USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 62 ASN : amide:sc= 1.04 X(o=2,f=1.8) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.933 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.033 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.143 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.49 K(o=1.5,f=-7!) USER MOD Single : A 4 TYR OH : rot 115:sc= 1.62 USER MOD Single : A 13 GLN : amide:sc= -0.603! C(o=-0.6!,f=-3.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.581 K(o=0.58,f=-3.2) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.802 (180deg=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 1.19 (180deg=1.18) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.858) USER MOD Single : A 36 ASN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.885 K(o=0.88,f=-0.26) USER MOD Single : A 55 SER OG : rot 62:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0266) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 83 HIS : no HE2:sc= 0.727 K(o=0.73,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.035) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.278 -0.475 1.609 1.00 0.00 N ATOM 2 CA MET A 1 2.736 -0.139 0.266 1.00 0.00 C ATOM 3 C MET A 1 3.140 -1.232 -0.750 1.00 0.00 C ATOM 4 O MET A 1 3.736 -2.234 -0.348 1.00 0.00 O ATOM 5 CB MET A 1 3.126 1.302 -0.139 1.00 0.00 C ATOM 6 CG MET A 1 1.995 1.984 -0.915 1.00 0.00 C ATOM 7 SD MET A 1 2.373 3.614 -1.622 1.00 0.00 S ATOM 8 CE MET A 1 3.682 3.167 -2.793 1.00 0.00 C ATOM 0 H1 MET A 1 2.541 -0.327 2.328 1.00 0.00 H new ATOM 0 H2 MET A 1 3.580 -1.470 1.623 1.00 0.00 H new ATOM 0 H3 MET A 1 4.093 0.137 1.817 1.00 0.00 H new ATOM 0 HA MET A 1 1.646 -0.137 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.360 1.883 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.028 1.279 -0.750 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.689 1.322 -1.725 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.139 2.090 -0.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.780 3.949 -3.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.626 3.057 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.429 2.225 -3.280 1.00 0.00 H new ATOM 20 N LEU A 2 2.780 -1.122 -2.041 1.00 0.00 N ATOM 21 CA LEU A 2 2.725 -2.264 -2.954 1.00 0.00 C ATOM 22 C LEU A 2 3.084 -1.849 -4.393 1.00 0.00 C ATOM 23 O LEU A 2 3.399 -0.685 -4.647 1.00 0.00 O ATOM 24 CB LEU A 2 1.282 -2.793 -2.886 1.00 0.00 C ATOM 25 CG LEU A 2 1.156 -4.318 -2.980 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.511 -4.977 -1.641 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.269 -4.704 -3.389 1.00 0.00 C ATOM 0 H LEU A 2 2.520 -0.236 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 2 3.447 -3.028 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.831 -2.461 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.706 -2.343 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 2 1.855 -4.673 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.415 -6.059 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.537 -4.725 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.834 -4.616 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.348 -5.789 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.974 -4.332 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.500 -4.266 -4.360 1.00 0.00 H new ATOM 39 N GLN A 3 3.012 -2.788 -5.339 1.00 0.00 N ATOM 40 CA GLN A 3 3.251 -2.605 -6.767 1.00 0.00 C ATOM 41 C GLN A 3 2.313 -3.531 -7.556 1.00 0.00 C ATOM 42 O GLN A 3 1.976 -4.613 -7.069 1.00 0.00 O ATOM 43 CB GLN A 3 4.746 -2.898 -7.049 1.00 0.00 C ATOM 44 CG GLN A 3 5.091 -3.300 -8.493 1.00 0.00 C ATOM 45 CD GLN A 3 6.586 -3.475 -8.734 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.082 -4.579 -8.960 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.321 -2.383 -8.737 1.00 0.00 N ATOM 0 H GLN A 3 2.771 -3.753 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 3 3.039 -1.583 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.325 -2.011 -6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.072 -3.696 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.580 -4.232 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.707 -2.541 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.890 -1.478 -8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.321 -2.442 -8.929 1.00 0.00 H new ATOM 56 N TYR A 4 1.958 -3.155 -8.792 1.00 0.00 N ATOM 57 CA TYR A 4 1.402 -4.078 -9.786 1.00 0.00 C ATOM 58 C TYR A 4 2.441 -4.358 -10.866 1.00 0.00 C ATOM 59 O TYR A 4 3.371 -3.571 -11.076 1.00 0.00 O ATOM 60 CB TYR A 4 0.066 -3.586 -10.398 1.00 0.00 C ATOM 61 CG TYR A 4 0.043 -2.310 -11.249 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.929 -2.092 -12.331 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.963 -1.354 -11.010 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.904 -0.886 -13.048 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.002 -0.150 -11.731 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.045 0.105 -12.736 1.00 0.00 C ATOM 67 OH TYR A 4 -0.019 1.286 -13.410 1.00 0.00 O ATOM 0 H TYR A 4 2.050 -2.197 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 4 1.160 -5.007 -9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.327 -4.395 -11.014 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.635 -3.442 -9.576 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.633 -2.863 -12.608 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.716 -1.550 -10.261 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.616 -0.718 -13.842 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.766 0.582 -11.516 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.835 1.375 -13.946 1.00 0.00 H new ATOM 77 N ARG A 5 2.213 -5.418 -11.639 1.00 0.00 N ATOM 78 CA ARG A 5 2.797 -5.625 -12.959 1.00 0.00 C ATOM 79 C ARG A 5 1.651 -6.119 -13.820 1.00 0.00 C ATOM 80 O ARG A 5 0.899 -6.993 -13.389 1.00 0.00 O ATOM 81 CB ARG A 5 3.951 -6.638 -12.917 1.00 0.00 C ATOM 82 CG ARG A 5 5.065 -6.148 -11.989 1.00 0.00 C ATOM 83 CD ARG A 5 6.329 -6.997 -12.075 1.00 0.00 C ATOM 84 NE ARG A 5 7.297 -6.492 -11.088 1.00 0.00 N ATOM 85 CZ ARG A 5 8.595 -6.780 -10.982 1.00 0.00 C ATOM 86 NH1 ARG A 5 9.177 -7.652 -11.800 1.00 0.00 N ATOM 87 NH2 ARG A 5 9.286 -6.164 -10.031 1.00 0.00 N ATOM 0 H ARG A 5 1.597 -6.179 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 5 3.237 -4.710 -13.355 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.582 -7.604 -12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.347 -6.788 -13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.310 -5.115 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.702 -6.150 -10.961 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.097 -8.043 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.751 -6.948 -13.079 1.00 0.00 H new ATOM 0 HE ARG A 5 6.928 -5.839 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.629 -8.115 -12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.171 -7.858 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.822 -5.498 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.281 -6.357 -9.917 1.00 0.00 H new ATOM 101 N ILE A 6 1.467 -5.530 -14.992 1.00 0.00 N ATOM 102 CA ILE A 6 0.287 -5.735 -15.818 1.00 0.00 C ATOM 103 C ILE A 6 0.798 -5.908 -17.239 1.00 0.00 C ATOM 104 O ILE A 6 1.693 -5.171 -17.660 1.00 0.00 O ATOM 105 CB ILE A 6 -0.674 -4.528 -15.672 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.253 -4.445 -14.242 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.816 -4.577 -16.704 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.992 -3.138 -13.952 1.00 0.00 C ATOM 0 H ILE A 6 2.144 -4.886 -15.402 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.287 -6.613 -15.521 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.086 -3.631 -15.863 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.936 -5.280 -14.087 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.441 -4.560 -13.524 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.467 -3.713 -16.568 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.398 -4.561 -17.710 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.393 -5.491 -16.565 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.370 -3.153 -12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.308 -2.298 -14.074 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.826 -3.030 -14.646 1.00 0.00 H new ATOM 120 N ILE A 7 0.204 -6.838 -17.982 1.00 0.00 N ATOM 121 CA ILE A 7 0.422 -6.985 -19.413 1.00 0.00 C ATOM 122 C ILE A 7 -0.971 -6.954 -20.041 1.00 0.00 C ATOM 123 O ILE A 7 -1.894 -7.588 -19.523 1.00 0.00 O ATOM 124 CB ILE A 7 1.217 -8.266 -19.802 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.892 -9.073 -18.657 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.256 -7.897 -20.866 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.156 -8.462 -18.019 1.00 0.00 C ATOM 0 H ILE A 7 -0.451 -7.519 -17.599 1.00 0.00 H new ATOM 0 HA ILE A 7 1.055 -6.179 -19.784 1.00 0.00 H new ATOM 0 HB ILE A 7 0.457 -8.954 -20.171 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.154 -9.224 -17.869 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.151 -10.058 -19.044 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.820 -8.786 -21.147 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.751 -7.495 -21.744 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.937 -7.147 -20.464 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.525 -9.125 -17.236 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.925 -8.338 -18.782 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.913 -7.491 -17.588 1.00 0.00 H new ATOM 139 N VAL A 8 -1.136 -6.194 -21.119 1.00 0.00 N ATOM 140 CA VAL A 8 -2.425 -5.934 -21.747 1.00 0.00 C ATOM 141 C VAL A 8 -2.266 -5.948 -23.264 1.00 0.00 C ATOM 142 O VAL A 8 -1.192 -5.647 -23.794 1.00 0.00 O ATOM 143 CB VAL A 8 -3.021 -4.596 -21.250 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.702 -4.762 -19.892 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.012 -3.440 -21.167 1.00 0.00 C ATOM 0 H VAL A 8 -0.359 -5.732 -21.590 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.125 -6.720 -21.466 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.752 -4.325 -22.012 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.111 -3.804 -19.570 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.508 -5.491 -19.976 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.973 -5.110 -19.160 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.516 -2.542 -20.810 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.211 -3.705 -20.477 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.592 -3.252 -22.155 1.00 0.00 H new ATOM 155 N ASP A 9 -3.350 -6.277 -23.963 1.00 0.00 N ATOM 156 CA ASP A 9 -3.421 -6.329 -25.418 1.00 0.00 C ATOM 