960 1.00 0.00 C ATOM 405 O ALA A 28 -5.209 7.165 7.961 1.00 0.00 O ATOM 406 CB ALA A 28 -4.389 4.042 6.867 1.00 0.00 C ATOM 0 H ALA A 28 -6.357 3.909 5.421 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.981 4.801 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.635 4.263 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.715 3.007 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.963 4.190 5.875 1.00 0.00 H new ATOM 412 N LEU A 29 -4.856 6.864 5.748 1.00 0.00 N ATOM 413 CA LEU A 29 -4.461 8.243 5.511 1.00 0.00 C ATOM 414 C LEU A 29 -5.660 9.161 5.757 1.00 0.00 C ATOM 415 O LEU A 29 -5.490 10.329 6.101 1.00 0.00 O ATOM 416 CB LEU A 29 -3.847 8.394 4.118 1.00 0.00 C ATOM 417 CG LEU A 29 -2.864 9.552 3.939 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.175 9.480 2.575 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.555 10.898 4.164 1.00 0.00 C ATOM 0 H LEU A 29 -4.846 6.268 4.920 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.681 8.541 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.334 7.466 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.656 8.516 3.398 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.086 9.460 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.481 10.315 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.627 8.541 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.925 9.533 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.834 11.704 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.367 11.015 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.958 10.935 5.176 1.00 0.00 H new ATOM 431 N GLU A 30 -6.844 8.598 5.571 1.00 0.00 N ATOM 432 CA GLU A 30 -8.071 9.352 5.768 1.00 0.00 C ATOM 433 C GLU A 30 -8.480 9.323 7.243 1.00 0.00 C ATOM 434 O GLU A 30 -9.530 9.847 7.611 1.00 0.00 O ATOM 435 CB GLU A 30 -9.192 8.816 4.877 1.00 0.00 C ATOM 436 CG GLU A 30 -9.867 9.953 4.105 1.00 0.00 C ATOM 437 CD GLU A 30 -8.900 10.587 3.104 1.00 0.00 C ATOM 438 OE1 GLU A 30 -7.678 10.417 3.231 1.00 0.00 O ATOM 439 OE2 GLU A 30 -9.458 11.277 2.168 1.00 0.00 O ATOM 0 H GLU A 30 -6.981 7.628 5.286 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.889 10.388 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.787 8.085 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.931 8.297 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.742 9.571 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.221 10.711 4.803 1.00 0.00 H new ATOM 447 N LYS A 31 -7.630 8.702 8.048 1.00 0.00 N ATOM 448 CA LYS A 31 -7.891 8.597 9.474 1.00 0.00 C ATOM 449 C LYS A 31 -6.692 9.145 10.249 1.00 0.00 C ATOM 450 O LYS A 31 -6.861 9.860 11.236 1.00 0.00 O ATOM 451 CB LYS A 31 -8.258 7.158 9.846 1.00 0.00 C ATOM 452 CG LYS A 31 -8.106 6.926 11.350 1.00 0.00 C ATOM 453 CD LYS A 31 -8.505 5.498 11.729 1.00 0.00 C ATOM 454 CE LYS A 31 -9.336 5.483 13.014 1.00 0.00 C ATOM 455 NZ LYS A 31 -10.370 4.426 12.951 1.00 0.00 N ATOM 0 H LYS A 31 -6.760 8.267 7.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.753 9.204 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.285 6.951 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.619 6.463 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.073 7.110 11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.726 7.637 11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.077 5.049 10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.610 4.890 11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.686 5.313 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.809 6.454 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.925 4.430 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.001 4.605 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.913 3.499 12.834 1.00 0.00 H new ATOM 467 N TYR A 32 -5.507 8.791 9.773 1.00 0.00 N ATOM 468 CA TYR A 32 -4.281 9.239 10.409 1.00 0.00 C ATOM 469 C TYR A 32 -3.574 10.294 9.554 1.00 0.00 C ATOM 470 O TYR A 32 -3.839 10.409 8.359 1.00 0.00 O ATOM 471 CB TYR A 32 -3.385 8.004 10.518 1.00 0.00 C ATOM 472 CG TYR A 32 -3.599 7.190 11.795 1.00 0.00 C ATOM 473 CD1 TYR A 32 -2.936 7.542 12.954 1.00 0.00 C ATOM 474 CD2 TYR A 32 -4.452 6.107 11.789 1.00 0.00 C ATOM 475 CE1 TYR A 32 -3.138 6.776 14.157 1.00 0.00 C ATOM 476 CE2 TYR A 32 -4.653 5.341 12.992 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.985 5.714 14.116 1.00 0.00 C ATOM 478 OH TYR A 32 -4.175 4.992 15.252 1.00 0.00 O ATOM 0 H TYR A 32 -5.371 8.199 8.954 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.494 9.687 11.380 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.563 7.361 9.656 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.343 8.319 10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.267 8.390 12.958 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.970 5.833 10.882 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.628 7.040 15.071 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.319 4.490 13.001 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.807 4.264 15.075 1.00 0.00 H new ATOM 488 N ASN A 33 -2.687 11.037 10.201 1.00 0.00 N ATOM 489 CA ASN A 33 -1.941 12.078 9.516 1.00 0.00 C ATOM 490 C ASN A 33 -0.455 11.712 9.506 1.00 0.00 C ATOM 491 O ASN A 33 0.291 12.155 8.635 1.00 0.00 O ATOM 492 CB ASN A 33 -2.091 13.424 10.228 1.00 0.00 C ATOM 493 CG ASN A 33 -1.686 14.579 9.310 1.00 0.00 C ATOM 494 OD1 ASN A 33 -0.526 14.935 9.193 1.00 0.00 O ATOM 495 ND2 ASN A 33 -2.705 15.141 8.667 1.00 0.00 N ATOM 0 H ASN A 33 -2.469 10.938 11.192 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.333 12.161 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.124 13.556 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.473 13.435 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.539 15.920 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.653 14.793 8.811 1.00 0.00 H new ATOM 502 N ILE A 34 -0.071 10.906 10.485 1.00 0.00 N ATOM 503 CA ILE A 34 1.311 10.474 10.599 1.00 0.00 C ATOM 504 C ILE A 34 1.538 9.259 9.698 1.00 0.00 C ATOM 505 O ILE A 34 1.445 8.119 10.153 1.00 0.00 O ATOM 506 CB ILE A 34 1.677 10.231 12.065 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.293 11.430 12.933 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.157 9.872 12.209 1.00 0.00 C ATOM 509 CD1 ILE A 34 0.008 11.150 13.716 1.00 0.00 C ATOM 0 H ILE A 34 -0.693 10.541 11.206 1.00 0.00 H new ATOM 0 HA ILE A 34 1.985 11.257 10.252 1.00 0.00 H new ATOM 0 HB ILE A 34 1.101 9.377 12.422 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.103 11.657 13.626 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.156 12.310 12.