USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 783 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 80 THR OG1 : rot -67:sc= 1.18 USER MOD Set 1.2: A 83 ASN : amide:sc= 1.41 K(o=2.6,f=-9.4!) USER MOD Set 2.1: A 32 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.3) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 20 GLN : amide:sc= -3.76! C(o=-2.9!,f=-12!) USER MOD Set 3.2: A 62 CYS SG : rot 86:sc= 0.887 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.247! USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.175) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.0209 (180deg=-0.266) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -6.01! C(o=-9!,f=-6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -11.7! C(o=-12!,f=-18!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.15 (180deg=-0.91) USER MOD Single : A 28 LYS NZ :NH3+ 132:sc= -0.0604 (180deg=-0.605) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.44 X(o=-2.4,f=-2.4) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 46 THR OG1 : rot -72:sc= 0.0871 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0863 F(o=-1.4,f=-0.086) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc=-0.00473 (180deg=-0.292) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.0813 (180deg=-0.845) USER MOD Single : A 85 GLN : amide:sc= -2.97! C(o=-3!,f=-5.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N THR A 4 -18.077 -13.823 -0.524 1.00 0.00 N ATOM 40 CA THR A 4 -17.712 -14.712 -1.668 1.00 0.00 C ATOM 41 C THR A 4 -17.044 -13.881 -2.767 1.00 0.00 C ATOM 42 O THR A 4 -16.277 -12.979 -2.495 1.00 0.00 O ATOM 43 CB THR A 4 -18.975 -15.374 -2.223 1.00 0.00 C ATOM 44 OG1 THR A 4 -18.632 -16.175 -3.346 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.978 -14.301 -2.648 1.00 0.00 C ATOM 0 HA THR A 4 -17.021 -15.482 -1.324 1.00 0.00 H new ATOM 0 HB THR A 4 -19.424 -15.999 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.439 -16.602 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.875 -14.778 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.242 -13.688 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.533 -13.672 -3.419 1.00 0.00 H new ATOM 53 N GLU A 5 -17.321 -14.181 -4.006 1.00 0.00 N ATOM 54 CA GLU A 5 -16.694 -13.412 -5.120 1.00 0.00 C ATOM 55 C GLU A 5 -17.442 -12.091 -5.332 1.00 0.00 C ATOM 56 O GLU A 5 -16.845 -11.063 -5.582 1.00 0.00 O ATOM 57 CB GLU A 5 -16.743 -14.243 -6.405 1.00 0.00 C ATOM 58 CG GLU A 5 -18.052 -15.032 -6.457 1.00 0.00 C ATOM 59 CD GLU A 5 -18.208 -15.672 -7.838 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.625 -14.976 -8.749 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.907 -16.848 -7.962 1.00 0.00 O ATOM 0 H GLU A 5 -17.955 -14.926 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.657 -13.195 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.665 -13.591 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.894 -14.925 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.056 -15.802 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.895 -14.372 -6.253 1.00 0.00 H new ATOM 68 N ILE A 6 -18.742 -12.108 -5.246 1.00 0.00 N ATOM 69 CA ILE A 6 -19.518 -10.856 -5.454 1.00 0.00 C ATOM 70 C ILE A 6 -19.156 -9.831 -4.377 1.00 0.00 C ATOM 71 O ILE A 6 -19.043 -8.654 -4.644 1.00 0.00 O ATOM 72 CB ILE A 6 -21.016 -11.176 -5.399 1.00 0.00 C ATOM 73 CG1 ILE A 6 -21.478 -11.268 -3.937 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.276 -12.511 -6.104 1.00 0.00 C ATOM 75 CD1 ILE A 6 -22.864 -11.918 -3.870 1.00 0.00 C ATOM 0 H ILE A 6 -19.301 -12.936 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.275 -10.434 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 6 -21.572 -10.383 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.764 -11.852 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -21.511 -10.273 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.341 -12.741 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.956 -12.442 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.716 -13.301 -5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -23.187 -11.981 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -23.576 -11.316 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -22.817 -12.920 -4.296 1.00 0.00 H new ATOM 87 N GLU A 7 -18.978 -10.265 -3.160 1.00 0.00 N ATOM 88 CA GLU A 7 -18.628 -9.305 -2.075 1.00 0.00 C ATOM 89 C GLU A 7 -17.371 -8.522 -2.464 1.00 0.00 C ATOM 90 O GLU A 7 -17.418 -7.329 -2.704 1.00 0.00 O ATOM 91 CB GLU A 7 -18.368 -10.076 -0.780 1.00 0.00 C ATOM 92 CG GLU A 7 -18.317 -9.098 0.396 1.00 0.00 C ATOM 93 CD GLU A 7 -19.736 -8.639 0.742 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.447 -9.402 1.374 1.00 0.00 O ATOM 95 OE2 GLU A 7 -20.086 -7.532 0.367 1.00 0.00 O ATOM 0 H GLU A 7 -19.059 -11.240 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.454 -8.609 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.154 -10.813 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.428 -10.623 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.857 -9.577 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.698 -8.238 0.141 1.00 0.00 H new ATOM 102 N LYS A 8 -16.245 -9.181 -2.521 1.00 0.00 N ATOM 103 CA LYS A 8 -14.981 -8.474 -2.885 1.00 0.00 C ATOM 104 C LYS A 8 -15.182 -7.673 -4.176 1.00 0.00 C ATOM 105 O LYS A 8 -14.679 -6.580 -4.313 1.00 0.00 O ATOM 106 CB LYS A 8 -13.837 -9.486 -3.076 1.00 0.00 C ATOM 107 CG LYS A 8 -14.402 -10.896 -3.267 1.00 0.00 C ATOM 108 CD LYS A 8 -13.321 -11.810 -3.854 1.00 0.00 C ATOM 109 CE LYS A 8 -12.027 -11.661 -3.048 1.00 0.00 C ATOM 110 NZ LYS A 8 -11.109 -12.790 -3.369 1.00 0.00 N ATOM 0 H LYS A 8 -16.145 -10.178 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.719 -7.793 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.236 -9.207 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.176 -9.466 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.748 -11.292 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.266 -10.865 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.657 -12.847 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.142 -11.554 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.548 -10.711 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.250 -11.651 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.651 -13.124 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.652 -13.568 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.383 -12.467 -4.040 1.00 0.00 H new ATOM 124 N LEU A 9 -15.896 -8.201 -5.130 1.00 0.00 N ATOM 125 CA LEU A 9 -16.092 -7.443 -6.401 1.00 0.00 C ATOM 126 C LEU A 9 -16.873 -6.151 -6.121 1.00 0.00 C ATOM 127 O LEU A 9 -16.518 -5.087 -6.591 1.00 0.00 O ATOM 128 CB LEU A 9 -16.870 -8.314 -7.402 1.00 0.00 C ATOM 129 CG LEU A 9 -15.904 -9.010 -8.376 1.00 0.00 C ATOM 130 CD1 LEU A 9 -15.340 -7.992 -9.378 1.00 0.00 C ATOM 131 CD2 LEU A 9 -14.750 -9.661 -7.597 1.00 0.00 C ATOM 0 H LEU A 9 -16.349 -9.114 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.120 -7.187 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.455 -9.061 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.575 -7.697 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.450 -9.781 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.657 -8.495 -10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.158 -7.546 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.803 -7.211 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.071 -10.151 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.209 -8.895 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.151 -10.399 -6.902 1.00 0.00 H new ATOM 143 N GLU A 10 -17.935 -6.237 -5.370 1.00 0.00 N ATOM 144 CA GLU A 10 -18.747 -5.021 -5.072 1.00 0.00 C ATOM 145 C GLU A 10 -17.872 -3.953 -4.403 1.00 0.00 C ATOM 146 O GLU A 10 -17.842 -2.810 -4.820 1.00 0.00 O ATOM 147 CB GLU A 10 -19.905 -5.405 -4.137 1.00 0.00 C ATOM 148 CG GLU A 10 -21.231 -4.881 -4.697 1.00 0.00 C ATOM 149 CD GLU A 10 -21.229 -3.350 -4.676 1.00 0.00 C ATOM 150 OE1 GLU A 10 -20.188 -2.776 -4.946 1.00 0.00 O ATOM 151 OE2 GLU A 10 -22.270 -2.781 -4.390 1.00 0.00 O ATOM 0 H GLU A 10 -18.278 -7.100 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.145 -4.615 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.950 -6.489 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.732 -4.992 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.374 -5.240 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.063 -5.262 -4.105 1.00 0.00 H new ATOM 158 N ILE A 11 -17.170 -4.303 -3.362 1.00 0.00 N ATOM 159 CA ILE A 11 -16.320 -3.289 -2.677 1.00 0.00 C ATOM 160 C ILE A 11 -15.088 -2.973 -3.530 1.00 0.00 C ATOM 161 O ILE A 11 -14.905 -1.862 -3.971 1.00 0.00 O ATOM 162 CB ILE A 11 -15.875 -3.819 -1.305 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.762 -5.350 -1.348 1.00 0.00 C ATOM 164 CG2 ILE A 11 -16.898 -3.413 -0.238 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.673 -5.816 -0.376 1.00 0.00 C ATOM 0 H ILE A 11 -17.147 -5.239 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.902 -2.378 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.903 -3.393 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.718 -5.802 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.524 -5.678 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.579 -3.790 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.971 -2.326 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.872 -3.833 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.596 -6.903 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.718 -5.376 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.929 -5.502 0.636 1.00 0.00 H new ATOM 177 N VAL A 12 -14.238 -3.936 -3.752 1.00 0.00 N ATOM 178 CA VAL A 12 -13.006 -3.688 -4.558 1.00 0.00 C ATOM 179 C VAL A 12 -13.298 -2.772 -5.750 1.00 0.00 C ATOM 180 O VAL A 12 -12.495 -1.929 -6.096 1.00 0.00 O ATOM 181 CB VAL A 12 -12.456 -5.019 -5.072 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.204 -4.762 -5.913 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.095 -5.917 -3.883 1.00 0.00 C ATOM 0 H VAL A 12 -14.343 -4.891 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.273 -3.199 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.212 -5.512 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.811 -5.710 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.459 -4.123 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.449 -4.269 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.703 -6.866 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.339 -5.424 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.986 -6.100 -3.282 1.00 0.00 H new ATOM 193 N LYS A 13 -14.412 -2.932 -6.403 1.00 0.00 N ATOM 194 CA LYS A 13 -14.693 -2.064 -7.581 1.00 0.00 C ATOM 195 C LYS A 13 -15.269 -0.700 -7.164 1.00 0.00 C ATOM 196 O LYS A 13 -14.967 0.310 -7.766 1.00 0.00 O ATOM 197 CB LYS A 13 -15.659 -2.778 -8.539 1.00 0.00 C ATOM 198 CG LYS A 13 -17.084 -2.785 -7.962 1.00 0.00 C ATOM 199 CD LYS A 13 -17.908 -1.644 -8.575 1.00 0.00 C ATOM 200 CE LYS A 13 -18.499 -2.098 -9.912 1.00 0.00 C ATOM 201 NZ LYS A 13 -19.633 -3.030 -9.662 1.00 0.00 N ATOM 0 H LYS A 13 -15.134 -3.617 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.747 -1.878 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.655 -2.278 -9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.323 -3.801 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.564 -3.742 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.046 -2.675 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.707 -1.352 