157 C ASP A 9 -4.830 -5.904 -25.825 1.00 0.00 C ATOM 158 O ASP A 9 -5.768 -6.065 -25.039 1.00 0.00 O ATOM 159 CB ASP A 9 -3.121 -7.756 -25.888 1.00 0.00 C ATOM 160 CG ASP A 9 -2.790 -7.872 -27.385 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.855 -6.871 -28.132 1.00 0.00 O ATOM 162 OD2 ASP A 9 -2.427 -8.995 -27.801 1.00 0.00 O ATOM 0 H ASP A 9 -4.233 -6.523 -23.515 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.690 -5.663 -25.876 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.283 -8.148 -25.311 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.982 -8.387 -25.668 1.00 0.00 H new ATOM 167 N GLY A 10 -4.988 -5.324 -27.010 1.00 0.00 N ATOM 168 CA GLY A 10 -6.203 -4.686 -27.484 1.00 0.00 C ATOM 169 C GLY A 10 -5.784 -3.493 -28.331 1.00 0.00 C ATOM 170 O GLY A 10 -4.664 -3.461 -28.850 1.00 0.00 O ATOM 0 H GLY A 10 -4.234 -5.286 -27.696 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.800 -5.384 -28.071 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.821 -4.365 -26.646 1.00 0.00 H new ATOM 174 N ARG A 11 -6.627 -2.462 -28.398 1.00 0.00 N ATOM 175 CA ARG A 11 -6.183 -1.136 -28.827 1.00 0.00 C ATOM 176 C ARG A 11 -5.446 -0.476 -27.655 1.00 0.00 C ATOM 177 O ARG A 11 -5.872 0.560 -27.149 1.00 0.00 O ATOM 178 CB ARG A 11 -7.370 -0.299 -29.349 1.00 0.00 C ATOM 179 CG ARG A 11 -6.905 0.966 -30.098 1.00 0.00 C ATOM 180 CD ARG A 11 -8.008 2.026 -30.175 1.00 0.00 C ATOM 181 NE ARG A 11 -9.171 1.592 -30.970 1.00 0.00 N ATOM 182 CZ ARG A 11 -10.385 2.157 -30.928 1.00 0.00 C ATOM 183 NH1 ARG A 11 -10.639 3.168 -30.099 1.00 0.00 N ATOM 184 NH2 ARG A 11 -11.350 1.698 -31.719 1.00 0.00 N ATOM 0 H ARG A 11 -7.618 -2.519 -28.162 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.492 -1.213 -29.666 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.979 -0.911 -30.015 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.005 -0.011 -28.512 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.034 1.385 -29.595 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.591 0.695 -31.106 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.337 2.274 -29.166 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.598 2.938 -30.609 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.041 0.801 -31.601 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.905 3.521 -29.486 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.568 3.589 -30.077 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.164 0.921 -32.352 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.277 2.123 -31.692 1.00 0.00 H new ATOM 198 N VAL A 12 -4.382 -1.118 -27.172 1.00 0.00 N ATOM 199 CA VAL A 12 -3.526 -0.597 -26.108 1.00 0.00 C ATOM 200 C VAL A 12 -2.454 0.333 -26.680 1.00 0.00 C ATOM 201 O VAL A 12 -1.813 1.067 -25.932 1.00 0.00 O ATOM 202 CB VAL A 12 -2.918 -1.759 -25.301 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.032 -2.466 -24.524 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.167 -2.789 -26.163 1.00 0.00 C ATOM 0 H VAL A 12 -4.086 -2.031 -27.516 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.130 -0.001 -25.424 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.180 -1.321 -24.630 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.609 -3.290 -23.950 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.508 -1.758 -23.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.773 -2.854 -25.223 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.767 -3.576 -25.524 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.853 -3.225 -26.890 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.348 -2.297 -26.687 1.00 0.00 H new ATOM 214 N GLN A 13 -2.274 0.335 -28.002 1.00 0.00 N ATOM 215 CA GLN A 13 -1.553 1.345 -28.760 1.00 0.00 C ATOM 216 C GLN A 13 -2.553 1.811 -29.824 1.00 0.00 C ATOM 217 O GLN A 13 -3.409 1.035 -30.265 1.00 0.00 O ATOM 218 CB GLN A 13 -0.263 0.772 -29.384 1.00 0.00 C ATOM 219 CG GLN A 13 0.766 0.167 -28.405 1.00 0.00 C ATOM 220 CD GLN A 13 1.485 1.189 -27.518 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.645 1.537 -27.727 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.846 1.678 -26.471 1.00 0.00 N ATOM 0 H GLN A 13 -2.647 -0.405 -28.596 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.214 2.171 -28.134 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.544 0.002 -30.102 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.227 1.568 -29.945 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.258 -0.555 -27.765 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.511 -0.384 -28.978 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.117 1.398 -26.285 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.315 2.335 -25.848 1.00 0.00 H new ATOM 281 N ARG A 18 -0.252 4.717 -25.120 1.00 0.00 N ATOM 282 CA ARG A 18 -0.023 4.363 -23.707 1.00 0.00 C ATOM 283 C ARG A 18 0.099 5.516 -22.695 1.00 0.00 C ATOM 284 O ARG A 18 0.149 5.231 -21.502 1.00 0.00 O ATOM 285 CB ARG A 18 1.062 3.273 -23.542 1.00 0.00 C ATOM 286 CG ARG A 18 2.410 3.530 -24.243 1.00 0.00 C ATOM 287 CD ARG A 18 3.328 2.295 -24.199 1.00 0.00 C ATOM 288 NE ARG A 18 4.271 2.302 -25.334 1.00 0.00 N ATOM 289 CZ ARG A 18 5.558 2.668 -25.307 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.165 2.986 -24.167 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.253 2.708 -26.437 1.00 0.00 N ATOM 0 HA ARG A 18 -0.978 3.929 -23.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.252 3.140 -22.477 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.658 2.331 -23.914 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.231 3.812 -25.281 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.912 4.372 -23.766 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.882 2.281 -23.260 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.725 1.387 -24.227 1.00 0.00 H new ATOM 0 HE ARG A 18 3.903 1.995 -26.235 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.649 2.954 -23.288 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.147 3.262 -24.172 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.806 2.461 -27.320 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.234 2.986 -26.423 1.00 0.00 H new ATOM 305 N TYR A 19 0.035 6.795 -23.069 1.00 0.00 N ATOM 306 CA TYR A 19 -0.158 7.854 -22.087 1.00 0.00 C ATOM 307 C TYR A 19 -1.541 7.745 -21.449 1.00 0.00 C ATOM 308 O TYR A 19 -1.700 8.244 -20.341 1.00 0.00 O ATOM 309 CB TYR A 19 0.079 9.258 -22.661 1.00 0.00 C ATOM 310 CG TYR A 19 -0.918 9.717 -23.702 1.00 0.00 C ATOM 311 CD1 TYR A 19 -2.122 10.334 -23.309 1.00 0.00 C ATOM 312 CD2 TYR A 19 -0.632 9.534 -25.065 1.00 0.00 C ATOM 313 CE1 TYR A 19 -3.060 10.733 -24.275 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.571 9.923 -26.037 1.00 0.00 C ATOM 315 CZ TYR A 19 -2.796 10.512 -25.645 1.00 0.00 C ATOM 316 OH TYR A 19 -3.732 10.854 -26.571 1.00 0.00 O ATOM 0 H TYR A 19 0.113 7.117 -24.034 1.00 0.00 H new ATOM 0 HA TYR A 19 0.599 7.712 -21.316 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.073 9.973 -21.838 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.076 9.287 -23.101 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.324 10.501 -22.261 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.308 9.095 -25.366 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.981 11.208 -23.971 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.356 9.772 -27.085 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.399 10.640 -27.467 1.00 0.00 H new ATOM 326 N PHE A 20 -2.527 7.089 -22.085 1.00 0.00 N ATOM 327 CA PHE A 20 -3.857 6.948 -21.492 1.00 0.00 C ATOM 328 C PHE A 20 -3.782 6.321 -20.100 1.00 0.00 C ATOM 329 O PHE A 20 -4.298 6.896 -19.137 1.00 0.00 O ATOM 330 CB PHE A 20 -4.838 6.213 -22.427 1.00 0.00 C ATOM 331 CG PHE A 20 -4.801 4.689 -22.431 1.00 0.00 C ATOM 332 CD1 PHE A 20 -3.955 3.999 -23.321 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.646 3.952 -21.572 1.00 0.00 C ATOM 334 CE1 PHE A 20 -3.979 2.593 -23.370 1.00 0.00 C ATOM 335 CE2 PHE A 20 -5.687 2.546 -21.632 1.00 0.00 C ATOM 336 CZ PHE A 20 -4.857 1.868 -22.543 1.00 0.00 C ATOM 0 H PHE A 20 -2.424 6.653 -23.002 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.265 7.951 -21.364 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.849 6.524 -22.164 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.653 6.556 -23.445 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.287 4.550 -23.967 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.269 4.474 -20.860 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.320 2.068 -24.046 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.350 1.993 -20.984 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.894 0.791 -22.608 1.00 0.00 H new ATOM 346 N VAL A 21 -3.063 5.202 -19.958 1.00 0.00 N ATOM 347 CA VAL A 21 -2.907 4.596 -18.655 1.00 0.00 C ATOM 348 C VAL A 21 -2.162 5.538 -17.717 1.00 0.00 C ATOM 349 O VAL A 21 -2.505 5.588 -16.547 1.00 0.00 O ATOM 350 CB VAL A 21 -2.256 3.209 -18.727 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.201 2.187 -19.366 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.906 3.127 -19.442 1.00 0.00 C ATOM 0 H VAL A 21 -2.593 4.714 -20.720 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.903 4.431 -18.243 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.057 2.980 -17.680 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.712 1.213 -19.404 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.112 2.113 -18.772 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.452 2.506 -20.