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.390 9.705 13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.368 8.966 11.642 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.769 10.690 11.828 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.243 12.018 14.325 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.806 10.948 13.020 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.157 10.284 14.362 1.00 0.00 H new ATOM 521 N GLU A 35 1.833 9.542 8.438 1.00 0.00 N ATOM 522 CA GLU A 35 2.074 8.487 7.470 1.00 0.00 C ATOM 523 C GLU A 35 2.769 7.298 8.141 1.00 0.00 C ATOM 524 O GLU A 35 2.387 6.149 7.923 1.00 0.00 O ATOM 525 CB GLU A 35 2.894 9.004 6.287 1.00 0.00 C ATOM 526 CG GLU A 35 3.309 7.857 5.364 1.00 0.00 C ATOM 527 CD GLU A 35 4.633 7.238 5.818 1.00 0.00 C ATOM 528 OE1 GLU A 35 4.677 6.046 6.154 1.00 0.00 O ATOM 529 OE2 GLU A 35 5.641 8.043 5.815 1.00 0.00 O ATOM 0 H GLU A 35 1.911 10.488 8.065 1.00 0.00 H new ATOM 0 HA GLU A 35 1.112 8.150 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.310 9.733 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.782 9.520 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.531 7.094 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.407 8.225 4.343 1.00 0.00 H new ATOM 537 N LYS A 36 3.773 7.617 8.943 1.00 0.00 N ATOM 538 CA LYS A 36 4.524 6.592 9.647 1.00 0.00 C ATOM 539 C LYS A 36 3.550 5.582 10.257 1.00 0.00 C ATOM 540 O LYS A 36 3.694 4.376 10.058 1.00 0.00 O ATOM 541 CB LYS A 36 5.471 7.227 10.668 1.00 0.00 C ATOM 542 CG LYS A 36 6.931 7.053 10.243 1.00 0.00 C ATOM 543 CD LYS A 36 7.840 6.898 11.464 1.00 0.00 C ATOM 544 CE LYS A 36 9.039 7.845 11.376 1.00 0.00 C ATOM 545 NZ LYS A 36 10.303 7.104 11.579 1.00 0.00 N ATOM 0 H LYS A 36 4.084 8.572 9.121 1.00 0.00 H new ATOM 0 HA LYS A 36 5.162 6.043 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.242 8.288 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.316 6.771 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.025 6.177 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.248 7.915 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.274 7.105 12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.189 5.868 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.051 8.336 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.946 8.629 12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.105 7.763 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.296 6.656 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.398 6.372 10.847 1.00 0.00 H new ATOM 557 N ASP A 37 2.579 6.110 10.987 1.00 0.00 N ATOM 558 CA ASP A 37 1.582 5.270 11.627 1.00 0.00 C ATOM 559 C ASP A 37 0.641 4.701 10.563 1.00 0.00 C ATOM 560 O ASP A 37 0.077 3.624 10.741 1.00 0.00 O ATOM 561 CB ASP A 37 0.739 6.075 12.621 1.00 0.00 C ATOM 562 CG ASP A 37 0.779 5.564 14.063 1.00 0.00 C ATOM 563 OD1 ASP A 37 0.671 4.353 14.314 1.00 0.00 O ATOM 564 OD2 ASP A 37 0.926 6.477 14.961 1.00 0.00 O ATOM 0 H ASP A 37 2.462 7.110 11.149 1.00 0.00 H new ATOM 0 HA ASP A 37 2.103 4.473 12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.079 7.110 12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.296 6.076 12.280 1.00 0.00 H new ATOM 570 N ILE A 38 0.503 5.452 9.479 1.00 0.00 N ATOM 571 CA ILE A 38 -0.359 5.035 8.386 1.00 0.00 C ATOM 572 C ILE A 38 0.205 3.762 7.754 1.00 0.00 C ATOM 573 O ILE A 38 -0.393 2.692 7.864 1.00 0.00 O ATOM 574 CB ILE A 38 -0.554 6.181 7.391 1.00 0.00 C ATOM 575 CG1 ILE A 38 -0.944 7.473 8.112 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.565 5.801 6.308 1.00 0.00 C ATOM 577 CD1 ILE A 38 -1.366 8.552 7.114 1.00 0.00 C ATOM 0 H ILE A 38 0.973 6.346 9.335 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.355 4.792 8.757 1.00 0.00 H new ATOM 0 HB ILE A 38 0.397 6.366 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.761 7.274 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.103 7.831 8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.685 6.633 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.206 4.926 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.525 5.573 6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.638 9.460 7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.538 8.766 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.223 8.201 6.539 1.00 0.00 H new ATOM 589 N ALA A 39 1.350 3.918 7.105 1.00 0.00 N ATOM 590 CA ALA A 39 2.002 2.794 6.456 1.00 0.00 C ATOM 591 C ALA A 39 2.267 1.696 7.488 1.00 0.00 C ATOM 592 O ALA A 39 2.235 0.511 7.163 1.00 0.00 O ATOM 593 CB ALA A 39 3.285 3.272 5.772 1.00 0.00 C ATOM 0 H ALA A 39 1.843 4.807 7.015 1.00 0.00 H new ATOM 0 HA ALA A 39 1.358 2.372 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.774 2.428 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.040 4.029 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.956 3.700 6.516 1.00 0.00 H new ATOM 599 N ALA A 40 2.523 2.131 8.714 1.00 0.00 N ATOM 600 CA ALA A 40 2.793 1.201 9.798 1.00 0.00 C ATOM 601 C ALA A 40 1.530 0.388 10.092 1.00 0.00 C ATOM 602 O ALA A 40 1.614 -0.782 10.463 1.00 0.00 O ATOM 603 CB ALA A 40 3.290 1.971 11.021 1.00 0.00 C ATOM 0 H ALA A 40 2.549 3.115 8.980 1.00 0.00 H new ATOM 0 HA ALA A 40 3.578 0.500 9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.492 1.273 11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.205 2.507 10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.528 2.684 11.337 1.00 0.00 H new ATOM 609 N TYR A 41 0.392 1.042 9.920 1.00 0.00 N ATOM 610 CA TYR A 41 -0.888 0.395 10.162 1.00 0.00 C ATOM 611 C TYR A 41 -1.234 -0.577 9.033 1.00 0.00 C ATOM 612 O TYR A 41 -1.810 -1.636 9.276 1.00 0.00 O ATOM 613 CB TYR A 41 -1.929 1.516 10.193 1.00 0.00 C ATOM 614 CG TYR A 41 -3.376 1.021 10.151 1.00 0.00 C ATOM 615 CD1 TYR A 41 -4.039 0.729 11.325 1.00 0.00 C ATOM 616 CD2 TYR A 41 -4.018 0.868 8.939 1.00 0.00 C ATOM 617 CE1 TYR A 41 -5.401 0.265 11.286 1.00 0.00 C ATOM 618 CE2 TYR A 41 -5.380 0.404 8.900 1.00 0.00 C ATOM 619 CZ TYR A 41 -6.005 0.124 10.075 1.00 0.00 C ATOM 620 OH TYR A 41 -7.291 -0.314 10.038 1.00 0.00 O ATOM 0 H TYR A 41 0.328 2.014 9.616 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.860 -0.174 11.091 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.784 2.108 11.097 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.758 2.180 9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.536 0.849 12.273 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.499 1.096 8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.932 0.034 12.198 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.894 0.281 7.958 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.313 -1.279 10.205 1.00 0.00 H new ATOM 630 N ILE A 42 -0.868 -0.182 7.821 1.00 0.00 N ATOM 631 CA ILE A 42 -1.133 -1.006 6.654 1.00 0.00 C ATOM 632 C ILE A 42 -0.276 -2.270 6.722 1.00 0.00 C ATOM 633 O ILE A 42 -0.797 -3.382 6.666 1.00 0.00 O ATOM 634 CB ILE A 42 -0.935 -0.195 5.371 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.720 1.116 5.425 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.292 -1.026 4.137 1.00 0.00 C ATOM 637 CD1 ILE A 42 -1.261 2.076 4.325 1.00 0.00 C ATOM 0 H ILE A 42 -0.391 0.697 7.623 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.174 -1.328 6.643 1.00 0.00 H new ATOM 0 HB ILE A 42 0.121 0.065 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.785 0.911 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.586 1.584 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.143 -0.427 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.653 -1.908 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.335 -1.336 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.835 3.000 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.202 2.298 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.419 1.614 3.350 1.00 0.00 H new ATOM 649 N LYS A 43 1.028 -2.057 6.841 1.00 0.00 N ATOM 650 CA LYS A 43 1.963 -3.166 6.916 1.00 0.00 C ATOM 651 C LYS A 43 1.579 -4.072 8.088 1.00 0.00 C ATOM 652 O LYS A 43 1.453 -5.284 7.925 1.00 0.00 O ATOM 653 CB LYS A 43 3.402 -2.650 6.983 1.00 0.00 C ATOM 654 CG LYS A 43 4.350 -3.734 7.499 1.00 0.00 C ATOM 655 CD LYS A 43 4.506 -3.648 9.019 1.00 0.00 C ATOM 656 CE LYS A 43 5.784 -4.352 9.480 1.00 0.00 C ATOM 657 NZ LYS A 43 6.644 -3.418 10.239 1.00 0.00 N ATOM 0 H LYS A 43 1.457 -1.133 6.887 1.00 0.00 H new ATOM 0 HA LYS A 43 1.908 -3.773 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.721 -2.324 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.450 -1.779 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.968 -4.717 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.325 -3.626 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.531 -2.603 9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.641 -4.102 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.530 -5.209 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.327 -4.736 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.507 -3.911 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.901 -2.613 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.129 -3.072 11.074 1.00 0.00 H new ATOM 669 N LYS A 44 1.405 -3.449 9.245 1.00 0.00 N ATOM 670 CA LYS A 44 1.040 -4.184 10.443 1.00 0.00 C ATOM 671 C LYS A 44 -0.339 -4.819 10.246 1.00 0.00 C ATOM 672 O LYS A 44 -0.596 -5.917 10.736 1.00 0.00 O ATOM 673 CB LYS A 44 1.129 -3.280 11.675 1.00 0.00 C ATOM 674 CG LYS A 44 0.643 -4.011 12.928 1.00 0.00 C ATOM 675 CD LYS A 44 1.198 -3.355 14.194 1.00 0.00 C ATOM 676 CE LYS A 44 0.202 -2.344 14.767 1.00 0.00 C ATOM 677 NZ LYS A 44 -0.964 -3.040 15.358 1.00 0.00 N ATOM 0 H LYS A 44 1.510 -2.443 9.377 1.00 0.00 H new ATOM 0 HA LYS A 44 1.745 -4.997 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.159 -2.953 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.529 -2.384 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.447 -4.004 12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.954 -5.055 12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.415 -4.120 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.140 -2.855 13.967 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.691 -1.733 15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.132 -1.668 13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.428 -2.415 16.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.639 -3.287 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.645 -3.907 15.836 1.00 0.00 H new ATOM 689 N GLU A 45 -1.188 -4.100 9.527 1.00 0.00 N ATOM 690 CA GLU A 45 -2.535 -4.578 9.260 1.00 0.00 C ATOM 691 C GLU A 45 -2.487 -5.981 8.647 1.00 0.00 C ATOM 692 O GLU A 45 -3.052 -6.922 9.201 1.00 0.00 O ATOM 693 CB GLU A 45 -3.290 -3.608 8.350 1.00 0.00 C ATOM 694 CG GLU A 45 -4.243 -2.727 9.161 1.00 0.00 C ATOM 695 CD GLU A 45 -5.588 -3.425 9.375 1.00 0.00 C ATOM 696 OE1 GLU A 45 -6.105 -4.072 8.453 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.096 -3.280 10.552 1.00 0.00 O ATOM 0 H GLU A 45 -0.970 -3.190 9.121 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.075 -4.633 10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.580 -2.981 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.853 -4.168 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.794 -2.492 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.399 -1.781 8.643 1.00 0.00 H new ATOM 705 N PHE A 46 -1.806 -6.073 7.515 1.00 0.00 N ATOM 706 CA PHE A 46 -1.677 -7.344 6.822 1.00 0.00 C ATOM 707 C PHE A 46 -0.709 -8.274 7.557 1.00 0.00 C ATOM 708 O PHE A 46 -0.986 -9.462 7.716 1.00 0.00 O ATOM 709 CB PHE A 46 -1.116 -7.040 5.431 1.00 0.00 C ATOM 710 CG PHE A 46 -2.187 -6.772 4.373 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.278 -6.021 4.685 1.00 0.00 C ATOM 712 CD2 PHE A 46 -2.049 -7.284 3.120 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.272 -5.772 3.702 1.00 0.00 C ATOM 714 CE2 PHE A 46 -3.043 -7.034 2.137 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.134 -6.284 2.450 1.00 0.00 C ATOM 0 H PHE A 46 -1.338 -5.289 7.060 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.646 -7.840 6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.460 -6.172 5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.502 -7.880 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.388 -5.615 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.183 -7.881 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.138 -5.176 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.933 -7.439 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.891 -6.095 1.703 1.00 0.00 H new ATOM 725 N ASP A 47 0.404 -7.698 7.985 1.00 0.00 N ATOM 726 CA ASP A 47 1.414 -8.461 8.699 1.00 0.00 C ATOM 727 C ASP A 47 0.742 -9.281 9.803 1.00 0.00 C ATOM 728 O ASP A 47 1.207 -10.367 10.145 1.00 0.00 O ATOM 729 CB ASP A 47 2.439 -7.536 9.358 1.00 0.00 C ATOM 730 CG ASP A 47 3.580 -8.249 10.087 1.00 0.00 C ATOM 731 OD1 ASP A 47 3.351 -9.046 11.006 1.00 0.00 O ATOM 732 OD2 ASP A 47 4.764 -7.952 9.667 1.00 0.00 O ATOM 0 H ASP A 47 0.629 -6.712 7.851 1.00 0.00 H new ATOM 0 HA ASP A 47 1.919 -9.107 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.866 -6.888 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.921 -6.892 10.068 1.00 0.00 H new ATOM 738 N LYS A 48 -0.342 -8.730 10.329 1.00 0.00 N ATOM 739 CA LYS A 48 -1.084 -9.397 11.386 1.00 0.00 C ATOM 740 C LYS A 48 -1.373 -10.841 10.967 1.00 0.00 C ATOM 741 O LYS A 48 -0.748 -11.774 11.470 1.00 0.00 O ATOM 742 CB LYS A 48 -2.337 -8.599 11.747 1.00 0.00 C ATOM 743 CG LYS A 48 -1.971 -7.301 12.470 1.00 0.00 C ATOM 744 CD LYS A 48 -2.515 -7.298 13.900 1.00 0.00 C ATOM 745 CE LYS A 48 -3.593 -6.225 14.075 1.00 0.00 C ATOM 746 NZ LYS A 48 -4.257 -6.366 15.389 1.00 0.00 N ATOM 0 H LYS A 48 -0.725 -7.829 10.043 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.490 -9.442 12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.899 -8.369 10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.986 -9.202 12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.887 -7.184 12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.374 -6.449 11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.930 -8.278 14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.701 -7.118 14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.145 -5.235 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.331 -6.309 13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.985 -5.630 15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.701 -7.304 15.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.552 -6.263 16.147 1.00 0.00 H new ATOM 758 N LYS A 49 -2.319 -10.978 10.050 1.00 0.00 N ATOM 759 CA LYS A 49 -2.698 -12.292 9.558 1.00 0.00 C ATOM 760 C LYS A 49 -2.970 -12.210 8.055 1.00 0.00 C ATOM 761 O LYS A 49 -4.117 -12.306 7.622 1.00 0.00 O ATOM 762 CB LYS A 49 -3.872 -12.848 10.367 1.00 0.00 C ATOM 763 CG LYS A 49 -3.389 -13.471 11.677 1.00 0.00 C ATOM 764 CD LYS A 49 -4.496 -14.299 12.332 1.00 0.00 C ATOM 765 CE LYS A 49 -4.203 -15.797 12.216 1.00 0.00 C ATOM 766 NZ LYS A 49 -4.460 -16.477 13.505 1.00 0.00 N ATOM 0 H LYS A 49 -2.834 -10.202 9.635 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.882 -13.001 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.582 -12.049 10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.402 -13.596 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.522 -14.103 11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.065 -12.685 12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.588 -14.023 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.452 -14.074 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.825 -16.236 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.165 -15.949 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.256 -17.492 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.848 -16.069 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.457 -16.348 13.773 1.00 0.00 H new ATOM 778 N TYR A 50 -1.896 -12.034 7.299 1.00 0.00 N ATOM 779 CA TYR A 50 -2.004 -11.937 5.854 1.00 0.00 C ATOM 780 C TYR A 50 -0.688 -12.327 5.178 1.00 0.00 C ATOM 781 O TYR A 50 -0.240 -11.655 4.250 1.00 0.00 O ATOM 782 CB TYR A 50 -2.305 -10.469 5.550 1.00 0.00 C ATOM 783 CG TYR A 50 -3.176 -10.255 4.311 1.00 0.00 C ATOM 784 CD1 TYR A 50 -2.979 -11.031 3.187 1.00 0.00 C ATOM 785 CD2 TYR A 50 -4.158 -9.285 4.316 1.00 0.00 C ATOM 786 CE1 TYR A 50 -3.798 -10.830 2.021 1.00 0.00 C ATOM 787 CE2 TYR A 50 -4.977 -9.084 3.149 1.00 0.00 C ATOM 788 CZ TYR A 50 -4.757 -9.866 2.060 1.00 0.00 C ATOM 789 OH TYR A 50 -5.530 -9.676 0.957 1.00 0.00 O ATOM 0 H TYR A 50 -0.946 -11.956 7.661 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.779 -12.607 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.803 -10.025 6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.364 -9.936 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.210 -11.789 3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.312 -8.677 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.655 -11.431 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.749 -8.329 3.140 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.415 -9.355 1.229 1.00 0.00 H new ATOM 799 N ASN A 51 -0.106 -13.411 5.670 1.00 0.00 N ATOM 800 CA ASN A 51 1.150 -13.898 5.124 1.00 0.00 C ATOM 801 C ASN A 51 2.244 -12.857 5.366 1.00 0.00 C ATOM 802 O ASN A 51 2.736 -12.238 4.425 1.00 0.00 O ATOM 803 CB ASN A 51 1.042 -14.129 3.616 1.00 0.00 C ATOM 804 CG ASN A 51 1.331 -15.589 3.264 1.00 0.00 C ATOM 805 OD1 ASN A 51 1.903 -16.342 4.036 1.00 0.00 O ATOM 806 ND2 ASN A 51 0.904 -15.949 2.056 1.00 0.00 N ATOM 0 H ASN A 51 -0.480 -13.965 6.440 1.00 0.00 H new ATOM 0 HA ASN A 51 1.389 -14.840 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.043 -13.859 3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.744 -13.479 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.049 -16.904 1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.432 -15.270 1.459 1.00 0.00 H new ATOM 813 N PRO A 52 2.601 -12.690 6.669 1.00 0.00 N ATOM 814 CA PRO A 52 3.628 -11.735 7.046 1.00 0.00 C ATOM 815 C PRO A 52 5.021 -12.259 6.696 1.00 0.00 C ATOM 816 O PRO A 52 5.194 -13.450 6.436 1.00 0.00 O ATOM 817 CB PRO A 52 3.435 -11.518 8.539 1.00 0.00 C ATOM 818 CG PRO A 52 2.616 -12.702 9.028 1.00 0.00 C ATOM 819 CD PRO A 52 2.040 -13.406 7.811 1.00 0.00 C ATOM 0 HA PRO A 52 3.543 -10.793 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.394 -11.467 9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.918 -10.578 8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.240 -13.385 9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.817 -12.366 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.319 -14.460 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.951 -13.365 7.808 1.00 0.00 H new ATOM 827 N THR A 53 5.981 -11.344 6.697 1.00 0.00 N ATOM 828 CA THR A 53 5.691 -9.957 7.014 1.00 0.00 C ATOM 829 C THR A 53 5.632 -9.118 5.736 1.00 0.00 C ATOM 830 O THR A 53 6.117 -9.542 4.689 1.00 0.00 O ATOM 831 CB THR A 53 6.744 -9.471 8.012 1.00 0.00 C ATOM 832 OG1 THR A 53 6.640 -8.051 7.963 1.00 0.00 O ATOM 833 CG2 THR A 53 8.173 -9.756 7.542 1.00 0.00 C ATOM 0 H THR A 53 6.959 -11.537 6.483 1.00 0.00 H new ATOM 0 HA THR A 53 4.710 -9.854 7.478 1.00 0.00 H new ATOM 0 HB THR A 53 6.577 -9.950 8.977 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.105 -7.736 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.880 -9.391 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.306 -10.830 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.352 -9.250 6.593 1.00 0.00 H new ATOM 841 N TRP A 54 5.032 -7.944 5.864 1.00 0.00 N ATOM 842 CA TRP A 54 4.904 -7.041 4.733 1.00 0.00 C ATOM 843 C TRP A 54 5.764 -5.808 5.012 1.00 0.00 C ATOM 844 O TRP A 54 6.102 -5.529 6.161 1.00 0.00 O ATOM 845 CB TRP A 54 3.436 -6.700 4.469 1.00 0.00 C ATOM 846 CG TRP A 54 2.545 -7.922 4.232 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.260 -8.913 5.087 1.00 0.00 C ATOM 848 CD2 TRP A 54 1.830 -8.241 3.020 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.418 -9.845 4.518 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.147 -9.424 3.221 1.00 0.00 C ATOM 851 CE3 TRP A 54 1.761 -7.555 1.796 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.348 -10.024 2.241 1.00 0.00 C ATOM 853 CZ3 TRP A 54 0.958 -8.167 0.826 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.265 -9.357 1.012 1.00 0.00 C ATOM 0 H TRP A 54 4.629 -7.597 6.734 1.00 0.00 H new ATOM 0 HA TRP A 54 5.262 -7.514 3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.046 -6.138 5.318 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.377 -6.046 3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.642 -8.974 6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.060 -10.688 4.966 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.286 -6.628 1.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.176 -10.951 2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.871 -7.680 -0.134 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.335 -9.766 0.212 1.00 0.00 H new ATOM 865 N HIS A 55 6.093 -5.101 3.940 1.00 0.00 N ATOM 866 CA HIS A 55 6.908 -3.904 4.055 1.00 0.00 C ATOM 867 C HIS A 55 6.384 -2.833 3.097 1.00 0.00 C ATOM 868 O HIS A 55 6.288 -3.066 1.892 1.00 0.00 O ATOM 869 CB HIS A 55 8.386 -4.229 3.828 1.00 0.00 C ATOM 870 CG HIS A 55 8.903 -5.364 4.680 1.00 0.00 C ATOM 871 ND1 HIS A 55 9.545 -5.164 5.889 1.00 0.00 N ATOM 872 CD2 HIS A 55 8.863 -6.714 4.484 1.00 0.00 C ATOM 873 CE1 HIS A 55 9.875 -6.345 6.389 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.451 -7.305 5.518 1.00 0.00 N ATOM 0 H HIS A 55 5.810 -5.335 2.988 1.00 0.00 H new ATOM 0 HA HIS A 55 6.834 -3.506 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.535 -4.479 2.778 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.979 -3.337 4.030 1.00 0.00 H new ATOM 0 HD1 HIS A 55 9.732 -4.260 6.322 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.427 -7.216 3.633 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.390 -6.518 7.323 1.00 0.00 H new ATOM 882 N CYS A 56 6.059 -1.683 3.666 1.00 0.00 N ATOM 883 CA CYS A 56 5.546 -0.574 2.879 1.00 0.00 C ATOM 884 C CYS A 56 6.501 0.610 3.037 1.00 0.00 C ATOM 885 O CYS A 56 7.054 0.826 4.113 1.00 0.00 O ATOM 886 CB CYS A 56 4.114 -0.210 3.277 1.00 0.00 C ATOM 887 SG CYS A 56 4.024 0.087 5.081 1.00 0.00 S ATOM 0 H CYS A 56 6.141 -1.494 4.665 1.00 0.00 H new ATOM 0 HA CYS A 56 5.498 -0.863 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.793 0.680 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.434 -1.015 2.998 1.00 0.00 H new ATOM 0 HG CYS A 56 2.781 0.080 5.460 1.00 0.00 H new ATOM 893 N ILE A 57 6.666 1.346 1.947 1.00 0.00 N ATOM 894 CA ILE A 57 7.546 2.503 1.952 1.00 0.00 C ATOM 895 C ILE A 57 6.762 3.735 1.492 1.00 0.00 C ATOM 896 O ILE A 57 5.798 3.616 0.737 1.00 0.00 O ATOM 897 CB ILE A 57 8.799 2.226 1.119 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.728 1.246 1.838 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.512 3.530 0.754 1.00 0.00 C ATOM 900 CD1 ILE A 57 9.074 -0.132 1.971 1.00 0.00 C ATOM 0 H ILE A 57 6.206 1.164 1.055 1.00 0.00 H new ATOM 0 HA ILE A 57 7.901 2.708 2.962 1.00 0.00 H new ATOM 0 HB ILE A 57 8.493 1.754 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.665 1.157 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.975 1.632 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.399 3.306 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.839 4.163 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.806 4.051 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.755 -0.810 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.150 -0.043 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.850 -0.526 0.980 1.00 0.00 H new ATOM 912 N VAL A 58 7.205 4.889 1.967 1.00 0.00 N ATOM 913 CA VAL A 58 6.559 6.141 1.615 1.00 0.00 C ATOM 914 C VAL A 58 7.625 7.179 1.256 1.00 0.00 C ATOM 915 O VAL A 58 8.194 7.818 2.139 1.00 0.00 O ATOM 916 CB VAL A 58 5.642 6.595 2.753 1.00 0.00 C ATOM 917 CG1 VAL A 58 4.928 7.899 2.395 1.00 0.00 C ATOM 918 CG2 VAL A 58 4.636 5.501 3.115 1.00 0.00 C ATOM 0 H VAL A 58 8.004 4.983 2.593 1.00 0.00 H new ATOM 0 HA VAL A 58 5.926 6.009 0.737 1.00 0.00 H new ATOM 0 HB VAL A 58 