USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 593 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 69 TYR OH : rot 180:sc= -0.539 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -8.09! C(o=-8.6!,f=-8.9!) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 17 HIS : no HD1:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 26 MET CE :methyl -133:sc= -0.591 (180deg=-1.75) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.0685 (180deg=-0.383) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -1.75! (180deg=-3.18!) USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.0682 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.0933 (180deg=-0.0933) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.867 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -32:sc= 0.774 USER MOD Single : A 74 SER OG : rot -58:sc= 0.167 USER MOD Single : A 78 SER OG : rot 6:sc= 0.115 USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -0.0307 (180deg=-0.328) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -111:sc= -0.112 (180deg=-1.1) USER MOD Single : A 88 MET CE :methyl -124:sc= 0 (180deg=-0.0416) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -1.087 5.967 -4.711 1.00 0.00 N ATOM 98 CA VAL A 10 -1.630 5.225 -3.580 1.00 0.00 C ATOM 99 C VAL A 10 -2.146 3.858 -4.017 1.00 0.00 C ATOM 100 O VAL A 10 -2.719 3.714 -5.097 1.00 0.00 O ATOM 101 CB VAL A 10 -2.775 5.999 -2.899 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.672 6.651 -3.940 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.577 5.076 -1.994 1.00 0.00 C ATOM 0 HA VAL A 10 -0.816 5.093 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.342 6.787 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.475 7.193 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.086 7.345 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.099 5.883 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.382 5.639 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.001 4.265 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.924 4.662 -1.226 1.00 0.00 H new ATOM 113 N LEU A 11 -1.938 2.856 -3.169 1.00 0.00 N ATOM 114 CA LEU A 11 -2.382 1.499 -3.466 1.00 0.00 C ATOM 115 C LEU A 11 -3.567 1.109 -2.588 1.00 0.00 C ATOM 116 O LEU A 11 -3.442 1.012 -1.368 1.00 0.00 O ATOM 117 CB LEU A 11 -1.234 0.509 -3.262 1.00 0.00 C ATOM 118 CG LEU A 11 -1.630 -0.963 -3.142 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.955 -1.541 -4.511 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.520 -1.761 -2.474 1.00 0.00 C ATOM 0 H LEU A 11 -1.465 2.958 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.700 1.467 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.540 0.611 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.692 0.793 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.523 -1.030 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.235 -2.589 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.783 -0.987 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.080 -1.462 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.819 -2.806 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.390 -1.687 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.335 -1.362 -1.477 1.00 0.00 H new ATOM 132 N ASP A 12 -4.715 0.886 -3.218 1.00 0.00 N ATOM 133 CA ASP A 12 -5.922 0.503 -2.495 1.00 0.00 C ATOM 134 C ASP A 12 -6.052 -1.015 -2.420 1.00 0.00 C ATOM 135 O ASP A 12 -6.403 -1.669 -3.403 1.00 0.00 O ATOM 136 CB ASP A 12 -7.158 1.100 -3.170 1.00 0.00 C ATOM 137 CG ASP A 12 -8.440 0.414 -2.742 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.648 -0.754 -3.134 1.00 0.00 O ATOM 139 OD2 ASP A 12 -9.235 1.044 -2.015 1.00 0.00 O ATOM 0 H ASP A 12 -4.835 0.964 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.847 0.894 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.221 2.162 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.051 1.021 -4.252 1.00 0.00 H new ATOM 144 N LEU A 13 -5.766 -1.571 -1.247 1.00 0.00 N ATOM 145 CA LEU A 13 -5.850 -3.013 -1.043 1.00 0.00 C ATOM 146 C LEU A 13 -7.199 -3.401 -0.447 1.00 0.00 C ATOM 147 O LEU A 13 -7.375 -4.516 0.044 1.00 0.00 O ATOM 148 CB LEU A 13 -4.720 -3.484 -0.126 1.00 0.00 C ATOM 149 CG LEU A 13 -3.302 -3.115 -0.564 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.312 -3.375 0.560 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.910 -3.892 -1.813 1.00 0.00 C ATOM 0 H LEU A 13 -5.474 -1.045 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.749 -3.499 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.890 -3.072 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.780 -4.569 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.281 -2.051 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.308 -3.107 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.581 -2.774 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.335 -4.431 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.898 -3.617 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.948 -4.961 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.602 -3.655 -2.621 1.00 0.00 H new ATOM 163 N HIS A 14 -8.150 -2.473 -0.495 1.00 0.00 N ATOM 164 CA HIS A 14 -9.486 -2.719 0.038 1.00 0.00 C ATOM 165 C HIS A 14 -10.253 -3.696 -0.848 1.00 0.00 C ATOM 166 O HIS A 14 -10.324 -3.521 -2.064 1.00 0.00 O ATOM 167 CB HIS A 14 -10.260 -1.406 0.159 1.00 0.00 C ATOM 168 CG HIS A 14 -11.553 -1.539 0.902 1.00 0.00 C ATOM 169 ND1 HIS A 14 -12.594 -2.386 0.723 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 -11.893 -0.739 1.972 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 -13.533 -2.085 1.678 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 -13.085 -1.088 2.420 1.00 0.00 N flip ATOM 0 H HIS A 14 -8.021 -1.545 -0.897 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.379 -3.161 1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.634 -0.670 0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.463 -1.020 -0.840 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.280 0.051 2.380 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.484 -2.582 1.803 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.576 -0.661 3.205 1.00 0.00 H new ATOM 180 N GLY A 15 -10.825 -4.725 -0.230 1.00 0.00 N ATOM 181 CA GLY A 15 -11.578 -5.714 -0.978 1.00 0.00 C ATOM 182 C GLY A 15 -10.754 -6.943 -1.308 1.00 0.00 C ATOM 183 O GLY A 15 -11.267 -8.063 -1.305 1.00 0.00 O ATOM 0 H GLY A 15 -10.780 -4.891 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.454 -6.012 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.942 -5.266 -1.902 1.00 0.00 H new ATOM 187 N LEU A 16 -9.473 -6.735 -1.593 1.00 0.00 N ATOM 188 CA LEU A 16 -8.576 -7.836 -1.928 1.00 0.00 C ATOM 189 C LEU A 16 -8.376 -8.759 -0.731 1.00 0.00 C ATOM 190 O LEU A 16 -8.833 -8.467 0.375 1.00 0.00 O ATOM 191 CB LEU A 16 -7.226 -7.293 -2.400 1.00 0.00 C ATOM 192 CG LEU A 16 -7.163 -6.820 -3.853 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.968 -5.904 -4.065 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.099 -8.011 -4.799 1.00 0.00 C ATOM 0 H LEU A 16 -9.032 -5.815 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.031 -8.411 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.947 -6.460 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.475 -8.070 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.070 -6.256 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.940 -5.578 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.056 -5.034 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.050 -6.443 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.055 -7.656 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.210 -8.602 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.987 -8.629 -4.666 1.00 0.00 H new ATOM 206 N HIS A 17 -7.687 -9.873 -0.957 1.00 0.00 N ATOM 207 CA HIS A 17 -7.423 -10.838 0.104 1.00 0.00 C ATOM 208 C HIS A 17 -6.047 -10.606 0.720 1.00 0.00 C ATOM 209 O HIS A 17 -5.084 -10.299 0.016 1.00 0.00 O ATOM 210 CB HIS A 17 -7.518 -12.264 -0.439 1.00 0.00 C ATOM 211 CG HIS A 17 -7.694 -13.301 0.627 1.00 0.00 C ATOM 212 ND1 HIS A 17 -6.780 -14.309 0.855 1.00 0.00 N ATOM 213 CD2 HIS A 17 -8.684 -13.481 1.532 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.203 -15.065 1.852 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.356 -14.584 2.281 1.00 0.00 N ATOM 0 H HIS A 17 -7.301 -10.130 -1.866 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.176 -10.702 0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.355 -12.324 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.615 -12.488 -1.007 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.568 -12.870 1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.693 -15.930 2.249 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.912 -14.969 3.044 1.00 0.00 H new ATOM 223 N VAL A 18 -5.961 -10.753 2.038 1.00 0.00 N ATOM 224 CA VAL A 18 -4.702 -10.560 2.748 1.00 0.00 C ATOM 225 C VAL A 18 -3.518 -11.009 1.900 1.00 0.00 C ATOM 226 O VAL A 18 -2.502 -10.318 1.820 1.00 0.00 O ATOM 227 CB VAL A 18 -4.686 -11.331 4.081 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.321 -11.225 4.744 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.779 -10.817 5.007 1.00 0.00 C ATOM 0 H VAL A 18 -6.748 -11.005 2.636 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.614 -9.493 2.952 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.882 -12.383 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.330 -11.776 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.562 -11.645 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.092 -10.177 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.753 -11.373 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.617 -9.758 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.751 -10.951 4.532 1.00 0.00 H new ATOM 239 N ASP A 19 -3.656 -12.169 1.268 1.00 0.00 N ATOM 240 CA ASP A 19 -2.597 -12.710 0.423 1.00 0.00 C ATOM 241 C ASP A 19 -2.333 -11.796 -0.769 1.00 0.00 C ATOM 242 O ASP A 19 -1.197 -11.387 -1.009 1.00 0.00 O ATOM 243 CB ASP A 19 -2.971 -14.110 -0.065 1.00 0.00 C ATOM 244 CG ASP A 19 -2.497 -15.198 0.878 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.281 -15.479 0.897 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.343 -15.770 1.598 1.00 0.00 O ATOM 0 H ASP A 19 -4.490 -12.753 1.324 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.686 -12.772 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.053 -14.176 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.539 -14.275 -1.052 1.00 0.00 H new ATOM 251 N GLU A 20 -3.389 -11.480 -1.512 1.00 0.00 N ATOM 252 CA GLU A 20 -3.269 -10.615 -2.680 1.00 0.00 C ATOM 253 C GLU A 20 -2.609 -9.290 -2.311 1.00 0.00 C ATOM 254 O GLU A 20 -1.565 -8.931 -2.855 1.00 0.00 O ATOM 255 CB GLU A 20 -4.646 -10.358 -3.295 1.00 0.00 C ATOM 256 CG GLU A 20 -5.045 -11.382 -4.344 1.00 0.00 C ATOM 257 CD GLU A 20 -4.456 -11.080 -5.708 1.00 0.00 C ATOM 258 OE1 GLU A 20 -4.206 -9.891 -5.997 1.00 0.00 O ATOM 259 OE2 GLU A 20 -4.244 -12.033 -6.487 1.00 0.00 O ATOM 0 H GLU A 20 -4.336 -11.810 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.641 -11.122 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.394 -10.353 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.653 -9.366 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.719 -12.371 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.132 -11.413 -4.421 1.00 0.00 H new ATOM 266 N ALA A 21 -3.226 -8.567 -1.382 1.00 0.00 N ATOM 267 CA ALA A 21 -2.699 -7.282 -0.938 1.00 0.00 C ATOM 268 C ALA A 21 -1.195 -7.359 -0.698 1.00 0.00 C ATOM 269 O ALA A 21 -0.446 -6.465 -1.094 1.00 0.00 O ATOM 270 CB ALA A 21 -3.415 -6.826 0.324 1.00 0.00 C ATOM 0 H ALA A 21 -4.092 -8.849 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.877 -6.551 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.012 -5.865 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.481 -6.722 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.267 -7.563 1.113 1.00 0.00 H new ATOM 276 N LEU A 22 -0.760 -8.432 -0.046 1.00 0.00 N ATOM 277 CA LEU A 22 0.656 -8.626 0.248 1.00 0.00 C ATOM 278 C LEU A 22 1.482 -8.636 -1.034 1.00 0.00 C ATOM 279 O LEU A 22 2.376 -7.810 -1.214 1.00 0.00 O ATOM 280 CB LEU A 22 0.864 -9.934 1.013 1.00 0.00 C ATOM 281 CG LEU A 22 0.552 -9.893 2.509 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.519 -11.300 3.086 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.573 -9.037 3.244 1.00 0.00 C ATOM 0 H LEU A 22 -1.367 -9.180 0.289 1.00 0.00 H new ATOM 0 HA LEU A 22 0.990 -7.794 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.243 -10.703 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.901 -10.244 0.887 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.432 -9.444 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.296 -11.251 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.251 -11.883 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.489 -11.776 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.335 -9.019 