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 20 GLN : amide:sc= -8.88! C(o=-15!,f=-16!) USER MOD Set 1.2: A 62 CYS SG : rot 87:sc= -6.13! USER MOD Single : A 4 THR OG1 : rot -64:sc= 0.919 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= -0.25 (180deg=-0.961) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -3.5! C(o=-9!,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= -1.91 (180deg=-3.1!) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.0154 (180deg=-0.567) USER MOD Single : A 24 HIS : no HD1:sc= -13.4! C(o=-13!,f=-22!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.308 (180deg=-1.05) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 46:sc= 0.34 USER MOD Single : A 30 ASN : amide:sc= -3.72 K(o=-3.7,f=-10!) USER MOD Single : A 32 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.5) USER MOD Single : A 36 GLN : amide:sc= -0.415 K(o=-0.41,f=-1.2) USER MOD Single : A 44 TYR OH : rot -107:sc= 1.05 USER MOD Single : A 45 TYR OH : rot -13:sc= -1.41 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0754) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.0405 (180deg=-0.589) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= -0.0493 (180deg=-0.49) USER MOD Single : A 83 ASN : amide:sc= -0.636! C(o=-0.64!,f=-5!) USER MOD Single : A 85 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.9) 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 -17.818 -13.001 0.044 1.00 0.00 N ATOM 40 CA THR A 4 -17.456 -14.050 -0.953 1.00 0.00 C ATOM 41 C THR A 4 -16.833 -13.385 -2.183 1.00 0.00 C ATOM 42 O THR A 4 -16.693 -12.179 -2.242 1.00 0.00 O ATOM 43 CB THR A 4 -18.714 -14.815 -1.371 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.683 -13.897 -1.860 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.283 -15.567 -0.166 1.00 0.00 C ATOM 0 HA THR A 4 -16.741 -14.743 -0.509 1.00 0.00 H new ATOM 0 HB THR A 4 -18.461 -15.530 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.957 -13.295 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.179 -16.111 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.539 -16.271 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.537 -14.856 0.620 1.00 0.00 H new ATOM 53 N GLU A 5 -16.458 -14.159 -3.163 1.00 0.00 N ATOM 54 CA GLU A 5 -15.844 -13.568 -4.386 1.00 0.00 C ATOM 55 C GLU A 5 -16.724 -12.425 -4.899 1.00 0.00 C ATOM 56 O GLU A 5 -16.246 -11.348 -5.198 1.00 0.00 O ATOM 57 CB GLU A 5 -15.726 -14.646 -5.467 1.00 0.00 C ATOM 58 CG GLU A 5 -14.937 -15.836 -4.919 1.00 0.00 C ATOM 59 CD GLU A 5 -15.054 -17.016 -5.885 1.00 0.00 C ATOM 60 OE1 GLU A 5 -14.389 -16.987 -6.908 1.00 0.00 O ATOM 61 OE2 GLU A 5 -15.806 -17.929 -5.587 1.00 0.00 O ATOM 0 H GLU A 5 -16.550 -15.175 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.853 -13.182 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.718 -14.969 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.227 -14.240 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.890 -15.562 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.318 -16.117 -3.937 1.00 0.00 H new ATOM 68 N ILE A 6 -18.005 -12.650 -5.005 1.00 0.00 N ATOM 69 CA ILE A 6 -18.911 -11.575 -5.501 1.00 0.00 C ATOM 70 C ILE A 6 -18.733 -10.322 -4.639 1.00 0.00 C ATOM 71 O ILE A 6 -18.440 -9.253 -5.136 1.00 0.00 O ATOM 72 CB ILE A 6 -20.365 -12.056 -5.423 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.615 -13.110 -6.509 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.311 -10.873 -5.642 1.00 0.00 C ATOM 75 CD1 ILE A 6 -19.802 -14.373 -6.209 1.00 0.00 C ATOM 0 H ILE A 6 -18.463 -13.530 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.666 -11.338 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.547 -12.491 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -21.677 -13.353 -6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.337 -12.712 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.344 -11.218 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.137 -10.121 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.127 -10.437 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -19.985 -15.116 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -18.741 -14.126 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -20.101 -14.777 -5.242 1.00 0.00 H new ATOM 87 N GLU A 7 -18.905 -10.447 -3.351 1.00 0.00 N ATOM 88 CA GLU A 7 -18.740 -9.263 -2.462 1.00 0.00 C ATOM 89 C GLU A 7 -17.441 -8.541 -2.826 1.00 0.00 C ATOM 90 O GLU A 7 -17.452 -7.423 -3.301 1.00 0.00 O ATOM 91 CB GLU A 7 -18.681 -9.725 -1.004 1.00 0.00 C ATOM 92 CG GLU A 7 -20.100 -9.972 -0.486 1.00 0.00 C ATOM 93 CD GLU A 7 -20.759 -11.081 -1.309 1.00 0.00 C ATOM 94 OE1 GLU A 7 -21.118 -10.817 -2.444 1.00 0.00 O ATOM 95 OE2 GLU A 7 -20.894 -12.176 -0.788 1.00 0.00 O ATOM 0 H GLU A 7 -19.152 -11.316 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.583 -8.585 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.090 -10.637 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.186 -8.971 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.070 -10.255 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.688 -9.056 -0.554 1.00 0.00 H new ATOM 102 N LYS A 8 -16.321 -9.174 -2.612 1.00 0.00 N ATOM 103 CA LYS A 8 -15.021 -8.531 -2.948 1.00 0.00 C ATOM 104 C LYS A 8 -15.123 -7.806 -4.290 1.00 0.00 C ATOM 105 O LYS A 8 -14.577 -6.741 -4.468 1.00 0.00 O ATOM 106 CB LYS A 8 -13.933 -9.604 -3.036 1.00 0.00 C ATOM 107 CG LYS A 8 -13.778 -10.294 -1.673 1.00 0.00 C ATOM 108 CD LYS A 8 -12.308 -10.642 -1.432 1.00 0.00 C ATOM 109 CE LYS A 8 -11.870 -11.725 -2.419 1.00 0.00 C ATOM 110 NZ LYS A 8 -10.419 -12.011 -2.233 1.00 0.00 N ATOM 0 H LYS A 8 -16.251 -10.112 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.770 -7.809 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.193 -10.338 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.987 -9.153 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.141 -9.639 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.385 -11.199 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.689 -9.753 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.169 -10.990 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.453 -12.632 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.059 -11.398 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.121 -12.747 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.870 -11.145 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.252 -12.341 -1.261 1.00 0.00 H new ATOM 124 N LEU A 9 -15.804 -8.376 -5.242 1.00 0.00 N ATOM 125 CA LEU A 9 -15.915 -7.713 -6.572 1.00 0.00 C ATOM 126 C LEU A 9 -16.642 -6.367 -6.451 1.00 0.00 C ATOM 127 O LEU A 9 -16.099 -5.329 -6.775 1.00 0.00 O ATOM 128 CB LEU A 9 -16.686 -8.626 -7.530 1.00 0.00 C ATOM 129 CG LEU A 9 -16.504 -8.141 -8.975 1.00 0.00 C ATOM 130 CD1 LEU A 9 -15.162 -8.632 -9.529 1.00 0.00 C ATOM 131 CD2 LEU A 9 -17.638 -8.695 -9.842 1.00 0.00 C ATOM 0 H LEU A 9 -16.288 -9.270 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.911 -7.531 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.330 -9.652 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.744 -8.630 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.522 -7.051 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.042 -8.283 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.350 -8.241 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.138 -9.722 -9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.512 -8.352 -10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.616 -9.784 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.595 -8.343 -9.457 1.00 0.00 H new ATOM 143 N GLU A 10 -17.873 -6.375 -6.016 1.00 0.00 N ATOM 144 CA GLU A 10 -18.634 -5.093 -5.909 1.00 0.00 C ATOM 145 C GLU A 10 -17.848 -4.052 -5.100 1.00 0.00 C ATOM 146 O GLU A 10 -17.718 -2.915 -5.510 1.00 0.00 O ATOM 147 CB GLU A 10 -19.993 -5.341 -5.244 1.00 0.00 C ATOM 148 CG GLU A 10 -19.829 -6.303 -4.069 1.00 0.00 C ATOM 149 CD GLU A 10 -21.186 -6.524 -3.397 1.00 0.00 C ATOM 150 OE1 GLU A 10 -22.179 -6.541 -4.106 1.00 0.00 O ATOM 151 OE2 GLU A 10 -21.209 -6.671 -2.187 1.00 0.00 O ATOM 0 H GLU A 10 -18.385 -7.210 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.787 -4.706 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.415 -4.398 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.693 -5.756 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.425 -7.253 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.117 -5.898 -3.350 1.00 0.00 H new ATOM 158 N ILE A 11 -17.334 -4.410 -3.953 1.00 0.00 N ATOM 159 CA ILE A 11 -16.582 -3.403 -3.144 1.00 0.00 C ATOM 160 C ILE A 11 -15.234 -3.089 -3.799 1.00 0.00 C ATOM 161 O ILE A 11 -14.975 -1.969 -4.175 1.00 0.00 O ATOM 162 CB ILE A 11 -16.357 -3.926 -1.715 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.225 -5.456 -1.726 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.543 -3.527 -0.831 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.324 -5.905 -0.568 1.00 0.00 C ATOM 0 H ILE A 11 -17.400 -5.342 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 11 -17.174 -2.489 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.439 -3.491 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.209 -5.916 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.806 -5.788 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.383 -3.898 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.632 -2.441 -0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.459 -3.958 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.232 -6.991 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.337 -5.456 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.762 -5.587 0.378 1.00 0.00 H new ATOM 177 N VAL A 12 -14.371 -4.060 -3.933 1.00 0.00 N ATOM 178 CA VAL A 12 -13.036 -3.800 -4.554 1.00 0.00 C ATOM 179 C VAL A 12 -13.175 -2.834 -5.730 1.00 0.00 C ATOM 180 O VAL A 12 -12.327 -1.994 -5.953 1.00 0.00 O ATOM 181 CB VAL A 12 -12.428 -5.115 -5.048 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.120 -4.824 -5.788 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.143 -6.031 -3.852 1.00 0.00 C ATOM 0 H VAL A 12 -14.531 -5.024 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.384 -3.355 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.129 -5.607 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.686 -5.759 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.321 -4.173 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.421 -4.332 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.710 -6.967 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.443 -5.540 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.073 -6.238 -3.323 1.00 0.00 H new ATOM 193 N LYS A 13 -14.218 -2.950 -6.496 1.00 0.00 N ATOM 194 CA LYS A 13 -14.374 -2.034 -7.658 1.00 0.00 C ATOM 195 C LYS A 13 -14.948 -0.679 -7.221 1.00 0.00 C ATOM 196 O LYS A 13 -14.577 0.354 -7.742 1.00 0.00 O ATOM 197 CB LYS A 13 -15.302 -2.674 -8.695 1.00 0.00 C ATOM 198 CG LYS A 13 -14.561 -3.797 -9.433 1.00 0.00 C ATOM 199 CD LYS A 13 -13.765 -3.217 -10.613 1.00 0.00 C ATOM 200 CE LYS A 13 -14.661 -3.135 -11.852 1.00 0.00 C ATOM 201 NZ LYS A 13 -15.042 -4.510 -12.282 1.00 0.00 N ATOM 0 H LYS A 13 -14.965 -3.633 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.390 -1.864 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.190 -3.073 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.642 -1.921 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.887 -4.311 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.274 -4.538 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.389 -2.226 