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.548 2.097 -19.427 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.021 3.457 -20.475 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.186 3.768 -18.934 1.00 0.00 H new ATOM 362 N GLN A 22 -1.216 6.345 -18.195 1.00 0.00 N ATOM 363 CA GLN A 22 -0.485 7.245 -17.315 1.00 0.00 C ATOM 364 C GLN A 22 -1.340 8.436 -16.860 1.00 0.00 C ATOM 365 O GLN A 22 -1.135 8.938 -15.753 1.00 0.00 O ATOM 366 CB GLN A 22 0.845 7.655 -17.957 1.00 0.00 C ATOM 367 CG GLN A 22 1.740 6.480 -18.416 1.00 0.00 C ATOM 368 CD GLN A 22 2.031 5.387 -17.369 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.141 4.808 -16.757 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.285 5.033 -17.149 1.00 0.00 N ATOM 0 H GLN A 22 -0.942 6.392 -19.176 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.243 6.709 -16.397 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.635 8.290 -18.818 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.404 8.260 -17.244 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.269 6.009 -19.279 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.692 6.889 -18.756 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.042 5.501 -17.647 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.496 4.292 -16.481 1.00 0.00 H new ATOM 379 N MET A 23 -2.354 8.839 -17.635 1.00 0.00 N ATOM 380 CA MET A 23 -3.376 9.766 -17.149 1.00 0.00 C ATOM 381 C MET A 23 -4.166 9.086 -16.033 1.00 0.00 C ATOM 382 O MET A 23 -4.364 9.666 -14.966 1.00 0.00 O ATOM 383 CB MET A 23 -4.361 10.192 -18.249 1.00 0.00 C ATOM 384 CG MET A 23 -3.729 10.917 -19.439 1.00 0.00 C ATOM 385 SD MET A 23 -4.951 11.679 -20.547 1.00 0.00 S ATOM 386 CE MET A 23 -5.721 10.207 -21.281 1.00 0.00 C ATOM 0 H MET A 23 -2.486 8.536 -18.600 1.00 0.00 H new ATOM 0 HA MET A 23 -2.863 10.660 -16.795 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.878 9.305 -18.616 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.117 10.841 -17.807 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.054 11.688 -19.069 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.125 10.210 -20.007 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.730 10.452 -21.613 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.129 9.873 -22.133 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.767 9.411 -20.537 1.00 0.00 H new ATOM 396 N GLU A 24 -4.593 7.840 -16.258 1.00 0.00 N ATOM 397 CA GLU A 24 -5.362 7.090 -15.270 1.00 0.00 C ATOM 398 C GLU A 24 -4.516 6.781 -14.017 1.00 0.00 C ATOM 399 O GLU A 24 -5.059 6.708 -12.913 1.00 0.00 O ATOM 400 CB GLU A 24 -5.954 5.833 -15.935 1.00 0.00 C ATOM 401 CG GLU A 24 -6.924 6.156 -17.095 1.00 0.00 C ATOM 402 CD GLU A 24 -8.193 6.866 -16.607 1.00 0.00 C ATOM 403 OE1 GLU A 24 -9.166 6.181 -16.220 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.223 8.114 -16.561 1.00 0.00 O ATOM 0 H GLU A 24 -4.416 7.330 -17.123 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.195 7.696 -14.912 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.141 5.213 -16.312 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.481 5.246 -15.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.416 6.785 -17.827 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.199 5.232 -17.604 1.00 0.00 H new ATOM 411 N ALA A 25 -3.191 6.673 -14.161 1.00 0.00 N ATOM 412 CA ALA A 25 -2.230 6.510 -13.082 1.00 0.00 C ATOM 413 C ALA A 25 -2.161 7.785 -12.249 1.00 0.00 C ATOM 414 O ALA A 25 -2.267 7.712 -11.027 1.00 0.00 O ATOM 415 CB ALA A 25 -0.843 6.181 -13.657 1.00 0.00 C ATOM 0 H ALA A 25 -2.746 6.699 -15.078 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.551 5.687 -12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.130 6.061 -12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.897 5.256 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.517 6.993 -14.307 1.00 0.00 H new ATOM 421 N ASP A 26 -2.029 8.951 -12.889 1.00 0.00 N ATOM 422 CA ASP A 26 -2.037 10.245 -12.200 1.00 0.00 C ATOM 423 C ASP A 26 -3.361 10.476 -11.473 1.00 0.00 C ATOM 424 O ASP A 26 -3.371 10.930 -10.331 1.00 0.00 O ATOM 425 CB ASP A 26 -1.778 11.387 -13.185 1.00 0.00 C ATOM 426 CG ASP A 26 -1.951 12.750 -12.496 1.00 0.00 C ATOM 427 OD1 ASP A 26 -1.127 13.096 -11.620 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.906 13.483 -12.830 1.00 0.00 O ATOM 0 H ASP A 26 -1.914 9.024 -13.900 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.236 10.228 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.769 11.304 -13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.466 11.310 -14.027 1.00 0.00 H new ATOM 433 N LYS A 27 -4.479 10.070 -12.080 1.00 0.00 N ATOM 434 CA LYS A 27 -5.804 10.081 -11.462 1.00 0.00 C ATOM 435 C LYS A 27 -5.873 9.209 -10.195 1.00 0.00 C ATOM 436 O LYS A 27 -6.792 9.383 -9.393 1.00 0.00 O ATOM 437 CB LYS A 27 -6.831 9.727 -12.559 1.00 0.00 C ATOM 438 CG LYS A 27 -8.301 9.587 -12.122 1.00 0.00 C ATOM 439 CD LYS A 27 -8.700 8.135 -11.796 1.00 0.00 C ATOM 440 CE LYS A 27 -8.782 7.202 -13.013 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.888 7.553 -13.939 1.00 0.00 N ATOM 0 H LYS A 27 -4.486 9.717 -13.037 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.046 11.072 -11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.779 10.494 -13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.524 8.788 -13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.474 10.210 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.947 9.966 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.979 7.725 -11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.668 8.143 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.837 7.237 -13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.915 6.176 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.873 6.911 -14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.798 7.461 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.769 8.533 -14.266 1.00 0.00 H new ATOM 455 N ARG A 28 -4.925 8.293 -9.960 1.00 0.00 N ATOM 456 CA ARG A 28 -4.790 7.513 -8.719 1.00 0.00 C ATOM 457 C ARG A 28 -3.464 7.820 -7.999 1.00 0.00 C ATOM 458 O ARG A 28 -3.112 7.109 -7.058 1.00 0.00 O ATOM 459 CB ARG A 28 -4.932 6.005 -9.033 1.00 0.00 C ATOM 460 CG ARG A 28 -6.283 5.504 -9.577 1.00 0.00 C ATOM 461 CD ARG A 28 -7.471 5.609 -8.604 1.00 0.00 C ATOM 462 NE ARG A 28 -7.923 6.996 -8.409 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.962 7.421 -7.684 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.743 6.565 -7.032 1.00 0.00 N ATOM 465 NH2 ARG A 28 -9.192 8.728 -7.631 1.00 0.00 N ATOM 0 H ARG A 28 -4.208 8.066 -10.648 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.589 7.803 -8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.162 5.741 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.714 5.452 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.523 6.068 -10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.171 4.461 -9.874 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.300 5.011 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.186 5.185 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.379 7.717 -8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.554 5.564 -7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.531 6.909 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.584 9.374 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.977 9.086 -7.087 1.00 0.00 H new ATOM 479 N LYS A 29 -2.735 8.865 -8.415 1.00 0.00 N ATOM 480 CA LYS A 29 -1.385 9.228 -7.965 1.00 0.00 C ATOM 481 C LYS A 29 -0.457 8.014 -7.810 1.00 0.00 C ATOM 482 O LYS A 29 0.341 7.939 -6.873 1.00 0.00 O ATOM 483 CB LYS A 29 -1.457 10.150 -6.728 1.00 0.00 C ATOM 484 CG LYS A 29 -2.210 11.472 -6.977 1.00 0.00 C ATOM 485 CD LYS A 29 -1.487 12.403 -7.965 1.00 0.00 C ATOM 486 CE LYS A 29 -2.353 13.626 -8.288 1.00 0.00 C ATOM 487 NZ LYS A 29 -1.704 14.507 -9.287 1.00 0.00 N ATOM 0 H LYS A 29 -3.092 9.516 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.907 9.811 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.945 9.613 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.444 10.377 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.206 11.249 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.342 11.992 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.537 12.726 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.258 11.861 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.321 13.297 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.543 14.189 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.401 15.185 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.922 15.025 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.333 13.931 -10.069 1.00 0.00 H new ATOM 501 N LEU A 30 -0.560 7.063 -8.740 1.00 0.00 N ATOM 502 CA LEU A 30 0.410 5.987 -8.909 1.00 0.00 C ATOM 503 C LEU A 30 1.692 6.563 -9.521 1.00 0.00 C ATOM 504 O LEU A 30 1.675 7.664 -10.081 1.00 0.00 O ATOM 505 CB LEU A 30 -0.185 4.902 -9.823 1.00 0.00 C ATOM 506 CG LEU A 30 -1.388 4.147 -9.230 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.877 3.120 -10.248 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.040 3.425 -7.929 1.00 0.00 C ATOM 0 H LEU A 30 -1.332 7.021 -9.405 1.00 0.00 H new ATOM 0 HA LEU A 30 0.647 5.538 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.491 5.365 -10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.596 4.181 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.161 4.882 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.730 2.579 -9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.177 3.630 -11.164 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.074 2.417 -10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.923 2.908 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.247 2.700 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.701 4.151 -7.190 1.00 0.00 H new ATOM 520 N ALA A 31 2.792 5.808 -9.465 1.00 0.00 N ATOM 521 CA ALA A 31 4.074 6.186 -10.054 1.00 0.00 C ATOM 522 C ALA A 31 4.740 4.927 -10.605 1.00 0.00 C ATOM 523 O ALA A 31 4.720 3.893 -9.937 1.00 0.00 O ATOM 524 CB ALA A 31 4.946 6.840 -8.980 1.00 0.00 C ATOM 0 H ALA A 31 2.814 4.901 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 31 3.934 6.901 -10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.905 7.125 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.444 7.728 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.111 6.134 -8.166 1.00 0.00 H new ATOM 530 N GLY A 32 5.297 4.982 -11.815 1.00 0.00 N ATOM 531 CA GLY A 32 5.646 3.784 -12.567 1.00 0.00 C ATOM 532 C GLY A 32 5.923 4.087 -14.032 1.00 0.00 C ATOM 533 O GLY A 32 6.036 5.253 -14.412 1.00 0.00 O ATOM 0 H GLY A 32 5.517 5.854 -12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.526 3.320 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.833 3.061 -12.494 1.00 0.00 H new ATOM 537 N TRP A 33 6.005 3.055 -14.871 1.00 0.00 N ATOM 538 CA TRP A 33 6.300 3.188 -16.290 1.00 0.00 C ATOM 539 C TRP A 33 5.400 2.295 -17.149 1.00 0.00 C ATOM 540 O TRP A 33 4.844 1.304 -16.660 1.00 0.00 O ATOM 541 CB TRP A 33 7.791 2.916 -16.540 1.00 0.00 C ATOM 542 CG TRP A 33 8.315 1.561 -16.163 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.211 0.436 -16.907 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.078 1.176 -14.976 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.871 -0.603 -16.283 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.452 -0.196 -15.101 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.512 1.854 -13.816 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.248 -0.847 -14.145 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.289 1.202 -12.837 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.665 -0.143 -13.004 1.00 0.00 C ATOM 0 H TRP A 33 5.865 2.089 -14.575 1.00 0.00 H new ATOM 0 HA TRP A 33 6.083 4.213 -16.592 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.989 3.072 -17.600 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.367 3.664 -15.995 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.689 0.362 -17.850 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.922 -1.553 -16.650 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.244 2.891 -13.