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.569 -9.456 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.547 -8.021 2.850 1.00 0.00 H new ATOM 295 N GLU A 23 1.175 -9.577 -1.922 1.00 0.00 N ATOM 296 CA GLU A 23 1.889 -9.693 -3.189 1.00 0.00 C ATOM 297 C GLU A 23 1.968 -8.343 -3.894 1.00 0.00 C ATOM 298 O GLU A 23 3.014 -7.968 -4.426 1.00 0.00 O ATOM 299 CB GLU A 23 1.201 -10.715 -4.096 1.00 0.00 C ATOM 300 CG GLU A 23 1.247 -12.135 -3.557 1.00 0.00 C ATOM 301 CD GLU A 23 1.152 -13.179 -4.653 1.00 0.00 C ATOM 302 OE1 GLU A 23 1.746 -12.962 -5.730 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.485 -14.211 -4.435 1.00 0.00 O ATOM 0 H GLU A 23 0.438 -10.269 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 23 2.903 -10.032 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.160 -10.422 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.673 -10.693 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.174 -12.279 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.428 -12.279 -2.852 1.00 0.00 H new ATOM 310 N HIS A 24 0.855 -7.616 -3.896 1.00 0.00 N ATOM 311 CA HIS A 24 0.798 -6.306 -4.536 1.00 0.00 C ATOM 312 C HIS A 24 1.672 -5.300 -3.794 1.00 0.00 C ATOM 313 O HIS A 24 2.394 -4.515 -4.410 1.00 0.00 O ATOM 314 CB HIS A 24 -0.645 -5.804 -4.590 1.00 0.00 C ATOM 315 CG HIS A 24 -1.408 -6.300 -5.780 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.136 -5.894 -7.070 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.437 -7.174 -5.871 1.00 0.00 C ATOM 318 CE1 HIS A 24 -1.967 -6.496 -7.903 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.766 -7.279 -7.200 1.00 0.00 N ATOM 0 H HIS A 24 -0.019 -7.912 -3.462 1.00 0.00 H new ATOM 0 HA HIS A 24 1.177 -6.409 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.163 -6.113 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.642 -4.714 -4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.911 -7.693 -5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.989 -6.369 -8.975 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.507 -7.866 -7.582 1.00 0.00 H new ATOM 327 N LEU A 25 1.600 -5.327 -2.467 1.00 0.00 N ATOM 328 CA LEU A 25 2.384 -4.416 -1.640 1.00 0.00 C ATOM 329 C LEU A 25 3.872 -4.541 -1.952 1.00 0.00 C ATOM 330 O LEU A 25 4.620 -3.568 -1.858 1.00 0.00 O ATOM 331 CB LEU A 25 2.136 -4.701 -0.158 1.00 0.00 C ATOM 332 CG LEU A 25 2.998 -3.914 0.830 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.317 -2.608 1.210 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.286 -4.748 2.070 1.00 0.00 C ATOM 0 H LEU A 25 1.007 -5.969 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 25 2.069 -3.397 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.088 -4.495 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.295 -5.765 0.019 1.00 0.00 H new ATOM 0 HG LEU A 25 3.946 -3.679 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.945 -2.062 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.164 -2.004 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.354 -2.821 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.901 -4.172 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.347 -5.015 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.817 -5.656 1.783 1.00 0.00 H new ATOM 346 N MET A 26 4.294 -5.745 -2.325 1.00 0.00 N ATOM 347 CA MET A 26 5.692 -5.996 -2.655 1.00 0.00 C ATOM 348 C MET A 26 6.014 -5.511 -4.065 1.00 0.00 C ATOM 349 O MET A 26 6.956 -4.745 -4.267 1.00 0.00 O ATOM 350 CB MET A 26 6.007 -7.488 -2.531 1.00 0.00 C ATOM 351 CG MET A 26 5.689 -8.065 -1.162 1.00 0.00 C ATOM 352 SD MET A 26 5.966 -9.845 -1.076 1.00 0.00 S ATOM 353 CE MET A 26 4.404 -10.399 -0.398 1.00 0.00 C ATOM 0 H MET A 26 3.688 -6.562 -2.406 1.00 0.00 H new ATOM 0 HA MET A 26 6.311 -5.442 -1.950 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.442 -8.034 -3.286 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.064 -7.647 -2.747 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.304 -7.569 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.649 -7.851 -0.914 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.589 -11.098 0.418 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.846 -9.541 -0.022 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.825 -10.896 -1.177 1.00 0.00 H new ATOM 363 N ARG A 27 5.226 -5.963 -5.035 1.00 0.00 N ATOM 364 CA ARG A 27 5.429 -5.576 -6.426 