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.897 -3.843 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.554 -2.551 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.138 -2.622 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.152 -4.533 -13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.300 -5.181 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.941 -4.778 -11.833 1.00 0.00 H new ATOM 215 N ASP A 14 -15.874 -0.670 -6.304 1.00 0.00 N ATOM 216 CA ASP A 14 -16.487 0.625 -5.877 1.00 0.00 C ATOM 217 C ASP A 14 -15.607 1.367 -4.857 1.00 0.00 C ATOM 218 O ASP A 14 -15.314 2.532 -5.016 1.00 0.00 O ATOM 219 CB ASP A 14 -17.853 0.348 -5.248 1.00 0.00 C ATOM 220 CG ASP A 14 -18.576 1.671 -4.991 1.00 0.00 C ATOM 221 OD1 ASP A 14 -19.273 2.126 -5.882 1.00 0.00 O ATOM 222 OD2 ASP A 14 -18.421 2.206 -3.905 1.00 0.00 O ATOM 0 H ASP A 14 -16.234 -1.499 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.586 1.257 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.449 -0.281 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.730 -0.199 -4.313 1.00 0.00 H new ATOM 227 N HIS A 15 -15.228 0.713 -3.793 1.00 0.00 N ATOM 228 CA HIS A 15 -14.416 1.385 -2.730 1.00 0.00 C ATOM 229 C HIS A 15 -13.125 2.011 -3.285 1.00 0.00 C ATOM 230 O HIS A 15 -12.722 3.075 -2.860 1.00 0.00 O ATOM 231 CB HIS A 15 -14.066 0.362 -1.641 1.00 0.00 C ATOM 232 CG HIS A 15 -12.779 -0.337 -1.985 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.359 -0.983 -3.123 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.721 -0.422 -1.090 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.067 -1.458 -2.936 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.727 -1.095 -1.698 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.446 -0.266 -3.610 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.016 2.196 -2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.971 0.863 -0.677 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.870 -0.367 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.700 -0.021 -0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.464 -2.006 -3.645 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.826 -1.302 -1.266 1.00 0.00 H new ATOM 245 N LEU A 16 -12.450 1.357 -4.195 1.00 0.00 N ATOM 246 CA LEU A 16 -11.170 1.929 -4.722 1.00 0.00 C ATOM 247 C LEU A 16 -11.280 3.447 -4.913 1.00 0.00 C ATOM 248 O LEU A 16 -10.330 4.173 -4.700 1.00 0.00 O ATOM 249 CB LEU A 16 -10.782 1.267 -6.055 1.00 0.00 C ATOM 250 CG LEU A 16 -11.991 1.169 -6.998 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.319 2.540 -7.618 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.661 0.179 -8.121 1.00 0.00 C ATOM 0 H LEU A 16 -12.725 0.460 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.393 1.725 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.990 1.843 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.382 0.271 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.856 0.831 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.178 2.443 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.551 3.252 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.460 2.897 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.512 0.100 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.790 0.532 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.447 -0.800 -7.692 1.00 0.00 H new ATOM 264 N LEU A 17 -12.412 3.934 -5.341 1.00 0.00 N ATOM 265 CA LEU A 17 -12.546 5.401 -5.575 1.00 0.00 C ATOM 266 C LEU A 17 -12.462 6.182 -4.249 1.00 0.00 C ATOM 267 O LEU A 17 -11.510 6.895 -4.020 1.00 0.00 O ATOM 268 CB LEU A 17 -13.875 5.690 -6.292 1.00 0.00 C ATOM 269 CG LEU A 17 -13.640 5.802 -7.806 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.947 5.521 -8.550 1.00 0.00 C ATOM 271 CD2 LEU A 17 -13.154 7.215 -8.149 1.00 0.00 C ATOM 0 H LEU A 17 -13.247 3.383 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.721 5.732 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.591 4.894 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.309 6.616 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.886 5.075 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.779 5.601 -9.624 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.293 4.515 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.702 6.246 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.988 7.292 -9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.907 7.942 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.221 7.417 -7.622 1.00 0.00 H new ATOM 283 N PRO A 18 -13.446 6.069 -3.390 1.00 0.00 N ATOM 284 CA PRO A 18 -13.461 6.808 -2.086 1.00 0.00 C ATOM 285 C PRO A 18 -12.313 6.406 -1.152 1.00 0.00 C ATOM 286 O PRO A 18 -11.675 7.241 -0.545 1.00 0.00 O ATOM 287 CB PRO A 18 -14.812 6.429 -1.462 1.00 0.00 C ATOM 288 CG PRO A 18 -15.196 5.149 -2.123 1.00 0.00 C ATOM 289 CD PRO A 18 -14.645 5.233 -3.544 1.00 0.00 C ATOM 0 HA PRO A 18 -13.331 7.879 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.728 6.306 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.559 7.203 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.778 4.294 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.279 5.022 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.401 4.247 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.364 5.682 -4.229 1.00 0.00 H new ATOM 297 N LYS A 19 -12.057 5.135 -1.018 1.00 0.00 N ATOM 298 CA LYS A 19 -10.964 4.687 -0.106 1.00 0.00 C ATOM 299 C LYS A 19 -9.684 5.480 -0.389 1.00 0.00 C ATOM 300 O LYS A 19 -9.348 6.410 0.317 1.00 0.00 O ATOM 301 CB LYS A 19 -10.703 3.193 -0.328 1.00 0.00 C ATOM 302 CG LYS A 19 -9.561 2.719 0.580 1.00 0.00 C ATOM 303 CD LYS A 19 -9.920 2.974 2.049 1.00 0.00 C ATOM 304 CE LYS A 19 -9.155 1.995 2.944 1.00 0.00 C ATOM 305 NZ LYS A 19 -7.690 2.180 2.743 1.00 0.00 N ATOM 0 H LYS A 19 -12.556 4.387 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.264 4.859 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.607 2.622 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.448 3.011 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.376 1.657 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.641 3.244 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.673 4.000 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.993 2.855 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.414 2.163 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.439 0.970 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.242 1.255 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.527 2.791 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.277 2.624 3.588 1.00 0.00 H new ATOM 319 N GLN A 20 -8.962 5.107 -1.407 1.00 0.00 N ATOM 320 CA GLN A 20 -7.693 5.819 -1.737 1.00 0.00 C ATOM 321 C GLN A 20 -7.923 7.334 -1.756 1.00 0.00 C ATOM 322 O GLN A 20 -7.210 8.086 -1.124 1.00 0.00 O ATOM 323 CB GLN A 20 -7.203 5.367 -3.115 1.00 0.00 C ATOM 324 CG GLN A 20 -7.132 3.831 -3.170 1.00 0.00 C ATOM 325 CD GLN A 20 -7.398 3.348 -4.599 1.00 0.00 C ATOM 326 OE1 GLN A 20 -7.990 4.052 -5.393 1.00 0.00 O ATOM 327 NE2 GLN A 20 -6.984 2.164 -4.962 1.00 0.00 N ATOM 0 H GLN A 20 -9.196 4.334 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.947 5.582 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.876 5.736 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.220 5.792 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.151 3.491 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.865 3.400 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.487 1.572 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.158 1.832 -5.911 1.00 0.00 H new ATOM 336 N ILE A 21 -8.902 7.788 -2.487 1.00 0.00 N ATOM 337 CA ILE A 21 -9.166 9.256 -2.560 1.00 0.00 C ATOM 338 C ILE A 21 -9.182 9.870 -1.156 1.00 0.00 C ATOM 339 O ILE A 21 -8.734 10.974 -0.961 1.00 0.00 O ATOM 340 CB ILE A 21 -10.511 9.507 -3.252 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.356 9.314 -4.771 1.00 0.00 C ATOM 342 CG2 ILE A 21 -10.991 10.934 -2.964 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.359 10.329 -5.351 1.00 0.00 C ATOM 0 H ILE A 21 -9.533 7.207 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.369 9.726 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.245 8.798 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.013 8.301 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.324 9.430 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.947 11.103 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.111 11.068 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.257 11.647 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.265 10.174 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.717 11.341 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.386 10.194 -4.879 1.00 0.00 H new ATOM 355 N LYS A 22 -9.716 9.190 -0.181 1.00 0.00 N ATOM 356 CA LYS A 22 -9.764 9.786 1.188 1.00 0.00 C ATOM 357 C LYS A 22 -8.346 9.991 1.733 1.00 0.00 C ATOM 358 O LYS A 22 -7.800 11.081 1.682 1.00 0.00 O ATOM 359 CB LYS A 22 -10.538 8.853 2.121 1.00 0.00 C ATOM 360 CG LYS A 22 -10.513 9.414 3.544 1.00 0.00 C ATOM 361 CD LYS A 22 -11.531 8.664 4.406 1.00 0.00 C ATOM 362 CE LYS A 22 -11.251 8.941 5.884 1.00 0.00 C ATOM 363 NZ LYS A 22 -11.006 10.397 6.078 1.00 0.00 N ATOM 0 H LYS A 22 -10.118 8.257 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.263 10.754 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.567 8.751 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.096 7.857 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.515 9.311 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.746 10.479 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.542 8.980 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.472 7.594 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.097 8.619 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.385 8.368 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.135 10.640 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.034 10.627 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.678 10.942 5.501 1.00 0.00 H new ATOM 377 N GLU A 23 -7.746 8.955 2.253 1.00 0.00 N ATOM 378 CA GLU A 23 -6.366 9.085 2.803 1.00 0.00 C ATOM 379 C GLU A 23 -5.515 9.908 1.837 1.00 0.00 C ATOM 380 O GLU A 23 -4.692 10.707 2.237 1.00 0.00 O ATOM 381 CB GLU A 23 -5.751 7.694 2.969 1.00 0.00 C ATOM 382 CG GLU A 23 -6.376 6.998 4.179 1.00 0.00 C ATOM 383 CD GLU A 23 -5.810 7.601 5.466 1.00 0.00 C ATOM 384 OE1 GLU A 23 -4.599 7.705 5.565 1.00 0.00 O ATOM 385 OE2 GLU A 23 -6.597 7.947 6.331 1.00 0.00 O ATOM 0 H GLU A 23 -8.153 8.022 2.321 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.402 9.582 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.918 7.102 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.672 7.776 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.460 7.113 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.168 5.929 4.144 1.00 0.00 H new ATOM 392 N HIS A 24 -5.710 9.709 0.566 1.00 0.00 N ATOM 393 CA HIS A 24 -4.924 10.465 -0.446 1.00 0.00 C ATOM 394 C HIS A 24 -5.538 11.855 -0.620 1.00 0.00 C ATOM 395 O HIS A 24 -4.843 12.841 -0.761 1.00 0.00 O ATOM 396 CB HIS A 24 -4.952 9.705 -1.773 1.00 0.00 C ATOM 397 CG HIS A 24 -4.607 8.259 -1.526 1.00 0.00 C ATOM 398 ND1 HIS A 24 -4.972 7.596 -0.361 1.00 0.00 N ATOM 399 CD2 HIS A 24 -3.926 7.335 -2.280 1.00 0.00 C ATOM 400 CE1 HIS A 24 -4.512 6.335 -0.448 1.00 0.00 C ATOM 401 NE2 HIS A 24 -3.868 6.127 -1.595 1.00 0.00 N ATOM 0 H HIS A 24 -6.386 9.049 0.181 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.890 10.570 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.939 