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.279 -0.766 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.843 -1.235 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.734 -2.592 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.248 -3.061 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.263 -3.983 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.181 -2.698 -8.842 1.00 0.00 H new ATOM 215 N ASP A 14 -16.126 -0.658 -6.179 1.00 0.00 N ATOM 216 CA ASP A 14 -16.740 0.650 -5.782 1.00 0.00 C ATOM 217 C ASP A 14 -15.814 1.479 -4.875 1.00 0.00 C ATOM 218 O ASP A 14 -15.760 2.687 -4.979 1.00 0.00 O ATOM 219 CB ASP A 14 -18.050 0.377 -5.039 1.00 0.00 C ATOM 220 CG ASP A 14 -18.637 1.697 -4.534 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.121 2.218 -3.559 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.593 2.165 -5.131 1.00 0.00 O ATOM 0 H ASP A 14 -16.428 -1.465 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.915 1.225 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.760 -0.119 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.871 -0.298 -4.202 1.00 0.00 H new ATOM 227 N HIS A 15 -15.132 0.854 -3.958 1.00 0.00 N ATOM 228 CA HIS A 15 -14.263 1.618 -3.010 1.00 0.00 C ATOM 229 C HIS A 15 -12.988 2.153 -3.684 1.00 0.00 C ATOM 230 O HIS A 15 -12.524 3.229 -3.364 1.00 0.00 O ATOM 231 CB HIS A 15 -13.887 0.714 -1.829 1.00 0.00 C ATOM 232 CG HIS A 15 -12.652 -0.083 -2.155 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.299 -0.823 -3.254 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.583 -0.180 -1.273 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.034 -1.368 -3.062 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.646 -0.953 -1.854 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.136 -0.157 -3.820 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.829 2.482 -2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.713 1.319 -0.939 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.713 0.041 -1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.516 0.281 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.482 -1.995 -3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.752 -1.192 -1.425 1.00 0.00 H new ATOM 245 N LEU A 16 -12.391 1.408 -4.573 1.00 0.00 N ATOM 246 CA LEU A 16 -11.121 1.877 -5.215 1.00 0.00 C ATOM 247 C LEU A 16 -11.149 3.385 -5.490 1.00 0.00 C ATOM 248 O LEU A 16 -10.141 4.054 -5.385 1.00 0.00 O ATOM 249 CB LEU A 16 -10.871 1.122 -6.528 1.00 0.00 C ATOM 250 CG LEU A 16 -12.120 1.143 -7.425 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.276 2.508 -8.122 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.981 0.053 -8.494 1.00 0.00 C ATOM 0 H LEU A 16 -12.724 0.496 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.310 1.671 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.032 1.574 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.593 0.091 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.998 0.966 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.167 2.496 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.373 3.291 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.399 2.704 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.862 0.059 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.092 0.244 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.890 -0.920 -8.012 1.00 0.00 H new ATOM 264 N LEU A 17 -12.268 3.928 -5.875 1.00 0.00 N ATOM 265 CA LEU A 17 -12.303 5.387 -6.188 1.00 0.00 C ATOM 266 C LEU A 17 -12.228 6.229 -4.902 1.00 0.00 C ATOM 267 O LEU A 17 -11.262 6.931 -4.685 1.00 0.00 O ATOM 268 CB LEU A 17 -13.585 5.715 -6.973 1.00 0.00 C ATOM 269 CG LEU A 17 -13.269 5.818 -8.473 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.547 5.591 -9.283 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.710 7.210 -8.786 1.00 0.00 C ATOM 0 H LEU A 17 -13.153 3.433 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.435 5.635 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.334 4.941 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.010 6.654 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.531 5.061 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.321 5.664 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.945 4.600 -9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.286 6.346 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.486 7.281 -9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.447 7.967 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.798 7.373 -8.212 1.00 0.00 H new ATOM 283 N PRO A 18 -13.235 6.184 -4.065 1.00 0.00 N ATOM 284 CA PRO A 18 -13.262 6.987 -2.799 1.00 0.00 C ATOM 285 C PRO A 18 -12.233 6.529 -1.753 1.00 0.00 C ATOM 286 O PRO A 18 -11.530 7.329 -1.170 1.00 0.00 O ATOM 287 CB PRO A 18 -14.682 6.767 -2.267 1.00 0.00 C ATOM 288 CG PRO A 18 -15.096 5.451 -2.829 1.00 0.00 C ATOM 289 CD PRO A 18 -14.457 5.374 -4.213 1.00 0.00 C ATOM 0 HA PRO A 18 -13.007 8.029 -2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.699 6.755 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.353 7.564 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.758 4.631 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.182 5.377 -2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.227 4.346 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.115 5.775 -4.983 1.00 0.00 H new ATOM 297 N LYS A 19 -12.164 5.254 -1.491 1.00 0.00 N ATOM 298 CA LYS A 19 -11.208 4.747 -0.459 1.00 0.00 C ATOM 299 C LYS A 19 -9.835 5.419 -0.613 1.00 0.00 C ATOM 300 O LYS A 19 -9.278 5.930 0.338 1.00 0.00 O ATOM 301 CB LYS A 19 -11.058 3.226 -0.612 1.00 0.00 C ATOM 302 CG LYS A 19 -10.936 2.571 0.769 1.00 0.00 C ATOM 303 CD LYS A 19 -9.680 3.086 1.476 1.00 0.00 C ATOM 304 CE LYS A 19 -9.440 2.271 2.749 1.00 0.00 C ATOM 305 NZ LYS A 19 -8.401 2.943 3.580 1.00 0.00 N ATOM 0 H LYS A 19 -12.729 4.537 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.599 4.985 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.919 2.819 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.177 2.997 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.819 2.795 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.888 1.487 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.818 3.007 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.796 4.141 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.368 2.177 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.119 1.261 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.237 2.390 4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.515 3.011 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.725 3.898 3.836 1.00 0.00 H new ATOM 319 N GLN A 20 -9.278 5.407 -1.791 1.00 0.00 N ATOM 320 CA GLN A 20 -7.933 6.024 -1.988 1.00 0.00 C ATOM 321 C GLN A 20 -8.041 7.551 -2.061 1.00 0.00 C ATOM 322 O GLN A 20 -7.334 8.263 -1.377 1.00 0.00 O ATOM 323 CB GLN A 20 -7.322 5.495 -3.289 1.00 0.00 C ATOM 324 CG GLN A 20 -7.667 4.014 -3.456 1.00 0.00 C ATOM 325 CD GLN A 20 -7.203 3.235 -2.224 1.00 0.00 C ATOM 326 OE1 GLN A 20 -7.684 3.460 -1.133 1.00 0.00 O ATOM 327 NE2 GLN A 20 -6.281 2.322 -2.355 1.00 0.00 N ATOM 0 H GLN A 20 -9.694 4.997 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.299 5.761 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.701 6.064 -4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.240 5.627 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.742 3.894 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.187 3.618 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.877 2.133 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.964 1.797 -1.540 1.00 0.00 H new ATOM 336 N ILE A 21 -8.903 8.062 -2.894 1.00 0.00 N ATOM 337 CA ILE A 21 -9.029 9.543 -3.020 1.00 0.00 C ATOM 338 C ILE A 21 -9.142 10.194 -1.635 1.00 0.00 C ATOM 339 O ILE A 21 -8.631 11.266 -1.415 1.00 0.00 O ATOM 340 CB ILE A 21 -10.253 9.900 -3.884 1.00 0.00 C ATOM 341 CG1 ILE A 21 -9.958 11.167 -4.700 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.476 10.153 -2.998 1.00 0.00 C ATOM 343 CD1 ILE A 21 -8.851 10.894 -5.728 1.00 0.00 C ATOM 0 H ILE A 21 -9.526 7.520 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.133 9.928 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.460 9.065 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.863 11.498 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.654 11.974 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.333 10.404 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.699 9.256 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.268 10.980 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.653 11.801 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.943 10.585 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.171 10.102 -6.405 1.00 0.00 H new ATOM 355 N LYS A 22 -9.826 9.581 -0.709 1.00 0.00 N ATOM 356 CA LYS A 22 -9.970 10.211 0.639 1.00 0.00 C ATOM 357 C LYS A 22 -8.606 10.318 1.330 1.00 0.00 C ATOM 358 O LYS A 22 -7.974 11.362 1.325 1.00 0.00 O ATOM 359 CB LYS A 22 -10.915 9.366 1.498 1.00 0.00 C ATOM 360 CG LYS A 22 -11.280 10.136 2.773 1.00 0.00 C ATOM 361 CD LYS A 22 -11.839 9.168 3.825 1.00 0.00 C ATOM 362 CE LYS A 22 -13.242 8.692 3.418 1.00 0.00 C ATOM 363 NZ LYS A 22 -13.241 7.209 3.284 1.00 0.00 N ATOM 0 H LYS A 22 -10.289 8.679 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.380 11.214 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.817 9.126 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.439 8.420 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.400 10.645 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.018 10.905 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.173 8.311 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.882 9.661 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.974 9.000 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.535 9.153 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.190 6.885 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.554 6.927 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.979 6.778 4.194 1.00 0.00 H new ATOM 377 N GLU A 23 -8.147 9.249 1.926 1.00 0.00 N ATOM 378 CA GLU A 23 -6.827 9.285 2.619 1.00 0.00 C ATOM 379 C GLU A 23 -5.822 10.035 1.747 1.00 0.00 C ATOM 380 O GLU A 23 -4.992 10.782 2.228 1.00 0.00 O ATOM 381 CB GLU A 23 -6.334 7.855 2.851 1.00 0.00 C ATOM 382 CG GLU A 23 -7.228 7.169 3.887 1.00 0.00 C ATOM 383 CD GLU A 23 -6.971 7.779 5.266 1.00 0.00 C ATOM 384 OE1 GLU A 23 -5.898 7.553 5.802 1.00 0.00 O ATOM 385 OE2 GLU A 23 -7.852 8.462 5.764 1.00 0.00 O ATOM 0 H GLU A 23 -8.631 8.352 1.962 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.930 9.792 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.350 7.297 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.301 7.867 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.277 7.289 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.024 6.098 3.907 1.00 0.00 H new ATOM 392 N HIS A 24 -5.898 9.837 0.464 1.00 0.00 N ATOM 393 CA HIS A 24 -4.963 10.527 -0.463 1.00 0.00 C ATOM 394 C HIS A 24 -5.464 11.953 -0.702 1.00 0.00 C ATOM 395 O HIS A 24 -4.697 12.889 -0.786 1.00 0.00 O ATOM 396 CB HIS A 24 -4.906 9.758 -1.786 1.00 0.00 C ATOM 397 CG HIS A 24 -4.715 8.289 -1.504 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.236 7.676 -0.370 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.064 7.296 -2.196 1.00 0.00 C ATOM 400 CE1 HIS A 24 -4.892 6.376 -0.416 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.179 6.095 -1.506 1.00 0.00 N ATOM 0 H HIS A 24 -6.574 9.221 0.013 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.963 