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.536 -1.878 -14.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 10.598 1.739 -11.952 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.272 -0.633 -12.257 1.00 0.00 H new ATOM 561 N VAL A 34 5.288 2.641 -18.440 1.00 0.00 N ATOM 562 CA VAL A 34 4.575 1.839 -19.439 1.00 0.00 C ATOM 563 C VAL A 34 5.431 1.668 -20.696 1.00 0.00 C ATOM 564 O VAL A 34 6.121 2.595 -21.131 1.00 0.00 O ATOM 565 CB VAL A 34 3.174 2.431 -19.695 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.211 3.794 -20.393 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.312 1.448 -20.496 1.00 0.00 C ATOM 0 H VAL A 34 5.695 3.495 -18.821 1.00 0.00 H new ATOM 0 HA VAL A 34 4.406 0.830 -19.062 1.00 0.00 H new ATOM 0 HB VAL A 34 2.727 2.594 -18.714 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.193 4.154 -20.543 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.760 4.505 -19.775 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.707 3.695 -21.359 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.327 1.883 -20.667 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.789 1.243 -21.454 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.206 0.518 -19.937 1.00 0.00 H new ATOM 577 N LYS A 35 5.377 0.480 -21.302 1.00 0.00 N ATOM 578 CA LYS A 35 6.298 0.002 -22.334 1.00 0.00 C ATOM 579 C LYS A 35 5.502 -0.792 -23.368 1.00 0.00 C ATOM 580 O LYS A 35 4.480 -1.383 -23.024 1.00 0.00 O ATOM 581 CB LYS A 35 7.328 -0.886 -21.613 1.00 0.00 C ATOM 582 CG LYS A 35 8.426 -1.499 -22.500 1.00 0.00 C ATOM 583 CD LYS A 35 9.453 -2.301 -21.679 1.00 0.00 C ATOM 584 CE LYS A 35 8.777 -3.453 -20.917 1.00 0.00 C ATOM 585 NZ LYS A 35 9.715 -4.232 -20.075 1.00 0.00 N ATOM 0 H LYS A 35 4.657 -0.206 -21.076 1.00 0.00 H new ATOM 0 HA LYS A 35 6.805 0.813 -22.857 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.807 -0.294 -20.833 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.795 -1.697 -21.116 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.968 -2.151 -23.244 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.938 -0.705 -23.044 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.220 -2.701 -22.342 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.955 -1.639 -20.973 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.986 -3.047 -20.287 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.301 -4.123 -21.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.179 -4.764 -19.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.249 -4.895 -20.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.376 -3.584 -19.601 1.00 0.00 H new ATOM 599 N ASN A 36 5.981 -0.850 -24.609 1.00 0.00 N ATOM 600 CA ASN A 36 5.446 -1.736 -25.648 1.00 0.00 C ATOM 601 C ASN A 36 6.455 -2.862 -25.848 1.00 0.00 C ATOM 602 O ASN A 36 7.640 -2.603 -26.061 1.00 0.00 O ATOM 603 CB ASN A 36 5.201 -0.965 -26.953 1.00 0.00 C ATOM 604 CG ASN A 36 4.998 -1.889 -28.155 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.733 -1.805 -29.134 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.024 -2.786 -28.127 1.00 0.00 N ATOM 0 H ASN A 36 6.762 -0.277 -24.928 1.00 0.00 H new ATOM 0 HA ASN A 36 4.482 -2.145 -25.345 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.323 -0.330 -26.836 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.048 -0.306 -27.145 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.883 -3.410 -28.921 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.415 -2.853 -27.311 1.00 0.00 H new ATOM 613 N ARG A 37 5.993 -4.105 -25.726 1.00 0.00 N ATOM 614 CA ARG A 37 6.835 -5.295 -25.769 1.00 0.00 C ATOM 615 C ARG A 37 7.034 -5.699 -27.223 1.00 0.00 C ATOM 616 O ARG A 37 6.095 -5.612 -28.018 1.00 0.00 O ATOM 617 CB ARG A 37 6.173 -6.454 -25.008 1.00 0.00 C ATOM 618 CG ARG A 37 5.643 -6.084 -23.616 1.00 0.00 C ATOM 619 CD ARG A 37 5.072 -7.310 -22.891 1.00 0.00 C ATOM 620 NE ARG A 37 5.996 -7.841 -21.886 1.00 0.00 N ATOM 621 CZ ARG A 37 6.837 -8.870 -21.982 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.947 -9.598 -23.091 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.568 -9.135 -20.908 1.00 0.00 N ATOM 0 H ARG A 37 5.004 -4.315 -25.592 1.00 0.00 H new ATOM 0 HA ARG A 37 7.793 -5.073 -25.299 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.347 -6.839 -25.606 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.896 -7.263 -24.904 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.447 -5.650 -23.022 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.869 -5.322 -23.710 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.132 -7.040 -22.410 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.845 -8.088 -23.620 1.00 0.00 H new ATOM 0 HE ARG A 37 5.996 -7.356 -20.989 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.376 -9.375 -23.906 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.603 -10.379 -23.126 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.468 -8.563 -20.069 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.230 -9.911 -20.920 1.00 0.00 H new ATOM 637 N ASP A 38 8.215 -6.222 -27.551 1.00 0.00 N ATOM 638 CA ASP A 38 8.540 -6.695 -28.899 1.00 0.00 C ATOM 639 C ASP A 38 7.609 -7.828 -29.347 1.00 0.00 C ATOM 640 O ASP A 38 7.319 -7.952 -30.538 1.00 0.00 O ATOM 641 CB ASP A 38 9.998 -7.167 -28.944 1.00 0.00 C ATOM 642 CG ASP A 38 10.371 -7.708 -30.335 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.525 -6.903 -31.281 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.554 -8.938 -30.483 1.00 0.00 O ATOM 0 H ASP A 38 8.980 -6.331 -26.885 1.00 0.00 H new ATOM 0 HA ASP A 38 8.400 -5.862 -29.588 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.658 -6.339 -28.685 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.153 -7.944 -28.196 1.00 0.00 H new ATOM 649 N ASP A 39 7.100 -8.627 -28.402 1.00 0.00 N ATOM 650 CA ASP A 39 6.162 -9.719 -28.680 1.00 0.00 C ATOM 651 C ASP A 39 4.761 -9.227 -29.079 1.00 0.00 C ATOM 652 O ASP A 39 3.950 -10.037 -29.530 1.00 0.00 O ATOM 653 CB ASP A 39 6.086 -10.706 -27.502 1.00 0.00 C ATOM 654 CG ASP A 39 5.141 -10.254 -26.383 1.00 0.00 C ATOM 655 OD1 ASP A 39 5.598 -9.501 -25.497 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.964 -10.679 -26.374 1.00 0.00 O ATOM 0 H ASP A 39 7.331 -8.532 -27.413 1.00 0.00 H new ATOM 0 HA ASP A 39 6.562 -10.246 -29.546 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.758 -11.677 -27.873 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.085 -10.843 -27.089 1.00 0.00 H new ATOM 661 N GLY A 40 4.471 -7.923 -28.966 1.00 0.00 N ATOM 662 CA GLY A 40 3.221 -7.332 -29.440 1.00 0.00 C ATOM 663 C GLY A 40 2.208 -7.150 -28.312 1.00 0.00 C ATOM 664 O GLY A 40 1.042 -7.511 -28.470 1.00 0.00 O ATOM 0 H GLY A 40 5.105 -7.248 -28.539 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.429 -6.366 -29.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.791 -7.967 -30.214 1.00 0.00 H new ATOM 668 N ARG A 41 2.649 -6.618 -27.170 1.00 0.00 N ATOM 669 CA ARG A 41 1.843 -6.384 -25.967 1.00 0.00 C ATOM 670 C ARG A 41 2.196 -5.000 -25.431 1.00 0.00 C ATOM 671 O ARG A 41 3.169 -4.387 -25.882 1.00 0.00 O ATOM 672 CB ARG A 41 2.144 -7.488 -24.919 1.00 0.00 C ATOM 673 CG ARG A 41 0.954 -8.369 -24.492 1.00 0.00 C ATOM 674 CD ARG A 41 0.280 -9.125 -25.648 1.00 0.00 C ATOM 675 NE ARG A 41 1.202 -10.019 -26.361 1.00 0.00 N ATOM 676 CZ ARG A 41 0.897 -10.789 -27.410 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.310 -10.776 -27.974 1.00 0.00 N ATOM 678 NH2 ARG A 41 1.843 -11.590 -27.875 1.00 0.00 N ATOM 0 H ARG A 41 3.619 -6.326 -27.052 1.00 0.00 H new ATOM 0 HA ARG A 41 0.777 -6.424 -26.193 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.923 -8.137 -25.320 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.553 -7.011 -24.028 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.299 -9.092 -23.753 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.210 -7.741 -24.001 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.554 -9.708 -25.257 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.137 -8.405 -26.352 1.00 0.00 H new ATOM 0 HE ARG A 41 2.164 -10.056 -26.024 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.038 -10.164 -27.606 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.506 -11.378 -28.774 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.763 -11.603 -27.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.652 -12.194 -28.674 1.00 0.00 H new ATOM 692 N VAL A 42 1.478 -4.525 -24.423 1.00 0.00 N ATOM 693 CA VAL A 42 1.903 -3.394 -23.607 1.00 0.00 C ATOM 694 C VAL A 42 2.096 -3.944 -22.197 1.00 0.00 C ATOM 695 O VAL A 42 1.363 -4.836 -21.771 1.00 0.00 O ATOM 696 CB VAL A 42 0.881 -2.245 -23.734 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.013 -1.167 -22.648 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.035 -1.570 -25.105 1.00 0.00 C ATOM 0 H VAL A 42 0.578 -4.916 -24.146 1.00 0.00 H new ATOM 0 HA VAL A 42 2.845 -2.948 -23.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.100 -2.704 -23.615 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.260 -0.396 -22.808 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.867 -1.619 -21.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.006 -0.720 -22.698 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.313 -0.758 -25.194 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.044 -1.170 -25.202 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.857 -2.302 -25.893 1.00 0.00 H new ATOM 708 N GLU A 43 3.096 -3.426 -21.489 1.00 0.00 N ATOM 709 CA GLU A 43 3.461 -3.827 -20.142 1.00 0.00 C ATOM 710 C GLU A 43 3.491 -2.557 -19.300 1.00 0.00 C ATOM 711 O GLU A 43 3.947 -1.512 -19.771 1.00 0.00 O ATOM 712 CB GLU A 43 4.827 -4.534 -20.172 1.00 0.00 C ATOM 713 CG GLU A 43 5.265 -5.063 -18.798 1.00 0.00 C ATOM 714 CD GLU A 43 6.581 -5.856 -18.885 1.00 0.00 C ATOM 715 OE1 GLU A 43 6.555 -7.036 -19.304 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.654 -5.296 -18.566 1.00 0.00 O ATOM 0 H GLU A 43 3.695 -2.687 -21.856 1.00 0.00 H new ATOM 0 HA GLU A 43 2.749 -4.532 -19.714 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.784 -5.364 -20.877 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.580 -3.839 -20.544 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.389 -4.227 -18.109 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.482 -5.701 -18.388 1.00 0.00 H new ATOM 723 N ILE A 44 3.005 -2.646 -18.066 1.00 0.00 N ATOM 724 CA ILE A 44 2.848 -1.531 -17.154 1.00 0.00 C ATOM 725 C ILE A 44 3.381 -2.012 -15.805 1.00 0.00 C ATOM 726 O ILE A 44 3.119 -3.155 -15.412 1.00 0.00 O ATOM 727 CB ILE A 44 1.357 -1.128 -17.023 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.457 -1.451 -18.245 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.286 0.361 -16.642 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.011 -1.049 -18.063 1.00 0.00 C ATOM 0 H ILE A 44 2.700 -3.532 -17.664 1.00 0.00 H new ATOM 0 HA ILE A 44 3.385 -0.654 -17.514 1.00 0.00 H new ATOM 0 HB ILE A 44 0.935 -1.756 -16.238 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.856 -0.941 -19.122 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.507 -2.521 -18.448 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.243 0.663 -16.545 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.799 0.519 -15.693 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.766 0.958 -17.417 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.573 -1.308 -18.960 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.430 -1.578 -17.207 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.075 0.026 -17.892 1.00 0.00 H new ATOM 742 N LEU A 45 4.084 -1.151 -15.073 1.00 0.00 N ATOM 743 CA LEU A 45 4.589 -1.471 -13.740 1.00 0.00 C ATOM 744 C LEU A 45 4.559 -0.184 -12.936 1.00 0.00 C ATOM 745 O LEU A 45 5.089 0.821 -13.406 1.00 0.00 O ATOM 746 CB LEU A 45 6.003 -2.062 -13.879 1.00 0.00 C ATOM 747 CG LEU A 45 6.713 -2.406 -12.552 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.822 -3.429 -12.835 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.347 -1.183 -11.877 1.00 0.00 C ATOM 0 H LEU A 45 4.320 -0.210 -15.388 1.00 0.00 H new ATOM 0 HA LEU A 45 3.985 -2.217 -13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.942 -2.967 -14.