9.783 -2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.242 10.146 -2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.501 7.519 -3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.648 5.585 0.317 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.425 5.262 -1.906 1.00 0.00 H new ATOM 410 N GLY A 25 -6.840 11.933 -0.602 1.00 0.00 N ATOM 411 CA GLY A 25 -7.533 13.247 -0.754 1.00 0.00 C ATOM 412 C GLY A 25 -6.797 14.313 0.052 1.00 0.00 C ATOM 413 O GLY A 25 -6.696 15.453 -0.360 1.00 0.00 O ATOM 0 H GLY A 25 -7.462 11.133 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.567 13.532 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.565 13.167 -0.412 1.00 0.00 H new ATOM 417 N LEU A 26 -6.294 13.955 1.204 1.00 0.00 N ATOM 418 CA LEU A 26 -5.571 14.954 2.050 1.00 0.00 C ATOM 419 C LEU A 26 -4.760 15.893 1.153 1.00 0.00 C ATOM 420 O LEU A 26 -4.701 17.085 1.384 1.00 0.00 O ATOM 421 CB LEU A 26 -4.623 14.224 3.007 1.00 0.00 C ATOM 422 CG LEU A 26 -5.403 13.200 3.837 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.423 12.372 4.672 1.00 0.00 C ATOM 424 CD2 LEU A 26 -6.380 13.925 4.771 1.00 0.00 C ATOM 0 H LEU A 26 -6.352 13.015 1.597 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.295 15.532 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.837 13.723 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.134 14.942 3.666 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.962 12.545 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.976 11.642 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.730 11.853 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.865 13.031 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.933 13.192 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.824 14.583 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.079 14.516 4.179 1.00 0.00 H new ATOM 436 N LYS A 27 -4.151 15.373 0.120 1.00 0.00 N ATOM 437 CA LYS A 27 -3.365 16.240 -0.804 1.00 0.00 C ATOM 438 C LYS A 27 -4.192 16.470 -2.072 1.00 0.00 C ATOM 439 O LYS A 27 -5.201 15.829 -2.288 1.00 0.00 O ATOM 440 CB LYS A 27 -2.042 15.545 -1.160 1.00 0.00 C ATOM 441 CG LYS A 27 -0.890 16.157 -0.352 1.00 0.00 C ATOM 442 CD LYS A 27 -1.050 15.801 1.129 1.00 0.00 C ATOM 443 CE LYS A 27 -0.175 16.729 1.979 1.00 0.00 C ATOM 444 NZ LYS A 27 1.013 17.159 1.187 1.00 0.00 N ATOM 0 H LYS A 27 -4.165 14.383 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.142 17.195 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.116 14.478 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.843 15.649 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.065 15.786 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.881 17.240 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.094 15.897 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.765 14.762 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.750 17.600 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.146 16.214 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.725 17.570 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.420 16.337 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.724 17.871 0.486 1.00 0.00 H new ATOM 458 N LYS A 28 -3.778 17.378 -2.912 1.00 0.00 N ATOM 459 CA LYS A 28 -4.546 17.643 -4.163 1.00 0.00 C ATOM 460 C LYS A 28 -4.907 16.313 -4.833 1.00 0.00 C ATOM 461 O LYS A 28 -4.244 15.314 -4.642 1.00 0.00 O ATOM 462 CB LYS A 28 -3.692 18.482 -5.117 1.00 0.00 C ATOM 463 CG LYS A 28 -4.324 18.486 -6.511 1.00 0.00 C ATOM 464 CD LYS A 28 -3.742 19.637 -7.334 1.00 0.00 C ATOM 465 CE LYS A 28 -4.227 19.528 -8.780 1.00 0.00 C ATOM 466 NZ LYS A 28 -3.472 20.491 -9.632 1.00 0.00 N ATOM 0 H LYS A 28 -2.942 17.948 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.460 18.186 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.608 19.502 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.681 18.077 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.134 17.536 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.406 18.593 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.047 20.593 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.653 19.607 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.084 18.512 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.295 19.739 -8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.802 20.417 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.630 21.459 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.457 20.270 -9.590 1.00 0.00 H new ATOM 480 N SER A 29 -5.953 16.295 -5.618 1.00 0.00 N ATOM 481 CA SER A 29 -6.351 15.031 -6.301 1.00 0.00 C ATOM 482 C SER A 29 -5.109 14.377 -6.909 1.00 0.00 C ATOM 483 O SER A 29 -4.708 14.690 -8.012 1.00 0.00 O ATOM 484 CB SER A 29 -7.358 15.344 -7.408 1.00 0.00 C ATOM 485 OG SER A 29 -6.889 16.447 -8.172 1.00 0.00 O ATOM 0 H SER A 29 -6.547 17.100 -5.815 1.00 0.00 H new ATOM 0 HA SER A 29 -6.807 14.352 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.492 14.473 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.332 15.574 -6.975 1.00 0.00 H new ATOM 0 HG SER A 29 -5.941 16.318 -8.385 1.00 0.00 H new ATOM 491 N ASN A 30 -4.492 13.483 -6.185 1.00 0.00 N ATOM 492 CA ASN A 30 -3.261 12.813 -6.700 1.00 0.00 C ATOM 493 C ASN A 30 -3.523 11.321 -6.914 1.00 0.00 C ATOM 494 O ASN A 30 -2.849 10.480 -6.352 1.00 0.00 O ATOM 495 CB ASN A 30 -2.137 12.991 -5.676 1.00 0.00 C ATOM 496 CG ASN A 30 -0.786 12.724 -6.344 1.00 0.00 C ATOM 497 OD1 ASN A 30 -0.056 11.848 -5.929 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.424 13.446 -7.367 1.00 0.00 N ATOM 0 H ASN A 30 -4.788 13.186 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.976 13.260 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.159 14.002 -5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.282 12.307 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.474 13.275 -7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.039 14.182 -7.715 1.00 0.00 H new ATOM 505 N LEU A 31 -4.489 10.978 -7.724 1.00 0.00 N ATOM 506 CA LEU A 31 -4.769 9.535 -7.964 1.00 0.00 C ATOM 507 C LEU A 31 -5.579 9.358 -9.251 1.00 0.00 C ATOM 508 O LEU A 31 -6.639 9.930 -9.414 1.00 0.00 O ATOM 509 CB LEU A 31 -5.557 8.968 -6.781 1.00 0.00 C ATOM 510 CG LEU A 31 -5.825 7.471 -7.001 1.00 0.00 C ATOM 511 CD1 LEU A 31 -6.069 6.797 -5.650 1.00 0.00 C ATOM 512 CD2 LEU A 31 -7.058 7.273 -7.902 1.00 0.00 C ATOM 0 H LEU A 31 -5.092 11.630 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.824 9.002 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.998 9.114 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.500 9.503 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.958 7.024 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.260 5.735 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.190 6.921 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.932 7.254 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.234 6.207 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.930 7.724 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.883 7.748 -8.868 1.00 0.00 H new ATOM 524 N GLN A 32 -5.093 8.553 -10.160 1.00 0.00 N ATOM 525 CA GLN A 32 -5.833 8.315 -11.434 1.00 0.00 C ATOM 526 C GLN A 32 -5.561 6.882 -11.899 1.00 0.00 C ATOM 527 O GLN A 32 -4.914 6.655 -12.902 1.00 0.00 O ATOM 528 CB GLN A 32 -5.360 9.310 -12.505 1.00 0.00 C ATOM 529 CG GLN A 32 -6.263 10.549 -12.502 1.00 0.00 C ATOM 530 CD GLN A 32 -7.659 10.167 -13.000 1.00 0.00 C ATOM 531 OE1 GLN A 32 -7.804 9.282 -13.819 1.00 0.00 O ATOM 532 NE2 GLN A 32 -8.699 10.804 -12.535 1.00 0.00 N ATOM 0 H GLN A 32 -4.211 8.048 -10.074 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.902 8.456 -11.274 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.328 9.601 -12.312 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.380 8.837 -13.487 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.325 10.964 -11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.837 11.323 -13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.576 11.547 -11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.634 10.559 -12.859 1.00 0.00 H new ATOM 541 N LEU A 33 -6.046 5.912 -11.171 1.00 0.00 N ATOM 542 CA LEU A 33 -5.812 4.493 -11.561 1.00 0.00 C ATOM 543 C LEU A 33 -7.054 3.929 -12.246 1.00 0.00 C ATOM 544 O LEU A 33 -8.080 4.574 -12.332 1.00 0.00 O ATOM 545 CB LEU A 33 -5.499 3.669 -10.305 1.00 0.00 C ATOM 546 CG LEU A 33 -6.677 3.742 -9.321 1.00 0.00 C ATOM 547 CD1 LEU A 33 -7.811 2.800 -9.765 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.190 3.336 -7.926 1.00 0.00 C ATOM 0 H LEU A 33 -6.595 6.042 -10.321 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.972 4.443 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.307 2.632 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.593 4.046 -9.829 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.061 4.762 -9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.637 2.865 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.159 3.092 -10.756 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.441 1.775 -9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.021 3.385 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.802 2.318 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.401 4.015 -7.604 1.00 0.00 H new ATOM 560 N ARG A 34 -6.961 2.723 -12.731 1.00 0.00 N ATOM 561 CA ARG A 34 -8.124 2.086 -13.415 1.00 0.00 C ATOM 562 C ARG A 34 -8.324 0.675 -12.860 1.00 0.00 C ATOM 563 O ARG A 34 -7.400 0.050 -12.379 1.00 0.00 O ATOM 564 CB ARG A 34 -7.851 2.012 -14.919 1.00 0.00 C ATOM 565 CG ARG A 34 -7.828 3.427 -15.501 1.00 0.00 C ATOM 566 CD ARG A 34 -7.329 3.379 -16.945 1.00 0.00 C ATOM 567 NE ARG A 34 -7.337 4.754 -17.517 1.00 0.00 N ATOM 568 CZ ARG A 34 -6.608 5.032 -18.563 1.00 0.00 C ATOM 569 NH1 ARG A 34 -5.876 4.102 -19.113 1.00 0.00 N ATOM 570 NH2 ARG A 34 -6.614 6.238 -19.061 1.00 0.00 N ATOM 0 H ARG A 34 -6.122 2.145 -12.683 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.023 2.677 -13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.898 1.516 -15.103 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.621 1.417 -15.411 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.827 3.862 -15.465 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.180 4.067 -14.902 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.321 2.965 -16.980 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.964 2.722 -17.539 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.913 5.480 -17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.874 3.159 -18.725 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.306 4.319 -19.931 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.189 6.964 -18.633 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.044 6.455 -19.879 1.00 0.00 H new ATOM 584 N ASP A 35 -9.525 0.168 -12.917 1.00 0.00 N ATOM 585 CA ASP A 35 -9.785 -1.202 -12.389 1.00 0.00 C ATOM 586 C ASP A 35 -8.703 -2.163 -12.887 1.00 0.00 C ATOM 587 O ASP A 35 -8.192 -2.976 -12.142 1.00 0.00 O ATOM 588 CB ASP A 35 -11.154 -1.681 -12.876 1.00 0.00 C ATOM 589 CG ASP A 35 -12.169 -0.542 -12.748 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.741 -0.403 -11.681 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.354 0.171 -13.720 1.00 0.00 O ATOM 0 H ASP A 35 -10.339 0.644 -13.307 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.770 -1.178 -11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.088 -2.009 -13.913 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.480 -2.540 -12.290 1.00 0.00 H new ATOM 596 N GLN A 36 -8.353 -2.082 -14.141 1.00 0.00 N ATOM 597 CA GLN