10.565 -0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.825 9.915 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.087 10.131 -2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.543 7.429 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.161 5.650 0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.798 5.189 -1.777 1.00 0.00 H new ATOM 410 N GLY A 25 -6.754 12.112 -0.810 1.00 0.00 N ATOM 411 CA GLY A 25 -7.349 13.463 -1.038 1.00 0.00 C ATOM 412 C GLY A 25 -6.631 14.501 -0.181 1.00 0.00 C ATOM 413 O GLY A 25 -6.422 15.623 -0.599 1.00 0.00 O ATOM 0 H GLY A 25 -7.433 11.353 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.269 13.731 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.411 13.448 -0.792 1.00 0.00 H new ATOM 417 N LEU A 26 -6.263 14.143 1.022 1.00 0.00 N ATOM 418 CA LEU A 26 -5.568 15.122 1.913 1.00 0.00 C ATOM 419 C LEU A 26 -4.617 15.985 1.076 1.00 0.00 C ATOM 420 O LEU A 26 -4.510 17.178 1.276 1.00 0.00 O ATOM 421 CB LEU A 26 -4.771 14.364 2.982 1.00 0.00 C ATOM 422 CG LEU A 26 -5.681 14.038 4.167 1.00 0.00 C ATOM 423 CD1 LEU A 26 -6.857 13.182 3.691 1.00 0.00 C ATOM 424 CD2 LEU A 26 -4.886 13.266 5.222 1.00 0.00 C ATOM 0 H LEU A 26 -6.413 13.218 1.426 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.305 15.762 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.362 13.445 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.926 14.966 3.315 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.058 14.965 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.504 12.951 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.425 13.730 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.481 12.255 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.534 13.033 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.509 12.340 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.048 13.874 5.564 1.00 0.00 H new ATOM 436 N LYS A 27 -3.949 15.396 0.122 1.00 0.00 N ATOM 437 CA LYS A 27 -3.032 16.183 -0.749 1.00 0.00 C ATOM 438 C LYS A 27 -3.759 16.493 -2.059 1.00 0.00 C ATOM 439 O LYS A 27 -4.723 15.841 -2.406 1.00 0.00 O ATOM 440 CB LYS A 27 -1.773 15.363 -1.041 1.00 0.00 C ATOM 441 CG LYS A 27 -1.254 14.742 0.259 1.00 0.00 C ATOM 442 CD LYS A 27 0.172 14.231 0.048 1.00 0.00 C ATOM 443 CE LYS A 27 0.672 13.566 1.332 1.00 0.00 C ATOM 444 NZ LYS A 27 0.357 14.439 2.499 1.00 0.00 N ATOM 0 H LYS A 27 -3.999 14.400 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.744 17.109 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.996 14.581 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.007 15.999 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.272 15.481 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.903 13.922 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.196 13.518 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.829 15.057 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.201 12.591 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.747 13.396 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.979 14.192 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.507 15.435 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.635 14.300 2.779 1.00 0.00 H new ATOM 458 N LYS A 28 -3.314 17.481 -2.789 1.00 0.00 N ATOM 459 CA LYS A 28 -3.995 17.821 -4.074 1.00 0.00 C ATOM 460 C LYS A 28 -4.315 16.533 -4.839 1.00 0.00 C ATOM 461 O LYS A 28 -3.683 15.515 -4.644 1.00 0.00 O ATOM 462 CB LYS A 28 -3.073 18.705 -4.921 1.00 0.00 C ATOM 463 CG LYS A 28 -3.583 18.752 -6.365 1.00 0.00 C ATOM 464 CD LYS A 28 -2.967 19.951 -7.090 1.00 0.00 C ATOM 465 CE LYS A 28 -3.512 20.018 -8.518 1.00 0.00 C ATOM 466 NZ LYS A 28 -4.984 20.245 -8.478 1.00 0.00 N ATOM 0 H LYS A 28 -2.512 18.065 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.921 18.357 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.037 19.712 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.056 18.314 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.323 17.829 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.670 18.828 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.201 20.872 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.881 19.860 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.024 20.823 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.290 19.091 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.235 21.013 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.477 19.374 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.269 20.507 -7.513 1.00 0.00 H new ATOM 480 N SER A 29 -5.292 16.571 -5.710 1.00 0.00 N ATOM 481 CA SER A 29 -5.648 15.347 -6.488 1.00 0.00 C ATOM 482 C SER A 29 -4.366 14.674 -6.973 1.00 0.00 C ATOM 483 O SER A 29 -3.824 15.019 -8.005 1.00 0.00 O ATOM 484 CB SER A 29 -6.504 15.739 -7.692 1.00 0.00 C ATOM 485 OG SER A 29 -7.722 16.314 -7.235 1.00 0.00 O ATOM 0 H SER A 29 -5.857 17.395 -5.915 1.00 0.00 H new ATOM 0 HA SER A 29 -6.209 14.659 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.966 16.449 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.710 14.863 -8.307 1.00 0.00 H new ATOM 0 HG SER A 29 -8.273 16.568 -8.005 1.00 0.00 H new ATOM 491 N ASN A 30 -3.863 13.730 -6.222 1.00 0.00 N ATOM 492 CA ASN A 30 -2.598 13.046 -6.619 1.00 0.00 C ATOM 493 C ASN A 30 -2.833 11.543 -6.795 1.00 0.00 C ATOM 494 O ASN A 30 -2.086 10.731 -6.286 1.00 0.00 O ATOM 495 CB ASN A 30 -1.550 13.271 -5.525 1.00 0.00 C ATOM 496 CG ASN A 30 -0.147 13.081 -6.106 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.125 13.497 -7.215 1.00 0.00 O ATOM 498 ND2 ASN A 30 0.760 12.465 -5.399 1.00 0.00 N ATOM 0 H ASN A 30 -4.275 13.403 -5.348 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.251 13.458 -7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.650 14.275 -5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.712 12.572 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.698 12.332 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.531 12.116 -4.468 1.00 0.00 H new ATOM 505 N LEU A 31 -3.852 11.157 -7.515 1.00 0.00 N ATOM 506 CA LEU A 31 -4.097 9.699 -7.714 1.00 0.00 C ATOM 507 C LEU A 31 -5.004 9.472 -8.927 1.00 0.00 C ATOM 508 O LEU A 31 -6.029 10.107 -9.080 1.00 0.00 O ATOM 509 CB LEU A 31 -4.759 9.114 -6.463 1.00 0.00 C ATOM 510 CG LEU A 31 -4.478 7.607 -6.392 1.00 0.00 C ATOM 511 CD1 LEU A 31 -3.043 7.357 -5.906 1.00 0.00 C ATOM 512 CD2 LEU A 31 -5.468 6.952 -5.424 1.00 0.00 C ATOM 0 H LEU A 31 -4.519 11.780 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.142 9.203 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.375 9.609 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.834 9.293 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.594 7.175 -7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.856 6.284 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.339 7.819 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.914 7.791 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.271 5.881 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.353 7.391 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.486 7.117 -5.778 1.00 0.00 H new ATOM 524 N GLN A 32 -4.635 8.557 -9.783 1.00 0.00 N ATOM 525 CA GLN A 32 -5.470 8.263 -10.984 1.00 0.00 C ATOM 526 C GLN A 32 -5.291 6.788 -11.358 1.00 0.00 C ATOM 527 O GLN A 32 -4.519 6.451 -12.232 1.00 0.00 O ATOM 528 CB GLN A 32 -5.020 9.151 -12.154 1.00 0.00 C ATOM 529 CG GLN A 32 -5.889 10.412 -12.219 1.00 0.00 C ATOM 530 CD GLN A 32 -5.524 11.216 -13.469 1.00 0.00 C ATOM 531 OE1 GLN A 32 -4.405 11.156 -13.938 1.00 0.00 O ATOM 532 NE2 GLN A 32 -6.428 11.968 -14.033 1.00 0.00 N ATOM 0 H GLN A 32 -3.786 7.997 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.519 8.466 -10.767 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.973 9.427 -12.030 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.095 8.599 -13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.944 10.139 -12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.737 11.018 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.368 12.018 -13.639 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.195 12.506 -14.868 1.00 0.00 H new ATOM 541 N LEU A 33 -5.994 5.905 -10.698 1.00 0.00 N ATOM 542 CA LEU A 33 -5.854 4.454 -11.010 1.00 0.00 C ATOM 543 C LEU A 33 -7.045 3.984 -11.846 1.00 0.00 C ATOM 544 O LEU A 33 -8.040 4.668 -11.973 1.00 0.00 O ATOM 545 CB LEU A 33 -5.802 3.649 -9.704 1.00 0.00 C ATOM 546 CG LEU A 33 -7.021 3.981 -8.825 1.00 0.00 C ATOM 547 CD1 LEU A 33 -7.483 2.722 -8.087 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.643 5.053 -7.796 1.00 0.00 C ATOM 0 H LEU A 33 -6.659 6.127 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.934 4.299 -11.573 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.785 2.582 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.883 3.877 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.825 4.351 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.346 2.961 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.758 1.956 -8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.674 2.352 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.509 5.284 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.834 4.683 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.316 5.955 -8.314 1.00 0.00 H new ATOM 560 N ARG A 34 -6.941 2.814 -12.414 1.00 0.00 N ATOM 561 CA ARG A 34 -8.054 2.270 -13.247 1.00 0.00 C ATOM 562 C ARG A 34 -8.473 0.904 -12.696 1.00 0.00 C ATOM 563 O ARG A 34 -8.049 0.497 -11.634 1.00 0.00 O ATOM 564 CB ARG A 34 -7.578 2.113 -14.692 1.00 0.00 C ATOM 565 CG ARG A 34 -6.874 3.396 -15.139 1.00 0.00 C ATOM 566 CD ARG A 34 -6.672 3.369 -16.654 1.00 0.00 C ATOM 567 NE ARG A 34 -5.645 4.379 -17.037 1.00 0.00 N ATOM 568 CZ ARG A 34 -5.295 4.514 -18.286 1.00 0.00 C ATOM 569 NH1 ARG A 34 -5.844 3.764 -19.202 1.00 0.00 N ATOM 570 NH2 ARG A 34 -4.393 5.398 -18.620 1.00 0.00 N ATOM 0 H ARG A 34 -6.126 2.205 -12.337 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.903 2.953 -13.218 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.898 1.265 -14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.426 1.904 -15.345 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.467 4.266 -14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.912 3.489 -14.635 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.356 2.375 -16.972 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.613 3.582 -17.161 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.215 4.965 -16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.547 3.072 -18.941 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.570 3.869 -20.179 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.962 5.983 -17.904 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.119 5.503 -19.597 1.00 0.00 H new ATOM 584 N ASP A 35 -9.304 0.195 -13.410 1.00 0.00 N ATOM 585 CA ASP A 35 -9.750 -1.142 -12.924 1.00 0.00 C ATOM 586 C ASP A 35 -8.671 -2.186 -13.223 1.00 0.00 C ATOM 587 O ASP A 35 -8.359 -3.022 -12.400 1.00 0.00 O ATOM 588 CB ASP A 35 -11.049 -1.534 -13.633 1.00 0.00 C ATOM 589 CG ASP A 35 -11.710 -2.694 -12.886 1.00 0.00 C ATOM 590 OD1 ASP A 35 -11.102 -3.197 -11.957 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.813 -3.060 -13.260 1.00 0.00 O ATOM 0 H ASP A 35 -9.693 0.483 -14.308 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.920 -1.097 -11.848 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.726 -0.680 -13.672 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.840 -1.823 -14.663 1.00 0.00 H new ATOM 596 N GLN A 36 -8.102 -2.145 -14.396 1.00 0.00 N ATOM 597 CA GLN A 36 -7.047 -3.138 -14.751 1.00 0.00 C ATOM 598 C GLN A 36 -5.917 -3.089 -13.718 1.00 0.00 C ATOM 599 O GLN A 36 -5.377 -4.105 -13.328 1.00 0.00 O ATOM 600 CB GLN A 36 -6.484 -2.809 -16.136 1.00 0.00 C ATOM 601 CG GLN A 36 -7.634 -2.696 -17.140 1.00 0.00 C ATOM 602 CD GLN A 36 -7.067 -2.474 -18.543 1.00 0.00 C ATOM 603 OE1 GLN A 36 -6.353 -1.520 -18.779 1.00 0.00 O ATOM 604 NE2 GLN A 36 -7.358 -3.321 -19.492 1.00 0.00 N ATOM 0 H GLN A 36 -8.322 -1.467 -15.125 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.483 -4.137 -14.759 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.925 -1.874 -16.100 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.787 -3.586 -16.451 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.239 -3.603 -17.120 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.290 -1.869 -16.866 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.957 -4.122 -19.294 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.986 -3.182 -20.431 1.00 0.00 H new ATOM 613 N ALA A 37 -5.550 -1.917 -13.279 1.00 0.00 N ATOM 614 CA ALA A 37 -4.450 -1.804 -12.279 1.00 0.00 C ATOM 615 C ALA A 37 -4.738 -2.707 -11.075 1.00 0.00 C ATOM 616 O ALA A 37 -4.097 -3.721 -10.877 1.00 0.00 O ATOM 617 CB ALA A 37 -4.338 -0.352 -11.809 1.00 0.00 C ATOM 0 H ALA A 37 -5.964 -1.031 -13.570 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.514 -2.116 -12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.534 -0.267 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.122 0.291 -12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.278 -0.044 -11.352 1.00 0.00 H new ATOM 623 N ILE A 38 -5.690 -2.340 -10.260 1.00 0.00 N ATOM 624 CA ILE A 38 -6.009 -3.169 -9.063 1.00 0.00 C ATOM 625 C ILE A 38 -6.183 -4.633 -9.472 1.00 0.00 C ATOM 626 O ILE A 38 -5.590 -5.522 -8.895 1.00 0.00 O ATOM 627 CB ILE A 38 -7.297 -2.660 -8.416 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.077 -1.232 -7.910 1.00 0.00 C ATOM 629 CG2 ILE A 38 -7.670 -3.563 -7.239 1.00 0.00 C ATOM 630 CD1 ILE A 38 -8.410 -0.629 -7.469 1.00 0.00 C ATOM 0 H ILE A 38 -6.260 -1.502 -10.372 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.189 -3.094 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.103 -2.670 -9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.375 -1.236 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.634 -0.622 -8.697 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.588 -3.199 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.822 -4.582 -7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.866 -3.552 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.248 0.387 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.098 -0.610 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.836 -1.234 -6.668 1.00 0.00 H new ATOM 642 N LEU A 39 -6.993 -4.895 -10.462 1.00 0.00 N ATOM 643 CA LEU A 39 -7.200 -6.305 -10.898 1.00 0.00 C ATOM 644 C LEU A 39 -5.839 -6.991 -11.048 1.00 0.00 C ATOM 645 O LEU A 39 -5.609 -8.059 -10.519 1.00 0.00 O ATOM 646 CB LEU A 39 -7.945 -6.321 -12.244 1.00 0.00 C ATOM 647 CG LEU A 39 -9.383 -6.820 -12.047 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.249 -6.368 -13.223 1.00 0.00 C ATOM 649 CD2 LEU A 39 -9.387 -8.351 -11.974 1.00 0.00 C ATOM 0 H LEU A 39 -7.519 -4.196 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.793 -6.838 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.955 -5.320 -12.674 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.422 -6.966 -12.950 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.784 -6.408 -11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.270 -6.723 -13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.248 -5.279 -13.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.847 -6.778 -14.149 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.408 -8.706 -11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.984 -8.760 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.772 -8.677 -11.136 1.00 0.00 H new ATOM 661 N ASP A 40 -4.939 -6.382 -11.765 1.00 0.00 N ATOM 662 CA ASP A 40 -3.594 -6.995 -11.952 1.00 0.00 C ATOM 663 C ASP A 40 -2.978 -7.303 -10.585 1.00 0.00 C ATOM 664 O ASP A 40 -2.486 -8.388 -10.347 1.00 0.00 O ATOM 665 CB ASP A 40 -2.689 -6.026 -12.715 1.00 0.00 C ATOM 666 CG ASP A 40 -3.080 -6.020 -14.194 1.00 0.00 C ATOM 667 OD1 ASP A 40 -2.888 -7.036 -14.842 1.00 0.00 O ATOM 668 OD2 ASP A 40 -3.566 -4.999 -14.653 1.00 0.00 O ATOM 0 H ASP A 40 -5.076 -5.485 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.694 -7.919 -12.521 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.781 -5.022 -12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.646 -6.323 -12.605 1.00 0.00 H new ATOM 673 N ILE A 41 -2.995 -6.358 -9.685 1.00 0.00 N ATOM 674 CA ILE A 41 -2.403 -6.606 -8.338 1.00 0.00 C ATOM 675 C ILE A 41 -2.913 -7.941 -7.786 1.00 0.00 C ATOM 676 O ILE A 41 -2.236 -8.947 -7.848 1.00 0.00 O ATOM 677 CB ILE A 41 -2.804 -5.477 -7.384 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.339 -4.137 -7.960 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.145 -5.705 -6.020 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.764 -2.996 -7.031 1.00 0.00 C ATOM 0 H ILE A 41 -3.391 -5.428 -9.822 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.317 -6.641 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.887 -5.465 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.255 -4.138 -8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.767 -3.989 -8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.429 -4.902 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.475 -6.660 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.061 -5.715 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.430 -2.045 -7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.850 -2.989 -6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.315 -3.140 -6.048 1.00 0.00 H new ATOM 692 N ILE A 42 -4.098 -7.953 -7.240 1.00 0.00 N ATOM 693 CA ILE A 42 -4.653 -9.218 -6.674 1.00 0.00 C ATOM 694 C ILE A 42 -4.418 -10.379 -7.644 1.00 0.00 C ATOM 695 O ILE A 42 -4.117 -11.483 -7.240 1.00 0.00 O ATOM 696 CB ILE A 42 -6.157 -9.053 -6.436 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.758 -10.399 -6.016 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.831 -8.578 -7.724 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.175 -10.188 -5.478 1.00 0.00 C ATOM 0 H ILE A 42 -4.708 -7.140 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.151 -9.434 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.319 -8.318 -5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.780 -11.080 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.134 -10.864 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.901 -8.461 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.405 -7.621 -8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.668 -9.313 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.598 -11.148 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.141 -9.523 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.797 -9.743 -6.255 1.00 0.00 H new ATOM 711 N ARG A 43 -4.569 -10.146 -8.916 1.00 0.00 N ATOM 712 CA ARG A 43 -4.372 -11.248 -9.903 1.00 0.00 C ATOM 713 C ARG A 43 -2.982 -11.873 -9.735 1.00 0.00 C ATOM 714 O ARG A 43 -2.832 -13.078 -9.771 1.00 0.00 O ATOM 715 CB ARG A 43 -4.514 -10.695 -11.324 1.00 0.00 C ATOM 716 CG ARG A 43 -4.447 -11.848 -12.343 1.00 0.00 C ATOM 717 CD ARG A 43 -5.478 -11.619 -13.452 1.00 0.00 C ATOM 718 NE ARG A 43 -5.428 -12.752 -14.419 1.00 0.00 N ATOM 719 CZ ARG A 43 -4.545 -12.754 -15.380 1.00 0.00 C ATOM 720 NH1 ARG A 43 -3.707 -11.760 -15.498 1.00 0.00 N ATOM 721 NH2 ARG A 43 -4.502 -13.748 -16.224 1.00 0.00 N ATOM 0 H ARG A 43 -4.820 -9.242 -9.317 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.127 -12.014 -9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.461 -10.164 -11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.721 -9.974 -11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.446 -11.910 -12.771 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.640 -12.798 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.477 -11.537 -13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.273 -10.680 -13.965 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.085 -13.527 -14.330 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.742 -10.982 -14.839 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.017 -11.761 -16.249 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.158 -14.523 -16.133 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.812 -13.750 -16.975 1.00 0.00 H new ATOM 735 N TYR A 44 -1.964 -11.074 -9.559 1.00 0.00 N ATOM 736 CA TYR A 44 -0.595 -11.644 -9.401 1.00 0.00 C ATOM 737 C TYR A 44 -0.400 -12.121 -7.961 1.00 0.00 C ATOM 738 O TYR A 44 0.214 -13.138 -7.710 1.00 0.00 O ATOM 739 CB TYR A 44 0.444 -10.569 -9.727 1.00 0.00 C ATOM 740 CG TYR A 44 0.506 -10.366 -11.224 1.00 0.00 C ATOM 741 CD1 TYR A 44 0.974 -11.393 -12.050 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.093 -9.149 -11.784 1.00 0.00 C ATOM 743 CE1 TYR A 44 1.032 -11.205 -13.437 1.00 0.00 C ATOM 744 CE2 TYR A 44 0.150 -8.962 -13.170 1.00 0.00 C ATOM 745 CZ TYR A 44 0.620 -9.990 -13.996 1.00 0.00 C ATOM 746 OH TYR A 44 0.676 -9.805 -15.363 1.00 0.00 O ATOM 0 H TYR A 44 -2.020 -10.056 -9.518 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.473 -12.488 -10.080 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.182 -9.633 -9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.422 -10.867 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.291 -12.331 -11.619 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.269 -8.356 -11.146 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.395 -11.998 -14.075 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.169 -8.025 -13.602 1.00 0.00 H new ATOM 0 HH TYR A 44 0.353 -8.907 -15.585 1.00 0.00 H new ATOM 756 N TYR A 45 -0.901 -11.380 -7.015 1.00 0.00 N ATOM 757 CA TYR A 45 -0.731 -11.769 -5.588 1.00 0.00 C ATOM 758 C TYR A 45 -1.751 -12.838 -5.197 1.00 0.00 C ATOM 759 O TYR A 45 -1.401 -13.864 -4.650 1.00 0.00 O ATOM 760 CB TYR A 45 -0.937 -10.537 -4.709 1.00 0.00 C ATOM 761 CG TYR A 45 0.251 -9.622 -4.846 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.515 -8.999 -6.070 1.00 0.00 C ATOM 763 CD2 TYR A 45 1.092 -9.399 -3.752 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.618 -8.154 -6.202 1.00 0.00 C ATOM 765 CE2 TYR A 45 2.196 -8.553 -3.881 1.00 0.00 C ATOM 766 CZ TYR A 45 2.461 -7.928 -5.107 1.00 0.00 C ATOM 767 OH TYR A 45 3.552 -7.093 -5.234 1.00 0.00 O ATOM 0 H TYR A 45 -1.423 -10.518 -7.169 1.00 0.00 H new ATOM 0 HA TYR A 45 0.272 -12.172 -5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.848 -10.015 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.062 -10.836 -3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.136 -9.172 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.888 -9.881 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.821 -7.675 -7.148 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.846 -8.380 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 45 4.029 -7.046 -4.379 1.00 0.00 H new ATOM 777 N THR A 46 -3.008 -12.599 -5.451 1.00 0.00 N ATOM 778 CA THR A 46 -4.049 -13.595 -5.070 1.00 0.00 C ATOM 779 C THR A 46 -4.146 -13.640 -3.546 1.00 0.00 C ATOM 780 O THR A 46 -5.219 -13.663 -2.977 1.00 0.00 O ATOM 781 CB THR A 46 -3.671 -14.983 -5.598 1.00 0.00 C ATOM 782 OG1 THR A 46 -2.789 -15.615 -4.683 1.00 0.00 O ATOM 783 CG2 THR A 46 -2.991 -14.860 -6.966 1.00 0.00 C ATOM 0 H THR A 46 -3.360 -11.757 -5.906 1.00 0.00 H new ATOM 0 HA THR