1.00 0.00 C ATOM 365 C ARG A 27 5.384 -4.059 -6.580 1.00 0.00 C ATOM 366 O ARG A 27 6.195 -3.472 -7.297 1.00 0.00 O ATOM 367 CB ARG A 27 4.368 -6.222 -7.318 1.00 0.00 C ATOM 368 CG ARG A 27 4.702 -7.647 -7.729 1.00 0.00 C ATOM 369 CD ARG A 27 5.554 -7.677 -8.989 1.00 0.00 C ATOM 370 NE ARG A 27 5.401 -8.930 -9.722 1.00 0.00 N ATOM 371 CZ ARG A 27 6.190 -9.294 -10.727 1.00 0.00 C ATOM 372 NH1 ARG A 27 7.181 -8.504 -11.116 1.00 0.00 N ATOM 373 NH2 ARG A 27 5.988 -10.451 -11.346 1.00 0.00 N ATOM 0 H ARG A 27 4.442 -6.597 -4.883 1.00 0.00 H new ATOM 0 HA ARG A 27 6.414 -5.926 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.413 -6.219 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.241 -5.615 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.232 -8.146 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.780 -8.204 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.277 -6.843 -9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.602 -7.539 -8.722 1.00 0.00 H new ATOM 0 HE ARG A 27 4.647 -9.560 -9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.339 -7.614 -10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.785 -8.786 -11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.226 -11.062 -11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.594 -10.729 -12.117 1.00 0.00 H new ATOM 387 N VAL A 28 4.429 -3.428 -5.903 1.00 0.00 N ATOM 388 CA VAL A 28 4.278 -1.980 -5.964 1.00 0.00 C ATOM 389 C VAL A 28 5.411 -1.277 -5.226 1.00 0.00 C ATOM 390 O VAL A 28 5.837 -0.187 -5.612 1.00 0.00 O ATOM 391 CB VAL A 28 2.932 -1.530 -5.364 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.773 -2.091 -6.172 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.831 -1.955 -3.906 1.00 0.00 C ATOM 0 H VAL A 28 3.749 -3.898 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 28 4.308 -1.703 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 28 2.880 -0.442 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.831 -1.763 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.839 -1.733 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.817 -3.180 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.874 -1.629 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.904 -3.040 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.642 -1.500 -3.337 1.00 0.00 H new ATOM 403 N LEU A 29 5.897 -1.907 -4.162 1.00 0.00 N ATOM 404 CA LEU A 29 6.984 -1.343 -3.369 1.00 0.00 C ATOM 405 C LEU A 29 8.238 -1.156 -4.217 1.00 0.00 C ATOM 406 O LEU A 29 8.990 -0.201 -4.027 1.00 0.00 O ATOM 407 CB LEU A 29 7.292 -2.247 -2.174 1.00 0.00 C ATOM 408 CG LEU A 29 6.536 -1.935 -0.883 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.538 -3.142 0.043 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.144 -0.726 -0.187 1.00 0.00 C ATOM 0 H LEU A 29 5.556 -2.808 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 29 6.666 -0.366 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.076 -3.277 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.361 -2.191 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 29 5.503 -1.701 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.995 -2.900 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.055 -3.983 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.565 -3.409 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.593 -0.519 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.187 -0.932 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.089 0.140 -0.847 1.00 0.00 H new ATOM 422 N GLU A 30 8.454 -2.073 -5.154 1.00 0.00 N ATOM 423 CA GLU A 30 9.616 -2.008 -6.032 1.00 0.00 C ATOM 424 C GLU A 30 9.294 -1.230 -7.305 1.00 0.00 C ATOM 425 O GLU A 30 10.048 -0.348 -7.716 1.00 0.00 O ATOM 426 CB GLU A 30 10.094 -3.417 -6.389 1.00 0.00 C ATOM 427 CG GLU A 30 9.092 -4.208 -7.213 1.00 0.00 C ATOM 428 CD GLU A 30 9.551 -5.628 -7.484 1.00 0.00 C ATOM 429 OE1 GLU A 30 9.981 -6.305 -6.528 1.00 0.00 O ATOM 430 OE2 GLU A 30 9.479 -6.061 -8.654 1.00 0.00 O ATOM 0 H GLU A 30 7.840 -2.869 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 30 10.412 -1.487 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.030 -3.345 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.308 -3.963 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.136 -4.233 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.923 -3.697 -8.161 