A 36 -7.310 -2.997 -14.688 1.00 0.00 C ATOM 598 C GLN A 36 -6.108 -3.042 -13.741 1.00 0.00 C ATOM 599 O GLN A 36 -5.531 -4.085 -13.507 1.00 0.00 O ATOM 600 CB GLN A 36 -6.858 -2.490 -16.061 1.00 0.00 C ATOM 601 CG GLN A 36 -5.967 -3.540 -16.729 1.00 0.00 C ATOM 602 CD GLN A 36 -6.824 -4.719 -17.193 1.00 0.00 C ATOM 603 OE1 GLN A 36 -7.146 -5.595 -16.415 1.00 0.00 O ATOM 604 NE2 GLN A 36 -7.210 -4.779 -18.439 1.00 0.00 N ATOM 0 H GLN A 36 -8.744 -1.421 -14.812 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.727 -3.999 -14.786 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.726 -2.284 -16.687 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.313 -1.552 -15.952 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.444 -3.101 -17.579 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.205 -3.884 -16.029 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.940 -4.044 -19.093 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.782 -5.561 -18.759 1.00 0.00 H new ATOM 613 N ALA A 37 -5.722 -1.920 -13.197 1.00 0.00 N ATOM 614 CA ALA A 37 -4.553 -1.905 -12.270 1.00 0.00 C ATOM 615 C ALA A 37 -4.832 -2.813 -11.072 1.00 0.00 C ATOM 616 O ALA A 37 -4.293 -3.897 -10.964 1.00 0.00 O ATOM 617 CB ALA A 37 -4.308 -0.475 -11.784 1.00 0.00 C ATOM 0 H ALA A 37 -6.164 -1.014 -13.354 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.670 -2.267 -12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.454 -0.462 -11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.103 0.170 -12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.192 -0.112 -11.260 1.00 0.00 H new ATOM 623 N ILE A 38 -5.667 -2.380 -10.168 1.00 0.00 N ATOM 624 CA ILE A 38 -5.978 -3.217 -8.974 1.00 0.00 C ATOM 625 C ILE A 38 -6.233 -4.663 -9.412 1.00 0.00 C ATOM 626 O ILE A 38 -5.713 -5.596 -8.836 1.00 0.00 O ATOM 627 CB ILE A 38 -7.224 -2.662 -8.279 1.00 0.00 C ATOM 628 CG1 ILE A 38 -6.898 -1.298 -7.666 1.00 0.00 C ATOM 629 CG2 ILE A 38 -7.671 -3.620 -7.174 1.00 0.00 C ATOM 630 CD1 ILE A 38 -8.195 -0.580 -7.297 1.00 0.00 C ATOM 0 H ILE A 38 -6.148 -1.481 -10.204 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.135 -3.195 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.026 -2.555 -9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.276 -1.425 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.326 -0.697 -8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.558 -3.220 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.904 -4.593 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.870 -3.731 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.962 0.391 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.801 -0.439 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.749 -1.179 -6.574 1.00 0.00 H new ATOM 642 N LEU A 39 -7.031 -4.855 -10.427 1.00 0.00 N ATOM 643 CA LEU A 39 -7.319 -6.240 -10.898 1.00 0.00 C ATOM 644 C LEU A 39 -6.004 -6.997 -11.103 1.00 0.00 C ATOM 645 O LEU A 39 -5.775 -8.035 -10.515 1.00 0.00 O ATOM 646 CB LEU A 39 -8.090 -6.179 -12.225 1.00 0.00 C ATOM 647 CG LEU A 39 -9.597 -6.071 -11.953 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.288 -5.401 -13.143 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.187 -7.470 -11.752 1.00 0.00 C ATOM 0 H LEU A 39 -7.496 -4.113 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.921 -6.759 -10.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.756 -5.322 -12.810 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.882 -7.070 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.755 -5.475 -11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.358 -5.326 -12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.875 -4.403 -13.289 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.125 -5.997 -14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.257 -7.389 -11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.024 -8.066 -12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.701 -7.952 -10.904 1.00 0.00 H new ATOM 661 N ASP A 40 -5.144 -6.487 -11.935 1.00 0.00 N ATOM 662 CA ASP A 40 -3.846 -7.177 -12.186 1.00 0.00 C ATOM 663 C ASP A 40 -3.150 -7.471 -10.854 1.00 0.00 C ATOM 664 O ASP A 40 -2.717 -8.576 -10.603 1.00 0.00 O ATOM 665 CB ASP A 40 -2.949 -6.280 -13.042 1.00 0.00 C ATOM 666 CG ASP A 40 -3.517 -6.194 -14.460 1.00 0.00 C ATOM 667 OD1 ASP A 40 -4.649 -6.609 -14.649 1.00 0.00 O ATOM 668 OD2 ASP A 40 -2.811 -5.716 -15.331 1.00 0.00 O ATOM 0 H ASP A 40 -5.282 -5.620 -12.455 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.032 -8.115 -12.710 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.887 -5.284 -12.603 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.936 -6.680 -13.068 1.00 0.00 H new ATOM 673 N ILE A 41 -3.027 -6.488 -10.007 1.00 0.00 N ATOM 674 CA ILE A 41 -2.347 -6.713 -8.697 1.00 0.00 C ATOM 675 C ILE A 41 -2.910 -7.966 -8.017 1.00 0.00 C ATOM 676 O ILE A 41 -2.321 -9.028 -8.075 1.00 0.00 O ATOM 677 CB ILE A 41 -2.568 -5.491 -7.795 1.00 0.00 C ATOM 678 CG1 ILE A 41 -1.825 -4.277 -8.372 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.051 -5.780 -6.382 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.322 -4.571 -8.487 1.00 0.00 C ATOM 0 H ILE A 41 -3.367 -5.539 -10.163 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.280 -6.856 -8.867 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.636 -5.276 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.229 -4.029 -9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.984 -3.408 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.212 -4.907 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.587 -6.633 -5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.985 -6.006 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.189 -3.700 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.081 -4.796 -7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.168 -5.426 -9.145 1.00 0.00 H new ATOM 692 N ILE A 42 -4.037 -7.856 -7.366 1.00 0.00 N ATOM 693 CA ILE A 42 -4.620 -9.044 -6.677 1.00 0.00 C ATOM 694 C ILE A 42 -4.546 -10.265 -7.598 1.00 0.00 C ATOM 695 O ILE A 42 -4.168 -11.343 -7.184 1.00 0.00 O ATOM 696 CB ILE A 42 -6.082 -8.758 -6.306 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.658 -7.697 -7.252 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.157 -8.243 -4.865 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.186 -7.789 -7.262 1.00 0.00 C ATOM 0 H ILE A 42 -4.579 -6.996 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.053 -9.249 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.659 -9.678 -6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.346 -6.703 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.269 -7.844 -8.259 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.196 -8.041 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.753 -8.996 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.575 -7.325 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.592 -7.034 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.489 -8.779 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.567 -7.620 -6.255 1.00 0.00 H new ATOM 711 N ARG A 43 -4.903 -10.106 -8.841 1.00 0.00 N ATOM 712 CA ARG A 43 -4.852 -11.261 -9.782 1.00 0.00 C ATOM 713 C ARG A 43 -3.479 -11.935 -9.688 1.00 0.00 C ATOM 714 O ARG A 43 -3.371 -13.145 -9.676 1.00 0.00 O ATOM 715 CB ARG A 43 -5.083 -10.762 -11.212 1.00 0.00 C ATOM 716 CG ARG A 43 -5.112 -11.950 -12.176 1.00 0.00 C ATOM 717 CD ARG A 43 -5.302 -11.439 -13.605 1.00 0.00 C ATOM 718 NE ARG A 43 -5.652 -12.580 -14.501 1.00 0.00 N ATOM 719 CZ ARG A 43 -6.895 -12.968 -14.612 1.00 0.00 C ATOM 720 NH1 ARG A 43 -7.832 -12.361 -13.936 1.00 0.00 N ATOM 721 NH2 ARG A 43 -7.199 -13.962 -15.400 1.00 0.00 N ATOM 0 H ARG A 43 -5.228 -9.228 -9.247 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.627 -11.981 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.023 -10.213 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.292 -10.069 -11.498 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.184 -12.516 -12.101 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.922 -12.629 -11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.091 -10.687 -13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.389 -10.956 -13.954 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.920 -13.058 -15.027 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.594 -11.583 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.802 -12.664 -14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.467 -14.436 -15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.169 -14.265 -15.487 1.00 0.00 H new ATOM 735 N TYR A 44 -2.429 -11.162 -9.623 1.00 0.00 N ATOM 736 CA TYR A 44 -1.066 -11.757 -9.532 1.00 0.00 C ATOM 737 C TYR A 44 -0.781 -12.166 -8.086 1.00 0.00 C ATOM 738 O TYR A 44 -0.185 -13.192 -7.826 1.00 0.00 O ATOM 739 CB TYR A 44 -0.030 -10.721 -9.984 1.00 0.00 C ATOM 740 CG TYR A 44 0.094 -10.747 -11.490 1.00 0.00 C ATOM 741 CD1 TYR A 44 -1.043 -10.585 -12.291 1.00 0.00 C ATOM 742 CD2 TYR A 44 1.348 -10.933 -12.087 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.927 -10.609 -13.685 1.00 0.00 C ATOM 744 CE2 TYR A 44 1.464 -10.956 -13.481 1.00 0.00 C ATOM 745 CZ TYR A 44 0.326 -10.796 -14.280 1.00 0.00 C ATOM 746 OH TYR A 44 0.441 -10.818 -15.656 1.00 0.00 O ATOM 0 H TYR A 44 -2.457 -10.142 -9.629 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.009 -12.636 -10.174 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.327 -9.726 -9.651 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.936 -10.935 -9.526 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.010 -10.441 -11.832 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.226 -11.059 -11.470 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.804 -10.483 -14.302 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.431 -11.097 -13.940 1.00 0.00 H new ATOM 0 HH TYR A 44 0.612 -11.735 -15.955 1.00 0.00 H new ATOM 756 N TYR A 45 -1.191 -11.363 -7.144 1.00 0.00 N ATOM 757 CA TYR A 45 -0.932 -11.694 -5.715 1.00 0.00 C ATOM 758 C TYR A 45 -2.044 -12.588 -5.170 1.00 0.00 C ATOM 759 O TYR A 45 -1.842 -13.757 -4.919 1.00 0.00 O ATOM 760 CB TYR A 45 -0.877 -10.403 -4.900 1.00 0.00 C ATOM 761 CG TYR A 45 0.368 -9.640 -5.272 1.00 0.00 C ATOM 762 CD1 TYR A 45 1.587 -9.949 -4.661 1.00 0.00 C ATOM 763 CD2 TYR A 45 0.303 -8.627 -6.234 1.00 0.00 C ATOM 764 CE1 TYR A 45 2.743 -9.245 -5.013 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.457 -7.923 -6.586 1.00 0.00 C ATOM 766 CZ TYR A 45 2.678 -8.231 -5.977 1.00 0.00 C ATOM 767 OH TYR A 45 3.818 -7.537 -6.327 1.00 0.00 O ATOM 0 H TYR A 45 -1.695 -10.490 -7.302 1.00 0.00 H new ATOM 0 HA TYR A 45 0.018 -12.223 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.762 -9.797 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.875 -10.631 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.636 -10.731 -3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.639 -8.389 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.685 -9.483 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.406 -7.141 -7.329 1.00 0.00 H new ATOM 0 HH TYR A 45 4.527 -7.723 -5.677 1.00 0.00 H new ATOM 777 N THR A 46 -3.214 -12.042 -4.975 1.00 0.00 N ATOM 778 CA THR A 46 -4.339 -12.848 -4.433 1.00 0.00 C ATOM 779 C THR A 46 -3.931 -13.428 -3.072 1.00 0.00 C ATOM 780 O THR A 46 -4.731 -14.011 -2.367 1.00 0.00 O ATOM 781 CB THR A 46 -4.683 -13.962 -5.436 1.00 0.00 C ATOM 782 OG1 THR A 46 -6.073 -13.918 -5.723 1.00 0.00 O ATOM 783 CG2 THR A 46 -4.326 -15.339 -4.873 1.00 0.00 C ATOM 0 H THR A 46 -3.437 -11.066 -5.170 1.00 0.00 H new ATOM 0 HA THR A 46 -5.224 -12.228 -4.289 1.00 0.00 H new ATOM 0 HB THR A 46 -4.103 -13.801 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.297 -14.625 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.580 -16.108 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.258 -15.379 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.886 -15.513 -3.954 1.00 0.00 H new ATOM 791 N ARG A 47 -2.690 -13.266 -2.701 1.00 0.00 N ATOM 792 CA ARG A 47 -2.220 -13.799 -1.393 1.00 0.00 C ATOM 793 C ARG A 47 -2.856 -13.001 -0.254 1.00 0.00 C ATOM 794 O ARG A 47 -2.203 -12.218 0.408 1.00 0.00 O ATOM 795 CB ARG A 47 -0.693 -13.674 -1.315 1.00 0.00 C ATOM 796 CG ARG A 47 -0.268 -12.230 -1.638 1.00 0.00 C ATOM 797 CD ARG A 47 0.648 -11.697 -0.532 1.00 0.00 C ATOM 798 NE ARG A 47 1.058 -10.303 -0.856 1.00 0.00 N ATOM 799 CZ ARG A 47 1.974 -9.710 -0.139 1.00 0.00 C ATOM 800 NH1 ARG A 47 2.529 -10.338 0.860 1.00 0.00 N ATOM 801 NH2 ARG A 47 2.333 -8.488 -0.422 1.00 0.00 N ATOM 0 H ARG A 47 -1.979 -12.785 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.507 -14.847 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.347 -13.950 -0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.227 -14.365 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.249 -12.200 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.149 -11.594 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.130 -11.722 0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.528 -12.333 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 47 0.624 -9.812 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.248 -11.293 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.245 -9.874 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.898 -7.997 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.048 -8.024 0.138 1.00 0.00 H new ATOM 815 N GLU A 48 -4.127 -13.191 -0.018 1.00 0.00 N ATOM 816 CA GLU A 48 -4.805 -12.441 1.079 1.00 0.00 C ATOM 817 C GLU A 48 -5.851 -13.340 1.743 1.00 0.00 C ATOM 818 O GLU A 48 -6.245 -14.355 1.204 1.00 0.00 O ATOM 819 CB GLU A 48 -5.495 -11.200 0.503 1.00 0.00 C ATOM 820 CG GLU A 48 -4.452 -10.118 0.212 1.00 0.00 C ATOM 821 CD GLU A 48 -3.883 -9.584 1.528 1.00 0.00 C ATOM 822 OE1 GLU A 48 -4.436 -9.911 2.566 1.00 0.00 O ATOM 823 OE2 GLU A 48 -2.903 -8.859 1.476 1.00 0.00 O ATOM 0 H GLU A 48 -4.725 -13.833 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.064 -12.135 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.028 -11.460 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.236 -10.824 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.650 -10.528 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.905 -9.305 -0.356 1.00 0.00 H new ATOM 830 N ALA A 49 -6.305 -12.970 2.910 1.00 0.00 N ATOM 831 CA ALA A 49 -7.328 -13.794 3.617 1.00 0.00 C ATOM 832 C ALA A 49 -8.298 -12.868 4.353 1.00 0.00 C ATOM 833 O ALA A 49 -8.686 -13.122 5.476 1.00 0.00 O ATOM 834 CB ALA A 49 -6.635 -14.713 4.626 1.00 0.00 C ATOM 0 H ALA A 49 -6.010 -12.129 3.406 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.875 -14.399 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.382 -15.315 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.939 -15.369 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.089 -14.110 5.352 1.00 0.00 H new ATOM 840 N GLY A 50 -8.687 -11.792 3.726 1.00 0.00 N ATOM 841 CA GLY A 50 -9.628 -10.841 4.383 1.00 0.00 C ATOM 842 C GLY A 50 -9.680 -9.544 3.574 1.00 0.00 C ATOM 843 O GLY A 50 -8.661 -8.972 3.239 1.00 0.00 O ATOM 0 H GLY A 50 -8.393 -11.530 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.622 -11.282 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.302 -10.635 5.403 1.00 0.00 H new ATOM 847 N VAL A 51 -10.853 -9.077 3.251 1.00 0.00 N ATOM 848 CA VAL A 51 -10.957 -7.819 2.460 1.00 0.00 C ATOM 849 C VAL A 51 -10.234 -6.690 3.194 1.00 0.00 C ATOM 850 O VAL A 51 -9.523 -5.908 2.596 1.00 0.00 O ATOM 851 CB VAL A 51 -12.427 -7.442 2.274 1.00 0.00 C ATOM 852 CG1 VAL A 51 -13.131 -8.512 1.438 1.00 0.00 C ATOM 853 CG2 VAL A 51 -13.106 -7.335 3.642 1.00 0.00 C ATOM 0 H VAL A 51 -11.742 -9.510 3.499 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.498 -7.973 1.484 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.490 -6.482 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.179 -8.241 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.651 -8.586 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.066 -9.473 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.154 -7.066 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.040 -8.294 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.608 -6.569 4.236 1.00 0.00 H new ATOM 863 N ARG A 52 -10.409 -6.596 4.484 1.00 0.00 N ATOM 864 CA ARG A 52 -9.729 -5.513 5.253 1.00 0.00 C ATOM 865 C ARG A 52 -8.271 -5.408 4.800 1.00 0.00 C ATOM 866 O ARG A 52 -7.817 -4.367 4.364 1.00 0.00 O ATOM 867 CB ARG A 52 -9.783 -5.842 6.748 1.00 0.00 C ATOM 868 CG ARG A 52 -9.146 -4.706 7.559 1.00 0.00 C ATOM 869 CD ARG A 52 -9.932 -3.404 7.357 1.00 0.00 C ATOM 870 NE ARG A 52 -11.386 -3.705 7.228 1.00 0.00 N ATOM 871 CZ ARG A 52 -12.191 -2.822 6.704 1.00 0.00 C ATOM 872 NH1 ARG A 52 -11.723 -1.676 6.291 1.00 0.00 N ATOM 873 NH2 ARG A 52 -13.465 -3.084 6.595 1.00 0.00 N ATOM 0 H ARG A 52 -10.993 -7.222 5.039 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.232 -4.563 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.817 -5.987 7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.258 -6.777 6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.130 -4.969 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.110 -4.566 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.764 -2.733 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.577 -2.890 6.464 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.752 -4.601 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.728 -1.470 6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.352 -0.986 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.831 -3.979 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.094 -2.394 6.185 1.00 0.00 H new ATOM 887 N SER A 53 -7.532 -6.480 4.896 1.00 0.00 N ATOM 888 CA SER A 53 -6.108 -6.440 4.467 1.00 0.00 C ATOM 889 C SER A 53 -6.037 -6.112 2.977 1.00 0.00 C ATOM 890 O SER A 53 -5.204 -5.344 2.540 1.00 0.00 O ATOM 891 CB SER A 53 -5.457 -7.798 4.720 1.00 0.00 C ATOM 892 OG SER A 53 -5.896 -8.303 5.975 1.00 0.00 O ATOM 0 H SER A 53 -7.854 -7.380 5.253 1.00 0.00 H new ATOM 0 HA SER A 53 -5.580 -5.675 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.719 -8.494 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.371 -7.701 4.714 1.00 0.00 H new ATOM 0 HG SER A 53 -5.481 -9.176 6.140 1.00 0.00 H new ATOM 898 N LEU A 54 -6.907 -6.684 2.194 1.00 0.00 N ATOM 899 CA LEU A 54 -6.891 -6.396 0.734 1.00 0.00 C ATOM 900 C LEU A 54 -6.921 -4.881 0.541 1.00 0.00 C ATOM 901 O LEU A 54 -6.047 -4.300 -0.077 1.00 0.00 O ATOM 902 CB LEU A 54 -8.122 -7.032 0.078 1.00 0.00 C ATOM 903 CG LEU A 54 -7.839 -7.308 -1.400 1.00 0.00 C ATOM 904 CD1 LEU A 54 -9.094 -7.884 -2.059 1.00 0.00 C ATOM 905 CD2 LEU A 54 -7.448 -6.004 -2.101 1.00 0.00 C ATOM 0 H LEU A 54 -7.627 -7.337 2.501 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.993 -6.809 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.378 -7.961 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.981 -6.368 0.175 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.021 -8.023 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.894 -8.081 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.372 -8.814 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.911 -7.168 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.247 -6.203 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.264 -5.287 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.554 -5.593 -1.632 1.00 0.00 H new ATOM 917 N GLU A 55 -7.914 -4.234 1.083 1.00 0.00 N ATOM 918 CA GLU A 55 -8.000 -2.757 0.954 1.00 0.00 C ATOM 919 C GLU A 55 -6.688 -2.142 1.434 1.00 0.00 C ATOM 920 O GLU A 55 -6.192 -1.192 0.864 1.00 0.00 O ATOM 921 CB GLU A 55 -9.156 -2.232 1.810 1.00 0.00 C ATOM 922 CG GLU A 55 -10.458 -2.914 1.386 1.00 0.00 C ATOM 923 CD GLU A 55 -11.643 -2.205 2.044 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.453 -1.103 2.531 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.721 -2.777 2.049 1.00 0.00 O ATOM 0 H GLU A 55 -8.671 -4.668 1.611 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.176 -2.487 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.959 -2.426 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.245 -1.152 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.560 -2.885 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.442 -3.964 1.676 1.00 0.00 H new ATOM 932 N ARG A 56 -6.118 -2.676 2.482 1.00 0.00 N ATOM 933 CA ARG A 56 -4.836 -2.115 2.992 1.00 0.00 C ATOM 934 C ARG A 56 -3.760 -2.242 1.912 1.00 0.00 C ATOM 935 O ARG A 56 -2.950 -1.358 1.726 1.00 0.00 O ATOM 936 CB ARG A 56 -4.400 -2.880 4.246 1.00 0.00 C ATOM 937 CG ARG A 56 -3.431 -2.021 5.063 1.00 0.00 C ATOM 938 CD ARG A 56 -2.638 -2.910 6.024 1.00 0.00 C ATOM 939 NE ARG A 56 -3.523 -3.982 6.558 1.00 0.00 N ATOM 940 CZ ARG A 56 -3.012 -4.967 7.244 1.00 0.00 C ATOM 941 NH1 ARG A 56 -1.726 -5.012 7.463 1.00 0.00 N ATOM 942 NH2 ARG A 56 -3.786 -5.909 7.712 1.00 0.00 N ATOM 0 H ARG A 56 -6.484 -3.473 3.004 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.975 -1.064 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.271 -3.136 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.921 -3.818 3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.750 -1.491 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.983 -1.266 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.786 -3.352 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.239 -2.312 6.843 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.528 -3.946 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.120 -4.277 7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.327 -5.782 7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.791 -5.875 7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.385 -6.679 8.248 1.00 0.00 H new ATOM 956 N GLN A 57 -3.744 -3.333 1.197 1.00 0.00 N ATOM 957 CA GLN A 57 -2.717 -3.508 0.130 1.00 0.00 C ATOM 958 C GLN A 57 -2.917 -2.442 -0.949 1.00 0.00 C ATOM 959 O GLN A 57 -1.983 -1.782 -1.365 1.00 0.00 O ATOM 960 CB GLN A 57 -2.862 -4.899 -0.491 1.00 0.00 C ATOM 961 CG GLN A 57 -1.726 -5.136 -1.487 1.00 0.00 C ATOM 962 CD GLN A 57 -1.701 -6.610 -1.893 1.00 0.00 C ATOM 963 OE1 GLN A 57 -2.584 -7.365 -1.534 1.00 0.00 O ATOM 964 NE2 GLN A 57 -0.721 -7.056 -2.629 1.00 0.00 N ATOM 0 H GLN A 57 -4.396 -4.110 1.305 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.721 -3.405 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.841 -5.661 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.825 -4.985 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.863 -4.508 -2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.772 -4.855 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.020 -6.423 -2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.695 -8.038 -2.903 1.00 0.00 H new ATOM 973 N LEU A 58 -4.128 -2.264 -1.405 1.00 0.00 N ATOM 974 CA LEU A 58 -4.382 -1.237 -2.457 1.00 0.00 C ATOM 975 C LEU A 58 -4.093 0.148 -1.884 1.00 0.00 C ATOM 976 O LEU A 58 -3.436 0.962 -2.499 1.00 0.00 O ATOM 977 CB LEU A 58 -5.842 -1.309 -2.911 1.00 0.00 C ATOM 978 CG LEU A 58 -6.245 -2.770 -3.107 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.697 -2.839 -3.586 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.333 -3.417 -4.152 1.00 0.00 C ATOM 0 H LEU A 58 -4.950 -2.783 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.733 -1.425 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.488 -0.839 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.972 -0.757 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.148 -3.302 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.985 -3.881 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.348 -2.380 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.794 -2.306 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.621 -4.459 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.429 -2.885 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.299 -3.369 -3.812 1.00 0.00 H new ATOM 992 N ALA A 59 -4.566 0.420 -0.703 1.00 0.00 N ATOM 993 CA ALA A 59 -4.300 1.747 -0.092 1.00 0.00 C ATOM 994 C ALA A 59 -2.789 1.929 0.031 1.00 0.00 C ATOM 995 O ALA A 59 -2.261 3.006 -0.154 1.00 0.00 O ATOM 996 CB ALA A 59 -4.940 1.811 1.296 1.00 0.00 C ATOM 0 H ALA A 59 -5.124 -0.218 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.723 2.537 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.744 2.786 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.016 1.663 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.517 1.030 1.928 1.00 0.00 H new ATOM 1002 N ALA A 60 -2.093 0.872 0.354 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.613 0.958 0.508 1.00 0.00 C ATOM 1004 C ALA A 60 0.039 1.403 -0.805 1.00 0.00 C ATOM 1005 O ALA A 60 0.785 2.360 -0.838 1.00 0.00 O ATOM 1006 CB ALA A 60 -0.065 -0.415 0.904 1.00 0.00 C ATOM 0 H ALA A 60 -2.490 -0.053 0.519 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.382 1.690 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.017 -0.356 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.512 -0.727 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.309 -1.142 0.129 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.215 0.714 -1.886 1.00 0.00 N ATOM 1013 CA ILE A 61 0.421 1.111 -3.178 1.00 0.00 C ATOM 1014 C ILE A 61 -0.112 2.476 -3.626 1.00 0.00 C ATOM 1015 O ILE A 61 0.634 3.336 -4.054 1.00 0.00 O ATOM 1016 CB ILE A 61 0.123 0.046 -4.248 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.212 0.081 -5.324 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.236 0.311 -4.903 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.932 -1.005 -6.365 1.00 0.00 C ATOM 0 H ILE A 61 -0.829 -0.099 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 61 1.500 1.186 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 61 0.104 -0.933 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.236 1.061 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.191 -0.077 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.431 -0.451 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.018 0.279 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.227 1.294 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.706 -0.982 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.930 -1.981 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.040 -0.826 -6.825 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.397 2.681 -3.539 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.977 3.982 -3.969 1.00 0.00 C ATOM 1033 C CYS A 62 -1.266 5.135 -3.256 1.00 0.00 C ATOM 1034 O CYS A 62 -0.680 5.995 -3.883 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.468 4.011 -3.630 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.364 2.942 -4.783 1.00 0.00 S ATOM 0 H CYS A 62 -2.071 2.001 -3.188 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.844 4.095 -5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.626 3.674 -2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.847 5.031 -3.692 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.372 1.724 -4.328 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.316 5.170 -1.953 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.642 6.281 -1.227 1.00 0.00 C ATOM 1044 C ARG A 63 0.862 6.220 -1.476 1.00 0.00 C ATOM 1045 O ARG A 63 1.485 7.224 -1.749 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.925 6.181 0.267 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.178 4.984 0.861 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.774 4.633 2.226 1.00 0.00 C ATOM 1049 NE ARG A 63 0.064 3.591 2.881 1.00 0.00 N ATOM 1050 CZ ARG A 63 -0.022 3.399 4.170 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -0.843 4.120 4.883 1.00 0.00 N ATOM 1052 NH2 ARG A 63 0.713 2.486 4.744 1.00 0.00 N ATOM 0 H ARG A 63 -1.790 4.484 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.029 7.231 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.615 7.099 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.996 6.072 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.251 4.128 0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.881 5.219 0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.822 5.523 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.795 4.271 2.107 1.00 0.00 H new ATOM 0 HE ARG A 63 0.705 3.027 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.417 4.833 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.911 3.970 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.354 1.923 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.646 2.336 5.751 1.00 0.00 H new ATOM 1066 N LYS A 64 1.455 5.053 -1.405 1.00 0.00 N ATOM 1067 CA LYS A 64 2.921 4.959 -1.667 1.00 0.00 C ATOM 1068 C LYS A 64 3.221 5.833 -2.881 1.00 0.00 C ATOM 1069 O LYS A 64 4.212 6.533 -2.938 1.00 0.00 O ATOM 1070 CB LYS A 64 3.309 3.505 -1.961 1.00 0.00 C ATOM 1071 CG LYS A 64 4.829 3.394 -2.154 1.00 0.00 C ATOM 1072 CD LYS A 64 5.513 3.198 -0.798 1.00 0.00 C ATOM 1073 CE LYS A 64 7.026 3.364 -0.958 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.567 2.232 -1.762 1.00 0.00 N ATOM 0 H LYS A 64 0.992 4.172 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 64 3.490 5.293 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.991 2.862 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.794 3.157 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.061 2.557 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.210 4.294 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.131 3.923 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.285 2.208 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.249 4.312 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.505 3.391 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.606 2.269 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.250 1.331 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.222 2.305 -2.740 1.00 0.00 H new ATOM 1088 N ALA A 65 2.340 5.808 -3.842 1.00 0.00 N ATOM 1089 CA ALA A 65 2.524 6.647 -5.051 1.00 0.00 C ATOM 1090 C ALA A 65 2.220 8.104 -4.688 1.00 0.00 C ATOM 1091 O ALA A 65 2.877 9.016 -5.148 1.00 0.00 O ATOM 1092 CB ALA A 65 1.565 6.184 -6.150 1.00 0.00 C ATOM 0 H ALA A 65 1.495 5.237 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 65 3.549 6.558 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.702 6.802 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.771 5.143 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.537 6.277 -5.799 1.00 0.00 H new ATOM 1098 N ALA A 66 1.225 8.332 -3.866 1.00 0.00 N ATOM 1099 CA ALA A 66 0.887 9.734 -3.484 1.00 0.00 C ATOM 1100 C ALA A 66 2.094 10.389 -2.809 1.00 0.00 C ATOM 1101 O ALA A 66 2.390 11.545 -3.032 1.00 0.00 O ATOM 1102 CB ALA A 66 -0.297 9.730 -2.515 1.00 0.00 C ATOM 0 H ALA A 66 0.637 7.612 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 66 0.623 10.297 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.543 10.755 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.159 9.268 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.034 9.165 -1.621 1.00 0.00 H new ATOM 1108 N LYS A 67 2.791 9.661 -1.980 1.00 0.00 N ATOM 1109 CA LYS A 67 3.976 10.243 -1.288 1.00 0.00 C ATOM 1110 C LYS A 67 5.105 10.451 -2.300 1.00 0.00 C ATOM 1111 O LYS A 67 5.809 11.440 -2.265 1.00 0.00 O ATOM 1112 CB LYS A 67 4.435 9.285 -0.177 1.00 0.00 C ATOM 1113 CG LYS A 67 4.433 10.012 1.171 1.00 0.00 C ATOM 1114 CD LYS A 67 5.053 9.108 2.239 1.00 0.00 C ATOM 1115 CE LYS A 67 4.745 9.672 3.628 1.00 0.00 C ATOM 1116 NZ LYS A 67 5.028 11.135 3.643 1.00 0.00 N ATOM 0 H LYS A 67 2.591 8.687 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 67 3.712 11.204 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.773 8.420 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.435 8.911 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.996 10.942 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.414 10.278 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.656 8.097 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.131 9.041 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.701 9.490 3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.350 9.166 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.134 11.458 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.906 11.324 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.241 11.645 3.194 1.00 0.00 H new ATOM 1130 N ALA A 68 5.282 9.524 -3.198 1.00 0.00 N ATOM 1131 CA ALA A 68 6.365 9.664 -4.212 1.00 0.00 C ATOM 1132 C ALA A 68 6.281 11.047 -4.861 1.00 0.00 C ATOM 1133 O ALA A 68 7.172 11.465 -5.574 1.00 0.00 O ATOM 1134 CB ALA A 68 6.200 8.586 -5.285 1.00 0.00 C ATOM 0 H ALA A 68 4.723 8.674 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 68 7.334 9.549 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.992 8.687 -6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.260 7.601 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.231 8.701 -5.770 1.00 0.00 H new ATOM 1140 N ILE A 69 5.215 11.762 -4.621 1.00 0.00 N ATOM 1141 CA ILE A 69 5.074 13.116 -5.223 1.00 0.00 C ATOM 1142 C ILE A 69 6.327 13.941 -4.922 1.00 0.00 C ATOM 1143 O ILE A 69 6.675 14.848 -5.652 1.00 0.00 O ATOM 1144 CB ILE A 69 3.828 13.803 -4.641 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.544 15.115 -5.404 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.031 14.082 -3.145 1.00 0.00 C ATOM 1147 CD1 ILE A 69 4.159 16.314 -4.673 1.00 0.00 C ATOM 0 H ILE A 69 4.436 11.465 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 69 4.960 13.032 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 69 2.969 13.142 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.952 15.050 -6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.468 15.257 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.143 14.569 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.200 13.142 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.895 14.733 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.946 17.227 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.731 16.389 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.238 16.179 -4.596 1.00 0.00 H new ATOM 1239 N LYS A 75 1.299 15.756 -11.531 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.141 16.104 -11.366 1.00 0.00 C ATOM 1241 C LYS A 75 -1.000 14.864 -11.624 1.00 0.00 C ATOM 1242 O LYS A 75 -0.900 14.232 -12.656 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.519 17.200 -12.367 1.00 0.00 C ATOM 1244 CG LYS A 75 -2.029 17.446 -12.312 1.00 0.00 C ATOM 1245 CD LYS A 75 -2.356 18.776 -12.995 1.00 0.00 C ATOM 1246 CE LYS A 75 -1.837 18.754 -14.434 1.00 0.00 C ATOM 1247 NZ LYS A 75 -2.501 19.833 -15.218 1.00 0.00 N ATOM 0 HA LYS A 75 -0.313 16.461 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.018 18.120 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.225 16.904 -13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.559 16.632 -12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.367 17.464 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.433 18.945 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.901 19.600 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.756 18.895 -14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.036 17.784 -14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.148 19.818 -16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.530 19.679 -15.