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.622 -1.353 -14.429 1.00 0.00 H new ATOM 0 HG LEU A 45 5.956 -2.802 -11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.331 -3.680 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.385 -4.330 -13.264 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.539 -3.004 -13.538 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.830 -1.489 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.088 -0.743 -12.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.574 -0.447 -11.657 1.00 0.00 H new ATOM 761 N ALA A 46 3.945 -0.195 -11.751 1.00 0.00 N ATOM 762 CA ALA A 46 3.844 0.982 -10.899 1.00 0.00 C ATOM 763 C ALA A 46 3.789 0.570 -9.438 1.00 0.00 C ATOM 764 O ALA A 46 3.247 -0.490 -9.119 1.00 0.00 O ATOM 765 CB ALA A 46 2.577 1.776 -11.242 1.00 0.00 C ATOM 0 H ALA A 46 3.503 -1.026 -11.358 1.00 0.00 H new ATOM 0 HA ALA A 46 4.722 1.604 -11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.512 2.654 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.617 2.092 -12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.700 1.147 -11.087 1.00 0.00 H new ATOM 771 N GLU A 47 4.313 1.424 -8.562 1.00 0.00 N ATOM 772 CA GLU A 47 4.105 1.336 -7.127 1.00 0.00 C ATOM 773 C GLU A 47 2.831 2.114 -6.753 1.00 0.00 C ATOM 774 O GLU A 47 2.455 3.070 -7.441 1.00 0.00 O ATOM 775 CB GLU A 47 5.337 1.845 -6.358 1.00 0.00 C ATOM 776 CG GLU A 47 5.663 3.337 -6.535 1.00 0.00 C ATOM 777 CD GLU A 47 6.839 3.739 -5.634 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.995 3.441 -6.009 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.607 4.315 -4.547 1.00 0.00 O ATOM 0 H GLU A 47 4.903 2.208 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 47 3.970 0.293 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.187 1.648 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.204 1.263 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.909 3.541 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.787 3.938 -6.291 1.00 0.00 H new ATOM 786 N GLY A 48 2.184 1.734 -5.650 1.00 0.00 N ATOM 787 CA GLY A 48 1.031 2.430 -5.093 1.00 0.00 C ATOM 788 C GLY A 48 0.347 1.604 -4.005 1.00 0.00 C ATOM 789 O GLY A 48 0.742 0.458 -3.773 1.00 0.00 O ATOM 0 H GLY A 48 2.457 0.914 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.348 3.387 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.318 2.648 -5.888 1.00 0.00 H new ATOM 793 N PRO A 49 -0.654 2.158 -3.304 1.00 0.00 N ATOM 794 CA PRO A 49 -1.468 1.388 -2.376 1.00 0.00 C ATOM 795 C PRO A 49 -2.392 0.441 -3.148 1.00 0.00 C ATOM 796 O PRO A 49 -2.775 0.722 -4.285 1.00 0.00 O ATOM 797 CB PRO A 49 -2.226 2.425 -1.542 1.00 0.00 C ATOM 798 CG PRO A 49 -2.337 3.631 -2.473 1.00 0.00 C ATOM 799 CD PRO A 49 -1.079 3.549 -3.342 1.00 0.00 C ATOM 0 HA PRO A 49 -0.879 0.745 -1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.208 2.058 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.688 2.674 -0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.243 3.586 -3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.374 4.565 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.290 3.865 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.298 4.206 -2.960 1.00 0.00 H new ATOM 807 N GLU A 50 -2.783 -0.671 -2.522 1.00 0.00 N ATOM 808 CA GLU A 50 -3.531 -1.748 -3.172 1.00 0.00 C ATOM 809 C GLU A 50 -4.823 -1.228 -3.812 1.00 0.00 C ATOM 810 O GLU A 50 -5.129 -1.581 -4.949 1.00 0.00 O ATOM 811 CB GLU A 50 -3.815 -2.850 -2.139 1.00 0.00 C ATOM 812 CG GLU A 50 -4.411 -4.116 -2.770 1.00 0.00 C ATOM 813 CD GLU A 50 -4.709 -5.186 -1.704 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.811 -5.988 -1.363 1.00 0.00 O ATOM 815 OE2 GLU A 50 -5.855 -5.244 -1.200 1.00 0.00 O ATOM 0 H GLU A 50 -2.586 -0.851 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.932 -2.163 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.889 -3.107 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.503 -2.467 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.329 -3.863 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.717 -4.518 -3.508 1.00 0.00 H new ATOM 822 N ASN A 51 -5.553 -0.345 -3.122 1.00 0.00 N ATOM 823 CA ASN A 51 -6.797 0.223 -3.645 1.00 0.00 C ATOM 824 C ASN A 51 -6.555 1.033 -4.918 1.00 0.00 C ATOM 825 O ASN A 51 -7.335 0.931 -5.864 1.00 0.00 O ATOM 826 CB ASN A 51 -7.473 1.106 -2.586 1.00 0.00 C ATOM 827 CG ASN A 51 -8.701 1.807 -3.167 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.655 2.988 -3.497 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.811 1.103 -3.314 1.00 0.00 N ATOM 0 H ASN A 51 -5.300 -0.007 -2.193 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.456 -0.609 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.767 0.496 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.764 1.849 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.644 1.541 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.834 0.122 -3.035 1.00 0.00 H new ATOM 836 N ALA A 52 -5.476 1.819 -4.966 1.00 0.00 N ATOM 837 CA ALA A 52 -5.138 2.626 -6.133 1.00 0.00 C ATOM 838 C ALA A 52 -4.755 1.717 -7.299 1.00 0.00 C ATOM 839 O ALA A 52 -5.232 1.916 -8.418 1.00 0.00 O ATOM 840 CB ALA A 52 -3.981 3.568 -5.781 1.00 0.00 C ATOM 0 H ALA A 52 -4.815 1.911 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.001 3.222 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.726 4.172 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.280 4.221 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.113 2.981 -5.480 1.00 0.00 H new ATOM 846 N LEU A 53 -3.928 0.703 -7.028 1.00 0.00 N ATOM 847 CA LEU A 53 -3.465 -0.255 -8.023 1.00 0.00 C ATOM 848 C LEU A 53 -4.654 -1.009 -8.621 1.00 0.00 C ATOM 849 O LEU A 53 -4.758 -1.135 -9.839 1.00 0.00 O ATOM 850 CB LEU A 53 -2.446 -1.220 -7.383 1.00 0.00 C ATOM 851 CG LEU A 53 -1.121 -0.564 -6.936 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.346 -1.550 -6.063 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.213 -0.133 -8.090 1.00 0.00 C ATOM 0 H LEU A 53 -3.558 0.526 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.966 0.274 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.910 -1.694 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.220 -2.012 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.399 0.340 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.591 -1.094 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.942 -1.807 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.134 -2.453 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.695 0.318 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.049 -1.003 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.735 0.594 -8.712 1.00 0.00 H new ATOM 865 N GLN A 54 -5.583 -1.471 -7.784 1.00 0.00 N ATOM 866 CA GLN A 54 -6.762 -2.195 -8.236 1.00 0.00 C ATOM 867 C GLN A 54 -7.740 -1.288 -8.984 1.00 0.00 C ATOM 868 O GLN A 54 -8.278 -1.697 -10.011 1.00 0.00 O ATOM 869 CB GLN A 54 -7.440 -2.903 -7.050 1.00 0.00 C ATOM 870 CG GLN A 54 -6.648 -4.140 -6.586 1.00 0.00 C ATOM 871 CD GLN A 54 -6.600 -5.237 -7.657 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.626 -5.663 -8.184 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.422 -5.711 -8.024 1.00 0.00 N ATOM 0 H GLN A 54 -5.535 -1.351 -6.772 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.437 -2.953 -8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.540 -2.204 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.448 -3.204 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.632 -3.842 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.102 -4.540 -5.679 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.571 -5.357 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.364 -6.430 -8.745 1.00 0.00 H new ATOM 882 N SER A 55 -7.940 -0.051 -8.529 1.00 0.00 N ATOM 883 CA SER A 55 -8.794 0.906 -9.232 1.00 0.00 C ATOM 884 C SER A 55 -8.240 1.178 -10.635 1.00 0.00 C ATOM 885 O SER A 55 -8.991 1.206 -11.611 1.00 0.00 O ATOM 886 CB SER A 55 -8.912 2.207 -8.432 1.00 0.00 C ATOM 887 OG SER A 55 -9.442 1.977 -7.140 1.00 0.00 O ATOM 0 H SER A 55 -7.520 0.313 -7.673 1.00 0.00 H new ATOM 0 HA SER A 55 -9.791 0.478 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.930 2.672 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.551 2.908 -8.969 1.00 0.00 H new ATOM 0 HG SER A 55 -8.838 1.390 -6.638 1.00 0.00 H new ATOM 893 N PHE A 56 -6.916 1.322 -10.750 1.00 0.00 N ATOM 894 CA PHE A 56 -6.242 1.432 -12.029 1.00 0.00 C ATOM 895 C PHE A 56 -6.504 0.189 -12.884 1.00 0.00 C ATOM 896 O PHE A 56 -6.867 0.348 -14.045 1.00 0.00 O ATOM 897 CB PHE A 56 -4.749 1.680 -11.794 1.00 0.00 C ATOM 898 CG PHE A 56 -3.909 1.611 -13.049 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.535 0.358 -13.576 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.489 2.792 -13.685 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.777 0.286 -14.751 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.696 2.711 -14.839 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.358 1.463 -15.381 1.00 0.00 C ATOM 0 H PHE A 56 -6.286 1.365 -9.949 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.638 2.280 -12.587 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.622 2.662 -11.338 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.377 0.946 -11.080 