1.00 0.00 H new ATOM 437 N LYS A 31 8.168 -1.565 -7.926 1.00 0.00 N ATOM 438 CA LYS A 31 7.742 -0.899 -9.152 1.00 0.00 C ATOM 439 C LYS A 31 7.574 0.600 -8.927 1.00 0.00 C ATOM 440 O LYS A 31 8.174 1.415 -9.629 1.00 0.00 O ATOM 441 CB LYS A 31 6.428 -1.501 -9.653 1.00 0.00 C ATOM 442 CG LYS A 31 5.853 -0.783 -10.862 1.00 0.00 C ATOM 443 CD LYS A 31 6.489 -1.269 -12.154 1.00 0.00 C ATOM 444 CE LYS A 31 5.785 -2.506 -12.690 1.00 0.00 C ATOM 445 NZ LYS A 31 4.406 -2.200 -13.161 1.00 0.00 N ATOM 0 H LYS A 31 7.533 -2.294 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 31 8.515 -1.051 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.591 -2.549 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.696 -1.479 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.776 -0.943 -10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.012 0.290 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.452 -0.475 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.541 -1.494 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.365 -2.926 -13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.742 -3.266 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.100 -2.929 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.757 -2.186 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.397 -1.271 -13.628 1.00 0.00 H new ATOM 459 N LYS A 32 6.757 0.958 -7.942 1.00 0.00 N ATOM 460 CA LYS A 32 6.512 2.359 -7.622 1.00 0.00 C ATOM 461 C LYS A 32 7.822 3.137 -7.543 1.00 0.00 C ATOM 462 O LYS A 32 7.993 4.155 -8.214 1.00 0.00 O ATOM 463 CB LYS A 32 5.757 2.476 -6.296 1.00 0.00 C ATOM 464 CG LYS A 32 4.355 1.894 -6.341 1.00 0.00 C ATOM 465 CD LYS A 32 3.366 2.868 -6.959 1.00 0.00 C ATOM 466 CE LYS A 32 1.930 2.420 -6.738 1.00 0.00 C ATOM 467 NZ LYS A 32 1.369 2.962 -5.469 1.00 0.00 N ATOM 0 H LYS A 32 6.253 0.297 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 32 5.904 2.786 -8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.327 1.969 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.696 3.527 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.363 0.968 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.033 1.639 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.510 3.858 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.560 2.956 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.314 2.747 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.888 1.331 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.333 3.011 -5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.632 2.339 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.750 3.915 -5.300 1.00 0.00 H new ATOM 481 N THR A 33 8.746 2.649 -6.721 1.00 0.00 N ATOM 482 CA THR A 33 10.040 3.298 -6.555 1.00 0.00 C ATOM 483 C THR A 33 10.851 3.246 -7.845 1.00 0.00 C ATOM 484 O THR A 33 11.707 4.096 -8.085 1.00 0.00 O ATOM 485 CB THR A 33 10.856 2.644 -5.423 1.00 0.00 C ATOM 486 OG1 THR A 33 12.053 3.392 -5.187 1.00 0.00 O ATOM 487 CG2 THR A 33 11.210 1.206 -5.773 1.00 0.00 C ATOM 0 H THR A 33 8.622 1.806 -6.160 1.00 0.00 H new ATOM 0 HA THR A 33 9.841 4.338 -6.296 1.00 0.00 H new ATOM 0 HB THR A 33 10.246 2.642 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.484 3.070 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.786 0.765 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.295 0.632 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.803 1.189 -6.688 1.00 0.00 H new ATOM 495 N GLU A 34 10.573 2.243 -8.673 1.00 0.00 N ATOM 496 CA GLU A 34 11.278 2.081 -9.939 1.00 0.00 C ATOM 497 C GLU A 34 11.235 3.371 -10.754 1.00 0.00 C ATOM 498 O GLU A 34 12.237 3.779 -11.341 1.00 0.00 O ATOM 499 CB GLU A 34 10.666 0.934 -10.746 1.00 0.00 C ATOM 500 CG GLU A 34 11.590 0.384 -11.819 1.00 0.00 C ATOM 501 CD GLU A 34 11.645 1.266 -13.051 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.604 1.406 -13.727 1.00 0.00 O ATOM 503 OE2 GLU A 34 12.728 1.816 -13.339 1.00 0.00 O ATOM 0 H GLU A 34 9.865 1.532 -8.490 1.00 0.00 H new ATOM 0 HA GLU A 34 12.319 1.845 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.393 0.128 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.745 1.281 -11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.594 0.277 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.255 -0.613 -12.105 1.00 0.00 H new ATOM 510 N GLU A 35 10.068 4.006 -10.785 