6.263 6.783 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.283 8.199 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.666 8.679 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.325 7.750 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.996 5.849 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.023 5.268 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.171 4.606 3.433 1.00 0.00 H new ATOM 928 N GLY A 59 7.862 7.312 -0.040 1.00 0.00 N ATOM 929 CA GLY A 59 8.850 8.261 -0.526 1.00 0.00 C ATOM 930 C GLY A 59 8.318 9.035 -1.733 1.00 0.00 C ATOM 931 O GLY A 59 7.743 10.111 -1.581 1.00 0.00 O ATOM 0 H GLY A 59 7.387 6.779 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.113 8.957 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.763 7.732 -0.802 1.00 0.00 H new ATOM 935 N ARG A 60 8.531 8.458 -2.907 1.00 0.00 N ATOM 936 CA ARG A 60 8.080 9.082 -4.140 1.00 0.00 C ATOM 937 C ARG A 60 7.885 8.024 -5.228 1.00 0.00 C ATOM 938 O ARG A 60 6.900 8.060 -5.963 1.00 0.00 O ATOM 939 CB ARG A 60 9.086 10.126 -4.628 1.00 0.00 C ATOM 940 CG ARG A 60 8.516 10.932 -5.797 1.00 0.00 C ATOM 941 CD ARG A 60 9.611 11.742 -6.492 1.00 0.00 C ATOM 942 NE ARG A 60 9.741 13.071 -5.852 1.00 0.00 N ATOM 943 CZ ARG A 60 10.546 14.054 -6.307 1.00 0.00 C ATOM 944 NH1 ARG A 60 11.301 13.867 -7.410 1.00 0.00 N ATOM 945 NH2 ARG A 60 10.583 15.203 -5.656 1.00 0.00 N ATOM 0 H ARG A 60 9.010 7.566 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 60 7.131 9.577 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.344 10.798 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.007 9.632 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.048 10.258 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.737 11.603 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.560 11.208 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.372 11.860 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 60 9.188 13.255 -5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.266 12.977 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.906 14.616 -7.747 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.009 15.336 -4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.186 15.957 -5.986 1.00 0.00 H new ATOM 958 N ASN A 61 8.840 7.107 -5.297 1.00 0.00 N ATOM 959 CA ASN A 61 8.783 6.041 -6.283 1.00 0.00 C ATOM 960 C ASN A 61 9.245 4.733 -5.639 1.00 0.00 C ATOM 961 O ASN A 61 9.414 4.662 -4.423 1.00 0.00 O ATOM 962 CB ASN A 61 9.707 6.338 -7.467 1.00 0.00 C ATOM 963 CG ASN A 61 9.144 5.750 -8.762 1.00 0.00 C ATOM 964 OD1 ASN A 61 8.815 4.578 -8.850 1.00 0.00 O ATOM 965 ND2 ASN A 61 9.051 6.626 -9.757 1.00 0.00 N ATOM 0 H ASN A 61 9.657 7.081 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 61 7.755 5.962 -6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.830 7.416 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.696 5.922 -7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.686 6.332 -10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.345 7.592 -9.615 1.00 0.00 H new ATOM 972 N PHE A 62 9.435 3.730 -6.485 1.00 0.00 N ATOM 973 CA PHE A 62 9.874 2.428 -6.013 1.00 0.00 C ATOM 974 C PHE A 62 11.089 1.939 -6.803 1.00 0.00 C ATOM 975 O PHE A 62 11.793 2.737 -7.422 1.00 0.00 O ATOM 976 CB PHE A 62 8.712 1.457 -6.237 1.00 0.00 C ATOM 977 CG PHE A 62 8.384 1.209 -7.711 1.00 0.00 C ATOM 978 CD1 PHE A 62 7.526 2.037 -8.365 1.00 0.00 C ATOM 979 CD2 PHE A 62 8.951 0.160 -8.366 1.00 0.00 C ATOM 980 CE1 PHE A 62 7.221 1.805 -9.732 1.00 0.00 C ATOM 981 CE2 PHE A 62 8.645 -0.070 -9.734 1.00 0.00 C ATOM 982 CZ PHE A 62 7.788 0.758 -10.388 1.00 0.00 C ATOM 0 H PHE A 62 9.293 3.793 -7.493 1.00 0.00 H new ATOM 0 HA PHE A 62 10.158 2.490 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.951 0.505 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.825 1.847 -5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.077 2.870 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.633 -0.497 -7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.538 2.461 -10.251 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.093 -0.903 -10.255 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.558 0.584 -11.429 1.00 0.00 H new ATOM 992 N GLY A 63 11.301 0.633 -6.755 1.00 0.00 N ATOM 993 CA GLY A 63 12.420 0.029 -7.459 1.00 0.00 C ATOM 994 C GLY A 63 12.289 -1.495 -7.492 1.00 0.00 C ATOM 995 O GLY A 63 12.307 -2.100 -8.562 1.00 0.00 O ATOM 0 H GLY A 63 10.717 -0.025 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.465 0.416 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.354 0.307 -6.971 1.00 0.00 H new ATOM 999 N SER A 64 12.160 -2.073 -6.306 1.00 0.00 N ATOM 1000 CA SER A 64 12.026 -3.514 -6.186 1.00 0.00 C ATOM 1001 C SER A 64 10.751 -3.981 -6.892 1.00 0.00 C ATOM 1002 O SER A 64 9.741 -4.250 -6.241 1.00 0.00 O ATOM 1003 CB SER A 64 12.010 -3.946 -4.719 1.00 0.00 C ATOM 1004 OG SER A 64 10.828 -3.519 -4.049 1.00 0.00 O ATOM 0 H SER A 64 12.146 -1.568 -5.420 1.00 0.00 H new ATOM 0 HA SER A 64 12.889 -3.979 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.088 -5.032 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.883 -3.536 -4.211 1.00 0.00 H new ATOM 0 HG SER A 64 10.042 -3.887 -4.505 1.00 0.00 H new ATOM 1010 N TYR A 65 10.838 -4.065 -8.211 1.00 0.00 N ATOM 1011 CA TYR A 65 9.703 -4.495 -9.010 1.00 0.00 C ATOM 1012 C TYR A 65 10.142 -5.463 -10.110 1.00 0.00 C ATOM 1013 O TYR A 65 9.569 -6.541 -10.259 1.00 0.00 O ATOM 1014 CB TYR A 65 9.139 -3.228 -9.656 1.00 0.00 C ATOM 1015 CG TYR A 65 7.952 -3.481 -10.588 1.00 0.00 C ATOM 1016 CD1 TYR A 65 6.875 -4.223 -10.148 1.00 0.00 C ATOM 1017 CD2 TYR A 65 7.958 -2.968 -11.869 1.00 0.00 C ATOM 1018 CE1 TYR A 65 5.758 -4.462 -11.025 1.00 0.00 C ATOM 1019 CE2 TYR A 65 6.841 -3.206 -12.746 1.00 0.00 C ATOM 1020 CZ TYR A 65 5.796 -3.941 -12.280 1.00 0.00 C ATOM 1021 OH TYR A 65 4.741 -4.165 -13.108 1.00 0.00 O ATOM 0 H TYR A 65 11.677 -3.843 -8.747 1.00 0.00 H new ATOM 0 HA TYR A 65 8.970 -5.010 -8.390 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.831 -2.538 -8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.932 -2.736 -10.219 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.870 -4.625 -9.145 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.801 -2.388 -12.214 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.909 -5.042 -10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.833 -2.810 -13.751 1.00 0.00 H new ATOM 0 HH TYR A 65 4.905 -3.732 -13.972 1.00 0.00 H new ATOM 1031 N VAL A 66 11.157 -5.043 -10.852 1.00 0.00 N ATOM 1032 CA VAL A 66 11.681 -5.860 -11.934 1.00 0.00 C ATOM 1033 C VAL A 66 13.174 -6.103 -11.708 1.00 0.00 C ATOM 1034 O VAL A 66 13.988 -5.860 -12.597 1.00 0.00 O ATOM 1035 CB VAL A 66 11.380 -5.199 -13.280 1.00 0.00 C ATOM 1036 CG1 VAL A 66 12.112 -3.862 -13.411 1.00 0.00 C ATOM 1037 CG2 VAL A 66 11.734 -6.133 -14.440 1.00 0.00 C ATOM 0 H VAL A 66 11.630 -4.148 -10.725 1.00 0.00 H new ATOM 0 HA VAL A 66 11.192 -6.834 -11.948 1.00 0.00 H new ATOM 0 HB VAL A 66 10.309 -5.000 -13.323 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.880 -3.414 -14.377 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.791 -3.192 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.187 -4.027 -13.336 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.511 -5.639 -15.386 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.796 -6.377 -14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.148 -7.049 -14.362 1.00 0.00 H new ATOM 1047 N THR A 67 13.489 -6.579 -10.512 1.00 0.00 N ATOM 1048 CA THR A 67 14.870 -6.857 -10.157 1.00 0.00 C ATOM 1049 C THR A 67 14.943 -8.027 -9.172 1.00 0.00 C ATOM 1050 O THR A 67 15.620 -9.020 -9.432 1.00 0.00 O ATOM 1051 CB THR A 67 