USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=21 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 32 GLN :FLIP amide:sc= -0.501 F(o=-1.7,f=-0.25) USER MOD Set 1.2: A 78 THR OG1 : rot -61:sc= 0.255 USER MOD Set 2.1: A 20 GLN : amide:sc= -6.2! C(o=-23!,f=-31!) USER MOD Set 2.2: A 24 HIS : no HD1:sc= -12.7! C(o=-23!,f=-30!) USER MOD Set 2.3: A 62 CYS SG : rot 80:sc= -3.69 USER MOD Single : A 4 THR OG1 : rot -121:sc= -1.59! USER MOD Single : A 8 LYS NZ :NH3+ 143:sc= -0.546 (180deg=-0.639) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -5.15! C(o=-7.8!,f=-5.2!) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.816) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.0131 (180deg=-0.176) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= 0 (180deg=-1.75) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.85! X(o=-3.9!,f=-3.7) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.54 USER MOD Single : A 46 THR OG1 : rot -34:sc= 0.9 USER MOD Single : A 53 SER OG : rot 140:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.8!) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc=-0.00547 (180deg=-0.192) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= -1.9 (180deg=-2.25) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0531) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= -3.06! (180deg=-3.24!) USER MOD Single : A 83 ASN : amide:sc= -3.13! C(o=-3.1!,f=-6.6!) USER MOD Single : A 85 GLN : amide:sc= -0.062 K(o=-0.062,f=-2.1!) USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.283 (180deg=-1.18) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N THR A 4 -17.901 -13.165 -1.033 1.00 0.00 N ATOM 40 CA THR A 4 -17.913 -13.965 -2.293 1.00 0.00 C ATOM 41 C THR A 4 -17.008 -13.291 -3.326 1.00 0.00 C ATOM 42 O THR A 4 -16.829 -12.088 -3.317 1.00 0.00 O ATOM 43 CB THR A 4 -19.342 -14.038 -2.839 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.897 -12.732 -2.885 1.00 0.00 O ATOM 45 CG2 THR A 4 -20.195 -14.925 -1.929 1.00 0.00 C ATOM 0 HA THR A 4 -17.551 -14.973 -2.089 1.00 0.00 H new ATOM 0 HB THR A 4 -19.325 -14.462 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.706 -12.701 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.211 -14.976 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.769 -15.928 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.213 -14.504 -0.924 1.00 0.00 H new ATOM 53 N GLU A 5 -16.436 -14.054 -4.213 1.00 0.00 N ATOM 54 CA GLU A 5 -15.539 -13.458 -5.245 1.00 0.00 C ATOM 55 C GLU A 5 -16.209 -12.226 -5.860 1.00 0.00 C ATOM 56 O GLU A 5 -15.589 -11.196 -6.035 1.00 0.00 O ATOM 57 CB GLU A 5 -15.265 -14.496 -6.341 1.00 0.00 C ATOM 58 CG GLU A 5 -14.025 -15.318 -5.976 1.00 0.00 C ATOM 59 CD GLU A 5 -12.766 -14.501 -6.273 1.00 0.00 C ATOM 60 OE1 GLU A 5 -12.740 -13.841 -7.299 1.00 0.00 O ATOM 61 OE2 GLU A 5 -11.848 -14.550 -5.471 1.00 0.00 O ATOM 0 H GLU A 5 -16.550 -15.066 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.598 -13.161 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.127 -15.153 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.113 -13.997 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.054 -15.591 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.011 -16.247 -6.545 1.00 0.00 H new ATOM 68 N ILE A 6 -17.466 -12.325 -6.195 1.00 0.00 N ATOM 69 CA ILE A 6 -18.167 -11.163 -6.803 1.00 0.00 C ATOM 70 C ILE A 6 -18.270 -10.028 -5.781 1.00 0.00 C ATOM 71 O ILE A 6 -18.091 -8.871 -6.108 1.00 0.00 O ATOM 72 CB ILE A 6 -19.569 -11.596 -7.239 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.173 -12.522 -6.180 1.00 0.00 C ATOM 74 CG2 ILE A 6 -19.483 -12.341 -8.572 1.00 0.00 C ATOM 75 CD1 ILE A 6 -21.672 -12.684 -6.438 1.00 0.00 C ATOM 0 H ILE A 6 -18.037 -13.161 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 6 -17.607 -10.810 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.199 -10.714 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.681 -13.494 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.007 -12.110 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -20.482 -12.649 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -19.055 -11.684 -9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -18.851 -13.222 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -22.102 -13.343 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.157 -11.709 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -21.826 -13.115 -7.427 1.00 0.00 H new ATOM 87 N GLU A 7 -18.553 -10.343 -4.549 1.00 0.00 N ATOM 88 CA GLU A 7 -18.660 -9.273 -3.519 1.00 0.00 C ATOM 89 C GLU A 7 -17.329 -8.524 -3.436 1.00 0.00 C ATOM 90 O GLU A 7 -17.250 -7.344 -3.709 1.00 0.00 O ATOM 91 CB GLU A 7 -18.987 -9.900 -2.159 1.00 0.00 C ATOM 92 CG GLU A 7 -20.497 -10.123 -2.044 1.00 0.00 C ATOM 93 CD GLU A 7 -20.790 -11.015 -0.836 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.216 -10.766 0.212 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.584 -11.930 -0.977 1.00 0.00 O ATOM 0 H GLU A 7 -18.714 -11.292 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.454 -8.578 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.460 -10.848 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.643 -9.249 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.009 -9.167 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.877 -10.588 -2.954 1.00 0.00 H new ATOM 102 N LYS A 8 -16.283 -9.206 -3.060 1.00 0.00 N ATOM 103 CA LYS A 8 -14.955 -8.539 -2.957 1.00 0.00 C ATOM 104 C LYS A 8 -14.657 -7.772 -4.246 1.00 0.00 C ATOM 105 O LYS A 8 -14.119 -6.687 -4.217 1.00 0.00 O ATOM 106 CB LYS A 8 -13.868 -9.590 -2.733 1.00 0.00 C ATOM 107 CG LYS A 8 -14.189 -10.401 -1.474 1.00 0.00 C ATOM 108 CD LYS A 8 -13.011 -11.324 -1.133 1.00 0.00 C ATOM 109 CE LYS A 8 -13.110 -12.615 -1.949 1.00 0.00 C ATOM 110 NZ LYS A 8 -14.256 -13.430 -1.456 1.00 0.00 N ATOM 0 H LYS A 8 -16.290 -10.197 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.971 -7.844 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.804 -10.251 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.897 -9.107 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.389 -9.729 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.091 -10.992 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.069 -10.820 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.015 -11.555 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.245 -12.381 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.183 -13.183 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.720 -13.899 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.909 -14.149 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.940 -12.812 -0.974 1.00 0.00 H new ATOM 124 N LEU A 9 -14.991 -8.325 -5.379 1.00 0.00 N ATOM 125 CA LEU A 9 -14.708 -7.615 -6.658 1.00 0.00 C ATOM 126 C LEU A 9 -15.517 -6.315 -6.718 1.00 0.00 C ATOM 127 O LEU A 9 -14.999 -5.266 -7.044 1.00 0.00 O ATOM 128 CB LEU A 9 -15.092 -8.519 -7.838 1.00 0.00 C ATOM 129 CG LEU A 9 -14.222 -8.189 -9.055 1.00 0.00 C ATOM 130 CD1 LEU A 9 -14.615 -9.097 -10.223 1.00 0.00 C ATOM 131 CD2 LEU A 9 -14.426 -6.724 -9.456 1.00 0.00 C ATOM 0 H LEU A 9 -15.445 -9.233 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.646 -7.377 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.964 -9.566 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.145 -8.381 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.174 -8.350 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.997 -8.863 -11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.465 -10.139 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.664 -8.936 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.805 -6.494 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.474 -6.558 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.144 -6.077 -8.625 1.00 0.00 H new ATOM 143 N GLU A 10 -16.782 -6.377 -6.413 1.00 0.00 N ATOM 144 CA GLU A 10 -17.621 -5.145 -6.463 1.00 0.00 C ATOM 145 C GLU A 10 -17.031 -4.069 -5.547 1.00 0.00 C ATOM 146 O GLU A 10 -16.734 -2.974 -5.979 1.00 0.00 O ATOM 147 CB GLU A 10 -19.044 -5.478 -6.010 1.00 0.00 C ATOM 148 CG GLU A 10 -19.773 -6.233 -7.125 1.00 0.00 C ATOM 149 CD GLU A 10 -20.046 -5.285 -8.295 1.00 0.00 C ATOM 150 OE1 GLU A 10 -20.879 -4.406 -8.137 1.00 0.00 O ATOM 151 OE2 GLU A 10 -19.419 -5.453 -9.327 1.00 0.00 O ATOM 0 H GLU A 10 -17.272 -7.226 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.641 -4.769 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.016 -6.084 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.582 -4.562 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.170 -7.077 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.711 -6.641 -6.748 1.00 0.00 H new ATOM 158 N ILE A 11 -16.869 -4.359 -4.284 1.00 0.00 N ATOM 159 CA ILE A 11 -16.308 -3.331 -3.358 1.00 0.00 C ATOM 160 C ILE A 11 -14.866 -3.004 -3.751 1.00 0.00 C ATOM 161 O ILE A 11 -14.557 -1.889 -4.110 1.00 0.00 O ATOM 162 CB ILE A 11 -16.339 -3.848 -1.912 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.208 -5.377 -1.894 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.660 -3.446 -1.248 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.517 -5.818 -0.597 1.00 0.00 C ATOM 0 H ILE A 11 -17.098 -5.256 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.916 -2.429 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.504 -3.410 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.193 -5.838 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.633 -5.713 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.679 -3.814 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.750 -2.360 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.493 -3.877 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.424 -6.904 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.525 -5.369 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.110 -5.495 0.259 1.00 0.00 H new ATOM 177 N VAL A 12 -13.981 -3.962 -3.676 1.00 0.00 N ATOM 178 CA VAL A 12 -12.554 -3.701 -4.031 1.00 0.00 C ATOM 179 C VAL A 12 -12.469 -2.785 -5.250 1.00 0.00 C ATOM 180 O VAL A 12 -11.611 -1.932 -5.330 1.00 0.00 O ATOM 181 CB VAL A 12 -11.846 -5.024 -4.335 1.00 0.00 C ATOM 182 CG1 VAL A 12 -10.417 -4.745 -4.806 1.00 0.00 C ATOM 183 CG2 VAL A 12 -11.805 -5.882 -3.066 1.00 0.00 C ATOM 0 H VAL A 12 -14.185 -4.918 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.067 -3.213 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.389 -5.554 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.914 -5.688 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.444 -4.133 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.873 -4.215 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.301 -6.825 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.262 -5.350 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.822 -6.083 -2.729 1.00 0.00 H new ATOM 193 N LYS A 13 -13.335 -2.949 -6.205 1.00 0.00 N ATOM 194 CA LYS A 13 -13.268 -2.069 -7.402 1.00 0.00 C ATOM 195 C LYS A 13 -13.958 -0.730 -7.120 1.00 0.00 C ATOM 196 O LYS A 13 -13.394 0.324 -7.335 1.00 0.00 O ATOM 197 CB LYS A 13 -13.946 -2.758 -8.590 1.00 0.00 C ATOM 198 CG LYS A 13 -13.600 -2.010 -9.882 1.00 0.00 C ATOM 199 CD LYS A 13 -14.592 -2.394 -10.989 1.00 0.00 C ATOM 200 CE LYS A 13 -15.812 -1.471 -10.933 1.00 0.00 C ATOM 201 NZ LYS A 13 -16.874 -1.992 -11.840 1.00 0.00 N ATOM 0 H LYS A 13 -14.080 -3.646 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.221 -1.882 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.617 -3.795 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.026 -2.775 