1.00 0.00 N ATOM 511 CA GLU A 35 9.894 5.248 -11.529 1.00 0.00 C ATOM 512 C GLU A 35 10.465 6.431 -10.753 1.00 0.00 C ATOM 513 O GLU A 35 10.956 7.395 -11.342 1.00 0.00 O ATOM 514 CB GLU A 35 8.412 5.487 -11.827 1.00 0.00 C ATOM 515 CG GLU A 35 7.762 4.365 -12.620 1.00 0.00 C ATOM 516 CD GLU A 35 6.280 4.229 -12.329 1.00 0.00 C ATOM 517 OE1 GLU A 35 5.599 5.271 -12.221 1.00 0.00 O ATOM 518 OE2 GLU A 35 5.801 3.082 -12.210 1.00 0.00 O ATOM 0 H GLU A 35 9.229 3.681 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 35 10.436 5.157 -12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.877 5.613 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.307 6.420 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.904 4.548 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.262 3.424 -12.389 1.00 0.00 H new ATOM 525 N PHE A 36 10.397 6.351 -9.428 1.00 0.00 N ATOM 526 CA PHE A 36 10.906 7.415 -8.571 1.00 0.00 C ATOM 527 C PHE A 36 12.420 7.546 -8.707 1.00 0.00 C ATOM 528 O PHE A 36 12.980 8.629 -8.534 1.00 0.00 O ATOM 529 CB PHE A 36 10.535 7.144 -7.111 1.00 0.00 C ATOM 530 CG PHE A 36 11.528 7.694 -6.128 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.523 9.040 -5.797 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.468 6.866 -5.536 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.435 9.549 -4.892 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.383 7.370 -4.631 1.00 0.00 C ATOM 535 CZ PHE A 36 13.367 8.713 -4.309 1.00 0.00 C ATOM 0 H PHE A 36 9.994 5.560 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 36 10.448 8.352 -8.887 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.556 7.577 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.445 6.068 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.798 9.699 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.486 5.815 -5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.419 10.599 -4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.110 6.714 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.082 9.109 -3.603 1.00 0.00 H new ATOM 545 N LYS A 37 13.079 6.434 -9.016 1.00 0.00 N ATOM 546 CA LYS A 37 14.528 6.422 -9.176 1.00 0.00 C ATOM 547 C LYS A 37 14.922 6.812 -10.597 1.00 0.00 C ATOM 548 O LYS A 37 15.900 7.529 -10.804 1.00 0.00 O ATOM 549 CB LYS A 37 15.087 5.037 -8.843 1.00 0.00 C ATOM 550 CG LYS A 37 14.897 4.637 -7.390 1.00 0.00 C ATOM 551 CD LYS A 37 15.249 3.177 -7.163 1.00 0.00 C ATOM 552 CE LYS A 37 15.356 2.854 -5.680 1.00 0.00 C ATOM 553 NZ LYS A 37 15.326 1.386 -5.429 1.00 0.00 N ATOM 0 H LYS A 37 12.632 5.529 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 37 14.950 7.153 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.604 4.297 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.151 5.017 -9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.520 5.266 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.862 4.813 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.490 2.543 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.194 2.949 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.281 3.272 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.535 3.331 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.401 1.207 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.432 0.991 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.124 0.934 -5.919 1.00 0.00 H new ATOM 567 N GLN A 38 14.152 6.338 -11.571 1.00 0.00 N ATOM 568 CA GLN A 38 14.421 6.639 -12.973 1.00 0.00 C ATOM 569 C GLN A 38 13.830 7.989 -13.363 1.00 0.00 C ATOM 570 O GLN A 38 14.541 8.878 -13.827 1.00 0.00 O ATOM 571 CB GLN A 38 13.851 5.540 -13.871 1.00 0.00 C ATOM 572 CG GLN A 38 13.378 6.045 -15.224 1.00 0.00 C ATOM 573 CD GLN A 38 13.564 5.022 -16.327 1.00 0.00 C ATOM 574 OE1 GLN A 38 12.781 4.080 -16.455 1.00 0.00 O ATOM 575 NE2 GLN A 38 14.605 5.201 -17.132 1.00 0.00 N ATOM 0 H GLN A 38 13.337 5.744 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 38 15.502 6.684 -13.108 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.613 4.776 -14.024 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.016 5.061 -13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.324 6.315 -15.158 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.924 6.953 -15.480 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.229 5.995 -16.990 