15.488 -5.567 -9.615 1.00 0.00 C ATOM 1052 OG1 THR A 67 14.448 -4.985 -8.836 1.00 0.00 O ATOM 1053 CG2 THR A 67 15.752 -4.537 -10.715 1.00 0.00 C ATOM 0 H THR A 67 12.811 -6.779 -9.777 1.00 0.00 H new ATOM 0 HA THR A 67 15.447 -7.170 -11.028 1.00 0.00 H new ATOM 0 HB THR A 67 16.422 -5.799 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.764 -4.144 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.191 -3.641 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.441 -4.956 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.813 -4.279 -11.205 1.00 0.00 H new ATOM 1061 N HIS A 68 14.235 -7.868 -8.063 1.00 0.00 N ATOM 1062 CA HIS A 68 14.211 -8.898 -7.038 1.00 0.00 C ATOM 1063 C HIS A 68 12.826 -9.548 -6.996 1.00 0.00 C ATOM 1064 O HIS A 68 12.699 -10.724 -6.662 1.00 0.00 O ATOM 1065 CB HIS A 68 14.639 -8.328 -5.684 1.00 0.00 C ATOM 1066 CG HIS A 68 16.130 -8.142 -5.539 1.00 0.00 C ATOM 1067 ND1 HIS A 68 16.992 -9.187 -5.256 1.00 0.00 N ATOM 1068 CD2 HIS A 68 16.904 -7.024 -5.643 1.00 0.00 C ATOM 1069 CE1 HIS A 68 18.226 -8.708 -5.193 1.00 0.00 C ATOM 1070 NE2 HIS A 68 18.168 -7.366 -5.433 1.00 0.00 N ATOM 0 H HIS A 68 13.674 -7.042 -7.852 1.00 0.00 H new ATOM 0 HA HIS A 68 14.933 -9.677 -7.284 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.147 -7.367 -5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.288 -8.992 -4.894 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.548 -6.028 -5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.120 -9.279 -4.988 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.966 -6.730 -5.448 1.00 0.00 H new ATOM 1078 N GLU A 69 11.824 -8.753 -7.342 1.00 0.00 N ATOM 1079 CA GLU A 69 10.453 -9.236 -7.348 1.00 0.00 C ATOM 1080 C GLU A 69 10.068 -9.759 -5.963 1.00 0.00 C ATOM 1081 O GLU A 69 10.937 -10.060 -5.144 1.00 0.00 O ATOM 1082 CB GLU A 69 10.258 -10.316 -8.414 1.00 0.00 C ATOM 1083 CG GLU A 69 9.613 -9.732 -9.673 1.00 0.00 C ATOM 1084 CD GLU A 69 8.195 -10.276 -9.865 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.884 -11.378 -9.388 1.00 0.00 O ATOM 1086 OE2 GLU A 69 7.403 -9.510 -10.536 1.00 0.00 O ATOM 0 H GLU A 69 11.934 -7.778 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 69 9.796 -8.402 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.220 -10.761 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.632 -11.115 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.583 -8.645 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.221 -9.976 -10.544 1.00 0.00 H new ATOM 1094 N THR A 70 8.766 -9.850 -5.741 1.00 0.00 N ATOM 1095 CA THR A 70 8.255 -10.331 -4.468 1.00 0.00 C ATOM 1096 C THR A 70 7.070 -11.274 -4.690 1.00 0.00 C ATOM 1097 O THR A 70 7.033 -12.008 -5.676 1.00 0.00 O ATOM 1098 CB THR A 70 7.909 -9.114 -3.608 1.00 0.00 C ATOM 1099 OG1 THR A 70 6.721 -8.596 -4.198 1.00 0.00 O ATOM 1100 CG2 THR A 70 8.927 -7.981 -3.761 1.00 0.00 C ATOM 0 H THR A 70 8.048 -9.599 -6.421 1.00 0.00 H new ATOM 0 HA THR A 70 9.004 -10.920 -3.939 1.00 0.00 H new ATOM 0 HB THR A 70 7.854 -9.414 -2.562 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.933 -8.203 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.635 -7.142 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.913 -8.335 -3.461 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.959 -7.659 -4.802 1.00 0.00 H new ATOM 1108 N ARG A 71 6.130 -11.220 -3.759 1.00 0.00 N ATOM 1109 CA ARG A 71 4.947 -12.060 -3.840 1.00 0.00 C ATOM 1110 C ARG A 71 3.705 -11.203 -4.092 1.00 0.00 C ATOM 1111 O ARG A 71 3.067 -11.319 -5.138 1.00 0.00 O ATOM 1112 CB ARG A 71 4.752 -12.864 -2.553 1.00 0.00 C ATOM 1113 CG ARG A 71 5.620 -14.123 -2.556 1.00 0.00 C ATOM 1114 CD ARG A 71 4.921 -15.270 -3.289 1.00 0.00 C ATOM 1115 NE ARG A 71 4.541 -16.328 -2.325 1.00 0.00 N ATOM 1116 CZ ARG A 71 3.696 -17.342 -2.609 1.00 0.00 C ATOM 1117 NH1 ARG A 71 3.136 -17.444 -3.833 1.00 0.00 N ATOM 1118 NH2 ARG A 71 3.428 -18.232 -1.673 1.00 0.00 N ATOM 0 H ARG A 71 6.163 -10.607 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 71 5.089 -12.754 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.005 -12.246 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.703 -13.141 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.575 -13.909 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.838 -14.421 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.034 -14.898 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.582 -15.682 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 71 4.943 -16.288 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.350 -16.752 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.499 -18.213 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.857 -18.148 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.792 -19.004 -1.871 1.00 0.00 H new ATOM 1131 N HIS A 72 3.398 -10.362 -3.114 1.00 0.00 N ATOM 1132 CA HIS A 72 2.243 -9.485 -3.217 1.00 0.00 C ATOM 1133 C HIS A 72 2.652 -8.054 -2.870 1.00 0.00 C ATOM 1134 O HIS A 72 3.249 -7.812 -1.821 1.00 0.00 O ATOM 1135 CB HIS A 72 1.092 -10.001 -2.351 1.00 0.00 C ATOM 1136 CG HIS A 72 0.230 -11.039 -3.028 1.00 0.00 C ATOM 1137 ND1 HIS A 72 0.121 -11.389 -4.342 1.00 0.00 N flip ATOM 1138 CD2 HIS A 72 -0.652 -11.851 -2.334 1.00 0.00 C flip ATOM 1139 CE1 HIS A 72 -0.775 -12.361 -4.445 1.00 0.00 C flip ATOM 1140 NE2 HIS A 72 -1.257 -12.649 -3.201 1.00 0.00 N flip ATOM 0 H HIS A 72 3.928 -10.269 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 72 1.875 -9.480 -4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.503 -10.426 -1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.465 -9.158 -2.058 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.641 -10.973 -5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.818 -11.836 -1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.074 -12.845 -5.363 1.00 0.00 H new ATOM 1148 N PHE A 73 2.315 -7.141 -3.768 1.00 0.00 N ATOM 1149 CA PHE A 73 2.640 -5.739 -3.569 1.00 0.00 C ATOM 1150 C PHE A 73 1.636 -4.836 -4.288 1.00 0.00 C ATOM 1151 O PHE A 73 0.863 -5.302 -5.123 1.00 0.00 O ATOM 1152 CB PHE A 73 4.031 -5.513 -4.167 1.00 0.00 C ATOM 1153 CG PHE A 73 4.245 -6.198 -5.519 1.00 0.00 C ATOM 1154 CD1 PHE A 73 4.545 -7.524 -5.570 1.00 0.00 C ATOM 1155 CD2 PHE A 73 4.136 -5.482 -6.669 1.00 0.00 C ATOM 1156 CE1 PHE A 73 4.745 -8.160 -6.823 1.00 0.00 C ATOM 1157 CE2 PHE A 73 4.335 -6.117 -7.923 1.00 0.00 C ATOM 1158 CZ PHE A 73 4.634 -7.442 -7.974 1.00 0.00 C ATOM 0 H PHE A 73 1.820 -7.345 -4.636 1.00 0.00 H new ATOM 0 HA PHE A 73 2.609 -5.497 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.196 -4.442 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.781 -5.876 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.631 -8.093 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.898 -4.429 -6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.985 -9.212 -6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.249 -5.547 -8.836 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.784 -7.925 -8.928 1.00 0.00 H new ATOM 1168 N ILE A 74 1.679 -3.559 -3.937 1.00 0.00 N ATOM 1169 CA ILE A 74 0.784 -2.586 -4.538 1.00 0.00 C ATOM 1170 C ILE A 74 1.347 -1.180 -4.325 1.00 0.00 C ATOM 1171 O ILE A 74 1.492 -0.730 -3.189 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.639 -2.766 -4.002 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.423 -1.454 -4.077 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.623 -3.343 -2.586 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.915 -1.692 -3.847 1.00 0.00 C ATOM 0 H ILE A 74 2.321 -3.176 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 74 0.718 -2.743 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.154 -3.486 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.043 -0.756 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.271 -0.991 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.646 -3.461 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.128 -4.314 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.084 -2.666 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.448 -0.743 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.297 -2.371 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.066 -2.132 -2.861 1.00 0.00 H new ATOM 1187 N TYR A 75 1.651 -0.525 -5.437 1.00 0.00 N ATOM 1188 CA TYR A 75 2.196 0.822 -5.387 1.00 0.00 C ATOM 1189 C TYR A 75 1.204 1.836 -5.958 1.00 0.00 C ATOM 1190 O TYR A 75 0.885 1.796 -7.146 1.00 0.00 O ATOM 1191 CB TYR A 75 3.450 0.801 -6.264 1.00 0.00 C ATOM 1192 CG TYR A 75 3.967 2.191 -6.641 1.00 0.00 C ATOM 1193 CD1 TYR A 75 4.000 3.196 -5.696 1.00 0.00 C ATOM 1194 CD2 TYR A 75 4.400 2.439 -7.928 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.487 4.504 -6.051 1.00 0.00 C ATOM 1196 CE2 TYR A 75 4.886 3.748 -8.283 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.906 4.716 -7.327 1.00 0.00 C ATOM 1198 OH TYR A 75 5.365 5.951 -7.664 1.00 0.00 O ATOM 0 H TYR A 75 1.530 -0.902 -6.377 1.00 0.00 H new ATOM 0 HA TYR A 75 2.410 1.113 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.239 0.261 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.234 0.245 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.660 3.002 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.374 1.653 -8.668 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.519 5.299 -5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.227 3.956 -9.286 1.00 0.00 H new ATOM 0 HH TYR A 75 5.667 6.419 -6.858 1.00 0.00 H new ATOM 1208 N PHE A 76 0.744 2.722 -5.087 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.205 3.745 -5.490 1.00 0.00 C ATOM 1210 C PHE A 76 0.021 5.042 -4.710 1.00 0.00 C ATOM 1211 O PHE A 76 0.910 5.113 -3.861 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.603 3.210 -5.172 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.764 2.709 -3.735 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -1.082 1.611 -3.317 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.590 3.364 -2.875 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -1.232 1.145 -1.983 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.741 2.899 -1.542 1.00 0.00 C ATOM 1218 CZ PHE A 76 -2.058 1.800 -1.124 1.00 0.00 C ATOM 0 H PHE A 76 1.011 2.752 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.085 3.965 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.333 3.998 -5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.834 2.395 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.425 1.092 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.131 4.238 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.690 0.271 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.398 3.418 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.172 1.447 -0.110 1.00 0.00 H new ATOM 1228 N TYR A 77 -0.797 6.034 -5.025 1.00 0.00 N ATOM 1229 CA TYR A 77 -0.697 7.325 -4.364 1.00 0.00 C ATOM 1230 C TYR A 77 -1.850 7.527 -3.377 1.00 0.00 C ATOM 1231 O TYR A 77 -3.015 7.503 -3.767 1.00 0.00 O ATOM 1232 CB TYR A 77 -0.799 8.376 -5.471 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.095 9.694 -5.145 1.00 0.00 C ATOM 1234 CD1 TYR A 77 1.251 9.701 -4.840 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -0.807 10.877 -5.155 1.00 0.00 C ATOM 1236 CE1 TYR A 77 1.913 10.943 -4.533 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -0.145 12.119 -4.848 1.00 0.00 C ATOM 1238 CZ TYR A 77 1.181 12.089 -4.551 1.00 0.00 C ATOM 1239 OH TYR A 77 1.807 13.263 -4.262 1.00 0.00 O ATOM 0 H TYR A 77 -1.532 5.971 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 77 0.235 7.397 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.374 7.966 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.851 8.578 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.808 8.776 -4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.860 10.871 -5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.966 10.964 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.689 13.052 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 77 1.369 13.995 -4.745 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.482 7.723 -2.119 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.469 7.929 -1.075 1.00 0.00 C ATOM 1251 C LEU A 78 -2.644 9.429 -0.833 1.00 0.00 C ATOM 1252 O LEU A 78 -1.741 10.087 -0.322 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.093 7.143 0.182 1.00 0.00 C ATOM 1254 CG LEU A 78 -3.244 6.434 0.901 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -4.106 5.649 -0.089 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -2.720 5.547 2.033 1.00 0.00 C ATOM 0 H LEU A 78 -0.513 7.743 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.439 7.541 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.347 6.397 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.618 7.827 0.885 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.882 7.192 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.916 5.155 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.523 6.332 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.493 4.900 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.558 5.055 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.047 4.794 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.181 6.160 2.756 1.00 0.00 H new ATOM 1268 N GLY A 79 -3.814 9.924 -1.211 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.118 11.335 -1.041 1.00 0.00 C ATOM 1270 C GLY A 79 -3.124 12.208 -1.809 1.00 0.00 C ATOM 1271 O GLY A 79 -3.414 12.659 -2.917 1.00 0.00 O ATOM 0 H GLY A 79 -4.562 9.374 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.130 11.537 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.090 11.591 0.018 1.00 0.00 H new ATOM 1275 N GLN A 80 -1.971 12.419 -1.192 1.00 0.00 N ATOM 1276 CA GLN A 80 -0.932 13.230 -1.804 1.00 0.00 C ATOM 1277 C GLN A 80 0.450 12.722 -1.388 1.00 0.00 C ATOM 1278 O GLN A 80 1.381 13.509 -1.222 1.00 0.00 O ATOM 1279 CB GLN A 80 -1.104 14.707 -1.444 1.00 0.00 C ATOM 1280 CG GLN A 80 -0.759 15.604 -2.633 1.00 0.00 C ATOM 1281 CD GLN A 80 -0.009 16.858 -2.175 1.00 0.00 C ATOM 1282 OE1 GLN A 80 -0.311 17.454 -1.154 1.00 0.00 O ATOM 1283 NE2 GLN A 80 0.982 17.222 -2.983 1.00 0.00 N ATOM 0 H GLN A 80 -1.733 12.042 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.020 13.142 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.132 14.891 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.463 14.956 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.148 15.050 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.673 15.892 -3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.182 16.678 -3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.543 18.045 -2.764 1.00 0.00 H new ATOM 1292 N VAL A 81 0.541 11.410 -1.231 1.00 0.00 N ATOM 1293 CA VAL A 81 1.794 10.788 -0.838 1.00 0.00 C ATOM 1294 C VAL A 81 1.922 9.427 -1.525 1.00 0.00 C ATOM 1295 O VAL A 81 0.918 8.807 -1.871 1.00 0.00 O ATOM 1296 CB VAL A 81 1.878 10.698 0.687 1.00 0.00 C ATOM 1297 CG1 VAL A 81 1.017 9.549 1.215 1.00 0.00 C ATOM 1298 CG2 VAL A 81 3.329 10.552 1.149 1.00 0.00 C ATOM 0 H VAL A 81 -0.233 10.760 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 81 2.639 11.396 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 81 1.487 11.628 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.094 9.506 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.022 9.713 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.365 8.608 