A 46 -5.007 -13.305 -5.502 1.00 0.00 H new ATOM 0 HB THR A 46 -4.576 -15.581 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.909 -15.186 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.727 -15.852 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.673 -14.384 -7.670 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.088 -14.256 -6.871 1.00 0.00 H new ATOM 791 N ARG A 47 -3.023 -13.646 -2.886 1.00 0.00 N ATOM 792 CA ARG A 47 -3.018 -13.682 -1.396 1.00 0.00 C ATOM 793 C ARG A 47 -4.059 -12.695 -0.854 1.00 0.00 C ATOM 794 O ARG A 47 -4.336 -11.679 -1.459 1.00 0.00 O ATOM 795 CB ARG A 47 -1.619 -13.298 -0.889 1.00 0.00 C ATOM 796 CG ARG A 47 -1.371 -11.792 -1.093 1.00 0.00 C ATOM 797 CD ARG A 47 -1.549 -11.051 0.235 1.00 0.00 C ATOM 798 NE ARG A 47 -0.361 -11.294 1.101 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.426 -11.048 2.380 1.00 0.00 C ATOM 800 NH1 ARG A 47 -1.529 -10.584 2.900 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.614 -11.263 3.139 1.00 0.00 N ATOM 0 H ARG A 47 -2.099 -13.627 -3.318 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.267 -14.685 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.526 -13.549 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.861 -13.874 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.365 -11.629 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.065 -11.397 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.669 -9.983 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.454 -11.393 0.736 1.00 0.00 H new ATOM 0 HE ARG A 47 0.503 -11.653 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.341 -10.414 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.580 -10.392 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.477 -11.623 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.564 -11.071 4.139 1.00 0.00 H new ATOM 815 N GLU A 48 -4.641 -12.985 0.278 1.00 0.00 N ATOM 816 CA GLU A 48 -5.662 -12.059 0.847 1.00 0.00 C ATOM 817 C GLU A 48 -6.072 -12.533 2.243 1.00 0.00 C ATOM 818 O GLU A 48 -6.070 -11.773 3.191 1.00 0.00 O ATOM 819 CB GLU A 48 -6.893 -12.030 -0.065 1.00 0.00 C ATOM 820 CG GLU A 48 -7.415 -13.454 -0.279 1.00 0.00 C ATOM 821 CD GLU A 48 -8.322 -13.485 -1.512 1.00 0.00 C ATOM 822 OE1 GLU A 48 -7.832 -13.199 -2.591 1.00 0.00 O ATOM 823 OE2 GLU A 48 -9.492 -13.793 -1.353 1.00 0.00 O ATOM 0 H GLU A 48 -4.454 -13.821 0.832 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.237 -11.058 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.672 -11.411 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.636 -11.579 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.581 -14.143 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.967 -13.786 0.600 1.00 0.00 H new ATOM 830 N ALA A 49 -6.425 -13.782 2.381 1.00 0.00 N ATOM 831 CA ALA A 49 -6.839 -14.295 3.718 1.00 0.00 C ATOM 832 C ALA A 49 -7.870 -13.344 4.330 1.00 0.00 C ATOM 833 O ALA A 49 -8.103 -13.349 5.522 1.00 0.00 O ATOM 834 CB ALA A 49 -5.613 -14.378 4.632 1.00 0.00 C ATOM 0 H ALA A 49 -6.445 -14.469 1.627 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.279 -15.286 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.913 -14.753 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.878 -15.054 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.174 -13.387 4.743 1.00 0.00 H new ATOM 840 N GLY A 50 -8.487 -12.525 3.520 1.00 0.00 N ATOM 841 CA GLY A 50 -9.504 -11.571 4.047 1.00 0.00 C ATOM 842 C GLY A 50 -9.489 -10.297 3.200 1.00 0.00 C ATOM 843 O GLY A 50 -8.497 -9.961 2.584 1.00 0.00 O ATOM 0 H GLY A 50 -8.329 -12.476 2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.494 -12.026 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.290 -11.332 5.089 1.00 0.00 H new ATOM 847 N VAL A 51 -10.584 -9.590 3.156 1.00 0.00 N ATOM 848 CA VAL A 51 -10.633 -8.343 2.342 1.00 0.00 C ATOM 849 C VAL A 51 -9.975 -7.193 3.110 1.00 0.00 C ATOM 850 O VAL A 51 -9.272 -6.382 2.542 1.00 0.00 O ATOM 851 CB VAL A 51 -12.090 -7.986 2.040 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.591 -8.836 0.870 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.949 -8.262 3.276 1.00 0.00 C ATOM 0 H VAL A 51 -11.447 -9.822 3.648 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.095 -8.505 1.408 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.159 -6.930 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.629 -8.582 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.979 -8.640 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.522 -9.892 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.987 -8.008 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.881 -9.318 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.592 -7.657 4.110 1.00 0.00 H new ATOM 863 N ARG A 52 -10.201 -7.113 4.394 1.00 0.00 N ATOM 864 CA ARG A 52 -9.591 -6.011 5.194 1.00 0.00 C ATOM 865 C ARG A 52 -8.130 -5.823 4.778 1.00 0.00 C ATOM 866 O ARG A 52 -7.736 -4.771 4.312 1.00 0.00 O ATOM 867 CB ARG A 52 -9.655 -6.364 6.683 1.00 0.00 C ATOM 868 CG ARG A 52 -9.359 -5.116 7.525 1.00 0.00 C ATOM 869 CD ARG A 52 -10.647 -4.311 7.741 1.00 0.00 C ATOM 870 NE ARG A 52 -11.325 -4.786 8.980 1.00 0.00 N ATOM 871 CZ ARG A 52 -12.221 -4.036 9.561 1.00 0.00 C ATOM 872 NH1 ARG A 52 -12.528 -2.874 9.054 1.00 0.00 N ATOM 873 NH2 ARG A 52 -12.812 -4.449 10.649 1.00 0.00 N ATOM 0 H ARG A 52 -10.782 -7.763 4.924 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.141 -5.087 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.641 -6.756 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.933 -7.148 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.937 -5.408 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.614 -4.498 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.416 -3.249 7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.310 -4.427 6.883 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.089 -5.697 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.068 -2.551 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.228 -2.288 9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.574 -5.358 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.512 -3.863 11.103 1.00 0.00 H new ATOM 887 N SER A 53 -7.323 -6.834 4.937 1.00 0.00 N ATOM 888 CA SER A 53 -5.893 -6.710 4.546 1.00 0.00 C ATOM 889 C SER A 53 -5.806 -6.352 3.066 1.00 0.00 C ATOM 890 O SER A 53 -5.024 -5.512 2.664 1.00 0.00 O ATOM 891 CB SER A 53 -5.178 -8.035 4.790 1.00 0.00 C ATOM 892 OG SER A 53 -5.300 -8.390 6.161 1.00 0.00 O ATOM 0 H SER A 53 -7.592 -7.740 5.321 1.00 0.00 H new ATOM 0 HA SER A 53 -5.419 -5.930 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.608 -8.815 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.126 -7.949 4.517 1.00 0.00 H new ATOM 0 HG SER A 53 -4.843 -9.242 6.320 1.00 0.00 H new ATOM 898 N LEU A 54 -6.607 -6.976 2.249 1.00 0.00 N ATOM 899 CA LEU A 54 -6.569 -6.661 0.796 1.00 0.00 C ATOM 900 C LEU A 54 -6.664 -5.145 0.630 1.00 0.00 C ATOM 901 O LEU A 54 -5.776 -4.509 0.096 1.00 0.00 O ATOM 902 CB LEU A 54 -7.751 -7.339 0.093 1.00 0.00 C ATOM 903 CG LEU A 54 -7.415 -7.565 -1.385 1.00 0.00 C ATOM 904 CD1 LEU A 54 -8.635 -8.147 -2.104 1.00 0.00 C ATOM 905 CD2 LEU A 54 -7.029 -6.232 -2.031 1.00 0.00 C ATOM 0 H LEU A 54 -7.284 -7.688 2.524 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.642 -7.026 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.975 -8.291 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.643 -6.719 0.182 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.581 -8.262 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.396 -8.308 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.909 -9.097 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.470 -7.451 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.790 -6.393 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.862 -5.534 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.159 -5.819 -1.520 1.00 0.00 H new ATOM 917 N GLU A 55 -7.729 -4.560 1.103 1.00 0.00 N ATOM 918 CA GLU A 55 -7.879 -3.085 0.993 1.00 0.00 C ATOM 919 C GLU A 55 -6.602 -2.419 1.506 1.00 0.00 C ATOM 920 O GLU A 55 -6.135 -1.441 0.954 1.00 0.00 O ATOM 921 CB GLU A 55 -9.071 -2.626 1.837 1.00 0.00 C ATOM 922 CG GLU A 55 -10.344 -3.308 1.333 1.00 0.00 C ATOM 923 CD GLU A 55 -11.564 -2.665 1.996 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.922 -1.570 1.595 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.120 -3.278 2.892 1.00 0.00 O ATOM 0 H GLU A 55 -8.502 -5.042 1.561 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.050 -2.807 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.904 -2.872 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.177 -1.543 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.414 -3.215 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.313 -4.374 1.560 1.00 0.00 H new ATOM 932 N ARG A 56 -6.029 -2.941 2.559 1.00 0.00 N ATOM 933 CA ARG A 56 -4.781 -2.335 3.099 1.00 0.00 C ATOM 934 C ARG A 56 -3.683 -2.410 2.036 1.00 0.00 C ATOM 935 O ARG A 56 -2.907 -1.493 1.866 1.00 0.00 O ATOM 936 CB ARG A 56 -4.340 -3.097 4.352 1.00 0.00 C ATOM 937 CG ARG A 56 -3.327 -2.256 5.135 1.00 0.00 C ATOM 938 CD ARG A 56 -2.945 -2.982 6.425 1.00 0.00 C ATOM 939 NE ARG A 56 -4.012 -2.778 7.446 1.00 0.00 N ATOM 940 CZ ARG A 56 -3.900 -3.326 8.625 1.00 0.00 C ATOM 941 NH1 ARG A 56 -2.856 -4.054 8.910 1.00 0.00 N ATOM 942 NH2 ARG A 56 -4.833 -3.145 9.519 1.00 0.00 N ATOM 0 H ARG A 56 -6.371 -3.758 3.065 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.964 -1.293 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.204 -3.319 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.896 -4.052 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.439 -2.080 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.752 -1.280 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.812 -4.046 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.993 -2.605 6.798 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.829 -2.210 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.127 -4.195 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.769 -4.482 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.649 -2.575 9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.746 -3.573 10.441 1.00 0.00 H new ATOM 956 N GLN A 57 -3.614 -3.499 1.319 1.00 0.00 N ATOM 957 CA GLN A 57 -2.569 -3.633 0.265 1.00 0.00 C ATOM 958 C GLN A 57 -2.787 -2.564 -0.810 1.00 0.00 C ATOM 959 O GLN A 57 -1.875 -1.856 -1.188 1.00 0.00 O ATOM 960 CB GLN A 57 -2.661 -5.021 -0.371 1.00 0.00 C ATOM 961 CG GLN A 57 -1.404 -5.292 -1.198 1.00 0.00 C ATOM 962 CD GLN A 57 -1.542 -6.636 -1.915 1.00 0.00 C ATOM 963 OE1 GLN A 57 -1.545 -6.669 -3.220 1.00 0.00 O flip ATOM 964 NE2 GLN A 57 -1.649 -7.667 -1.282 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.236 -4.301 1.418 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.584 -3.503 0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.769 -5.780 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.546 -5.084 -1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.256 -4.494 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.526 -5.301 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.647 -7.642 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.741 -8.558 -1.770 1.00 0.00 H new ATOM 973 N LEU A 58 -3.990 -2.441 -1.302 1.00 0.00 N ATOM 974 CA LEU A 58 -4.262 -1.415 -2.351 1.00 0.00 C ATOM 975 C LEU A 58 -4.001 -0.026 -1.769 1.00 0.00 C ATOM 976 O LEU A 58 -3.397 0.820 -2.395 1.00 0.00 O ATOM 977 CB LEU A 58 -5.720 -1.514 -2.812 1.00 0.00 C ATOM 978 CG LEU A 58 -6.139 -2.984 -2.885 