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.834 -0.549 -13.072 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.775 3.755 -13.288 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.517 -0.675 -15.170 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.344 3.615 -15.313 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.773 1.410 -16.287 1.00 0.00 H new ATOM 913 N VAL A 57 -6.368 -1.031 -12.344 1.00 0.00 N ATOM 914 CA VAL A 57 -6.632 -2.253 -13.108 1.00 0.00 C ATOM 915 C VAL A 57 -8.048 -2.198 -13.693 1.00 0.00 C ATOM 916 O VAL A 57 -8.215 -2.455 -14.886 1.00 0.00 O ATOM 917 CB VAL A 57 -6.392 -3.508 -12.233 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.950 -4.803 -12.847 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.895 -3.734 -11.978 1.00 0.00 C ATOM 0 H VAL A 57 -6.076 -1.195 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.935 -2.324 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.924 -3.300 -11.305 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.745 -5.640 -12.179 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.027 -4.705 -12.986 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.474 -4.983 -13.811 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.761 -4.622 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.381 -3.872 -12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.479 -2.868 -11.463 1.00 0.00 H new ATOM 929 N GLU A 58 -9.054 -1.809 -12.900 1.00 0.00 N ATOM 930 CA GLU A 58 -10.424 -1.684 -13.387 1.00 0.00 C ATOM 931 C GLU A 58 -10.520 -0.632 -14.494 1.00 0.00 C ATOM 932 O GLU A 58 -11.223 -0.847 -15.480 1.00 0.00 O ATOM 933 CB GLU A 58 -11.393 -1.349 -12.243 1.00 0.00 C ATOM 934 CG GLU A 58 -11.507 -2.492 -11.228 1.00 0.00 C ATOM 935 CD GLU A 58 -12.590 -2.205 -10.172 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.300 -1.544 -9.149 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.746 -2.655 -10.346 1.00 0.00 O ATOM 0 H GLU A 58 -8.939 -1.575 -11.914 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.713 -2.649 -13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.054 -0.446 -11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.378 -1.132 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.743 -3.420 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.546 -2.639 -10.734 1.00 0.00 H new ATOM 944 N ALA A 59 -9.794 0.478 -14.361 1.00 0.00 N ATOM 945 CA ALA A 59 -9.785 1.554 -15.344 1.00 0.00 C ATOM 946 C ALA A 59 -9.239 1.073 -16.697 1.00 0.00 C ATOM 947 O ALA A 59 -9.863 1.333 -17.729 1.00 0.00 O ATOM 948 CB ALA A 59 -8.988 2.750 -14.807 1.00 0.00 C ATOM 0 H ALA A 59 -9.190 0.654 -13.558 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.813 1.876 -15.514 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.987 3.549 -15.548 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.448 3.110 -13.887 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.962 2.442 -14.604 1.00 0.00 H new ATOM 954 N VAL A 60 -8.113 0.346 -16.711 1.00 0.00 N ATOM 955 CA VAL A 60 -7.572 -0.210 -17.958 1.00 0.00 C ATOM 956 C VAL A 60 -8.558 -1.256 -18.496 1.00 0.00 C ATOM 957 O VAL A 60 -8.924 -1.206 -19.670 1.00 0.00 O ATOM 958 CB VAL A 60 -6.163 -0.825 -17.774 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.499 -1.037 -19.144 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.214 0.036 -16.934 1.00 0.00 C ATOM 0 H VAL A 60 -7.563 0.131 -15.879 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.455 0.603 -18.675 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.325 -1.765 -17.246 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.508 -1.470 -19.005 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.109 -1.712 -19.744 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.408 -0.079 -19.656 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.248 -0.462 -16.851 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.082 1.006 -17.414 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.636 0.178 -15.939 1.00 0.00 H new ATOM 970 N LYS A 61 -9.026 -2.177 -17.642 1.00 0.00 N ATOM 971 CA LYS A 61 -9.886 -3.289 -18.048 1.00 0.00 C ATOM 972 C LYS A 61 -11.189 -2.789 -18.673 1.00 0.00 C ATOM 973 O LYS A 61 -11.644 -3.355 -19.667 1.00 0.00 O ATOM 974 CB LYS A 61 -10.142 -4.202 -16.838 1.00 0.00 C ATOM 975 CG LYS A 61 -10.882 -5.492 -17.221 1.00 0.00 C ATOM 976 CD LYS A 61 -10.985 -6.445 -16.023 1.00 0.00 C ATOM 977 CE LYS A 61 -11.721 -7.729 -16.434 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.861 -8.684 -15.307 1.00 0.00 N ATOM 0 H LYS A 61 -8.815 -2.168 -16.644 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.379 -3.869 -18.819 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.190 -4.458 -16.372 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.726 -3.659 -16.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.881 -5.248 -17.583 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.358 -5.986 -18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.988 -6.689 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.516 -5.958 -15.205 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.710 -7.472 -16.815 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.180 -8.210 -17.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.364 -9.534 -15.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.918 -8.951 -14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.400 -8.237 -14.538 1.00 0.00 H new ATOM 992 N ASN A 62 -11.776 -1.724 -18.121 1.00 0.00 N ATOM 993 CA ASN A 62 -12.988 -1.116 -18.660 1.00 0.00 C ATOM 994 C ASN A 62 -12.744 -0.478 -20.032 1.00 0.00 C ATOM 995 O ASN A 62 -13.687 -0.343 -20.812 1.00 0.00 O ATOM 996 CB ASN A 62 -13.534 -0.059 -17.691 1.00 0.00 C ATOM 997 CG ASN A 62 -14.863 0.505 -18.192 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.858 -0.211 -18.278 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.919 1.782 -18.525 1.00 0.00 N ATOM 0 H ASN A 62 -11.420 -1.260 -17.285 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.722 -1.913 -18.782 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.671 -0.501 -16.704 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.810 0.748 -17.581 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.795 2.184 -18.858 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.086 2.366 -18.449 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.500 -0.088 -20.342 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.170 0.608 -21.576 1.00 0.00 C ATOM 1008 C GLY A 63 -11.944 1.921 -21.691 1.00 0.00 C ATOM 1009 O GLY A 63 -12.531 2.196 -22.736 1.00 0.00 O ATOM 0 H GLY A 63 -10.696 -0.251 -19.736 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.099 0.809 -21.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.400 -0.030 -22.430 1.00 0.00 H new ATOM 1013 N SER A 64 -12.014 2.685 -20.595 1.00 0.00 N ATOM 1014 CA SER A 64 -12.778 3.925 -20.511 1.00 0.00 C ATOM 1015 C SER A 64 -12.424 4.956 -21.609 1.00 0.00 C ATOM 1016 O SER A 64 -13.359 5.491 -22.212 1.00 0.00 O ATOM 1017 CB SER A 64 -12.633 4.519 -19.100 1.00 0.00 C ATOM 1018 OG SER A 64 -12.681 3.496 -18.114 1.00 0.00 O ATOM 0 H SER A 64 -11.531 2.450 -19.728 1.00 0.00 H new ATOM 0 HA SER A 64 -13.823 3.675 -20.696 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.690 5.060 -19.024 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.430 5.241 -18.921 1.00 0.00 H new ATOM 0 HG SER A 64 -12.586 3.895 -17.224 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.139 5.268 -21.896 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.777 6.255 -22.914 1.00 0.00 C ATOM 1026 C PRO A 65 -10.781 5.643 -24.329 1.00 0.00 C ATOM 1027 O PRO A 65 -11.233 4.519 -24.554 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.397 6.764 -22.476 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.755 5.530 -21.858 1.00 0.00 C ATOM 1030 CD PRO A 65 -9.933 4.794 -21.220 1.00 0.00 C ATOM 0 HA PRO A 65 -11.495 7.073 -22.984 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.819 7.139 -23.320 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.477 7.580 -21.757 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.259 4.917 -22.610 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.001 5.798 -21.118 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.824 3.716 -21.334 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.983 4.998 -20.150 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.250 6.393 -25.296 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.066 6.017 -26.702 1.00 0.00 C ATOM 1040 C PHE A 66 -9.148 4.801 -26.943 1.00 0.00 C ATOM 1041 O PHE A 66 -9.016 4.374 -28.093 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.575 7.255 -27.481 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.650 8.204 -26.724 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.480 7.732 -26.093 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -9.006 9.562 -26.593 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.701 8.606 -25.312 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -8.210 10.436 -25.834 1.00 0.00 C ATOM 1048 CZ PHE A 66 -7.060 9.958 -25.186 1.00 0.00 C ATOM 0 H PHE A 66 -9.916 7.338 -25.108 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.037 5.684 -27.068 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.056 6.913 -28.377 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.447 7.819 -27.813 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.182 6.700 -26.209 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.896 9.933 -27.079 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.822 8.235 -24.806 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.483 11.477 -25.749 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.454 10.627 -24.593 1.00 0.00 H new ATOM 1058 N SER A 67 -8.547 4.217 -25.905 1.00 0.00 N ATOM 1059 CA SER A 67 -7.691 3.038 -25.978 1.00 0.00 C ATOM 1060 C SER A 67 -8.189 2.035 -24.935 1.00 0.00 C ATOM 1061 O SER A 67 -8.696 2.432 -23.879 1.00 0.00 O ATOM 1062 CB SER A 67 -6.237 3.453 -25.740 1.00 0.00 C ATOM 1063 OG SER A 67 -5.787 4.307 -26.784 1.00 0.00 O ATOM 0 H SER A 67 -8.649 4.569 -24.953 1.00 0.00 H new ATOM 0 HA SER A 67 -7.733 2.568 -26.961 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.151 3.964 -24.781 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.604 2.568 -25.688 1.00 0.00 H new ATOM 0 HG SER A 67 -4.857 4.565 -26.617 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.129 0.741 -25.259 1.00 0.00 N ATOM 1070 CA LYS A 68 -8.887 -0.300 -24.563 1.00 0.00 C ATOM 1071 C LYS A 68 -8.235 -1.665 -24.736 1.00 0.00 C ATOM 1072 O LYS A 68 -7.406 -1.849 -25.629 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.368 -0.281 -25.007 1.00 0.00 C ATOM 1074 CG LYS A 68 -10.674 -0.281 -26.516 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.331 -1.589 -27.251 1.00 0.00 C ATOM 1076 CE LYS A 68 -10.918 -1.634 -28.673 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.397 -1.788 -28.689 1.00 0.00 N ATOM 0 H LYS A 68 -7.548 0.384 -26.018 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.873 -0.089 -23.494 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.859 -1.149 -24.568 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.835 0.603 -24.572 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.734 -0.071 -26.656 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.123 0.535 -26.983 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.248 -1.699 -27.304 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.710 -2.435 -26.677 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.648 -0.719 -29.200 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.467 -2.462 -29.