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.289 20.756 -14.787 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.845 14.512 -10.692 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.710 13.315 -10.882 1.00 0.00 C ATOM 1263 C ARG A 76 -1.853 12.129 -11.329 1.00 0.00 C ATOM 1264 O ARG A 76 -1.542 11.979 -12.494 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.766 13.612 -11.948 1.00 0.00 C ATOM 1266 CG ARG A 76 -4.716 14.701 -11.442 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.974 14.729 -12.313 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.602 14.472 -13.733 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.523 14.470 -14.658 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -7.768 14.694 -14.339 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -6.198 14.242 -15.901 1.00 0.00 N ATOM 0 H ARG A 76 -1.973 15.003 -9.807 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.203 13.071 -9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.284 13.936 -12.871 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.326 12.707 -12.181 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.985 14.509 -10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.221 15.672 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.683 13.976 -11.970 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.469 15.696 -12.225 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.628 14.298 -13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.022 14.871 -13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.488 14.693 -15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.225 14.065 -16.149 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.917 14.240 -16.624 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.467 11.284 -10.413 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.629 10.112 -10.788 1.00 0.00 C ATOM 1287 C ILE A 77 -1.485 9.087 -11.536 1.00 0.00 C ATOM 1288 O ILE A 77 -2.412 8.519 -10.989 1.00 0.00 O ATOM 1289 CB ILE A 77 -0.050 9.469 -9.527 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.711 10.526 -8.722 1.00 0.00 C ATOM 1291 CG2 ILE A 77 0.906 8.345 -9.921 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.169 9.924 -7.394 1.00 0.00 C ATOM 0 H ILE A 77 -1.696 11.355 -9.422 1.00 0.00 H new ATOM 0 HA ILE A 77 0.186 10.444 -11.432 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.860 9.061 -8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.572 10.880 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.072 11.390 -8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.319 7.887 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.366 7.593 -10.497 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.716 8.752 -10.526 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.711 10.677 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.300 9.592 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.823 9.074 -7.586 1.00 0.00 H new ATOM 1304 N THR A 78 -1.182 8.845 -12.783 1.00 0.00 N ATOM 1305 CA THR A 78 -1.973 7.855 -13.566 1.00 0.00 C ATOM 1306 C THR A 78 -1.407 6.454 -13.331 1.00 0.00 C ATOM 1307 O THR A 78 -0.209 6.267 -13.253 1.00 0.00 O ATOM 1308 CB THR A 78 -1.887 8.196 -15.057 1.00 0.00 C ATOM 1309 OG1 THR A 78 -2.201 9.569 -15.246 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.879 7.333 -15.839 1.00 0.00 C ATOM 0 H THR A 78 -0.420 9.291 -13.293 1.00 0.00 H new ATOM 0 HA THR A 78 -3.015 7.887 -13.246 1.00 0.00 H new ATOM 0 HB THR A 78 -0.877 8.000 -15.416 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.145 9.789 -16.199 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.816 7.577 -16.899 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.638 6.280 -15.694 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.890 7.526 -15.481 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.257 5.467 -13.212 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.763 4.077 -12.977 1.00 0.00 C ATOM 1320 C VAL A 79 -2.481 3.109 -13.923 1.00 0.00 C ATOM 1321 O VAL A 79 -3.679 3.181 -14.107 1.00 0.00 O ATOM 1322 CB VAL A 79 -2.047 3.683 -11.525 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.221 2.454 -11.147 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.680 4.846 -10.602 1.00 0.00 C ATOM 0 H VAL A 79 -3.271 5.563 -13.267 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.690 4.032 -13.166 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.106 3.449 -11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.429 2.180 -10.113 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.484 1.623 -11.802 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.160 2.681 -11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.882 4.567 -9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.621 5.080 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.275 5.721 -10.865 1.00 0.00 H new ATOM 1334 N THR A 80 -1.751 2.203 -14.524 1.00 0.00 N ATOM 1335 CA THR A 80 -2.378 1.224 -15.463 1.00 0.00 C ATOM 1336 C THR A 80 -1.994 -0.198 -15.045 1.00 0.00 C ATOM 1337 O THR A 80 -2.669 -0.823 -14.254 1.00 0.00 O ATOM 1338 CB THR A 80 -1.883 1.491 -16.887 1.00 0.00 C ATOM 1339 OG1 THR A 80 -1.870 0.273 -17.618 1.00 0.00 O ATOM 1340 CG2 THR A 80 -0.469 2.074 -16.840 1.00 0.00 C ATOM 0 H THR A 80 -0.743 2.099 -14.404 1.00 0.00 H new ATOM 0 HA THR A 80 -3.462 1.332 -15.432 1.00 0.00 H new ATOM 0 HB THR A 80 -2.550 2.202 -17.375 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.555 0.442 -18.530 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.119 2.263 -17.855 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.479 3.009 -16.280 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.200 1.366 -16.352 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.914 -0.715 -15.571 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.487 -2.099 -15.199 1.00 0.00 C ATOM 1350 C GLU A 81 1.043 -2.168 -15.125 1.00 0.00 C ATOM 1351 O GLU A 81 1.599 -2.945 -14.375 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.999 -3.096 -16.243 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.377 -2.782 -17.606 1.00 0.00 C ATOM 1354 CD GLU A 81 -0.958 -3.726 -18.660 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -2.141 -3.617 -18.937 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -0.210 -4.543 -19.172 1.00 0.00 O ATOM 0 H GLU A 81 -0.309 -0.240 -16.241 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.905 -2.353 -14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.746 -4.113 -15.943 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.086 -3.043 -16.308 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.578 -1.746 -17.880 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.706 -2.895 -17.558 1.00 0.00 H new ATOM 1363 N LYS A 82 1.730 -1.359 -15.887 1.00 0.00 N ATOM 1364 CA LYS A 82 3.219 -1.383 -15.843 1.00 0.00 C ATOM 1365 C LYS A 82 3.699 -0.591 -14.623 1.00 0.00 C ATOM 1366 O LYS A 82 4.460 -1.080 -13.811 1.00 0.00 O ATOM 1367 CB LYS A 82 3.781 -0.742 -17.114 1.00 0.00 C ATOM 1368 CG LYS A 82 3.232 -1.472 -18.343 1.00 0.00 C ATOM 1369 CD LYS A 82 3.901 -0.922 -19.604 1.00 0.00 C ATOM 1370 CE LYS A 82 3.463 -1.745 -20.816 1.00 0.00 C ATOM 1371 NZ LYS A 82 4.033 -3.119 -20.715 1.00 0.00 N ATOM 0 H LYS A 82 1.325 -0.685 -16.536 1.00 0.00 H new ATOM 0 HA LYS A 82 3.564 -2.415 -15.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.508 0.313 -17.153 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.870 -0.789 -17.107 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.419 -2.542 -18.257 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.152 -1.341 -18.405 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.630 0.124 -19.745 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.985 -0.959 -19.499 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.375 -1.793 -20.862 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.800 -1.266 -21.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.066 -3.552 -21.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.995 -3.068 -20.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.436 -3.697 -20.090 1.00 0.00 H new ATOM 1385 N ASN A 83 3.253 0.628 -14.488 1.00 0.00 N ATOM 1386 CA ASN A 83 3.672 1.460 -13.323 1.00 0.00 C ATOM 1387 C ASN A 83 3.550 0.641 -12.036 1.00 0.00 C ATOM 1388 O ASN A 83 4.372 0.742 -11.145 1.00 0.00 O ATOM 1389 CB ASN A 83 2.773 2.693 -13.229 1.00 0.00 C ATOM 1390 CG ASN A 83 2.600 3.309 -14.619 1.00 0.00 C ATOM 1391 OD1 ASN A 83 3.261 2.913 -15.559 1.00 0.00 O ATOM 1392 ND2 ASN A 83 1.732 4.268 -14.791 1.00 0.00 N ATOM 0 H ASN A 83 2.613 1.086 -15.137 1.00 0.00 H new ATOM 0 HA ASN A 83 4.708 1.773 -13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.802 2.417 -12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.210 3.423 -12.548 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.609 4.685 -15.714 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.177 4.601 -14.003 1.00 0.00 H new ATOM 1399 N LEU A 84 2.524 -0.160 -11.929 1.00 0.00 N ATOM 1400 CA LEU A 84 2.330 -0.984 -10.697 1.00 0.00 C ATOM 1401 C LEU A 84 3.683 -1.511 -10.213 1.00 0.00 C ATOM 1402 O LEU A 84 4.059 -1.321 -9.073 1.00 0.00 O ATOM 1403 CB LEU A 84 1.406 -2.165 -11.011 1.00 0.00 C ATOM 1404 CG LEU A 84 -0.046 -1.683 -11.125 1.00 0.00 C ATOM 1405 CD1 LEU A 84 -0.522 -1.109 -9.782 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -0.143 -0.602 -12.204 1.00 0.00 C ATOM 0 H LEU A 84 1.807 -0.281 -12.645 1.00 0.00 H new ATOM 0 HA LEU A 84 1.881 -0.368 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.714 -2.640 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.487 -2.918 -10.227 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.679 -2.529 -11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.554 -0.770 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.462 -1.881 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.112 -0.268 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.175 -0.260 -12.285 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.498 0.238 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.179 -1.013 -13.161 1.00 0.00 H new ATOM 1418 N GLN A 85 4.421 -2.163 -11.067 1.00 0.00 N ATOM 1419 CA GLN A 85 5.750 -2.686 -10.647 1.00 0.00 C ATOM 1420 C GLN A 85 6.603 -1.523 -10.139 1.00 0.00 C ATOM 1421 O GLN A 85 7.327 -1.643 -9.171 1.00 0.00 O ATOM 1422 CB GLN A 85 6.443 -3.345 -11.843 1.00 0.00 C ATOM 1423 CG GLN A 85 5.671 -4.600 -12.253 1.00 0.00 C ATOM 1424 CD GLN A 85 6.455 -5.352 -13.332 1.00 0.00 C ATOM 1425 OE1 GLN A 85 7.232 -4.763 -14.055 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.280 -6.638 -13.471 1.00 0.00 N ATOM 0 H GLN A 85 4.162 -2.356 -12.035 1.00 0.00 H new ATOM 0 HA GLN A 85 5.623 -3.424 -9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.492 -2.646 -12.678 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.469 -3.605 -11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.515 -5.243 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.685 -4.327 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.627 -7.132 