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.632 -0.934 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.584 -2.253 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.111 -2.318 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.903 -3.432 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.189 -1.411 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.530 -0.460 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.702 -1.364 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.512 -2.028 -12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.150 -2.948 -11.538 1.00 0.00 H new ATOM 215 N ASP A 14 -15.177 -0.760 -6.658 1.00 0.00 N ATOM 216 CA ASP A 14 -15.902 0.514 -6.385 1.00 0.00 C ATOM 217 C ASP A 14 -15.228 1.279 -5.241 1.00 0.00 C ATOM 218 O ASP A 14 -14.660 2.332 -5.439 1.00 0.00 O ATOM 219 CB ASP A 14 -17.351 0.202 -5.999 1.00 0.00 C ATOM 220 CG ASP A 14 -18.118 -0.278 -7.232 1.00 0.00 C ATOM 221 OD1 ASP A 14 -17.931 -1.421 -7.614 1.00 0.00 O ATOM 222 OD2 ASP A 14 -18.880 0.506 -7.773 1.00 0.00 O ATOM 0 H ASP A 14 -15.703 -1.611 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.880 1.130 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.375 -0.563 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.827 1.091 -5.585 1.00 0.00 H new ATOM 227 N HIS A 15 -15.304 0.759 -4.046 1.00 0.00 N ATOM 228 CA HIS A 15 -14.690 1.450 -2.873 1.00 0.00 C ATOM 229 C HIS A 15 -13.319 2.030 -3.247 1.00 0.00 C ATOM 230 O HIS A 15 -12.955 3.106 -2.818 1.00 0.00 O ATOM 231 CB HIS A 15 -14.563 0.453 -1.710 1.00 0.00 C ATOM 232 CG HIS A 15 -13.169 -0.119 -1.623 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.367 -0.766 -2.538 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -12.436 -0.076 -0.444 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.167 -1.118 -1.929 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -11.257 -0.681 -0.674 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.769 -0.123 -3.829 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.328 2.279 -2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.812 0.951 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -15.282 -0.356 -1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.755 0.364 0.489 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.335 -1.638 -2.380 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.523 -0.791 0.026 1.00 0.00 H new ATOM 245 N LEU A 16 -12.557 1.319 -4.029 1.00 0.00 N ATOM 246 CA LEU A 16 -11.205 1.815 -4.424 1.00 0.00 C ATOM 247 C LEU A 16 -11.244 3.326 -4.710 1.00 0.00 C ATOM 248 O LEU A 16 -10.321 4.047 -4.389 1.00 0.00 O ATOM 249 CB LEU A 16 -10.753 1.066 -5.691 1.00 0.00 C ATOM 250 CG LEU A 16 -9.334 0.494 -5.524 1.00 0.00 C ATOM 251 CD1 LEU A 16 -8.318 1.637 -5.431 1.00 0.00 C ATOM 252 CD2 LEU A 16 -9.252 -0.380 -4.264 1.00 0.00 C ATOM 0 H LEU A 16 -12.812 0.410 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.506 1.635 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.451 0.257 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.777 1.743 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.103 -0.123 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.316 1.224 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.359 2.235 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.555 2.266 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.242 -0.776 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.497 0.221 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.959 -1.205 -4.347 1.00 0.00 H new ATOM 264 N LEU A 17 -12.285 3.807 -5.335 1.00 0.00 N ATOM 265 CA LEU A 17 -12.345 5.264 -5.660 1.00 0.00 C ATOM 266 C LEU A 17 -12.416 6.109 -4.376 1.00 0.00 C ATOM 267 O LEU A 17 -11.485 6.820 -4.062 1.00 0.00 O ATOM 268 CB LEU A 17 -13.563 5.545 -6.559 1.00 0.00 C ATOM 269 CG LEU A 17 -13.132 5.582 -8.034 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.337 5.278 -8.927 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.587 6.973 -8.378 1.00 0.00 C ATOM 0 H LEU A 17 -13.092 3.259 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.436 5.542 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.319 4.774 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.019 6.495 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.355 4.835 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.031 5.304 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.727 4.289 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.113 6.024 -8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.282 6.996 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.363 7.720 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.728 7.194 -7.745 1.00 0.00 H new ATOM 283 N PRO A 18 -13.504 6.053 -3.645 1.00 0.00 N ATOM 284 CA PRO A 18 -13.669 6.855 -2.390 1.00 0.00 C ATOM 285 C PRO A 18 -12.636 6.498 -1.314 1.00 0.00 C ATOM 286 O PRO A 18 -12.064 7.363 -0.682 1.00 0.00 O ATOM 287 CB PRO A 18 -15.085 6.503 -1.909 1.00 0.00 C ATOM 288 CG PRO A 18 -15.410 5.206 -2.568 1.00 0.00 C ATOM 289 CD PRO A 18 -14.691 5.229 -3.914 1.00 0.00 C ATOM 0 HA PRO A 18 -13.522 7.918 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.121 6.413 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.800 7.277 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.076 4.365 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.486 5.095 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.419 4.226 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.314 5.663 -4.696 1.00 0.00 H new ATOM 297 N LYS A 19 -12.405 5.235 -1.090 1.00 0.00 N ATOM 298 CA LYS A 19 -11.423 4.831 -0.041 1.00 0.00 C ATOM 299 C LYS A 19 -10.110 5.598 -0.237 1.00 0.00 C ATOM 300 O LYS A 19 -9.790 6.501 0.510 1.00 0.00 O ATOM 301 CB LYS A 19 -11.168 3.317 -0.140 1.00 0.00 C ATOM 302 CG LYS A 19 -10.876 2.727 1.250 1.00 0.00 C ATOM 303 CD LYS A 19 -9.396 2.921 1.599 1.00 0.00 C ATOM 304 CE LYS A 19 -9.186 2.668 3.094 1.00 0.00 C ATOM 305 NZ LYS A 19 -7.749 2.870 3.434 1.00 0.00 N ATOM 0 H LYS A 19 -12.852 4.464 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.824 5.066 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.037 2.824 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.326 3.127 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.502 3.212 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.126 1.666 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.781 2.237 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.081 3.932 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.808 3.345 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.492 1.653 3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.642 2.934 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.192 2.068 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.409 3.750 2.996 1.00 0.00 H new ATOM 319 N GLN A 20 -9.342 5.238 -1.229 1.00 0.00 N ATOM 320 CA GLN A 20 -8.044 5.936 -1.464 1.00 0.00 C ATOM 321 C GLN A 20 -8.267 7.447 -1.559 1.00 0.00 C ATOM 322 O GLN A 20 -7.646 8.221 -0.859 1.00 0.00 O ATOM 323 CB GLN A 20 -7.423 5.436 -2.770 1.00 0.00 C ATOM 324 CG GLN A 20 -7.419 3.905 -2.788 1.00 0.00 C ATOM 325 CD GLN A 20 -6.556 3.382 -1.639 1.00 0.00 C ATOM 326 OE1 GLN A 20 -5.752 4.107 -1.088 1.00 0.00 O ATOM 327 NE2 GLN A 20 -6.688 2.142 -1.254 1.00 0.00 N ATOM 0 H GLN A 20 -9.557 4.490 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.374 5.724 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.987 5.818 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.405 5.813 -2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.437 3.527 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.032 3.543 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.363 1.533 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.116 1.781 -0.490 1.00 0.00 H new ATOM 336 N ILE A 21 -9.139 7.873 -2.427 1.00 0.00 N ATOM 337 CA ILE A 21 -9.396 9.334 -2.586 1.00 0.00 C ATOM 338 C ILE A 21 -9.547 10.007 -1.218 1.00 0.00 C ATOM 339 O ILE A 21 -9.132 11.125 -1.036 1.00 0.00 O ATOM 340 CB ILE A 21 -10.667 9.552 -3.418 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.362 9.307 -4.906 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.178 10.985 -3.229 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.315 10.311 -5.420 1.00 0.00 C ATOM 0 H ILE A 21 -9.689 7.270 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.546 9.782 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.433 8.852 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.996 8.290 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.278 9.398 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.080 11.131 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.405 11.154 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.412 11.690 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.114 10.120 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.695 11.326 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.393 10.200 -4.849 1.00 0.00 H new ATOM 355 N LYS A 22 -10.165 9.364 -0.267 1.00 0.00 N ATOM 356 CA LYS A 22 -10.350 10.022 1.064 1.00 0.00 C ATOM 357 C LYS A 22 -9.015 10.140 1.810 1.00 0.00 C ATOM 358 O LYS A 22 -8.384 11.186 1.817 1.00 0.00 O ATOM 359 CB LYS A 22 -11.332 9.202 1.902 1.00 0.00 C ATOM 360 CG LYS A 22 -11.759 10.009 3.129 1.00 0.00 C ATOM 361 CD LYS A 22 -12.496 9.095 4.113 1.00 0.00 C ATOM 362 CE LYS A 22 -13.331 9.941 5.076 1.00 0.00 C ATOM 363 NZ LYS A 22 -14.554 10.426 4.376 1.00 0.00 N ATOM 0 H LYS A 22 -10.547 8.422 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.743 11.026 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.205 8.940 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.867 8.267 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.885 10.449 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.406 10.833 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.140 8.403 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.779 8.492 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.608 9.351 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.745 10.787 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.265 10.715 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.311 11.239 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.941 9.663 3.785 1.00 0.00 H new ATOM 377 N GLU A 23 -8.581 9.082 2.446 1.00 0.00 N ATOM 378 CA GLU A 23 -7.294 9.135 3.198 1.00 0.00 C ATOM 379 C GLU A 23 -6.263 9.890 2.364 1.00 0.00 C ATOM 380 O GLU A 23 -5.480 10.671 2.871 1.00 0.00 O ATOM 381 CB GLU A 23 -6.800 7.711 3.464 1.00 0.00 C ATOM 382 CG GLU A 23 -5.632 7.751 4.449 1.00 0.00 C ATOM 383 CD GLU A 23 -6.155 8.085 5.849 1.00 0.00 C ATOM 384 OE1 GLU A 23 -6.696 7.196 6.485 1.00 0.00 O ATOM 385 OE2 GLU A 23 -6.004 9.223 6.259 1.00 0.00 O ATOM 0 H GLU A 23 -9.063 8.184 2.476 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.441 9.646 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.610 7.104 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.486 7.243 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.119 6.789 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.902 8.497 4.134 1.00 0.00 H new ATOM 392 N HIS A 24 -6.274 9.668 1.084 1.00 0.00 N ATOM 393 CA HIS A 24 -5.319 10.369 0.185 1.00 0.00 C ATOM 394 C HIS A 24 -5.867 11.766 -0.110 1.00 0.00 C ATOM 395 O HIS A 24 -5.133 12.726 -0.200 1.00 0.00 O ATOM 396 CB HIS A 24 -5.160 9.566 -1.108 1.00 0.00 C ATOM 397 CG HIS A 24 -4.904 8.121 -0.761 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.572 7.479 0.275 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.046 7.184 -1.285 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.108 