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.719 -1.948 -29.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.668 -2.600 -28.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.840 -0.924 -28.315 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.635 -2.629 -23.912 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.082 -3.979 -23.922 1.00 0.00 C ATOM 1093 C VAL A 69 -9.081 -4.961 -24.536 1.00 0.00 C ATOM 1094 O VAL A 69 -10.292 -4.725 -24.533 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.654 -4.407 -22.502 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.602 -3.446 -21.939 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.808 -4.506 -21.494 1.00 0.00 C ATOM 0 H VAL A 69 -9.362 -2.492 -23.210 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.187 -3.986 -24.545 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.245 -5.410 -22.626 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.315 -3.767 -20.938 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.725 -3.447 -22.586 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.017 -2.439 -21.892 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.418 -4.812 -20.523 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.293 -3.535 -21.400 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.533 -5.242 -21.842 1.00 0.00 H new ATOM 1107 N THR A 70 -8.561 -6.092 -24.999 1.00 0.00 N ATOM 1108 CA THR A 70 -9.298 -7.313 -25.295 1.00 0.00 C ATOM 1109 C THR A 70 -8.712 -8.487 -24.485 1.00 0.00 C ATOM 1110 O THR A 70 -9.354 -9.535 -24.385 1.00 0.00 O ATOM 1111 CB THR A 70 -9.296 -7.566 -26.817 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.987 -7.497 -27.354 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.145 -6.528 -27.563 1.00 0.00 C ATOM 0 H THR A 70 -7.563 -6.186 -25.187 1.00 0.00 H new ATOM 0 HA THR A 70 -10.340 -7.211 -24.992 1.00 0.00 H new ATOM 0 HB THR A 70 -9.711 -8.565 -26.953 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.020 -7.663 -28.319 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.120 -6.738 -28.632 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.174 -6.577 -27.208 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.745 -5.531 -27.380 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.538 -8.318 -23.857 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.933 -9.276 -22.934 1.00 0.00 C ATOM 1123 C ASP A 71 -6.099 -8.514 -21.901 1.00 0.00 C ATOM 1124 O ASP A 71 -5.521 -7.470 -22.218 1.00 0.00 O ATOM 1125 CB ASP A 71 -6.041 -10.261 -23.701 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.335 -11.235 -22.744 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -6.032 -12.017 -22.060 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -4.086 -11.231 -22.683 1.00 0.00 O ATOM 0 H ASP A 71 -6.969 -7.481 -23.986 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.718 -9.840 -22.430 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.644 -10.822 -24.415 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.297 -9.710 -24.276 1.00 0.00 H new ATOM 1133 N ILE A 72 -6.039 -9.026 -20.671 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.321 -8.430 -19.552 1.00 0.00 C ATOM 1135 C ILE A 72 -4.813 -9.560 -18.649 1.00 0.00 C ATOM 1136 O ILE A 72 -5.507 -10.563 -18.451 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.232 -7.408 -18.815 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.500 -6.798 -17.596 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.603 -7.980 -18.397 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.124 -5.495 -17.075 1.00 0.00 C ATOM 0 H ILE A 72 -6.507 -9.898 -20.422 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.455 -7.863 -19.894 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.444 -6.622 -19.540 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.489 -7.531 -16.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.462 -6.607 -17.868 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.180 -7.207 -17.889 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.144 -8.313 -19.283 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.455 -8.824 -17.723 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.552 -5.134 -16.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.110 -4.744 -17.865 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.153 -5.681 -16.769 1.00 0.00 H new ATOM 1152 N SER A 73 -3.622 -9.378 -18.081 1.00 0.00 N ATOM 1153 CA SER A 73 -3.017 -10.227 -17.063 1.00 0.00 C ATOM 1154 C SER A 73 -2.400 -9.303 -16.011 1.00 0.00 C ATOM 1155 O SER A 73 -1.891 -8.233 -16.356 1.00 0.00 O ATOM 1156 CB SER A 73 -1.940 -11.119 -17.699 1.00 0.00 C ATOM 1157 OG SER A 73 -2.471 -11.933 -18.734 1.00 0.00 O ATOM 0 H SER A 73 -3.024 -8.592 -18.334 1.00 0.00 H new ATOM 0 HA SER A 73 -3.760 -10.880 -16.605 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.142 -10.494 -18.101 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.493 -11.752 -16.932 1.00 0.00 H new ATOM 0 HG SER A 73 -1.756 -12.485 -19.115 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.455 -9.702 -14.738 1.00 0.00 N ATOM 1164 CA VAL A 74 -2.072 -8.870 -13.602 1.00 0.00 C ATOM 1165 C VAL A 74 -1.316 -9.748 -12.600 1.00 0.00 C ATOM 1166 O VAL A 74 -1.701 -10.893 -12.346 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.331 -8.235 -12.957 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.971 -7.261 -11.823 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.212 -7.494 -13.978 1.00 0.00 C ATOM 0 H VAL A 74 -2.774 -10.632 -14.466 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.426 -8.054 -13.926 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.895 -9.075 -12.550 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.884 -6.841 -11.401 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.424 -7.794 -11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.350 -6.457 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.078 -7.070 -13.471 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.636 -6.694 -14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.547 -8.193 -14.745 1.00 0.00 H new ATOM 1179 N THR A 75 -0.266 -9.184 -12.014 1.00 0.00 N ATOM 1180 CA THR A 75 0.477 -9.693 -10.870 1.00 0.00 C ATOM 1181 C THR A 75 0.633 -8.503 -9.910 1.00 0.00 C ATOM 1182 O THR A 75 0.566 -7.346 -10.339 1.00 0.00 O ATOM 1183 CB THR A 75 1.833 -10.255 -11.357 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.656 -11.145 -12.447 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.601 -11.015 -10.269 1.00 0.00 C ATOM 0 H THR A 75 0.113 -8.299 -12.350 1.00 0.00 H new ATOM 0 HA THR A 75 -0.027 -10.512 -10.357 1.00 0.00 H new ATOM 0 HB THR A 75 2.410 -9.379 -11.652 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.528 -11.485 -12.737 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.542 -11.382 -10.677 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.805 -10.346 -9.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.003 -11.857 -9.922 1.00 0.00 H new ATOM 1193 N GLU A 76 0.852 -8.753 -8.619 1.00 0.00 N ATOM 1194 CA GLU A 76 1.139 -7.709 -7.644 1.00 0.00 C ATOM 1195 C GLU A 76 2.330 -8.164 -6.809 1.00 0.00 C ATOM 1196 O GLU A 76 2.444 -9.344 -6.463 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.088 -7.408 -6.767 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.232 -6.758 -7.564 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.432 -6.378 -6.678 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -2.918 -7.226 -5.896 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -2.945 -5.244 -6.819 1.00 0.00 O ATOM 0 H GLU A 76 0.834 -9.692 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 76 1.382 -6.777 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.444 -8.334 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.205 -6.747 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.859 -5.865 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.563 -7.445 -8.342 1.00 0.00 H new ATOM 1208 N SER A 77 3.189 -7.211 -6.461 1.00 0.00 N ATOM 1209 CA SER A 77 4.498 -7.423 -5.853 1.00 0.00 C ATOM 1210 C SER A 77 4.646 -6.392 -4.737 1.00 0.00 C ATOM 1211 O SER A 77 3.992 -5.352 -4.779 1.00 0.00 O ATOM 1212 CB SER A 77 5.588 -7.247 -6.923 1.00 0.00 C ATOM 1213 OG SER A 77 5.333 -8.064 -8.057 1.00 0.00 O ATOM 0 H SER A 77 2.981 -6.222 -6.602 1.00 0.00 H new ATOM 0 HA SER A 77 4.596 -8.428 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.636 -6.202 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.560 -7.501 -6.500 1.00 0.00 H new ATOM 0 HG SER A 77 6.041 -7.931 -8.722 1.00 0.00 H new ATOM 1219 N ARG A 78 5.442 -6.662 -3.701 1.00 0.00 N ATOM 1220 CA ARG A 78 5.528 -5.727 -2.570 1.00 0.00 C ATOM 1221 C ARG A 78 6.596 -4.659 -2.816 1.00 0.00 C ATOM 1222 O ARG A 78 6.518 -3.576 -2.240 1.00 0.00 O ATOM 1223 CB ARG A 78 5.758 -6.462 -1.233 1.00 0.00 C ATOM 1224 CG ARG A 78 5.032 -7.811 -1.067 1.00 0.00 C ATOM 1225 CD ARG A 78 3.506 -7.725 -1.212 1.00 0.00 C ATOM 1226 NE ARG A 78 2.909 -9.072 -1.321 1.00 0.00 N ATOM 1227 CZ ARG A 78 2.505 -9.676 -2.449 1.00 0.00 C ATOM 1228 NH1 ARG A 78 2.447 -9.002 -3.595 1.00 0.00 N ATOM 1229 NH2 ARG A 78 2.165 -10.960 -2.426 1.00 0.00 N ATOM 0 H ARG A 78 6.023 -7.496 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 78 4.566 -5.221 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.828 -6.632 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.448 -5.803 -0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.417 -8.512 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.270 -8.221 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.084 -7.205 -0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.253 -7.138 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 78 2.792 -9.595 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.711 -8.017 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.139 -9.470 -4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.211 -11.484 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.858 -11.422 -3.282 1.00 0.00 H new ATOM 1243 N SER A 79 7.587 -4.957 -3.658 1.00 0.00 N ATOM 1244 CA SER A 79 8.717 -4.089 -3.951 1.00 0.00 C ATOM 1245 C SER A 79 8.253 -2.786 -4.609 1.00 0.00 C ATOM 1246 O SER A 79 7.735 -2.798 -5.725 1.00 0.00 O ATOM 1247 CB SER A 79 9.698 -4.846 -4.858 1.00 0.00 C ATOM 1248 OG SER A 79 9.947 -6.151 -4.348 1.00 0.00 O ATOM 0 H SER A 79 7.621 -5.839 -4.169 1.00 0.00 H new ATOM 0 HA SER A 79 9.217 -3.818 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.290 -4.916 -5.866 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.635 -4.293 -4.931 1.00 0.00 H new ATOM 0 HG SER A 79 10.573 -6.619 -4.939 1.00 0.00 H new ATOM 1254 N LEU A 80 8.443 -1.660 -3.918 1.00 0.00 N ATOM 1255 CA LEU A 80 8.365 -0.315 -4.493 1.00 0.00 C ATOM 1256 C LEU A 80 9.522 -0.079 -5.480 1.00 0.00 C ATOM 1257 O LEU A 80 10.416 -0.917 -5.620 1.00 0.00 O ATOM 1258 CB LEU A 80 8.397 0.749 -3.376 1.00 0.00 C ATOM 1259 CG LEU A 80 7.462 0.486 -2.182 1.00 0.00 C ATOM 1260 CD1 LEU A 80 7.469 1.690 -1.234 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.025 0.176 -2.605 1.00 0.00 C ATOM 0 H LEU A 80 8.660 -1.658 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 80 7.423 -0.229 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.418 0.829 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.139 1.715 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 80 7.846 -0.398 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.804 1.494 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.481 1.857 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.126 2.576 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.415 -0.000 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.620 1.020 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.015 -0.713 -3.235 1.00 0.00 H new ATOM 1273 N GLU A 81 9.549 1.095 -6.119 1.00 0.00 N ATOM 1274 CA GLU A 81 10.559 1.490 -7.104 1.00 0.00 C ATOM 1275 C GLU A 81 11.202 2.842 -6.747 1.00 0.00 C ATOM 1276 O GLU A 81 12.057 3.330 -7.490 1.00 0.00 O ATOM 1277 CB GLU A 81 9.912 1.555 -8.499 1.00 0.00 C ATOM 1278 CG GLU A 81 9.352 0.216 -8.995 1.00 0.00 C ATOM 1279 CD GLU A 81 10.419 -0.896 -9.133 1.00 0.00 C ATOM 1280 OE1 GLU A 81 11.607 -0.603 -9.401 1.00 0.00 O ATOM 1281 OE2 GLU A 81 10.060 -2.089 -9.012 1.00 0.00 O ATOM 0 H GLU A 81 8.847 1.818 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 81 11.353 0.743 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.106 2.288 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.652 1.914 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.577 -0.121 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.873 0.369 -9.962 1.00 0.00 H new ATOM 1288 N GLY A 82 10.795 3.470 -5.638 1.00 0.00 N ATOM 1289 CA GLY A 82 11.214 4.816 -5.266 1.00 0.00 C ATOM 1290 C GLY A 82 10.804 5.848 -6.321 1.00 0.00 C ATOM 1291 O GLY A 82 11.504 6.848 -6.501 1.00 0.00 O ATOM 0 H GLY A 82 10.155 3.046 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.773 5.082 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.296 4.838 -5.137 1.00 0.00 H new ATOM 1295 N HIS A 83 9.721 5.589 -7.062 1.00 0.00 N ATOM 1296 CA HIS A 83 9.254 6.450 -8.142 1.00 0.00 C ATOM 1297 C HIS A 83 8.189 7.414 -7.613 1.00 0.00 C ATOM 1298 O HIS A 83 7.432 7.080 -6.699 1.00 0.00 O ATOM 1299 CB HIS A 83 8.716 5.593 -9.302 1.00 0.00 C ATOM 1300 CG HIS A 83 9.797 5.125 -10.247 1.00 0.00 C ATOM 1301 ND1 HIS A 83 11.006 4.549 -9.915 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.783 5.263 -11.611 1.00 0.00 C ATOM 1303 CE1 HIS A 83 11.696 4.346 -11.048 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.993 4.769 -12.115 1.00 0.00 N ATOM 0 H HIS A 83 9.140 4.763 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 83 10.085 7.043 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.198 4.725 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.979 6.170 -9.860 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.321 4.318 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.977 5.681 -12.196 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.680 3.904 -11.097 1.00 0.00 H new ATOM 1312 N HIS A 84 8.113 8.598 -8.233 1.00 0.00 N ATOM 1313 CA HIS A 84 7.210 9.685 -7.845 1.00 0.00 C ATOM 1314 C HIS A 84 6.564 10.352 -9.076 1.00 0.00 C ATOM 1315 O HIS A 84 6.007 11.447 -8.970 1.00 0.00 O ATOM 1316 CB HIS A 84 7.983 10.702 -6.982 1.00 0.00 C ATOM 1317 CG HIS A 84 8.549 10.123 -5.706 1.00 0.00 C ATOM 1318 ND1 HIS A 84 7.858 9.889 -4.536 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.842 9.724 -5.494 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.712 9.359 -3.645 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.943 9.240 -4.181 1.00 0.00 N ATOM 0 H HIS A 84 8.693 8.831 -9.039 1.00 0.00 H new ATOM 0 HA HIS A 84 6.391 9.274 -7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.799 11.118 -7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.318 11.528 -6.730 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.646 9.773 -6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.449 9.068 -2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.778 8.873 -3.725 1.00 0.00 H new ATOM 1329 N ARG A 85 6.634 9.713 -10.251 1.00 0.00 N ATOM 1330 CA ARG A 85 6.032 10.179 -11.501 1.00 0.00 C ATOM 1331 C ARG A 85 5.630 8.969 -12.339 1.00 0.00 C ATOM 1332 O ARG A 85 6.072 7.851 -12.055 1.00 0.00 O ATOM 1333 CB ARG A 85 7.014 11.094 -12.264 1.00 0.00 C ATOM 1334 CG ARG A 85 8.314 10.394 -12.711 1.00 0.00 C ATOM 1335 CD ARG A 85 9.226 11.313 -13.535 1.00 0.00 C ATOM 1336 NE ARG A 85 9.749 12.441 -12.739 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.368 13.725 -12.810 1.00 0.00 C ATOM 1338 NH1 ARG A 85 8.419 14.112 -13.660 1.00 0.00 N ATOM 1339 NH2 ARG A 85 9.943 14.623 -12.017 1.00 0.00 N ATOM 0 H ARG A 85 7.129 8.827 -10.358 1.00 0.00 H new ATOM 0 HA ARG A 85 5.141 10.769 -11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.510 11.496 -13.143 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.271 11.942 -11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.855 10.045 -11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.063 9.513 -13.302 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.060 10.734 -13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.672 11.700 -14.390 1.00 0.00 H new ATOM 0 HE ARG A 85 10.479 12.220 -12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.970 13.428 -14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.141 15.092 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.668 14.334 -11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.659 15.602 -12.065 1.00 0.00 H new ATOM 1353 N PHE A 86 4.829 9.187 -13.377 1.00 0.00 N ATOM 1354 CA PHE A 86 4.646 8.208 -14.440 1.00 0.00 C ATOM 1355 C PHE A 86 5.719 8.428 -15.516 1.00 0.00 C ATOM 1356 O PHE A 86 6.204 9.552 -15.686 1.00 0.00 O ATOM 1357 CB PHE A 86 3.230 8.319 -15.021 1.00 0.00 C ATOM 1358 CG PHE A 86 2.825 9.703 -15.507 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.256 10.176 -16.763 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.000 10.516 -14.703 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.882 11.458 -17.204 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.638 11.802 -15.141 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.077 12.274 -16.391 1.00 0.00 C ATOM 0 H PHE A 86 4.291 10.044 -13.504 1.00 0.00 H new ATOM 0 HA PHE A 86 4.758 7.199 -14.043 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.143 7.621 -15.854 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.518 7.998 -14.260 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.876 9.551 -17.389 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.646 10.151 -13.750 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.214 11.815 -18.168 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.021 12.430 -14.515 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.796 13.262 -16.725 1.00 0.00 H new ATOM 1373 N SER A 87 6.030 7.380 -16.282 1.00 0.00 N ATOM 1374 CA SER A 87 7.006 7.407 -17.369 1.00 0.00 C ATOM 1375 C SER A 87 6.534 6.538 -18.542 1.00 0.00 C ATOM 1376 O SER A 87 5.745 5.600 -18.372 1.00 0.00 O ATOM 1377 CB SER A 87 8.365 6.914 -16.843 1.00 0.00 C ATOM 1378 OG SER A 87 8.816 7.682 -15.736 1.00 0.00 O ATOM 0 H SER A 87 5.597 6.465 -16.158 1.00 0.00 H new ATOM 0 HA SER A 87 7.110 8.430 -17.732 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.282 5.868 -16.549 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.103 6.963 -17.643 1.00 0.00 H new ATOM 0 HG SER A 87 9.681 7.338 -15.429 1.00 0.00 H new ATOM 1384 N ILE A 88 7.034 6.821 -19.743 1.00 0.00 N ATOM 1385 CA ILE A 88 6.697 6.095 -20.961 1.00 0.00 C ATOM 1386 C ILE A 88 8.044 5.707 -21.577 1.00 0.00 C ATOM 1387 O ILE A 88 8.835 6.576 -21.950 1.00 0.00 O ATOM 1388 CB ILE A 88 5.790 6.947 -21.890 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.527 7.468 -21.154 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.376 6.092 -23.096 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.541 8.276 -22.012 1.00 0.00 C ATOM 0 H ILE A 88 7.699 7.579 -19.898 1.00 0.00 H new ATOM 0 HA ILE A 88 6.103 5.200 -20.775 1.00 0.00 H new ATOM 0 HB ILE A 88 6.356 7.820 -22.215 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.997 6.614 -20.732 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.847 8.090 -20.318 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.738 6.679 -23.757 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.266 5.774 -23.639 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.830 5.215 -22.750 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.697 8.590 -21.398 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.044 9.155 -22.414 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.181 7.657 -22.834 1.00 0.00 H new ATOM 1403 N VAL A 89 8.336 4.405 -21.605 1.00 0.00 N ATOM 1404 CA VAL A 89 9.620 3.868 -22.050 1.00 0.00 C ATOM 1405 C VAL A 89 9.748 4.112 -23.560 1.00 0.00 C ATOM 1406 O VAL A 89 8.775 3.926 -24.296 1.00 0.00 O ATOM 1407 CB VAL A 89 9.707 2.367 -21.676 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.058 1.749 -22.065 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.502 2.150 -20.165 1.00 0.00 C ATOM 0 H VAL A 89 7.675 3.684 -21.314 1.00 0.00 H new ATOM 0 HA VAL A 89 10.454 4.367 -21.556 1.00 0.00 H new ATOM 0 HB VAL A 89 8.911 1.877 -22.237 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.071 0.696 -21.783 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.202 1.838 -23.142 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.861 2.274 -21.547 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.569 1.086 -19.938 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.272 2.688 -19.612 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.520 2.522 -19.874 1.00 0.00 H new