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.525 -3.090 -3.526 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.129 -3.764 -3.731 1.00 0.00 C ATOM 0 H LEU A 58 -4.794 -3.004 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.608 -1.586 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.368 -0.975 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.835 -1.044 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.170 -3.400 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.823 -4.137 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.247 -2.537 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.494 -2.672 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.429 -4.811 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.097 -3.346 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.141 -3.691 -3.277 1.00 0.00 H new ATOM 992 N ALA A 59 -4.440 0.212 -0.566 1.00 0.00 N ATOM 993 CA ALA A 59 -4.199 1.539 0.058 1.00 0.00 C ATOM 994 C ALA A 59 -2.691 1.760 0.166 1.00 0.00 C ATOM 995 O ALA A 59 -2.194 2.853 -0.014 1.00 0.00 O ATOM 996 CB ALA A 59 -4.823 1.574 1.454 1.00 0.00 C ATOM 0 H ALA A 59 -4.954 -0.454 0.010 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.649 2.323 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.644 2.549 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.896 1.401 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.374 0.797 2.073 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.963 0.720 0.470 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.484 0.851 0.607 1.00 0.00 C ATOM 1004 C ALA A 60 0.141 1.293 -0.721 1.00 0.00 C ATOM 1005 O ALA A 60 0.870 2.262 -0.775 1.00 0.00 O ATOM 1006 CB ALA A 60 0.107 -0.499 1.019 1.00 0.00 C ATOM 0 H ALA A 60 -2.330 -0.218 0.630 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.266 1.602 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.188 -0.407 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.322 -0.808 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.124 -1.245 0.258 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.120 0.589 -1.790 1.00 0.00 N ATOM 1013 CA ILE A 61 0.489 0.978 -3.097 1.00 0.00 C ATOM 1014 C ILE A 61 -0.055 2.342 -3.541 1.00 0.00 C ATOM 1015 O ILE A 61 0.685 3.210 -3.966 1.00 0.00 O ATOM 1016 CB ILE A 61 0.174 -0.096 -4.153 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.225 -0.047 -5.264 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.211 0.139 -4.764 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.887 -1.090 -6.333 1.00 0.00 C ATOM 0 H ILE A 61 -0.724 -0.233 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 61 1.570 1.056 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 61 0.188 -1.072 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.254 0.948 -5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.215 -0.241 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.416 -0.630 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.967 0.095 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.237 1.120 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.635 -1.055 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.880 -2.083 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.096 -0.875 -6.753 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.342 2.538 -3.449 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.930 3.842 -3.868 1.00 0.00 C ATOM 1033 C CYS A 62 -1.208 4.989 -3.159 1.00 0.00 C ATOM 1034 O CYS A 62 -0.549 5.803 -3.779 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.415 3.871 -3.501 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.332 2.771 -4.607 1.00 0.00 S ATOM 0 H CYS A 62 -2.012 1.852 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.816 3.958 -4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.551 3.559 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.800 4.888 -3.580 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.303 1.560 -4.136 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.330 5.068 -1.863 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.653 6.171 -1.129 1.00 0.00 C ATOM 1044 C ARG A 63 0.852 6.108 -1.375 1.00 0.00 C ATOM 1045 O ARG A 63 1.481 7.116 -1.622 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.939 6.059 0.364 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.167 4.875 0.956 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.787 4.477 2.298 1.00 0.00 C ATOM 1049 NE ARG A 63 0.155 3.588 3.036 1.00 0.00 N ATOM 1050 CZ ARG A 63 -0.290 2.803 3.980 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -1.560 2.794 4.276 1.00 0.00 N ATOM 1052 NH2 ARG A 63 0.537 2.028 4.626 1.00 0.00 N ATOM 0 H ARG A 63 -1.866 4.421 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.036 7.125 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.650 6.981 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.008 5.926 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.193 4.030 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.881 5.143 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.003 5.367 2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.735 3.965 2.135 1.00 0.00 H new ATOM 0 HE ARG A 63 1.148 3.593 2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.206 3.400 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.907 2.181 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.530 2.036 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.190 1.414 5.364 1.00 0.00 H new ATOM 1066 N LYS A 64 1.441 4.939 -1.326 1.00 0.00 N ATOM 1067 CA LYS A 64 2.907 4.851 -1.582 1.00 0.00 C ATOM 1068 C LYS A 64 3.214 5.741 -2.780 1.00 0.00 C ATOM 1069 O LYS A 64 4.201 6.448 -2.818 1.00 0.00 O ATOM 1070 CB LYS A 64 3.308 3.406 -1.895 1.00 0.00 C ATOM 1071 CG LYS A 64 4.802 3.350 -2.247 1.00 0.00 C ATOM 1072 CD LYS A 64 5.418 2.056 -1.700 1.00 0.00 C ATOM 1073 CE LYS A 64 6.912 2.009 -2.044 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.629 1.184 -1.032 1.00 0.00 N ATOM 0 H LYS A 64 0.976 4.054 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 64 3.465 5.173 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.102 2.767 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.714 3.025 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.932 3.396 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.316 4.214 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.282 2.005 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.909 1.191 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.054 1.587 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.323 3.018 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.642 1.152 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.504 1.605 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.243 0.218 -1.034 1.00 0.00 H new ATOM 1088 N ALA A 65 2.341 5.725 -3.747 1.00 0.00 N ATOM 1089 CA ALA A 65 2.531 6.584 -4.941 1.00 0.00 C ATOM 1090 C ALA A 65 2.248 8.035 -4.546 1.00 0.00 C ATOM 1091 O ALA A 65 2.917 8.948 -4.986 1.00 0.00 O ATOM 1092 CB ALA A 65 1.563 6.152 -6.044 1.00 0.00 C ATOM 0 H ALA A 65 1.499 5.149 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 65 3.552 6.490 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.704 6.785 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.756 5.113 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.538 6.250 -5.687 1.00 0.00 H new ATOM 1098 N ALA A 66 1.258 8.257 -3.715 1.00 0.00 N ATOM 1099 CA ALA A 66 0.942 9.654 -3.298 1.00 0.00 C ATOM 1100 C ALA A 66 2.165 10.273 -2.615 1.00 0.00 C ATOM 1101 O ALA A 66 2.487 11.427 -2.822 1.00 0.00 O ATOM 1102 CB ALA A 66 -0.236 9.641 -2.322 1.00 0.00 C ATOM 0 H ALA A 66 0.661 7.535 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 66 0.680 10.244 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.467 10.662 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.107 9.202 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.025 9.050 -1.444 1.00 0.00 H new ATOM 1108 N LYS A 67 2.849 9.516 -1.801 1.00 0.00 N ATOM 1109 CA LYS A 67 4.050 10.057 -1.102 1.00 0.00 C ATOM 1110 C LYS A 67 5.070 10.533 -2.137 1.00 0.00 C ATOM 1111 O LYS A 67 5.713 11.549 -1.970 1.00 0.00 O ATOM 1112 CB LYS A 67 4.675 8.957 -0.239 1.00 0.00 C ATOM 1113 CG LYS A 67 3.720 8.593 0.907 1.00 0.00 C ATOM 1114 CD LYS A 67 3.972 9.511 2.112 1.00 0.00 C ATOM 1115 CE LYS A 67 5.087 8.928 2.984 1.00 0.00 C ATOM 1116 NZ LYS A 67 5.402 9.875 4.092 1.00 0.00 N ATOM 0 H LYS A 67 2.627 8.543 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 67 3.757 10.894 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.880 8.076 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.630 9.296 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.686 8.690 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.865 7.552 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.249 10.508 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.058 9.618 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.778 7.965 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.977 8.748 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.160 9.478 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.714 10.784 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.552 10.025 4.673 1.00 0.00 H new ATOM 1130 N ALA A 68 5.223 9.802 -3.204 1.00 0.00 N ATOM 1131 CA ALA A 68 6.202 10.206 -4.252 1.00 0.00 C ATOM 1132 C ALA A 68 5.851 11.601 -4.775 1.00 0.00 C ATOM 1133 O ALA A 68 6.522 12.138 -5.633 1.00 0.00 O ATOM 1134 CB ALA A 68 6.156 9.201 -5.406 1.00 0.00 C ATOM 0 H ALA A 68 4.712 8.941 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 68 7.204 10.224 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.872 9.495 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.410 8.208 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.153 9.183 -5.833 1.00 0.00 H new ATOM 1140 N ILE A 69 4.804 12.194 -4.266 1.00 0.00 N ATOM 1141 CA ILE A 69 4.419 13.553 -4.737 1.00 0.00 C ATOM 1142 C ILE A 69 5.656 14.454 -4.765 1.00 0.00 C ATOM 1143 O ILE A 69 5.719 15.415 -5.507 1.00 0.00 O ATOM 1144 CB ILE A 69 3.372 14.148 -3.792 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.080 15.602 -4.202 1.00 0.00 C ATOM 1146 CG2 ILE A 69 3.897 14.108 -2.353 1.00 0.00 C ATOM 1147 CD1 ILE A 69 1.578 15.872 -4.106 1.00 0.00 C ATOM 0 H ILE A 69 4.201 11.796 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 69 3.999 13.482 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 69 2.453 13.566 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.625 16.289 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.427 15.780 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.150 14.532 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.097 13.075 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.817 14.688 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.374 16.903 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.043 15.194 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.244 15.712 -3.081 1.00 0.00 H new ATOM 1239 N LYS A 75 1.334 16.495 -12.316 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.105 16.170 -12.537 1.00 0.00 C ATOM 1241 C LYS A 75 -0.477 14.910 -11.749 1.00 0.00 C ATOM 1242 O LYS A 75 0.374 14.218 -11.228 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.355 15.930 -14.031 1.00 0.00 C ATOM 1244 CG LYS A 75 0.811 15.135 -14.628 1.00 0.00 C ATOM 1245 CD LYS A 75 0.358 14.453 -15.920 1.00 0.00 C ATOM 1246 CE LYS A 75 1.573 13.864 -16.639 1.00 0.00 C ATOM 1247 NZ LYS A 75 2.202 12.820 -15.781 1.00 0.00 N ATOM 0 HA LYS A 75 -0.718 17.004 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.289 15.385 -14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.462 16.883 -14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.651 15.799 -14.