6.218 0.340 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.180 5.989 -0.588 1.00 0.00 N ATOM 0 H HIS A 24 -6.911 9.024 0.615 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.341 10.459 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.059 9.653 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.334 9.963 -1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.371 7.351 -2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.446 5.483 1.055 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.674 5.119 -0.753 1.00 0.00 H new ATOM 410 N GLY A 25 -7.162 11.871 -0.255 1.00 0.00 N ATOM 411 CA GLY A 25 -7.804 13.191 -0.539 1.00 0.00 C ATOM 412 C GLY A 25 -7.118 14.290 0.264 1.00 0.00 C ATOM 413 O GLY A 25 -6.969 15.402 -0.204 1.00 0.00 O ATOM 0 H GLY A 25 -7.812 11.088 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.740 13.414 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.863 13.151 -0.285 1.00 0.00 H new ATOM 417 N LEU A 26 -6.714 13.998 1.473 1.00 0.00 N ATOM 418 CA LEU A 26 -6.048 15.050 2.305 1.00 0.00 C ATOM 419 C LEU A 26 -5.181 15.927 1.394 1.00 0.00 C ATOM 420 O LEU A 26 -5.144 17.134 1.533 1.00 0.00 O ATOM 421 CB LEU A 26 -5.167 14.379 3.374 1.00 0.00 C ATOM 422 CG LEU A 26 -5.810 14.528 4.756 1.00 0.00 C ATOM 423 CD1 LEU A 26 -7.061 13.654 4.835 1.00 0.00 C ATOM 424 CD2 LEU A 26 -4.812 14.085 5.831 1.00 0.00 C ATOM 0 H LEU A 26 -6.814 13.086 1.919 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.800 15.665 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.036 13.323 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.175 14.831 3.375 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.085 15.570 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.518 13.761 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.771 13.966 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.787 12.611 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.267 14.190 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.539 13.043 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.918 14.707 5.776 1.00 0.00 H new ATOM 436 N LYS A 27 -4.516 15.333 0.438 1.00 0.00 N ATOM 437 CA LYS A 27 -3.688 16.129 -0.509 1.00 0.00 C ATOM 438 C LYS A 27 -4.470 16.254 -1.818 1.00 0.00 C ATOM 439 O LYS A 27 -5.280 15.408 -2.141 1.00 0.00 O ATOM 440 CB LYS A 27 -2.359 15.410 -0.767 1.00 0.00 C ATOM 441 CG LYS A 27 -1.833 14.813 0.541 1.00 0.00 C ATOM 442 CD LYS A 27 -1.690 15.918 1.589 1.00 0.00 C ATOM 443 CE LYS A 27 -0.901 15.385 2.787 1.00 0.00 C ATOM 444 NZ LYS A 27 -0.785 16.452 3.820 1.00 0.00 N ATOM 0 H LYS A 27 -4.512 14.326 0.274 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.474 17.114 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.498 14.622 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.630 16.109 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.515 14.043 0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.870 14.332 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.180 16.779 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.674 16.259 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.401 14.512 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.090 15.063 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.249 16.090 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.290 17.273 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.735 16.739 4.131 1.00 0.00 H new ATOM 458 N LYS A 28 -4.250 17.298 -2.570 1.00 0.00 N ATOM 459 CA LYS A 28 -4.999 17.461 -3.853 1.00 0.00 C ATOM 460 C LYS A 28 -5.108 16.107 -4.562 1.00 0.00 C ATOM 461 O LYS A 28 -4.212 15.289 -4.487 1.00 0.00 O ATOM 462 CB LYS A 28 -4.257 18.449 -4.755 1.00 0.00 C ATOM 463 CG LYS A 28 -2.811 17.986 -4.946 1.00 0.00 C ATOM 464 CD LYS A 28 -1.973 19.141 -5.498 1.00 0.00 C ATOM 465 CE LYS A 28 -0.515 18.697 -5.629 1.00 0.00 C ATOM 466 NZ LYS A 28 -0.363 17.845 -6.841 1.00 0.00 N ATOM 0 H LYS A 28 -3.588 18.043 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.999 17.840 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.757 18.521 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.275 19.445 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.399 17.645 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.777 17.139 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.358 19.452 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.043 20.004 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.137 19.568 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.211 18.143 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.167 16.865 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.241 17.874 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.425 18.201 -7.419 1.00 0.00 H new ATOM 480 N SER A 29 -6.201 15.864 -5.245 1.00 0.00 N ATOM 481 CA SER A 29 -6.374 14.562 -5.960 1.00 0.00 C ATOM 482 C SER A 29 -5.022 14.101 -6.506 1.00 0.00 C ATOM 483 O SER A 29 -4.593 14.522 -7.562 1.00 0.00 O ATOM 484 CB SER A 29 -7.358 14.742 -7.117 1.00 0.00 C ATOM 485 OG SER A 29 -8.637 15.079 -6.596 1.00 0.00 O ATOM 0 H SER A 29 -6.982 16.514 -5.338 1.00 0.00 H new ATOM 0 HA SER A 29 -6.762 13.814 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.008 15.526 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.421 13.825 -7.702 1.00 0.00 H new ATOM 0 HG SER A 29 -9.270 15.197 -7.334 1.00 0.00 H new ATOM 491 N ASN A 30 -4.339 13.259 -5.776 1.00 0.00 N ATOM 492 CA ASN A 30 -2.997 12.790 -6.231 1.00 0.00 C ATOM 493 C ASN A 30 -3.008 11.282 -6.499 1.00 0.00 C ATOM 494 O ASN A 30 -2.062 10.585 -6.188 1.00 0.00 O ATOM 495 CB ASN A 30 -1.968 13.106 -5.141 1.00 0.00 C ATOM 496 CG ASN A 30 -0.558 13.054 -5.733 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.359 12.562 -5.104 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.342 13.544 -6.923 1.00 0.00 N ATOM 0 H ASN A 30 -4.652 12.876 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.739 13.301 -7.158 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.160 14.093 -4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.057 12.389 -4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.595 13.514 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.110 13.957 -7.452 1.00 0.00 H new ATOM 505 N LEU A 31 -4.055 10.767 -7.084 1.00 0.00 N ATOM 506 CA LEU A 31 -4.091 9.306 -7.376 1.00 0.00 C ATOM 507 C LEU A 31 -5.142 9.010 -8.450 1.00 0.00 C ATOM 508 O LEU A 31 -6.176 9.644 -8.513 1.00 0.00 O ATOM 509 CB LEU A 31 -4.419 8.530 -6.096 1.00 0.00 C ATOM 510 CG LEU A 31 -5.802 8.932 -5.570 1.00 0.00 C ATOM 511 CD1 LEU A 31 -6.200 7.986 -4.438 1.00 0.00 C ATOM 512 CD2 LEU A 31 -5.766 10.377 -5.046 1.00 0.00 C ATOM 0 H LEU A 31 -4.882 11.291 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.114 8.993 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.396 7.459 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.662 8.729 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.530 8.868 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.183 8.266 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.234 6.963 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.468 8.053 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.753 10.654 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.039 10.453 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.481 11.050 -5.854 1.00 0.00 H new ATOM 524 N GLN A 32 -4.884 8.046 -9.292 1.00 0.00 N ATOM 525 CA GLN A 32 -5.866 7.695 -10.358 1.00 0.00 C ATOM 526 C GLN A 32 -5.674 6.226 -10.749 1.00 0.00 C ATOM 527 O GLN A 32 -4.976 5.908 -11.690 1.00 0.00 O ATOM 528 CB GLN A 32 -5.638 8.596 -11.584 1.00 0.00 C ATOM 529 CG GLN A 32 -6.613 9.779 -11.551 1.00 0.00 C ATOM 530 CD GLN A 32 -6.483 10.583 -12.847 1.00 0.00 C ATOM 531 OE1 GLN A 32 -5.364 10.544 -13.516 1.00 0.00 O flip ATOM 532 NE2 GLN A 32 -7.411 11.253 -13.254 1.00 0.00 N flip ATOM 0 H GLN A 32 -4.032 7.485 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.881 7.845 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.611 8.960 -11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.780 8.022 -12.500 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.635 9.419 -11.435 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.400 10.416 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.286 11.283 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.315 11.785 -14.119 1.00 0.00 H new ATOM 541 N LEU A 33 -6.285 5.326 -10.026 1.00 0.00 N ATOM 542 CA LEU A 33 -6.134 3.878 -10.348 1.00 0.00 C ATOM 543 C LEU A 33 -7.235 3.445 -11.320 1.00 0.00 C ATOM 544 O LEU A 33 -8.409 3.608 -11.056 1.00 0.00 O ATOM 545 CB LEU A 33 -6.245 3.057 -9.060 1.00 0.00 C ATOM 546 CG LEU A 33 -4.938 3.159 -8.270 1.00 0.00 C ATOM 547 CD1 LEU A 33 -4.688 4.616 -7.874 1.00 0.00 C ATOM 548 CD2 LEU A 33 -5.039 2.297 -7.008 1.00 0.00 C ATOM 0 H LEU A 33 -6.883 5.532 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.160 3.712 -10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.076 3.421 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.457 2.015 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.112 2.807 -8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.757 4.686 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.616 5.230 -8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.512 4.972 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.109 2.368 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.866 2.650 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.214 1.259 -7.290 1.00 0.00 H new ATOM 560 N ARG A 34 -6.862 2.886 -12.439 1.00 0.00 N ATOM 561 CA ARG A 34 -7.887 2.434 -13.422 1.00 0.00 C ATOM 562 C ARG A 34 -8.463 1.091 -12.967 1.00 0.00 C ATOM 563 O ARG A 34 -8.181 0.622 -11.883 1.00 0.00 O ATOM 564 CB ARG A 34 -7.239 2.269 -14.800 1.00 0.00 C ATOM 565 CG ARG A 34 -6.461 3.538 -15.158 1.00 0.00 C ATOM 566 CD ARG A 34 -6.121 3.524 -16.649 1.00 0.00 C ATOM 567 NE ARG A 34 -5.053 4.526 -16.927 1.00 0.00 N ATOM 568 CZ ARG A 34 -4.342 4.436 -18.016 1.00 0.00 C ATOM 569 NH1 ARG A 34 -4.562 3.465 -18.861 1.00 0.00 N ATOM 570 NH2 ARG A 34 -3.410 5.316 -18.262 1.00 0.00 N ATOM 0 H ARG A 34 -5.894 2.723 -12.715 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.684 3.174 -13.484 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.570 1.409 -14.797 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.004 2.075 -15.552 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.054 4.421 -14.918 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.547 3.596 -14.566 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.788 2.530 -16.947 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.010 3.752 -17.237 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.878 5.282 -16.265 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.290 2.777 -18.669 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.006 3.395 -19.713 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.238 6.074 -17.602 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.854 5.245 -19.114 1.00 0.00 H new ATOM 584 N ASP A 35 -9.267 0.469 -13.785 1.00 0.00 N ATOM 585 CA ASP A 35 -9.855 -0.844 -13.393 1.00 0.00 C ATOM 586 C ASP A 35 -8.818 -1.951 -13.600 1.00 0.00 C ATOM 587 O ASP A 35 -8.675 -2.842 -12.785 1.00 0.00 O ATOM 588 CB ASP A 35 -11.085 -1.131 -14.259 1.00 0.00 C ATOM 589 CG ASP A 35 -12.242 -0.230 -13.825 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.132 0.379 -12.774 1.00 0.00 O ATOM 591 OD2 ASP A 35 -13.219 -0.163 -14.552 1.00 0.00 O ATOM 0 H ASP A 35 -9.542 0.812 -14.706 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.147 -0.811 -12.343 