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.796 -7.148 -14.187 1.00 0.00 H new ATOM 1435 N ASP A 86 6.520 -0.395 -10.788 1.00 0.00 N ATOM 1436 CA ASP A 86 7.319 0.784 -10.352 1.00 0.00 C ATOM 1437 C ASP A 86 6.986 1.129 -8.898 1.00 0.00 C ATOM 1438 O ASP A 86 7.851 1.494 -8.125 1.00 0.00 O ATOM 1439 CB ASP A 86 6.991 1.981 -11.248 1.00 0.00 C ATOM 1440 CG ASP A 86 8.068 3.055 -11.083 1.00 0.00 C ATOM 1441 OD1 ASP A 86 7.960 3.837 -10.152 1.00 0.00 O ATOM 1442 OD2 ASP A 86 8.984 3.077 -11.889 1.00 0.00 O ATOM 0 H ASP A 86 5.930 -0.239 -11.605 1.00 0.00 H new ATOM 0 HA ASP A 86 8.380 0.548 -10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.935 1.664 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.014 2.388 -10.986 1.00 0.00 H new ATOM 1447 N PHE A 87 5.742 1.022 -8.515 1.00 0.00 N ATOM 1448 CA PHE A 87 5.367 1.351 -7.110 1.00 0.00 C ATOM 1449 C PHE A 87 5.757 0.190 -6.200 1.00 0.00 C ATOM 1450 O PHE A 87 6.464 0.358 -5.227 1.00 0.00 O ATOM 1451 CB PHE A 87 3.855 1.579 -7.018 1.00 0.00 C ATOM 1452 CG PHE A 87 3.474 2.825 -7.785 1.00 0.00 C ATOM 1453 CD1 PHE A 87 3.969 4.072 -7.386 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.623 2.734 -8.894 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.615 5.226 -8.096 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.269 3.887 -9.602 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.765 5.133 -9.204 1.00 0.00 C ATOM 0 H PHE A 87 4.972 0.722 -9.112 1.00 0.00 H new ATOM 0 HA PHE A 87 5.889 2.256 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.323 0.717 -7.421 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.556 1.678 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.624 4.144 -6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.240 1.773 -9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.998 6.188 -7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.612 3.815 -10.456 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.492 6.023 -9.752 1.00 0.00 H new ATOM 1467 N ILE A 88 5.299 -0.990 -6.512 1.00 0.00 N ATOM 1468 CA ILE A 88 5.639 -2.167 -5.669 1.00 0.00 C ATOM 1469 C ILE A 88 7.083 -2.593 -5.954 1.00 0.00 C ATOM 1470 O ILE A 88 7.923 -2.594 -5.075 1.00 0.00 O ATOM 1471 CB ILE A 88 4.665 -3.306 -5.992 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.488 -3.269 -5.012 1.00 0.00 C ATOM 1473 CG2 ILE A 88 5.370 -4.659 -5.886 1.00 0.00 C ATOM 1474 CD1 ILE A 88 2.368 -4.176 -5.523 1.00 0.00 C ATOM 0 H ILE A 88 4.703 -1.189 -7.316 1.00 0.00 H new ATOM 0 HA ILE A 88 5.553 -1.915 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 88 4.301 -3.176 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.813 -3.596 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.123 -2.248 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.664 -5.456 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.201 -4.693 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.749 -4.794 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.531 -4.149 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.036 -3.828 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.737 -5.198 -5.607 1.00 0.00 H new ATOM 1486 N GLY A 89 7.378 -2.954 -7.176 1.00 0.00 N ATOM 1487 CA GLY A 89 8.766 -3.382 -7.523 1.00 0.00 C ATOM 1488 C GLY A 89 8.722 -4.751 -8.206 1.00 0.00 C ATOM 1489 O GLY A 89 8.717 -4.850 -9.418 1.00 0.00 O ATOM 0 H GLY A 89 6.715 -2.971 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.230 -2.649 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.378 -3.432 -6.623 1.00 0.00 H new ATOM 1493 N LYS A 90 8.690 -5.807 -7.435 1.00 0.00 N ATOM 1494 CA LYS A 90 8.647 -7.178 -8.029 1.00 0.00 C ATOM 1495 C LYS A 90 7.314 -7.844 -7.671 1.00 0.00 C ATOM 1496 O LYS A 90 6.451 -7.238 -7.067 1.00 0.00 O ATOM 1497 CB LYS A 90 9.810 -8.014 -7.476 1.00 0.00 C ATOM 1498 CG LYS A 90 10.217 -7.489 -6.095 1.00 0.00 C ATOM 1499 CD LYS A 90 11.339 -8.363 -5.525 1.00 0.00 C ATOM 1500 CE LYS A 90 12.071 -7.604 -4.415 1.00 0.00 C ATOM 1501 NZ LYS A 90 13.263 -8.386 -3.981 1.00 0.00 N ATOM 0 H LYS A 90 8.692 -5.779 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 90 8.738 -7.110 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.515 -9.061 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.659 -7.968 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.551 -6.454 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.358 -7.498 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.926 -9.292 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.039 -8.635 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.378 -6.621 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.403 -7.441 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.761 -7.871 -3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.958 -9.314 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.903 -8.520 -4.789 1.00 0.00 H new ATOM 1515 N ARG A 91 7.142 -9.086 -8.040 1.00 0.00 N ATOM 1516 CA ARG A 91 5.866 -9.797 -7.726 1.00 0.00 C ATOM 1517 C ARG A 91 6.180 -11.164 -7.115 1.00 0.00 C ATOM 1518 O ARG A 91 7.244 -11.379 -6.568 1.00 0.00 O ATOM 1519 CB ARG A 91 5.059 -9.986 -9.012 1.00 0.00 C ATOM 1520 CG ARG A 91 4.802 -8.624 -9.660 1.00 0.00 C ATOM 1521 CD ARG A 91 3.747 -8.771 -10.757 1.00 0.00 C ATOM 1522 NE ARG A 91 3.566 -7.465 -11.450 1.00 0.00 N ATOM 1523 CZ ARG A 91 2.806 -6.545 -10.921 1.00 0.00 C ATOM 1524 NH1 ARG A 91 2.205 -6.768 -9.783 1.00 0.00 N ATOM 1525 NH2 ARG A 91 2.647 -5.401 -11.528 1.00 0.00 N ATOM 0 H ARG A 91 7.832 -9.641 -8.547 1.00 0.00 H new ATOM 0 HA ARG A 91 5.286 -9.207 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.601 -10.632 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.113 -10.479 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.464 -7.910 -8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.727 -8.229 -10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.054 -9.535 -11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.802 -9.100 -10.326 1.00 0.00 H new ATOM 0 HE ARG A 91 4.036 -7.290 -12.338 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.329 -7.662 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.611 -6.049 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.117 -5.225 -12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.053 -4.682 -11.114 1.00 0.00 H new ATOM 1539 N ILE A 92 5.260 -12.090 -7.201 1.00 0.00 N ATOM 1540 CA ILE A 92 5.501 -13.445 -6.621 1.00 0.00 C ATOM 1541 C ILE A 92 5.011 -14.514 -7.603 1.00 0.00 C ATOM 1542 O ILE A 92 5.748 -15.399 -7.989 1.00 0.00 O ATOM 1543 CB ILE A 92 4.735 -13.578 -5.301 1.00 0.00 C ATOM 1544 CG1 ILE A 92 5.371 -12.667 -4.247 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.794 -15.029 -4.817 1.00 0.00 C ATOM 1546 CD1 ILE A 92 4.436 -12.555 -3.040 1.00 0.00 C ATOM 0 H ILE A 92 4.352 -11.966 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 92 6.567 -13.578 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 92 3.696 -13.288 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.336 -13.069 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.558 -11.680 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.249 -15.122 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.342 -15.681 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.833 -15.319 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.887 -11.907 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.482 -12.134 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.272 -13.545 -2.614 1.00 0.00 H new ATOM 1558 N PHE A 93 3.772 -14.439 -8.006 1.00 0.00 N ATOM 1559 CA PHE A 93 3.236 -15.452 -8.959 1.00 0.00 C ATOM 1560 C PHE A 93 3.802 -15.190 -10.356 1.00 0.00 C ATOM 1561 O PHE A 93 3.601 -14.139 -10.930 1.00 0.00 O ATOM 1562 CB PHE A 93 1.708 -15.355 -8.999 1.00 0.00 C ATOM 1563 CG PHE A 93 1.142 -15.775 -7.663 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.278 -14.936 -6.550 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.479 -17.003 -7.536 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.753 -15.325 -5.311 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.046 -17.390 -6.297 1.00 0.00 C ATOM 1568 CZ PHE A 93 0.091 -16.551 -5.185 1.00 0.00 C ATOM 0 H PHE A 93 3.108 -13.721 -7.717 1.00 0.00 H new ATOM 0 HA PHE A 93 3.529 -16.450 -8.632 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.404 -14.334 -9.230 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.313 -15.992 -9.790 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.788 -13.989 -6.647 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.373 -17.651 -8.394 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.859 -14.678 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.557 -18.336 -6.199 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.314 -16.850 -4.230 1.00 0.00 H new ATOM 1578 N ARG A 94 4.508 -16.140 -10.907 1.00 0.00 N ATOM 1579 CA ARG A 94 5.088 -15.946 -12.267 1.00 0.00 C ATOM 1580 C ARG A 94 4.046 -16.311 -13.325 1.00 0.00 C ATOM 1581 O ARG A 94 4.191 -17.279 -14.044 1.00 0.00 O ATOM 1582 CB ARG A 94 6.316 -16.843 -12.430 1.00 0.00 C ATOM 1583 CG ARG A 94 7.103 -16.411 -13.669 1.00 0.00 C ATOM 1584 CD ARG A 94 8.247 -17.397 -13.919 1.00 0.00 C ATOM 1585 NE ARG A 94 8.798 -17.182 -15.287 1.00 0.00 N ATOM 1586 CZ ARG A 94 8.105 -17.540 -16.333 1.00 0.00 C ATOM 1587 NH1 ARG A 94 6.930 -18.087 -16.184 1.00 0.00 N ATOM 1588 NH2 ARG A 94 8.589 -17.351 -17.532 1.00 0.00 N ATOM 0 H ARG A 94 4.708 -17.042 -10.474 1.00 0.00 H new ATOM 0 HA ARG A 94 5.380 -14.903 -12.391 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.947 -16.778 -11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.009 -17.884 -12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.444 -16.375 -14.537 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.500 -15.406 -13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.030 -17.258 -13.174 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.888 -18.421 -13.817 1.00 0.00 H new ATOM 0 HE ARG A 94 9.717 -16.755 -15.406 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.551 -18.235 -15.249 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.390 -18.366 -17.003 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.508 -16.924 -17.650 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.048 -17.631 -18.350 1.00 0.00 H new ATOM 1602 N TYR A 95 2.997 -15.542 -13.427 1.00 0.00 N ATOM 1603 CA TYR A 95 1.944 -15.840 -14.440 1.00 0.00 C ATOM 1604 C TYR A 95 1.557 -17.321 -14.353 1.00 0.00 C ATOM 1605 O TYR A 95 2.217 -18.179 -14.904 1.00 0.00 O ATOM 1606 CB TYR A 95 2.486 -15.520 -15.844 1.00 0.00 C ATOM 1607 CG TYR A 95 1.544 -14.575 -16.556 1.00 0.00 C ATOM 1608 CD1 TYR A 95 0.199 -14.925 -16.728 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.015 -13.349 -17.043 1.00 0.00 C ATOM 1610 CE1 TYR A 95 -0.674 -14.051 -17.386 1.00 0.00 C ATOM 1611 CE2 TYR A 95 1.142 -12.475 -17.700 1.00 0.00 C ATOM 1612 CZ TYR A 95 -0.203 -12.825 -17.873 1.00 0.00 C ATOM 1613 OH TYR A 95 -1.062 -11.963 -18.520 1.00 0.00 O ATOM 0 H TYR A 95 2.823 -14.718 -12.851 1.00 0.00 H new ATOM 0 HA TYR A 95 1.062 -15.229 -14.247 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.476 -15.071 -15.767 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.596 -16.439 -16.419 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -0.165 -15.870 -16.353 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.052 -13.078 -16.911 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.711 -14.322 -17.518 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.506 -11.529 -18.074 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.574 -11.158 -18.793 1.00 0.00 H new