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.159 14.389 -13.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.362 13.666 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.147 15.172 -16.566 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.270 13.432 -17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.294 14.651 -16.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.869 12.260 -16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.712 13.276 -14.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.464 12.195 -15.397 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.746 14.609 -11.663 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.183 13.395 -10.913 1.00 0.00 C ATOM 1263 C ARG A 76 -1.300 12.206 -11.304 1.00 0.00 C ATOM 1264 O ARG A 76 -0.818 12.118 -12.416 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.641 13.084 -11.260 1.00 0.00 C ATOM 1266 CG ARG A 76 -4.436 14.389 -11.340 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.934 14.080 -11.320 1.00 0.00 C ATOM 1268 NE ARG A 76 -6.696 15.298 -11.716 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.734 15.666 -12.967 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -6.107 14.966 -13.872 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -7.398 16.735 -13.313 1.00 0.00 N ATOM 0 H ARG A 76 -2.501 15.153 -12.081 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.092 13.576 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.695 12.554 -12.211 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.074 12.428 -10.505 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.177 15.036 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.178 14.928 -12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.157 13.260 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.236 13.756 -10.324 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.188 15.844 -11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.587 14.131 -13.601 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.137 15.254 -14.850 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.887 17.283 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.428 17.023 -14.291 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.083 11.289 -10.399 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.232 10.109 -10.723 1.00 0.00 C ATOM 1287 C ILE A 77 -1.099 8.999 -11.319 1.00 0.00 C ATOM 1288 O ILE A 77 -2.001 8.490 -10.682 1.00 0.00 O ATOM 1289 CB ILE A 77 0.444 9.596 -9.449 1.00 0.00 C ATOM 1290 CG1 ILE A 77 1.121 10.766 -8.729 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.495 8.548 -9.818 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.857 10.249 -7.491 1.00 0.00 C ATOM 0 H ILE A 77 -1.458 11.307 -9.451 1.00 0.00 H new ATOM 0 HA ILE A 77 0.530 10.404 -11.445 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.302 9.147 -8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.822 11.263 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.377 11.508 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.977 8.182 -8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.015 7.717 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.243 8.997 -10.471 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.338 11.082 -6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.145 9.772 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.612 9.524 -7.793 1.00 0.00 H new ATOM 1304 N THR A 78 -0.832 8.618 -12.540 1.00 0.00 N ATOM 1305 CA THR A 78 -1.640 7.541 -13.179 1.00 0.00 C ATOM 1306 C THR A 78 -1.075 6.176 -12.776 1.00 0.00 C ATOM 1307 O THR A 78 0.122 5.971 -12.766 1.00 0.00 O ATOM 1308 CB THR A 78 -1.578 7.690 -14.702 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.868 9.036 -15.054 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.603 6.759 -15.352 1.00 0.00 C ATOM 0 H THR A 78 -0.089 9.006 -13.121 1.00 0.00 H new ATOM 0 HA THR A 78 -2.676 7.619 -12.850 1.00 0.00 H new ATOM 0 HB THR A 78 -0.580 7.427 -15.053 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.827 9.135 -16.028 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.557 6.867 -16.436 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.381 5.727 -15.080 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.603 7.019 -15.004 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.928 5.242 -12.442 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.443 3.887 -12.037 1.00 0.00 C ATOM 1320 C VAL A 79 -2.004 2.832 -12.993 1.00 0.00 C ATOM 1321 O VAL A 79 -3.172 2.500 -12.949 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.914 3.584 -10.614 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.298 2.266 -10.143 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.475 4.713 -9.679 1.00 0.00 C ATOM 0 H VAL A 79 -2.941 5.359 -12.432 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.354 3.867 -12.075 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.001 3.503 -10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.633 2.050 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.610 1.461 -10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.211 2.347 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.811 4.497 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.388 4.794 -9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.913 5.653 -10.013 1.00 0.00 H new ATOM 1334 N THR A 80 -1.175 2.300 -13.852 1.00 0.00 N ATOM 1335 CA THR A 80 -1.644 1.258 -14.814 1.00 0.00 C ATOM 1336 C THR A 80 -0.865 -0.035 -14.567 1.00 0.00 C ATOM 1337 O THR A 80 0.108 -0.052 -13.842 1.00 0.00 O ATOM 1338 CB THR A 80 -1.394 1.738 -16.246 1.00 0.00 C ATOM 1339 OG1 THR A 80 -0.021 2.071 -16.400 1.00 0.00 O ATOM 1340 CG2 THR A 80 -2.254 2.969 -16.532 1.00 0.00 C ATOM 0 H THR A 80 -0.188 2.544 -13.929 1.00 0.00 H new ATOM 0 HA THR A 80 -2.710 1.079 -14.674 1.00 0.00 H new ATOM 0 HB THR A 80 -1.657 0.944 -16.946 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.190 2.854 -15.849 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.075 3.309 -17.552 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.307 2.712 -16.415 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.995 3.764 -15.833 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.282 -1.117 -15.166 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.557 -2.404 -14.963 1.00 0.00 C ATOM 1350 C GLU A 81 0.947 -2.166 -15.114 1.00 0.00 C ATOM 1351 O GLU A 81 1.755 -2.812 -14.478 1.00 0.00 O ATOM 1352 CB GLU A 81 -1.024 -3.423 -16.004 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.823 -2.849 -17.408 1.00 0.00 C ATOM 1354 CD GLU A 81 -1.524 -3.746 -18.430 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -2.347 -4.547 -18.020 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -1.226 -3.615 -19.606 1.00 0.00 O ATOM 0 H GLU A 81 -2.091 -1.166 -15.785 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.766 -2.789 -13.965 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.464 -4.352 -15.896 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.075 -3.665 -15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.225 -1.837 -17.460 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.241 -2.782 -17.636 1.00 0.00 H new ATOM 1363 N LYS A 82 1.327 -1.234 -15.947 1.00 0.00 N ATOM 1364 CA LYS A 82 2.777 -0.946 -16.132 1.00 0.00 C ATOM 1365 C LYS A 82 3.311 -0.262 -14.873 1.00 0.00 C ATOM 1366 O LYS A 82 4.123 -0.809 -14.153 1.00 0.00 O ATOM 1367 CB LYS A 82 2.960 -0.021 -17.340 1.00 0.00 C ATOM 1368 CG LYS A 82 4.407 -0.101 -17.843 1.00 0.00 C ATOM 1369 CD LYS A 82 4.590 -1.346 -18.720 1.00 0.00 C ATOM 1370 CE LYS A 82 5.850 -1.186 -19.576 1.00 0.00 C ATOM 1371 NZ LYS A 82 6.897 -0.474 -18.793 1.00 0.00 N ATOM 0 H LYS A 82 0.696 -0.661 -16.506 1.00 0.00 H new ATOM 0 HA LYS A 82 3.323 -1.874 -16.304 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.273 -0.307 -18.136 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.718 1.005 -17.064 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.652 0.795 -18.413 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.093 -0.138 -16.997 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.672 -2.235 -18.095 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.718 -1.485 -19.359 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.217 -2.164 -19.888 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.617 -0.628 -20.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.832 -0.670 -19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.714 0.550 -18.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.877 -0.804 -17.807 1.00 0.00 H new ATOM 1385 N ASN A 83 2.846 0.927 -14.594 1.00 0.00 N ATOM 1386 CA ASN A 83 3.309 1.646 -13.372 1.00 0.00 C ATOM 1387 C ASN A 83 3.286 0.679 -12.187 1.00 0.00 C ATOM 1388 O ASN A 83 4.148 0.704 -11.332 1.00 0.00 O ATOM 1389 CB ASN A 83 2.379 2.827 -13.091 1.00 0.00 C ATOM 1390 CG ASN A 83 2.120 3.592 -14.390 1.00 0.00 C ATOM 1391 OD1 ASN A 83 0.984 3.807 -14.766 1.00 0.00 O ATOM 1392 ND2 ASN A 83 3.132 4.015 -15.097 1.00 0.00 N ATOM 0 H ASN A 83 2.164 1.432 -15.161 1.00 0.00 H new ATOM 0 HA ASN A 83 4.323 2.017 -13.523 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.438 2.471 -12.672 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.828 3.489 -12.350 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.970 4.526 -15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.085 3.835 -14.782 1.00 0.00 H new ATOM 1399 N LEU A 84 2.294 -0.170 -12.137 1.00 0.00 N ATOM 1400 CA LEU A 84 2.186 -1.150 -11.016 1.00 0.00 C ATOM 1401 C LEU A 84 3.579 -1.679 -10.658 1.00 0.00 C ATOM 1402 O LEU A 84 3.941 -1.769 -9.500 1.00 0.00 O ATOM 1403 CB LEU A 84 1.293 -2.316 -11.465 1.00 0.00 C ATOM 1404 CG LEU A 84 0.383 -2.767 -10.313 1.00 0.00 C ATOM 1405 CD1 LEU A 84 -0.658 -1.677 -10.008 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -0.330 -4.075 -10.703 1.00 0.00 C ATOM 0 H LEU A 84 1.548 -0.227 -12.830 1.00 0.00 H new ATOM 0 HA LEU A 84 1.754 -0.666 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.687 -2.011 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.912 -3.150 -11.796 1.00 0.00 H new ATOM 0 HG LEU A 84 0.988 -2.936 -9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.299 -2.005 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.148 -0.757 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.265 -1.496 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.976 -4.395 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.931 -3.909 -11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.412 -4.848 -10.903 1.00 0.00 H new ATOM 1418 N GLN A 85 4.361 -2.029 -11.642 1.00 0.00 N ATOM 1419 CA GLN A 85 5.727 -2.548 -11.359 1.00 0.00 C ATOM 1420 C GLN A 85 6.564 -1.450 -10.700 1.00 0.00 C ATOM 1421 O GLN A 85 7.329 -1.700 -9.790 1.00 0.00 O ATOM 1422 CB GLN A 85 6.391 -2.976 -12.668 1.00 0.00 C ATOM 1423 CG GLN A 85 5.720 -4.246 -13.192 1.00 0.00 C ATOM 1424 CD GLN A 85 6.485 -4.762 -14.413 1.00 0.00 C ATOM 1425 OE1 GLN A 85 6.534 -5.951 -14.656 1.00 0.00 O ATOM 1426 NE2 GLN A 85 7.091 -3.910 -15.194 1.00 0.00 N ATOM 0 H GLN A 85 4.112 -1.978 -12.630 1.00 0.00 H new ATOM 0 HA GLN A 85 5.658 -3.405 -10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.310 -2.178 -13.407 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.454 -3.154 -12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.701 -5.008 -12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.684 -4.039 -13.460 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.049 -2.912 -14.989 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.606 -4.242 -16.009 1.00 0.00 H new ATOM 1435 N ASP A 86 6.427 -0.234 -11.155 1.00 0.00 N ATOM 1436 CA ASP A 86 7.216 0.879 -10.557 1.00 0.00 C ATOM 1437 C ASP A 86 6.888 1.000 -9.068 1.00 0.00 C ATOM 1438 O ASP A 86 7.753 1.239 -8.250 1.00 0.00 O ATOM 1439 CB ASP A 86 6.871 2.191 -11.265 1.00 0.00 C ATOM 1440 CG ASP A 86 7.303 2.110 -12.729 1.00 0.00 C ATOM 1441 OD1 ASP A 86 6.617 1.450 -13.493 1.00 0.00 O ATOM 1442 OD2 ASP A 86 8.313 2.709 -13.063 1.00 0.00 O ATOM 0 H ASP A 86 5.803 0.036 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 86 8.279 0.671 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.799 2.380 -11.201 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.372 3.025 -10.773 1.00 0.00 H new ATOM 1447 N PHE A 87 5.644 0.838 -8.707 1.00 0.00 N ATOM 1448 CA PHE A 87 5.268 0.947 -7.268 1.00 0.00 C ATOM 1449 C PHE A 87 5.607 -0.361 -6.554 1.00 0.00 C ATOM 1450 O PHE A 87 6.534 -0.433 -5.770 1.00 0.00 O ATOM 1451 CB PHE A 87 3.767 1.210 -7.144 1.00 0.00 C ATOM 1452 CG PHE A 87 3.419 2.524 -7.804 1.00 0.00 C ATOM 1453 CD1 PHE A 87 3.929 3.723 -7.289 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.583 2.545 -8.928 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.604 4.941 -7.898 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.258 3.762 -9.536 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.768 4.960 -9.021 1.00 0.00 C ATOM 0 H PHE A 87 4.874 0.635 -9.344 1.00 0.00 H new ATOM 0 HA PHE A 87 5.820 1.770 -6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.207 0.399 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.479 1.233 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.573 3.708 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.189 1.621 -9.325 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.998 5.865 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.614 3.778 -10.403 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.516 5.900 -9.490 1.00 0.00 H new ATOM 1467 N ILE A 88 4.857 -1.397 -6.814 1.00 0.00 N ATOM 1468 CA ILE A 88 5.126 -2.702 -6.149 1.00 0.00 C ATOM 1469 C ILE A 88 6.592 -3.092 -6.371 1.00 0.00 C ATOM 1470 O ILE A 88 7.277 -3.501 -5.455 1.00 0.00 O ATOM 1471 CB ILE A 88 4.181 -3.762 -6.734 1.00 0.00 C ATOM 1472 CG1 ILE A 88 2.988 -3.963 -5.787 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.909 -5.098 -6.920 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.830 -4.615 -6.546 1.00 0.00 C ATOM 0 H ILE A 88 4.068 -1.395 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 88 4.949 -2.627 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 88 3.833 -3.415 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.282 -4.589 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.672 -3.004 -5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.220 -5.833 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.749 -4.963 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.276 -5.449 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.986 -4.756 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.530 -3.972 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.149 -5.582 -6.935 1.00 0.00 H new ATOM 1486 N GLY A 89 7.077 -2.967 -7.579 1.00 0.00 N ATOM 1487 CA GLY A 89 8.500 -3.327 -7.860 1.00 0.00 C ATOM 1488 C GLY A 89 8.553 -4.543 -8.785 1.00 0.00 C ATOM 1489 O GLY A 89 9.051 -4.472 -9.892 1.00 0.00 O ATOM 0 H GLY A 89 6.549 -2.631 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.014 -2.484 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.021 -3.545 -6.928 1.00 0.00 H new ATOM 1493 N LYS A 90 8.050 -5.664 -8.343 1.00 0.00 N ATOM 1494 CA LYS A 90 8.080 -6.883 -9.201 1.00 0.00 C ATOM 1495 C LYS A 90 7.002 -7.866 -8.740 1.00 0.00 C ATOM 1496 O LYS A 90 6.542 -7.816 -7.617 1.00 0.00 O ATOM 1497 CB LYS A 90 9.457 -7.544 -9.090 1.00 0.00 C ATOM 1498 CG LYS A 90 9.515 -8.764 -10.013 1.00 0.00 C ATOM 1499 CD LYS A 90 10.965 -9.235 -10.147 1.00 0.00 C ATOM 1500 CE LYS A 90 11.478 -9.722 -8.790 1.00 0.00 C ATOM 1501 NZ LYS A 90 12.666 -10.597 -8.993 1.00 0.00 N ATOM 0 H LYS A 90 7.620 -5.788 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 90 7.890 -6.603 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.237 -6.832 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.645 -7.845 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.896 -9.567 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.112 -8.511 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.030 -10.039 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.590 -8.420 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.743 -8.871 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.694 -10.271 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.015 -10.928 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.399 -11.415 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.415 -10.059 -9.474 1.00 0.00 H new ATOM 1515 N ARG A 91 6.597 -8.762 -9.600 1.00 0.00 N ATOM 1516 CA ARG A 91 5.551 -9.750 -9.213 1.00 0.00 C ATOM 1517 C ARG A 91 6.205 -10.904 -8.448 1.00 0.00 C ATOM 1518 O ARG A 91 7.336 -11.266 -8.704 1.00 0.00 O ATOM 1519 CB ARG A 91 4.867 -10.289 -10.475 1.00 0.00 C ATOM 1520 CG ARG A 91 4.769 -9.175 -11.522 1.00 0.00 C ATOM 1521 CD ARG A 91 3.920 -9.651 -12.704 1.00 0.00 C ATOM 1522 NE ARG A 91 4.300 -8.892 -13.928 1.00 0.00 N ATOM 1523 CZ ARG A 91 3.995 -7.628 -14.034 1.00 0.00 C ATOM 1524 NH1 ARG A 91 3.358 -7.026 -13.066 1.00 0.00 N ATOM 1525 NH2 ARG A 91 4.326 -6.963 -15.108 1.00 0.00 N ATOM 0 H ARG A 91 6.946 -8.852 -10.554 1.00 0.00 H new ATOM 0 HA ARG A 91 4.807 -9.269 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.432 -11.130 -10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.872 -10.661 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.325 -8.284 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.765 -8.897 -11.866 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.068 -10.719 -12.865 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.862 -9.505 -12.487 1.00 0.00 H new ATOM 0 HE ARG A 91 4.799 -9.361 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.099 -7.544 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.120 -6.038 -13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.823 -7.432 -15.865 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.087 -5.975 -15.190 1.00 0.00 H new ATOM 1539 N ILE A 92 5.504 -11.485 -7.510 1.00 0.00 N ATOM 1540 CA ILE A 92 6.087 -12.614 -6.727 1.00 0.00 C ATOM 1541 C ILE A 92 5.602 -13.947 -7.303 1.00 0.00 C ATOM 1542 O ILE A 92 6.280 -14.951 -7.220 1.00 0.00 O ATOM 1543 CB ILE A 92 5.645 -12.503 -5.267 1.00 0.00 C ATOM 1544 CG1 ILE A 92 6.089 -11.149 -4.706 1.00 0.00 C ATOM 1545 CG2 ILE A 92 6.285 -13.629 -4.452 1.00 0.00 C ATOM 1546 CD1 ILE A 92 5.497 -10.956 -3.309 1.00 0.00 C ATOM 0 H ILE A 92 4.552 -11.226 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 92 7.174 -12.569 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 92 4.560 -12.585 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 92 7.177 -11.101 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.762 -10.345 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.970 -13.550 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.971 -14.593 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.370 -13.548 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.813 -9.992 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.409 -10.985 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.846 -11.753 -2.652 1.00 0.00 H new ATOM 1558 N PHE A 93 4.433 -13.967 -7.885 1.00 0.00 N ATOM 1559 CA PHE A 93 3.905 -15.237 -8.461 1.00 0.00 C ATOM 1560 C PHE A 93 4.225 -15.300 -9.957 1.00 0.00 C ATOM 1561 O PHE A 93 4.132 -14.315 -10.663 1.00 0.00 O ATOM 1562 CB PHE A 93 2.389 -15.292 -8.266 1.00 0.00 C ATOM 1563 CG PHE A 93 2.071 -15.307 -6.789 1.00 0.00 C ATOM 1564 CD1 PHE A 93 2.231 -14.143 -6.028 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.617 -16.483 -6.181 1.00 0.00 C ATOM 1566 CE1 PHE A 93 1.937 -14.155 -4.659 1.00 0.00 C ATOM 1567 CE2 PHE A 93 1.322 -16.495 -4.812 1.00 0.00 C ATOM 1568 CZ PHE A 93 1.483 -15.331 -4.052 1.00 0.00 C ATOM 0 H PHE A 93 3.820 -13.158 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 93 4.372 -16.082 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.919 -14.431 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.982 -16.182 -8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.581 -13.235 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.494 -17.381 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.061 -13.257 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.970 -17.402 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.257 -15.340 -2.996 1.00 0.00 H new ATOM 1578 N ARG A 94 4.599 -16.453 -10.445 1.00 0.00 N ATOM 1579 CA ARG A 94 4.921 -16.589 -11.895 1.00 0.00 C ATOM 1580 C ARG A 94 3.693 -17.125 -12.635 1.00 0.00 C ATOM 1581 O ARG A 94 3.660 -18.264 -13.058 1.00 0.00 O ATOM 1582 CB ARG A 94 6.092 -17.564 -12.069 1.00 0.00 C ATOM 1583 CG ARG A 94 7.424 -16.828 -11.856 1.00 0.00 C ATOM 1584 CD ARG A 94 7.987 -16.372 -13.207 1.00 0.00 C ATOM 1585 NE ARG A 94 6.985 -15.515 -13.902 1.00 0.00 N ATOM 1586 CZ ARG A 94 6.930 -14.234 -13.650 1.00 0.00 C ATOM 1587 NH1 ARG A 94 7.749 -13.703 -12.782 1.00 0.00 N ATOM 1588 NH2 ARG A 94 6.056 -13.484 -14.265 1.00 0.00 N ATOM 0 H ARG A 94 4.696 -17.309 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 94 5.198 -15.617 -12.303 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.002 -18.384 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.065 -18.003 -13.066 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.274 -15.967 -11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.137 -17.484 -11.357 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.914 -15.818 -13.058 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.229 -17.238 -13.823 1.00 0.00 H new ATOM 0 HE ARG A 94 6.341 -15.929 -14.576 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.432 -14.288 -12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.706 -12.703 -12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.416 -13.898 -14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.013 -12.484 -14.068 1.00 0.00 H new ATOM 1602 N TYR A 95 2.682 -16.315 -12.794 1.00 0.00 N ATOM 1603 CA TYR A 95 1.458 -16.781 -13.503 1.00 0.00 C ATOM 1604 C TYR A 95 1.838 -17.305 -14.889 1.00 0.00 C ATOM 1605 O TYR A 95 1.270 -18.262 -15.378 1.00 0.00 O ATOM 1606 CB TYR A 95 0.480 -15.614 -13.649 1.00 0.00 C ATOM 1607 CG TYR A 95 -0.882 -16.141 -14.033 1.00 0.00 C ATOM 1608 CD1 TYR A 95 -1.688 -16.761 -13.072 1.00 0.00 C ATOM 1609 CD2 TYR A 95 -1.338 -16.013 -15.352 1.00 0.00 C ATOM 1610 CE1 TYR A 95 -2.951 -17.251 -13.426 1.00 0.00 C ATOM 1611 CE2 TYR A 95 -2.601 -16.503 -15.707 1.00 0.00 C ATOM 1612 CZ TYR A 95 -3.407 -17.122 -14.744 1.00 0.00 C ATOM 1613 OH TYR A 95 -4.652 -17.604 -15.093 1.00 0.00 O ATOM 0 H TYR A 95 2.651 -15.351 -12.463 1.00 0.00 H new ATOM 0 HA TYR A 95 0.988 -17.580 -12.930 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.416 -15.060 -12.712 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.839 -14.918 -14.407 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.336 -16.862 -12.056 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.715 -15.536 -16.095 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.573 -17.728 -12.683 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.953 -16.403 -16.723 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.814 -17.433 -16.044 1.00 0.00 H new