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.851 -0.958 -15.309 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.372 -2.178 -14.165 1.00 0.00 H new ATOM 596 N GLN A 36 -8.098 -1.905 -14.687 1.00 0.00 N ATOM 597 CA GLN A 36 -7.074 -2.956 -14.953 1.00 0.00 C ATOM 598 C GLN A 36 -5.998 -2.925 -13.863 1.00 0.00 C ATOM 599 O GLN A 36 -5.526 -3.952 -13.418 1.00 0.00 O ATOM 600 CB GLN A 36 -6.427 -2.703 -16.316 1.00 0.00 C ATOM 601 CG GLN A 36 -7.517 -2.616 -17.387 1.00 0.00 C ATOM 602 CD GLN A 36 -6.877 -2.343 -18.749 1.00 0.00 C ATOM 603 OE1 GLN A 36 -5.859 -1.686 -18.836 1.00 0.00 O ATOM 604 NE2 GLN A 36 -7.434 -2.825 -19.827 1.00 0.00 N ATOM 0 H GLN A 36 -8.174 -1.184 -15.404 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.556 -3.934 -14.952 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.851 -1.778 -16.292 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.730 -3.506 -16.555 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.084 -3.547 -17.420 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.222 -1.822 -17.139 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.289 -3.377 -19.756 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.014 -2.650 -20.740 1.00 0.00 H new ATOM 613 N ALA A 37 -5.603 -1.758 -13.432 1.00 0.00 N ATOM 614 CA ALA A 37 -4.555 -1.674 -12.376 1.00 0.00 C ATOM 615 C ALA A 37 -5.015 -2.438 -11.132 1.00 0.00 C ATOM 616 O ALA A 37 -4.299 -3.261 -10.597 1.00 0.00 O ATOM 617 CB ALA A 37 -4.312 -0.206 -12.014 1.00 0.00 C ATOM 0 H ALA A 37 -5.959 -0.862 -13.764 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.630 -2.115 -12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.545 -0.144 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.980 0.337 -12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.237 0.235 -11.643 1.00 0.00 H new ATOM 623 N ILE A 38 -6.204 -2.170 -10.665 1.00 0.00 N ATOM 624 CA ILE A 38 -6.704 -2.881 -9.454 1.00 0.00 C ATOM 625 C ILE A 38 -6.757 -4.386 -9.731 1.00 0.00 C ATOM 626 O ILE A 38 -6.140 -5.177 -9.046 1.00 0.00 O ATOM 627 CB ILE A 38 -8.111 -2.386 -9.110 1.00 0.00 C ATOM 628 CG1 ILE A 38 -8.110 -0.860 -8.992 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.552 -2.996 -7.779 1.00 0.00 C ATOM 630 CD1 ILE A 38 -9.553 -0.351 -8.924 1.00 0.00 C ATOM 0 H ILE A 38 -6.849 -1.491 -11.069 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.032 -2.683 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.800 -2.686 -9.899 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.563 -0.554 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.598 -0.419 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.554 -2.645 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.558 -4.083 -7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.858 -2.696 -6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.552 0.736 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.085 -0.644 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.050 -0.782 -8.055 1.00 0.00 H new ATOM 642 N LEU A 39 -7.500 -4.784 -10.727 1.00 0.00 N ATOM 643 CA LEU A 39 -7.609 -6.235 -11.052 1.00 0.00 C ATOM 644 C LEU A 39 -6.223 -6.881 -11.043 1.00 0.00 C ATOM 645 O LEU A 39 -5.982 -7.844 -10.347 1.00 0.00 O ATOM 646 CB LEU A 39 -8.240 -6.396 -12.437 1.00 0.00 C ATOM 647 CG LEU A 39 -9.665 -5.832 -12.420 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.171 -5.680 -13.855 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.592 -6.782 -11.648 1.00 0.00 C ATOM 0 H LEU A 39 -8.039 -4.164 -11.332 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.232 -6.725 -10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.641 -5.875 -13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.258 -7.449 -12.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.660 -4.858 -11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.184 -5.279 -13.843 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.518 -4.999 -14.401 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.172 -6.653 -14.346 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.604 -6.376 -11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.597 -7.759 -12.132 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.234 -6.887 -10.624 1.00 0.00 H new ATOM 661 N ASP A 40 -5.314 -6.364 -11.815 1.00 0.00 N ATOM 662 CA ASP A 40 -3.944 -6.951 -11.861 1.00 0.00 C ATOM 663 C ASP A 40 -3.388 -7.102 -10.442 1.00 0.00 C ATOM 664 O ASP A 40 -2.889 -8.145 -10.070 1.00 0.00 O ATOM 665 CB ASP A 40 -3.030 -6.034 -12.675 1.00 0.00 C ATOM 666 CG ASP A 40 -3.508 -6.003 -14.128 1.00 0.00 C ATOM 667 OD1 ASP A 40 -4.693 -6.195 -14.346 1.00 0.00 O ATOM 668 OD2 ASP A 40 -2.681 -5.789 -14.999 1.00 0.00 O ATOM 0 H ASP A 40 -5.458 -5.556 -12.420 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.990 -7.935 -12.328 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.039 -5.028 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.001 -6.391 -12.626 1.00 0.00 H new ATOM 673 N ILE A 41 -3.456 -6.072 -9.647 1.00 0.00 N ATOM 674 CA ILE A 41 -2.916 -6.170 -8.259 1.00 0.00 C ATOM 675 C ILE A 41 -3.495 -7.402 -7.552 1.00 0.00 C ATOM 676 O ILE A 41 -2.853 -8.428 -7.457 1.00 0.00 O ATOM 677 CB ILE A 41 -3.278 -4.901 -7.479 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.447 -3.731 -8.012 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.977 -5.103 -5.990 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.989 -2.416 -7.452 1.00 0.00 C ATOM 0 H ILE A 41 -3.860 -5.169 -9.895 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.832 -6.270 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.340 -4.688 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.402 -3.855 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.481 -3.715 -9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.236 -4.198 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.564 -5.939 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.916 -5.316 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.395 -1.586 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.027 -2.290 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.932 -2.433 -6.364 1.00 0.00 H new ATOM 692 N ILE A 42 -4.696 -7.310 -7.046 1.00 0.00 N ATOM 693 CA ILE A 42 -5.302 -8.478 -6.336 1.00 0.00 C ATOM 694 C ILE A 42 -5.070 -9.757 -7.146 1.00 0.00 C ATOM 695 O ILE A 42 -4.658 -10.772 -6.621 1.00 0.00 O ATOM 696 CB ILE A 42 -6.810 -8.257 -6.168 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.067 -7.041 -5.257 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.438 -9.507 -5.544 1.00 0.00 C ATOM 699 CD1 ILE A 42 -7.470 -5.833 -6.105 1.00 0.00 C ATOM 0 H ILE A 42 -5.284 -6.478 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.834 -8.577 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.257 -8.069 -7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.855 -7.272 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.170 -6.810 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.510 -9.354 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.265 -10.364 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.986 -9.694 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.650 -4.976 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.668 -5.596 -6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.379 -6.065 -6.660 1.00 0.00 H new ATOM 711 N ARG A 43 -5.343 -9.716 -8.419 1.00 0.00 N ATOM 712 CA ARG A 43 -5.151 -10.927 -9.270 1.00 0.00 C ATOM 713 C ARG A 43 -3.791 -11.566 -8.978 1.00 0.00 C ATOM 714 O ARG A 43 -3.661 -12.774 -8.941 1.00 0.00 O ATOM 715 CB ARG A 43 -5.221 -10.529 -10.748 1.00 0.00 C ATOM 716 CG ARG A 43 -6.679 -10.245 -11.140 1.00 0.00 C ATOM 717 CD ARG A 43 -7.351 -11.538 -11.611 1.00 0.00 C ATOM 718 NE ARG A 43 -8.833 -11.387 -11.538 1.00 0.00 N ATOM 719 CZ ARG A 43 -9.460 -11.611 -10.415 1.00 0.00 C ATOM 720 NH1 ARG A 43 -8.789 -11.946 -9.348 1.00 0.00 N ATOM 721 NH2 ARG A 43 -10.759 -11.495 -10.358 1.00 0.00 N ATOM 0 H ARG A 43 -5.692 -8.894 -8.911 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.938 -11.647 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.608 -9.646 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.816 -11.328 -11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.220 -9.832 -10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.713 -9.497 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.048 -11.765 -12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.029 -12.374 -10.990 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.358 -11.108 -12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.774 -12.033 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.280 -12.121 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.284 -11.229 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.249 -11.670 -9.481 1.00 0.00 H new ATOM 735 N TYR A 44 -2.774 -10.774 -8.775 1.00 0.00 N ATOM 736 CA TYR A 44 -1.431 -11.349 -8.492 1.00 0.00 C ATOM 737 C TYR A 44 -1.373 -11.781 -7.029 1.00 0.00 C ATOM 738 O TYR A 44 -0.801 -12.797 -6.688 1.00 0.00 O ATOM 739 CB TYR A 44 -0.356 -10.287 -8.756 1.00 0.00 C ATOM 740 CG TYR A 44 0.000 -10.267 -10.227 1.00 0.00 C ATOM 741 CD1 TYR A 44 -1.008 -10.177 -11.197 1.00 0.00 C ATOM 742 CD2 TYR A 44 1.341 -10.333 -10.621 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.673 -10.154 -12.555 1.00 0.00 C ATOM 744 CE2 TYR A 44 1.677 -10.310 -11.980 1.00 0.00 C ATOM 745 CZ TYR A 44 0.669 -10.221 -12.947 1.00 0.00 C ATOM 746 OH TYR A 44 1.000 -10.197 -14.286 1.00 0.00 O ATOM 0 H TYR A 44 -2.816 -9.755 -8.793 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.254 -12.210 -9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.718 -9.306 -8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.532 -10.501 -8.161 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.044 -10.125 -10.896 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.119 -10.402 -9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.450 -10.084 -13.301 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.713 -10.361 -12.282 1.00 0.00 H new ATOM 0 HH TYR A 44 1.974 -10.251 -14.383 1.00 0.00 H new ATOM 756 N TYR A 45 -1.954 -11.003 -6.160 1.00 0.00 N ATOM 757 CA TYR A 45 -1.933 -11.344 -4.713 1.00 0.00 C ATOM 758 C TYR A 45 -3.057 -12.327 -4.392 1.00 0.00 C ATOM 759 O TYR A 45 -2.820 -13.485 -4.116 1.00 0.00 O ATOM 760 CB TYR A 45 -2.126 -10.065 -3.900 1.00 0.00 C ATOM 761 CG TYR A 45 -0.868 -9.238 -3.980 1.00 0.00 C ATOM 762 CD1 TYR A 45 -0.462 -8.702 -5.207 1.00 0.00 C ATOM 763 CD2 TYR A 45 -0.103 -9.013 -2.832 1.00 0.00 C ATOM 764 CE1 TYR A 45 0.707 -7.942 -5.287 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.066 -8.253 -2.910 1.00 0.00 C ATOM 766 CZ TYR A 45 1.474 -7.717 -4.137 1.00 0.00 C ATOM 767 OH TYR A 45 2.630 -6.967 -4.213 1.00 0.00 O ATOM 0 H TYR A 45 -2.445 -10.140 -6.393 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.978 -11.805 -4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.974 -9.499 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.351 -10.309 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.054 -8.876 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.416 -9.427 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.019 -7.528 -6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.656 -8.079 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 45 3.040 -6.907 -3.325 1.00 0.00 H new ATOM 777 N THR A 46 -4.279 -11.875 -4.421 1.00 0.00 N ATOM 778 CA THR A 46 -5.415 -12.784 -4.112 1.00 0.00 C ATOM 779 C THR A 46 -5.110 -13.564 -2.829 1.00 0.00 C ATOM 780 O THR A 46 -5.787 -14.515 -2.492 1.00 0.00 O ATOM 781 CB