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.360 10.490 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.757 9.645 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.905 11.416 0.818 1.00 0.00 H new ATOM 1308 N ALA A 82 3.164 9.003 -1.703 1.00 0.00 N ATOM 1309 CA ALA A 82 3.435 7.727 -2.342 1.00 0.00 C ATOM 1310 C ALA A 82 3.439 6.621 -1.284 1.00 0.00 C ATOM 1311 O ALA A 82 3.930 6.822 -0.174 1.00 0.00 O ATOM 1312 CB ALA A 82 4.758 7.809 -3.105 1.00 0.00 C ATOM 0 H ALA A 82 3.994 9.521 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 82 2.656 7.487 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.961 6.852 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.692 8.588 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.564 8.046 -2.411 1.00 0.00 H new ATOM 1318 N ILE A 83 2.887 5.479 -1.666 1.00 0.00 N ATOM 1319 CA ILE A 83 2.822 4.342 -0.764 1.00 0.00 C ATOM 1320 C ILE A 83 2.928 3.049 -1.573 1.00 0.00 C ATOM 1321 O ILE A 83 2.089 2.777 -2.430 1.00 0.00 O ATOM 1322 CB ILE A 83 1.567 4.421 0.107 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.870 3.996 1.545 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.423 3.607 -0.503 1.00 0.00 C ATOM 1325 CD1 ILE A 83 0.718 4.368 2.482 1.00 0.00 C ATOM 0 H ILE A 83 2.481 5.317 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 83 3.664 4.356 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 83 1.240 5.460 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.040 2.920 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.788 4.476 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.457 3.680 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.186 3.997 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.724 2.563 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.959 4.055 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.566 5.447 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.193 3.867 2.155 1.00 0.00 H new ATOM 1337 N LEU A 84 3.967 2.283 -1.272 1.00 0.00 N ATOM 1338 CA LEU A 84 4.194 1.024 -1.961 1.00 0.00 C ATOM 1339 C LEU A 84 4.386 -0.090 -0.929 1.00 0.00 C ATOM 1340 O LEU A 84 5.362 -0.085 -0.180 1.00 0.00 O ATOM 1341 CB LEU A 84 5.356 1.155 -2.947 1.00 0.00 C ATOM 1342 CG LEU A 84 6.722 1.473 -2.337 1.00 0.00 C ATOM 1343 CD1 LEU A 84 7.774 0.460 -2.789 1.00 0.00 C ATOM 1344 CD2 LEU A 84 7.140 2.911 -2.648 1.00 0.00 C ATOM 0 H LEU A 84 4.661 2.510 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 84 3.325 0.757 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.438 0.223 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.110 1.937 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 84 6.640 1.389 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.736 0.710 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.475 -0.540 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.862 0.487 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.115 3.111 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.200 3.047 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.404 3.601 -2.235 1.00 0.00 H new ATOM 1356 N LEU A 85 3.440 -1.017 -0.924 1.00 0.00 N ATOM 1357 CA LEU A 85 3.493 -2.134 0.004 1.00 0.00 C ATOM 1358 C LEU A 85 3.806 -3.418 -0.768 1.00 0.00 C ATOM 1359 O LEU A 85 3.331 -3.606 -1.886 1.00 0.00 O ATOM 1360 CB LEU A 85 2.205 -2.210 0.826 1.00 0.00 C ATOM 1361 CG LEU A 85 2.069 -3.423 1.748 1.00 0.00 C ATOM 1362 CD1 LEU A 85 2.044 -2.995 3.217 1.00 0.00 C ATOM 1363 CD2 LEU A 85 0.843 -4.260 1.376 1.00 0.00 C ATOM 0 H LEU A 85 2.633 -1.018 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 85 4.297 -1.991 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.131 -1.307 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.358 -2.203 0.140 1.00 0.00 H new ATOM 0 HG LEU A 85 2.946 -4.056 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.947 -3.876 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.970 -2.474 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.198 -2.330 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.770 -5.116 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.055 -3.650 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.940 -4.611 0.349 1.00 0.00 H new ATOM 1375 N PHE A 86 4.605 -4.268 -0.138 1.00 0.00 N ATOM 1376 CA PHE A 86 4.988 -5.529 -0.752 1.00 0.00 C ATOM 1377 C PHE A 86 5.348 -6.568 0.311 1.00 0.00 C ATOM 1378 O PHE A 86 5.646 -6.218 1.450 1.00 0.00 O ATOM 1379 CB PHE A 86 6.219 -5.249 -1.615 1.00 0.00 C ATOM 1380 CG PHE A 86 7.446 -4.793 -0.821 1.00 0.00 C ATOM 1381 CD1 PHE A 86 8.275 -5.714 -0.261 1.00 0.00 C ATOM 1382 CD2 PHE A 86 7.704 -3.466 -0.673 1.00 0.00 C ATOM 1383 CE1 PHE A 86 9.412 -5.289 0.475 1.00 0.00 C ATOM 1384 CE2 PHE A 86 8.840 -3.042 0.063 1.00 0.00 C ATOM 1385 CZ PHE A 86 9.672 -3.962 0.622 1.00 0.00 C ATOM 0 H PHE A 86 4.997 -4.108 0.790 1.00 0.00 H new ATOM 0 HA PHE A 86 4.160 -5.924 -1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.473 -6.152 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.969 -4.483 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.069 -6.768 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.044 -2.735 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.071 -6.020 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.045 -1.988 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.537 -3.639 1.182 1.00 0.00 H new ATOM 1395 N LYS A 87 5.308 -7.827 -0.102 1.00 0.00 N ATOM 1396 CA LYS A 87 5.626 -8.921 0.801 1.00 0.00 C ATOM 1397 C LYS A 87 6.895 -9.623 0.315 1.00 0.00 C ATOM 1398 O LYS A 87 6.847 -10.427 -0.613 1.00 0.00 O ATOM 1399 CB LYS A 87 4.425 -9.857 0.953 1.00 0.00 C ATOM 1400 CG LYS A 87 4.257 -10.300 2.408 1.00 0.00 C ATOM 1401 CD LYS A 87 5.080 -11.556 2.697 1.00 0.00 C ATOM 1402 CE LYS A 87 6.570 -11.226 2.795 1.00 0.00 C ATOM 1403 NZ LYS A 87 7.334 -11.971 1.770 1.00 0.00 N ATOM 0 H LYS A 87 5.060 -8.114 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 87 5.833 -8.542 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.520 -9.351 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.558 -10.731 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.568 -9.496 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.204 -10.495 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.743 -12.009 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.918 -12.291 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.721 -10.155 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.940 -11.479 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.913 -12.702 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.674 -12.421 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.953 -11.314 1.253 1.00 0.00 H new ATOM 1415 N SER A 88 8.001 -9.294 0.965 1.00 0.00 N ATOM 1416 CA SER A 88 9.281 -9.884 0.612 1.00 0.00 C ATOM 1417 C SER A 88 9.908 -10.549 1.839 1.00 0.00 C ATOM 1418 O SER A 88 10.301 -9.870 2.786 1.00 0.00 O ATOM 1419 CB SER A 88 10.232 -8.832 0.035 1.00 0.00 C ATOM 1420 OG SER A 88 10.880 -8.082 1.059 1.00 0.00 O ATOM 0 H SER A 88 8.037 -8.626 1.735 1.00 0.00 H new ATOM 0 HA SER A 88 9.109 -10.640 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.982 -9.322 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.675 -8.155 -0.613 1.00 0.00 H new ATOM 0 HG SER A 88 10.530 -8.353 1.934 1.00 0.00 H new ATOM 1426 N GLY A 89 9.982 -11.871 1.782 1.00 0.00 N ATOM 1427 CA GLY A 89 10.554 -12.637 2.876 1.00 0.00 C ATOM 1428 C GLY A 89 9.891 -12.270 4.206 1.00 0.00 C ATOM 1429 O GLY A 89 10.435 -12.552 5.273 1.00 0.00 O ATOM 0 H GLY A 89 9.655 -12.431 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.428 -13.703 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.626 -12.449 2.935 1.00 0.00 H new TER 1433 GLY A 89