THR A 46 -5.613 -13.761 -5.277 1.00 0.00 C ATOM 782 OG1 THR A 46 -5.246 -13.122 -6.491 1.00 0.00 O ATOM 783 CG2 THR A 46 -7.077 -14.189 -5.348 1.00 0.00 C ATOM 0 H THR A 46 -4.540 -10.915 -4.646 1.00 0.00 H new ATOM 0 HA THR A 46 -6.324 -12.200 -3.970 1.00 0.00 H new ATOM 0 HB THR A 46 -4.990 -14.642 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.479 -12.171 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.213 -14.883 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.359 -14.678 -4.415 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.705 -13.312 -5.502 1.00 0.00 H new ATOM 791 N ARG A 47 -4.090 -13.171 -2.112 1.00 0.00 N ATOM 792 CA ARG A 47 -3.739 -13.891 -0.855 1.00 0.00 C ATOM 793 C ARG A 47 -4.568 -13.329 0.303 1.00 0.00 C ATOM 794 O ARG A 47 -5.303 -12.375 0.148 1.00 0.00 O ATOM 795 CB ARG A 47 -2.245 -13.705 -0.558 1.00 0.00 C ATOM 796 CG ARG A 47 -1.831 -12.250 -0.824 1.00 0.00 C ATOM 797 CD ARG A 47 -0.738 -11.836 0.168 1.00 0.00 C ATOM 798 NE ARG A 47 -1.364 -11.436 1.459 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.695 -10.710 2.312 1.00 0.00 C ATOM 800 NH1 ARG A 47 0.524 -10.334 2.037 1.00 0.00 N ATOM 801 NH2 ARG A 47 -1.246 -10.360 3.442 1.00 0.00 N ATOM 0 H ARG A 47 -3.486 -12.383 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.954 -14.953 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.037 -13.966 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.656 -14.378 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.467 -12.146 -1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.694 -11.592 -0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.045 -12.662 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.158 -11.008 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.316 -11.730 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.955 -10.608 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.046 -9.766 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.199 -10.654 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.724 -9.792 4.110 1.00 0.00 H new ATOM 815 N GLU A 48 -4.454 -13.916 1.464 1.00 0.00 N ATOM 816 CA GLU A 48 -5.236 -13.421 2.635 1.00 0.00 C ATOM 817 C GLU A 48 -6.734 -13.521 2.327 1.00 0.00 C ATOM 818 O GLU A 48 -7.240 -12.871 1.434 1.00 0.00 O ATOM 819 CB GLU A 48 -4.862 -11.956 2.922 1.00 0.00 C ATOM 820 CG GLU A 48 -4.056 -11.871 4.221 1.00 0.00 C ATOM 821 CD GLU A 48 -2.777 -12.698 4.082 1.00 0.00 C ATOM 822 OE1 GLU A 48 -2.488 -13.126 2.977 1.00 0.00 O ATOM 823 OE2 GLU A 48 -2.107 -12.891 5.084 1.00 0.00 O ATOM 0 H GLU A 48 -3.853 -14.718 1.653 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.006 -14.029 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.279 -11.551 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.764 -11.350 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.808 -10.832 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.652 -12.240 5.056 1.00 0.00 H new ATOM 830 N ALA A 49 -7.448 -14.330 3.066 1.00 0.00 N ATOM 831 CA ALA A 49 -8.912 -14.470 2.820 1.00 0.00 C ATOM 832 C ALA A 49 -9.657 -13.354 3.555 1.00 0.00 C ATOM 833 O ALA A 49 -10.362 -13.592 4.515 1.00 0.00 O ATOM 834 CB ALA A 49 -9.389 -15.827 3.340 1.00 0.00 C ATOM 0 H ALA A 49 -7.080 -14.899 3.828 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.111 -14.401 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.459 -15.930 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.856 -16.623 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.192 -15.896 4.410 1.00 0.00 H new ATOM 840 N GLY A 50 -9.505 -12.137 3.111 1.00 0.00 N ATOM 841 CA GLY A 50 -10.201 -11.002 3.781 1.00 0.00 C ATOM 842 C GLY A 50 -9.911 -9.712 3.014 1.00 0.00 C ATOM 843 O GLY A 50 -8.820 -9.508 2.519 1.00 0.00 O ATOM 0 H GLY A 50 -8.927 -11.879 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.275 -11.186 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.862 -10.910 4.813 1.00 0.00 H new ATOM 847 N VAL A 51 -10.877 -8.842 2.905 1.00 0.00 N ATOM 848 CA VAL A 51 -10.652 -7.571 2.161 1.00 0.00 C ATOM 849 C VAL A 51 -9.756 -6.639 2.979 1.00 0.00 C ATOM 850 O VAL A 51 -8.902 -5.965 2.444 1.00 0.00 O ATOM 851 CB VAL A 51 -11.991 -6.885 1.899 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.906 -7.831 1.119 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.648 -6.523 3.233 1.00 0.00 C ATOM 0 H VAL A 51 -11.811 -8.956 3.298 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.166 -7.797 1.212 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.827 -5.978 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.862 -7.341 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.438 -8.088 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.071 -8.739 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.604 -6.033 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.812 -7.430 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.997 -5.848 3.788 1.00 0.00 H new ATOM 863 N ARG A 52 -9.948 -6.589 4.271 1.00 0.00 N ATOM 864 CA ARG A 52 -9.109 -5.690 5.119 1.00 0.00 C ATOM 865 C ARG A 52 -7.656 -5.726 4.634 1.00 0.00 C ATOM 866 O ARG A 52 -7.032 -4.700 4.437 1.00 0.00 O ATOM 867 CB ARG A 52 -9.174 -6.157 6.579 1.00 0.00 C ATOM 868 CG ARG A 52 -10.461 -5.635 7.234 1.00 0.00 C ATOM 869 CD ARG A 52 -10.227 -4.225 7.784 1.00 0.00 C ATOM 870 NE ARG A 52 -9.352 -4.299 8.987 1.00 0.00 N ATOM 871 CZ ARG A 52 -8.808 -3.214 9.465 1.00 0.00 C ATOM 872 NH1 ARG A 52 -9.027 -2.066 8.883 1.00 0.00 N ATOM 873 NH2 ARG A 52 -8.043 -3.275 10.521 1.00 0.00 N ATOM 0 H ARG A 52 -10.649 -7.131 4.776 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.487 -4.670 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.148 -7.246 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.304 -5.794 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.271 -5.621 6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.767 -6.303 8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.763 -3.598 7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.179 -3.761 8.042 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.178 -5.198 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.622 -2.019 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.603 -1.216 9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.870 -4.172 10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.619 -2.425 10.893 1.00 0.00 H new ATOM 887 N SER A 53 -7.115 -6.895 4.433 1.00 0.00 N ATOM 888 CA SER A 53 -5.707 -6.985 3.957 1.00 0.00 C ATOM 889 C SER A 53 -5.596 -6.347 2.574 1.00 0.00 C ATOM 890 O SER A 53 -4.792 -5.465 2.349 1.00 0.00 O ATOM 891 CB SER A 53 -5.284 -8.448 3.875 1.00 0.00 C ATOM 892 OG SER A 53 -5.602 -9.101 5.096 1.00 0.00 O ATOM 0 H SER A 53 -7.585 -7.789 4.577 1.00 0.00 H new ATOM 0 HA SER A 53 -5.056 -6.459 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.792 -8.939 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.214 -8.518 3.680 1.00 0.00 H new ATOM 0 HG SER A 53 -5.948 -9.998 4.907 1.00 0.00 H new ATOM 898 N LEU A 54 -6.402 -6.782 1.646 1.00 0.00 N ATOM 899 CA LEU A 54 -6.343 -6.194 0.279 1.00 0.00 C ATOM 900 C LEU A 54 -6.366 -4.672 0.401 1.00 0.00 C ATOM 901 O LEU A 54 -5.491 -3.986 -0.082 1.00 0.00 O ATOM 902 CB LEU A 54 -7.550 -6.660 -0.539 1.00 0.00 C ATOM 903 CG LEU A 54 -7.737 -8.170 -0.369 1.00 0.00 C ATOM 904 CD1 LEU A 54 -8.821 -8.660 -1.331 1.00 0.00 C ATOM 905 CD2 LEU A 54 -6.422 -8.889 -0.677 1.00 0.00 C ATOM 0 H LEU A 54 -7.097 -7.517 1.774 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.430 -6.516 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.447 -6.134 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.403 -6.418 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.035 -8.384 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.955 -9.735 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.759 -8.151 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.522 -8.444 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.558 -9.964 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.122 -8.675 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.648 -8.541 0.007 1.00 0.00 H new ATOM 917 N GLU A 55 -7.358 -4.144 1.059 1.00 0.00 N ATOM 918 CA GLU A 55 -7.436 -2.670 1.229 1.00 0.00 C ATOM 919 C GLU A 55 -6.096 -2.151 1.746 1.00 0.00 C ATOM 920 O GLU A 55 -5.634 -1.102 1.349 1.00 0.00 O ATOM 921 CB GLU A 55 -8.543 -2.330 2.230 1.00 0.00 C ATOM 922 CG GLU A 55 -8.618 -0.812 2.421 1.00 0.00 C ATOM 923 CD GLU A 55 -7.563 -0.367 3.436 1.00 0.00 C ATOM 924 OE1 GLU A 55 -7.563 -0.902 4.532 1.00 0.00 O ATOM 925 OE2 GLU A 55 -6.773 0.499 3.100 1.00 0.00 O ATOM 0 H GLU A 55 -8.119 -4.671 1.487 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.661 -2.201 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.500 -2.709 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.345 -2.817 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.456 -0.308 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.612 -0.528 2.767 1.00 0.00 H new ATOM 932 N ARG A 56 -5.464 -2.874 2.633 1.00 0.00 N ATOM 933 CA ARG A 56 -4.154 -2.403 3.165 1.00 0.00 C ATOM 934 C ARG A 56 -3.117 -2.399 2.039 1.00 0.00 C ATOM 935 O ARG A 56 -2.423 -1.424 1.829 1.00 0.00 O ATOM 936 CB ARG A 56 -3.692 -3.336 4.287 1.00 0.00 C ATOM 937 CG ARG A 56 -2.590 -2.651 5.099 1.00 0.00 C ATOM 938 CD ARG A 56 -1.941 -3.669 6.039 1.00 0.00 C ATOM 939 NE ARG A 56 -1.066 -2.960 7.014 1.00 0.00 N ATOM 940 CZ ARG A 56 -0.144 -3.619 7.660 1.00 0.00 C ATOM 941 NH1 ARG A 56 0.015 -4.897 7.448 1.00 0.00 N ATOM 942 NH2 ARG A 56 0.621 -3.000 8.519 1.00 0.00 N ATOM 0 H ARG A 56 -5.796 -3.762 3.009 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.264 -1.392 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.532 -3.588 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.321 -4.271 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.840 -2.228 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.007 -1.824 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.710 -4.233 6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.356 -4.388 5.465 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.188 -1.960 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.582 -5.381 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.736 -5.412 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.497 -2.001 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.342 -3.515 9.024 1.00 0.00 H new ATOM 956 N GLN A 57 -3.006 -3.475 1.309 1.00 0.00 N ATOM 957 CA GLN A 57 -2.014 -3.520 0.198 1.00 0.00 C ATOM 958 C GLN A 57 -2.344 -2.416 -0.813 1.00 0.00 C ATOM 959 O GLN A 57 -1.467 -1.757 -1.336 1.00 0.00 O ATOM 960 CB GLN A 57 -2.077 -4.893 -0.491 1.00 0.00 C ATOM 961 CG GLN A 57 -0.950 -5.788 0.034 1.00 0.00 C ATOM 962 CD GLN A 57 -1.092 -5.957 1.548 1.00 0.00 C ATOM 963 OE1 GLN A 57 -0.989 -4.999 2.290 1.00 0.00 O ATOM 964 NE2 GLN A 57 -1.326 -7.142 2.040 1.00 0.00 N ATOM 0 H GLN A 57 -3.558 -4.323 1.434 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.010 -3.365 0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.043 -5.361 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.986 -4.773 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.987 -6.761 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.018 -5.348 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.412 -7.945 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.423 -7.266 3.048 1.00 0.00 H new ATOM 973 N LEU A 58 -3.603 -2.207 -1.088 1.00 0.00 N ATOM 974 CA LEU A 58 -3.987 -1.144 -2.059 1.00 0.00 C ATOM 975 C LEU A 58 -3.626 0.218 -1.470 1.00 0.00 C ATOM 976 O LEU A 58 -2.960 1.017 -2.093 1.00 0.00 O ATOM 977 CB LEU A 58 -5.493 -1.217 -2.323 1.00 0.00 C ATOM 978 CG LEU A 58 -5.852 -2.624 -2.820 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.337 -2.912 -2.556 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.567 -2.727 -4.323 1.00 0.00 C ATOM 0 H LEU A 58 -4.382 -2.726 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.454 -1.286 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.045 -0.989 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.781 -0.472 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.247 -3.356 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.582 -3.913 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.535 -2.849 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.949 -2.179 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.823 -3.727 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.166 -1.990 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.509 -2.537 -4.507 1.00 0.00 H new ATOM 992 N ALA A 59 -4.039 0.482 -0.264 1.00 0.00 N ATOM 993 CA ALA A 59 -3.691 1.782 0.364 1.00 0.00 C ATOM 994 C ALA A 59 -2.181 1.984 0.237 1.00 0.00 C ATOM 995 O ALA A 59 -1.702 3.079 0.014 1.00 0.00 O ATOM 996 CB ALA A 59 -4.085 1.762 1.843 1.00 0.00 C ATOM 0 H ALA A 59 -4.601 -0.145 0.312 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.224 2.594 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.828 2.717 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.158 1.594 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.549 0.960 2.351 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.433 0.923 0.380 1.00 0.00 N ATOM 1003 CA ALA A 60 0.050 1.025 0.276 1.00 0.00 C ATOM 1004 C ALA A 60 0.450 1.504 -1.122 1.00 0.00 C ATOM 1005 O ALA A 60 1.102 2.516 -1.275 1.00 0.00 O ATOM 1006 CB ALA A 60 0.671 -0.350 0.538 1.00 0.00 C ATOM 0 H ALA A 60 -1.788 -0.015 0.565 1.00 0.00 H new ATOM 0 HA ALA A 60 0.410 1.742 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.756 -0.279 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.398 -0.688 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.302 -1.063 -0.200 1.00 0.00 H new ATOM 1012 N ILE A 61 0.078 0.783 -2.146 1.00 0.00 N ATOM 1013 CA ILE A 61 0.456 1.204 -3.528 1.00 0.00 C ATOM 1014 C ILE A 61 -0.110 2.601 -3.818 1.00 0.00 C ATOM 1015 O ILE A 61 0.549 3.442 -4.399 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.089 0.178 -4.542 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.853 0.095 -5.748 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.489 0.582 -5.023 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.236 -0.803 -6.827 1.00 0.00 C ATOM 0 H ILE A 61 -0.469 -0.076 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 61 1.542 1.245 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.151 -0.793 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.032 1.092 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.820 -0.303 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.855 -0.155 -5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.167 0.629 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.441 1.560 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.909 -0.859 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.079 -1.803 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.720 -0.386 -7.144 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.328 2.850 -3.423 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.946 4.181 -3.681 1.00 0.00 C ATOM 1033 C CYS A 62 -1.098 5.287 -3.048 1.00 0.00 C ATOM 1034 O CYS A 62 -0.411 6.022 -3.729 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.352 4.210 -3.079 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.401 3.017 -3.946 1.00 0.00 S ATOM 0 H CYS A 62 -1.925 2.185 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.000 4.348 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.310 3.969 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.775 5.211 -3.163 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.167 1.822 -3.490 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.144 5.417 -1.750 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.344 6.484 -1.083 1.00 0.00 C ATOM 1044 C ARG A 63 1.113 6.384 -1.531 1.00 0.00 C ATOM 1045 O ARG A 63 1.718 7.364 -1.912 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.421 6.307 0.432 1.00 0.00 C ATOM 1047 CG ARG A 63 -1.321 7.383 1.047 1.00 0.00 C ATOM 1048 CD ARG A 63 -1.656 7.002 2.491 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.475 6.338 3.112 1.00 0.00 N ATOM 1050 CZ ARG A 63 0.550 7.051 3.490 1.00 0.00 C ATOM 1051 NH1 ARG A 63 0.535 8.347 3.334 1.00 0.00 N ATOM 1052 NH2 ARG A 63 1.588 6.471 4.025 1.00 0.00 N ATOM 0 H ARG A 63 -1.699 4.833 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.743 7.461 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.811 5.317 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.578 6.368 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.819 8.350 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.237 7.483 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.929 7.891 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.517 6.333 2.513 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.468 5.326 3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.278 8.801 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.336 8.906 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.599 5.459 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.389 7.030 4.320 1.00 0.00 H new ATOM 1066 N LYS A 64 1.685 5.206 -1.495 1.00 0.00 N ATOM 1067 CA LYS A 64 3.102 5.062 -1.935 1.00 0.00 C ATOM 1068 C LYS A 64 3.271 5.875 -3.212 1.00 0.00 C ATOM 1069 O LYS A 64 4.254 6.559 -3.412 1.00 0.00 O ATOM 1070 CB LYS A 64 3.414 3.590 -2.210 1.00 0.00 C ATOM 1071 CG LYS A 64 4.812 3.468 -2.824 1.00 0.00 C ATOM 1072 CD LYS A 64 5.285 2.010 -2.754 1.00 0.00 C ATOM 1073 CE LYS A 64 5.993 1.758 -1.420 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.348 2.378 -1.454 1.00 0.00 N ATOM 0 H LYS A 64 1.235 4.346 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 64 3.782 5.417 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.361 3.017 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.670 3.170 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.795 3.805 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.511 4.113 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.434 1.337 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.962 1.798 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.409 2.178 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.076 0.687 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.958 1.918 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.762 2.257 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.271 3.392 -1.237 1.00 0.00 H new ATOM 1088 N ALA A 65 2.282 5.827 -4.058 1.00 0.00 N ATOM 1089 CA ALA A 65 2.329 6.617 -5.310 1.00 0.00 C ATOM 1090 C ALA A 65 2.160 8.094 -4.949 1.00 0.00 C ATOM 1091 O ALA A 65 2.766 8.962 -5.543 1.00 0.00 O ATOM 1092 CB ALA A 65 1.199 6.174 -6.243 1.00 0.00 C ATOM 0 H ALA A 65 1.438 5.269 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 65 3.280 6.463 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.237 6.757 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.316 5.116 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.239 6.332 -5.752 1.00 0.00 H new ATOM 1098 N ALA A 66 1.333 8.387 -3.975 1.00 0.00 N ATOM 1099 CA ALA A 66 1.128 9.810 -3.582 1.00 0.00 C ATOM 1100 C ALA A 66 2.449 10.403 -3.084 1.00 0.00 C ATOM 1101 O ALA A 66 2.941 11.378 -3.615 1.00 0.00 O ATOM 1102 CB ALA A 66 0.085 9.888 -2.464 1.00 0.00 C ATOM 0 H ALA A 66 0.796 7.705 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 66 0.780 10.374 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.064 10.929 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.858 9.470 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.433 9.321 -1.601 1.00 0.00 H new ATOM 1108 N LYS A 67 3.024 9.824 -2.064 1.00 0.00 N ATOM 1109 CA LYS A 67 4.310 10.356 -1.529 1.00 0.00 C ATOM 1110 C LYS A 67 5.319 10.491 -2.669 1.00 0.00 C ATOM 1111 O LYS A 67 6.074 11.439 -2.734 1.00 0.00 O ATOM 1112 CB LYS A 67 4.857 9.393 -0.465 1.00 0.00 C ATOM 1113 CG LYS A 67 5.931 10.093 0.389 1.00 0.00 C ATOM 1114 CD LYS A 67 7.333 9.805 -0.174 1.00 0.00 C ATOM 1115 CE LYS A 67 7.907 8.542 0.475 1.00 0.00 C ATOM 1116 NZ LYS A 67 6.905 7.441 0.399 1.00 0.00 N ATOM 0 H LYS A 67 2.658 9.005 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 67 4.142 11.334 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.044 9.046 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.282 8.512 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.751 11.168 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.868 9.746 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.281 9.677 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.991 10.653 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.826 8.246 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.166 8.741 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.321 6.567 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.066 7.696 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.629 7.291 -0.592 1.00 0.00 H new ATOM 1130 N ALA A 68 5.338 9.546 -3.566 1.00 0.00 N ATOM 1131 CA ALA A 68 6.301 9.618 -4.702 1.00 0.00 C ATOM 1132 C ALA A 68 6.139 10.957 -5.425 1.00 0.00 C ATOM 1133 O ALA A 68 6.881 11.275 -6.332 1.00 0.00 O ATOM 1134 CB ALA A 68 6.026 8.473 -5.679 1.00 0.00 C ATOM 0 H ALA A 68 4.730 8.727 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 68 7.319 9.532 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.730 8.526 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.143 7.519 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.008 8.557 -6.060 1.00 0.00 H new ATOM 1140 N ILE A 69 5.176 11.744 -5.030 1.00 0.00 N ATOM 1141 CA ILE A 69 4.973 13.061 -5.696 1.00 0.00 C ATOM 1142 C ILE A 69 6.238 13.907 -5.548 1.00 0.00 C ATOM 1143 O ILE A 69 6.330 15.000 -6.071 1.00 0.00 O ATOM 1144 CB ILE A 69 3.798 13.789 -5.043 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.585 15.144 -5.741 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.099 14.014 -3.558 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.088 15.416 -5.891 1.00 0.00 C ATOM 0 H ILE A 69 4.522 11.532 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 69 4.761 12.903 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 69 2.895 13.187 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.053 15.940 -5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.064 15.139 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.262 14.533 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.249 13.052 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.001 14.617 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.940 16.376 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.633 14.626 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.622 15.440 -4.906 1.00 0.00 H new ATOM 1239 N LYS A 75 0.539 15.818 -11.387 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.859 15.900 -10.870 1.00 0.00 C ATOM 1241 C LYS A 75 -1.605 14.603 -11.191 1.00 0.00 C ATOM 1242 O LYS A 75 -1.417 14.012 -12.236 1.00 0.00 O ATOM 1243 CB LYS A 75 -1.581 17.075 -11.536 1.00 0.00 C ATOM 1244 CG LYS A 75 -0.636 18.275 -11.633 1.00 0.00 C ATOM 1245 CD LYS A 75 -0.160 18.677 -10.229 1.00 0.00 C ATOM 1246 CE LYS A 75 0.079 20.188 -10.178 1.00 0.00 C ATOM 1247 NZ LYS A 75 -1.230 20.892 -10.063 1.00 0.00 N ATOM 0 HA LYS A 75 -0.835 16.047 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.922 16.788 -12.531 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.467 17.343 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.220 18.026 -12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.145 19.113 -12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.905 18.392 -9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.758 18.145 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.715 20.438 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.603 20.515 -11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.070 21.879 -9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.716 20.874 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.819 20.415 -9.351 1.00 0.00 H new ATOM 1261 N ARG A 76 -2.458 14.163 -10.307 1.00 0.00 N ATOM 1262 CA ARG A 76 -3.226 12.910 -10.565 1.00 0.00 C ATOM 1263 C ARG A 76 -2.277 11.814 -11.055 1.00 0.00 C ATOM 1264 O ARG A 76 -1.941 11.746 -12.221 1.00 0.00 O ATOM 1265 CB ARG A 76 -4.288 13.180 -11.632 1.00 0.00 C ATOM 1266 CG ARG A 76 -5.023 14.480 -11.301 1.00 0.00 C ATOM 1267 CD ARG A 76 -6.220 14.645 -12.239 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.733 14.831 -13.636 1.00 0.00 N ATOM 1269 CZ ARG A 76 -5.168 15.955 -13.985 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -5.033 16.916 -13.112 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -4.739 16.118 -15.207 1.00 0.00 N ATOM 0 H ARG A 76 -2.657 14.617 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.707 12.583 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.822 13.253 -12.614 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.994 12.351 -11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.360 14.466 -10.264 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.347 15.329 -11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.865 13.768 -12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.819 15.503 -11.934 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.841 14.081 -14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.369 16.789 -12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.592 17.794 -13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.845 15.367 -15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.298 16.996 -15.480 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.842 10.952 -10.177 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.917 9.864 -10.598 1.00 0.00 C ATOM 1287 C ILE A 77 -1.723 8.700 -11.181 1.00 0.00 C ATOM 1288 O ILE A 77 -2.363 7.956 -10.464 1.00 0.00 O ATOM 1289 CB ILE A 77 -0.119 9.375 -9.390 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.395 10.580 -8.600 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.068 8.538 -9.867 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.299 10.099 -7.466 1.00 0.00 C ATOM 0 H ILE A 77 -2.087 10.955 -9.187 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.233 10.246 -11.356 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.761 8.766 -8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.946 11.252 -9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.443 11.147 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.637 8.189 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.704 7.680 -10.433 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.710 9.147 -10.504 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.665 10.958 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.734 9.445 -6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.144 9.551 -7.882 1.00 0.00 H new ATOM 1304 N THR A 78 -1.695 8.537 -12.474 1.00 0.00 N ATOM 1305 CA THR A 78 -2.457 7.422 -13.102 1.00 0.00 C ATOM 1306 C THR A 78 -1.668 6.120 -12.949 1.00 0.00 C ATOM 1307 O THR A 78 -0.498 6.050 -13.271 1.00 0.00 O ATOM 1308 CB THR A 78 -2.670 7.720 -14.589 1.00 0.00 C ATOM 1309 OG1 THR A 78 -2.986 9.096 -14.752 1.00 0.00 O ATOM 1310 CG2 THR A 78 -3.818 6.864 -15.126 1.00 0.00 C ATOM 0 H THR A 78 -1.177 9.128 -13.124 1.00 0.00 H new ATOM 0 HA THR A 78 -3.425 7.321 -12.612 1.00 0.00 H new ATOM 0 HB THR A 78 -1.759 7.486 -15.141 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.810 9.302 -14.264 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.967 7.078 -16.184 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.575 5.809 -15.000 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.731 7.094 -14.577 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.299 5.088 -12.455 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.588 3.786 -12.276 1.00 0.00 C ATOM 1320 C VAL A 79 -2.018 2.810 -13.373 1.00 0.00 C ATOM 1321 O VAL A 79 -3.178 2.470 -13.495 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.943 3.199 -10.909 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.070 1.973 -10.635 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.698 4.252 -9.827 1.00 0.00 C ATOM 0 H VAL A 79 -3.277 5.089 -12.167 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.512 3.950 -12.338 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.992 2.904 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.324 1.556 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.243 1.223 -11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.020 2.265 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.950 3.837 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.648 4.546 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.321 5.125 -10.021 1.00 0.00 H new ATOM 1334 N THR A 80 -1.089 2.354 -14.172 1.00 0.00 N ATOM 1335 CA THR A 80 -1.438 1.397 -15.262 1.00 0.00 C ATOM 1336 C THR A 80 -1.104 -0.027 -14.811 1.00 0.00 C ATOM 1337 O THR A 80 -0.474 -0.234 -13.793 1.00 0.00 O ATOM 1338 CB THR A 80 -0.631 1.736 -16.517 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.754 1.745 -16.200 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.045 3.113 -17.039 1.00 0.00 C ATOM 0 H THR A 80 -0.102 2.604 -14.116 1.00 0.00 H new ATOM 0 HA THR A 80 -2.502 1.470 -15.485 1.00 0.00 H new ATOM 0 HB THR A 80 -0.824 0.987 -17.285 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.272 1.960 -17.003 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.469 3.352 -17.933 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.107 3.105 -17.284 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.855 3.865 -16.273 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.523 -1.011 -15.560 1.00 0.00 N ATOM 1349 CA GLU A 81 -1.229 -2.420 -15.172 1.00 0.00 C ATOM 1350 C GLU A 81 0.284 -2.616 -15.066 1.00 0.00 C ATOM 1351 O GLU A 81 0.756 -3.578 -14.492 1.00 0.00 O ATOM 1352 CB GLU A 81 -1.797 -3.378 -16.226 1.00 0.00 C ATOM 1353 CG GLU A 81 -1.594 -2.790 -17.629 1.00 0.00 C ATOM 1354 CD GLU A 81 -2.736 -1.826 -17.961 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -3.572 -1.608 -17.099 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -2.755 -1.321 -19.071 1.00 0.00 O ATOM 0 H GLU A 81 -2.056 -0.900 -16.423 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.692 -2.631 -14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.303 -4.347 -16.153 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.858 -3.547 -16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.639 -2.267 -17.679 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.557 -3.592 -18.367 1.00 0.00 H new ATOM 1363 N LYS A 82 1.050 -1.713 -15.613 1.00 0.00 N ATOM 1364 CA LYS A 82 2.532 -1.848 -15.543 1.00 0.00 C ATOM 1365 C LYS A 82 3.058 -1.031 -14.362 1.00 0.00 C ATOM 1366 O LYS A 82 3.841 -1.507 -13.564 1.00 0.00 O ATOM 1367 CB LYS A 82 3.150 -1.323 -16.842 1.00 0.00 C ATOM 1368 CG LYS A 82 2.956 -2.353 -17.966 1.00 0.00 C ATOM 1369 CD LYS A 82 4.155 -3.311 -18.016 1.00 0.00 C ATOM 1370 CE LYS A 82 5.238 -2.739 -18.936 1.00 0.00 C ATOM 1371 NZ LYS A 82 5.339 -1.266 -18.736 1.00 0.00 N ATOM 0 H LYS A 82 0.713 -0.886 -16.106 1.00 0.00 H new ATOM 0 HA LYS A 82 2.800 -2.896 -15.410 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.686 -0.377 -17.120 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.212 -1.126 -16.696 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.038 -2.916 -17.800 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.848 -1.843 -18.923 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.557 -3.458 -17.013 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.836 -4.288 -18.378 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.197 -3.211 -18.723 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.999 -2.959 -19.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.141 -0.895 -19.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.460 -0.811 -19.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.486 -1.062 -17.727 1.00 0.00 H new ATOM 1385 N ASN A 83 2.631 0.194 -14.246 1.00 0.00 N ATOM 1386 CA ASN A 83 3.099 1.048 -13.121 1.00 0.00 C ATOM 1387 C ASN A 83 2.907 0.308 -11.794 1.00 0.00 C ATOM 1388 O ASN A 83 3.735 0.382 -10.906 1.00 0.00 O ATOM 1389 CB ASN A 83 2.297 2.354 -13.104 1.00 0.00 C ATOM 1390 CG ASN A 83 3.091 3.437 -12.370 1.00 0.00 C ATOM 1391 OD1 ASN A 83 3.922 3.137 -11.536 1.00 0.00 O ATOM 1392 ND2 ASN A 83 2.868 4.692 -12.648 1.00 0.00 N ATOM 0 H ASN A 83 1.975 0.643 -14.885 1.00 0.00 H new ATOM 0 HA ASN A 83 4.157 1.273 -13.254 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.083 2.674 -14.124 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.337 2.196 -12.612 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.391 5.422 -12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.170 4.943 -13.348 1.00 0.00 H new ATOM 1399 N LEU A 84 1.819 -0.403 -11.646 1.00 0.00 N ATOM 1400 CA LEU A 84 1.581 -1.141 -10.372 1.00 0.00 C ATOM 1401 C LEU A 84 2.873 -1.845 -9.950 1.00 0.00 C ATOM 1402 O LEU A 84 3.217 -1.889 -8.785 1.00 0.00 O ATOM 1403 CB LEU A 84 0.434 -2.154 -10.563 1.00 0.00 C ATOM 1404 CG LEU A 84 0.972 -3.515 -11.039 1.00 0.00 C ATOM 1405 CD1 LEU A 84 1.506 -4.329 -9.844 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -0.161 -4.292 -11.716 1.00 0.00 C ATOM 0 H LEU A 84 1.088 -0.504 -12.350 1.00 0.00 H new ATOM 0 HA LEU A 84 1.290 -0.445 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.104 -2.280 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.280 -1.767 -11.290 1.00 0.00 H new ATOM 0 HG LEU A 84 1.787 -3.349 -11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.883 -5.289 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.313 -3.778 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.701 -4.496 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.213 -5.258 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.972 -4.447 -11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.531 -3.725 -12.570 1.00 0.00 H new ATOM 1418 N GLN A 85 3.599 -2.384 -10.891 1.00 0.00 N ATOM 1419 CA GLN A 85 4.874 -3.072 -10.548 1.00 0.00 C ATOM 1420 C GLN A 85 5.864 -2.042 -10.000 1.00 0.00 C ATOM 1421 O GLN A 85 6.475 -2.242 -8.969 1.00 0.00 O ATOM 1422 CB GLN A 85 5.456 -3.726 -11.804 1.00 0.00 C ATOM 1423 CG GLN A 85 4.698 -5.020 -12.106 1.00 0.00 C ATOM 1424 CD GLN A 85 5.016 -5.479 -13.530 1.00 0.00 C ATOM 1425 OE1 GLN A 85 5.411 -4.687 -14.363 1.00 0.00 O ATOM 1426 NE2 GLN A 85 4.855 -6.734 -13.846 1.00 0.00 N ATOM 0 H GLN A 85 3.363 -2.377 -11.883 1.00 0.00 H new ATOM 0 HA GLN A 85 4.689 -3.840 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.381 -3.043 -12.650 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.515 -3.938 -11.658 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.980 -5.794 -11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.626 -4.860 -11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.523 -7.398 -13.146 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.061 -7.052 -14.793 1.00 0.00 H new ATOM 1435 N ASP A 86 6.023 -0.939 -10.678 1.00 0.00 N ATOM 1436 CA ASP A 86 6.969 0.104 -10.189 1.00 0.00 C ATOM 1437 C ASP A 86 6.681 0.388 -8.715 1.00 0.00 C ATOM 1438 O ASP A 86 7.581 0.544 -7.914 1.00 0.00 O ATOM 1439 CB ASP A 86 6.782 1.388 -10.999 1.00 0.00 C ATOM 1440 CG ASP A 86 7.373 1.202 -12.398 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.558 1.444 -12.557 1.00 0.00 O ATOM 1442 OD2 ASP A 86 6.629 0.822 -13.288 1.00 0.00 O ATOM 0 H ASP A 86 5.540 -0.715 -11.548 1.00 0.00 H new ATOM 0 HA ASP A 86 7.994 -0.249 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.723 1.634 -11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.270 2.222 -10.495 1.00 0.00 H new ATOM 1447 N PHE A 87 5.430 0.452 -8.351 1.00 0.00 N ATOM 1448 CA PHE A 87 5.084 0.722 -6.929 1.00 0.00 C ATOM 1449 C PHE A 87 5.223 -0.572 -6.125 1.00 0.00 C ATOM 1450 O PHE A 87 6.192 -0.779 -5.423 1.00 0.00 O ATOM 1451 CB PHE A 87 3.638 1.219 -6.834 1.00 0.00 C ATOM 1452 CG PHE A 87 3.489 2.525 -7.580 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.227 3.648 -7.184 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.605 2.617 -8.663 1.00 0.00 C ATOM 1455 CE1 PHE A 87 4.082 4.859 -7.872 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.460 3.829 -9.350 1.00 0.00 C ATOM 1457 CZ PHE A 87 3.199 4.949 -8.954 1.00 0.00 C ATOM 0 H PHE A 87 4.634 0.329 -8.977 1.00 0.00 H new ATOM 0 HA PHE A 87 5.756 1.483 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.961 0.474 -7.251 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.359 1.354 -5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.908 3.580 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.035 1.752 -8.969 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.652 5.724 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.778 3.899 -10.185 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.088 5.884 -9.484 1.00 0.00 H new ATOM 1467 N ILE A 88 4.258 -1.442 -6.226 1.00 0.00 N ATOM 1468 CA ILE A 88 4.323 -2.725 -5.474 1.00 0.00 C ATOM 1469 C ILE A 88 5.686 -3.386 -5.712 1.00 0.00 C ATOM 1470 O ILE A 88 6.387 -3.733 -4.782 1.00 0.00 O ATOM 1471 CB ILE A 88 3.186 -3.641 -5.954 1.00 0.00 C ATOM 1472 CG1 ILE A 88 2.016 -3.564 -4.969 1.00 0.00 C ATOM 1473 CG2 ILE A 88 3.662 -5.095 -6.056 1.00 0.00 C ATOM 1474 CD1 ILE A 88 0.775 -4.200 -5.597 1.00 0.00 C ATOM 0 H ILE A 88 3.424 -1.319 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 88 4.207 -2.544 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 88 2.868 -3.306 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.272 -4.079 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.813 -2.525 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.840 -5.724 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.487 -5.159 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.998 -5.437 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.057 -4.145 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.515 -3.666 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.981 -5.244 -5.834 1.00 0.00 H new ATOM 1486 N GLY A 89 6.064 -3.566 -6.948 1.00 0.00 N ATOM 1487 CA GLY A 89 7.377 -4.209 -7.237 1.00 0.00 C ATOM 1488 C GLY A 89 7.359 -5.650 -6.725 1.00 0.00 C ATOM 1489 O GLY A 89 6.879 -5.927 -5.644 1.00 0.00 O ATOM 0 H GLY A 89 5.522 -3.296 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.574 -4.194 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.181 -3.651 -6.758 1.00 0.00 H new ATOM 1493 N LYS A 90 7.877 -6.570 -7.493 1.00 0.00 N ATOM 1494 CA LYS A 90 7.886 -7.993 -7.050 1.00 0.00 C ATOM 1495 C LYS A 90 6.462 -8.553 -7.120 1.00 0.00 C ATOM 1496 O LYS A 90 5.567 -7.928 -7.654 1.00 0.00 O ATOM 1497 CB LYS A 90 8.408 -8.075 -5.606 1.00 0.00 C ATOM 1498 CG LYS A 90 9.178 -9.387 -5.402 1.00 0.00 C ATOM 1499 CD LYS A 90 9.229 -9.734 -3.910 1.00 0.00 C ATOM 1500 CE LYS A 90 10.084 -8.703 -3.169 1.00 0.00 C ATOM 1501 NZ LYS A 90 11.409 -8.581 -3.839 1.00 0.00 N ATOM 0 H LYS A 90 8.294 -6.397 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 90 8.537 -8.578 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.058 -7.225 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.575 -8.019 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.695 -10.192 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.189 -9.291 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.221 -9.750 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.645 -10.732 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.580 -7.737 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.217 -9.004 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.107 -8.211 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.715 -9.516 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.331 -7.931 -4.647 1.00 0.00 H new ATOM 1515 N ARG A 91 6.244 -9.722 -6.583 1.00 0.00 N ATOM 1516 CA ARG A 91 4.878 -10.317 -6.620 1.00 0.00 C ATOM 1517 C ARG A 91 4.849 -11.583 -5.761 1.00 0.00 C ATOM 1518 O ARG A 91 5.654 -11.757 -4.868 1.00 0.00 O ATOM 1519 CB ARG A 91 4.514 -10.673 -8.062 1.00 0.00 C ATOM 1520 CG ARG A 91 5.465 -11.754 -8.580 1.00 0.00 C ATOM 1521 CD ARG A 91 5.303 -11.896 -10.094 1.00 0.00 C ATOM 1522 NE ARG A 91 5.890 -10.704 -10.772 1.00 0.00 N ATOM 1523 CZ ARG A 91 7.178 -10.641 -10.980 1.00 0.00 C ATOM 1524 NH1 ARG A 91 7.951 -11.616 -10.587 1.00 0.00 N ATOM 1525 NH2 ARG A 91 7.691 -9.603 -11.582 1.00 0.00 N ATOM 0 H ARG A 91 6.953 -10.291 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 91 4.159 -9.596 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.484 -11.027 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.577 -9.786 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.495 -11.493 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.253 -12.704 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.797 -12.804 -10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.248 -11.990 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 91 5.286 -9.939 -11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.549 -12.428 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.957 -11.567 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.086 -8.841 -11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.697 -9.553 -11.745 1.00 0.00 H new ATOM 1539 N ILE A 92 3.926 -12.468 -6.029 1.00 0.00 N ATOM 1540 CA ILE A 92 3.836 -13.732 -5.236 1.00 0.00 C ATOM 1541 C ILE A 92 3.743 -14.920 -6.194 1.00 0.00 C ATOM 1542 O ILE A 92 4.692 -15.656 -6.377 1.00 0.00 O ATOM 1543 CB ILE A 92 2.591 -13.688 -4.349 1.00 0.00 C ATOM 1544 CG1 ILE A 92 2.561 -12.362 -3.583 1.00 0.00 C ATOM 1545 CG2 ILE A 92 2.630 -14.851 -3.355 1.00 0.00 C ATOM 1546 CD1 ILE A 92 1.429 -12.388 -2.553 1.00 0.00 C ATOM 0 H ILE A 92 3.227 -12.371 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 92 4.721 -13.838 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 92 1.698 -13.772 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.516 -12.197 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.416 -11.533 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.743 -14.819 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.654 -15.795 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.521 -14.768 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.410 -11.443 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.476 -12.533 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.593 -13.207 -1.852 1.00 0.00 H new ATOM 1558 N PHE A 93 2.610 -15.112 -6.814 1.00 0.00 N ATOM 1559 CA PHE A 93 2.470 -16.253 -7.763 1.00 0.00 C ATOM 1560 C PHE A 93 3.296 -15.969 -9.019 1.00 0.00 C ATOM 1561 O PHE A 93 3.182 -14.922 -9.625 1.00 0.00 O ATOM 1562 CB PHE A 93 0.997 -16.429 -8.149 1.00 0.00 C ATOM 1563 CG PHE A 93 0.113 -16.224 -6.938 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.488 -16.747 -5.692 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -1.087 -15.515 -7.063 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.338 -16.560 -4.577 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -1.911 -15.328 -5.948 1.00 0.00 C ATOM 1568 CZ PHE A 93 -1.537 -15.851 -4.704 1.00 0.00 C ATOM 0 H PHE A 93 1.779 -14.531 -6.705 1.00 0.00 H new ATOM 0 HA PHE A 93 2.827 -17.166 -7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.730 -15.716 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.838 -17.426 -8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.414 -17.294 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.377 -15.112 -8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.049 -16.964 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.836 -14.780 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.174 -15.707 -3.844 1.00 0.00 H new ATOM 1578 N ARG A 94 4.129 -16.892 -9.415 1.00 0.00 N ATOM 1579 CA ARG A 94 4.964 -16.675 -10.631 1.00 0.00 C ATOM 1580 C ARG A 94 4.159 -17.047 -11.877 1.00 0.00 C ATOM 1581 O ARG A 94 4.260 -18.143 -12.389 1.00 0.00 O ATOM 1582 CB ARG A 94 6.216 -17.552 -10.551 1.00 0.00 C ATOM 1583 CG ARG A 94 6.798 -17.483 -9.137 1.00 0.00 C ATOM 1584 CD ARG A 94 8.194 -18.114 -9.122 1.00 0.00 C ATOM 1585 NE ARG A 94 9.193 -17.118 -9.601 1.00 0.00 N ATOM 1586 CZ ARG A 94 9.578 -16.151 -8.813 1.00 0.00 C ATOM 1587 NH1 ARG A 94 9.088 -16.057 -7.607 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.455 -15.279 -9.232 1.00 0.00 N ATOM 0 H ARG A 94 4.268 -17.788 -8.948 1.00 0.00 H new ATOM 0 HA ARG A 94 5.257 -15.627 -10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.968 -18.583 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.956 -17.215 -11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.854 -16.446 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.145 -18.006 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.446 -18.442 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.212 -18.999 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 94 9.576 -17.192 -10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.404 -16.739 -7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.389 -15.301 -6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.839 -15.354 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.756 -14.523 -8.617 1.00 0.00 H new ATOM 1602 N TYR A 95 3.359 -16.140 -12.369 1.00 0.00 N ATOM 1603 CA TYR A 95 2.547 -16.441 -13.582 1.00 0.00 C ATOM 1604 C TYR A 95 1.578 -17.586 -13.277 1.00 0.00 C ATOM 1605 O TYR A 95 0.388 -17.383 -13.134 1.00 0.00 O ATOM 1606 CB TYR A 95 3.475 -16.840 -14.734 1.00 0.00 C ATOM 1607 CG TYR A 95 4.744 -16.022 -14.668 1.00 0.00 C ATOM 1608 CD1 TYR A 95 4.676 -14.632 -14.513 1.00 0.00 C ATOM 1609 CD2 TYR A 95 5.991 -16.654 -14.762 1.00 0.00 C ATOM 1610 CE1 TYR A 95 5.852 -13.875 -14.453 1.00 0.00 C ATOM 1611 CE2 TYR A 95 7.167 -15.896 -14.702 1.00 0.00 C ATOM 1612 CZ TYR A 95 7.097 -14.507 -14.547 1.00 0.00 C ATOM 1613 OH TYR A 95 8.257 -13.761 -14.488 1.00 0.00 O ATOM 0 H TYR A 95 3.233 -15.204 -11.983 1.00 0.00 H new ATOM 0 HA TYR A 95 1.979 -15.556 -13.869 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.711 -17.902 -14.673 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.976 -16.679 -15.689 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.716 -14.144 -14.440 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.045 -17.726 -14.881 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.798 -12.803 -14.334 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.128 -16.383 -14.775 1.00 0.00 H new ATOM 0 HH TYR A 95 9.032 -14.355 -14.567 1.00 0.00 H new