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.781 4.544 -17.892 1.00 0.00 H new ATOM 584 N ASN A 39 12.523 8.135 -13.170 1.00 0.00 N ATOM 585 CA ASN A 39 11.835 9.377 -13.503 1.00 0.00 C ATOM 586 C ASN A 39 11.892 10.360 -12.338 1.00 0.00 C ATOM 587 O ASN A 39 12.537 11.404 -12.423 1.00 0.00 O ATOM 588 CB ASN A 39 10.378 9.094 -13.875 1.00 0.00 C ATOM 589 CG ASN A 39 10.231 8.596 -15.300 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.499 7.431 -15.593 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.804 9.480 -16.194 1.00 0.00 N ATOM 0 H ASN A 39 11.919 7.409 -12.785 1.00 0.00 H new ATOM 0 HA ASN A 39 12.341 9.825 -14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.969 8.352 -13.190 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.790 10.003 -13.748 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.686 9.203 -17.169 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.594 10.436 -15.906 1.00 0.00 H new ATOM 598 N GLY A 40 11.213 10.016 -11.247 1.00 0.00 N ATOM 599 CA GLY A 40 11.200 10.878 -10.080 1.00 0.00 C ATOM 600 C GLY A 40 9.872 10.844 -9.349 1.00 0.00 C ATOM 601 O GLY A 40 8.817 10.719 -9.969 1.00 0.00 O ATOM 0 H GLY A 40 10.672 9.156 -11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.994 10.574 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.417 11.902 -10.386 1.00 0.00 H new ATOM 605 N GLY A 41 9.924 10.953 -8.024 1.00 0.00 N ATOM 606 CA GLY A 41 8.710 10.929 -7.230 1.00 0.00 C ATOM 607 C GLY A 41 8.976 11.178 -5.758 1.00 0.00 C ATOM 608 O GLY A 41 10.003 11.750 -5.392 1.00 0.00 O ATOM 0 H GLY A 41 10.785 11.057 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.019 11.685 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.220 9.963 -7.349 1.00 0.00 H new ATOM 612 N LYS A 42 8.047 10.749 -4.911 1.00 0.00 N ATOM 613 CA LYS A 42 8.184 10.928 -3.470 1.00 0.00 C ATOM 614 C LYS A 42 8.921 9.749 -2.843 1.00 0.00 C ATOM 615 O LYS A 42 8.765 8.599 -3.254 1.00 0.00 O ATOM 616 CB LYS A 42 6.806 11.085 -2.822 1.00 0.00 C ATOM 617 CG LYS A 42 6.039 9.780 -2.699 1.00 0.00 C ATOM 618 CD LYS A 42 5.048 9.606 -3.838 1.00 0.00 C ATOM 619 CE LYS A 42 4.410 8.226 -3.816 1.00 0.00 C ATOM 620 NZ LYS A 42 3.277 8.154 -2.852 1.00 0.00 N ATOM 0 H LYS A 42 7.191 10.275 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 42 8.767 11.832 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.928 11.520 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.216 11.789 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.739 8.945 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.508 9.757 -1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.272 10.368 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.556 9.758 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.053 7.975 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.161 7.483 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.869 7.198 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.622 8.369 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.548 8.845 -3.121 1.00 0.00 H new ATOM 634 N PRO A 43 9.742 10.038 -1.823 1.00 0.00 N ATOM 635 CA PRO A 43 10.518 9.014 -1.116 1.00 0.00 C ATOM 636 C PRO A 43 9.636 8.097 -0.275 1.00 0.00 C ATOM 637 O PRO A 43 10.133 7.211 0.422 1.00 0.00 O ATOM 638 CB PRO A 43 11.449 9.832 -0.218 1.00 0.00 C ATOM 639 CG PRO A 43 10.736 11.124 -0.009 1.00 0.00 C ATOM 640 CD PRO A 43 9.976 11.387 -1.280 1.00 0.00 C ATOM 0 HA PRO A 43 11.042 8.351 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.633 9.324 0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.419 9.987 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.061 11.064 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.440 11.930 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.040 11.911 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.550 12.004 -1.971 1.00 0.00 H new ATOM 648 N TYR A 44 8.328 8.314 -0.345 1.00 0.00 N ATOM 649 CA TYR A 44 7.378 7.507 0.411 1.00 0.00 C ATOM 650 C TYR A 44 6.339 6.879 -0.513 1.00 0.00 C ATOM 651 O TYR A 44 6.354 7.099 -1.725 1.00 0.00 O ATOM 652 CB TYR A 44 6.682 8.362 1.472 1.00 0.00 C ATOM 653 CG TYR A 44 6.191 9.694 0.950 1.00 0.00 C ATOM 654 CD1 TYR A 44 7.033 10.798 0.905 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.885 9.847 0.501 1.00 0.00 C ATOM 656 CE1 TYR A 44 6.588 12.016 0.430 1.00 0.00 C ATOM 657 CE2 TYR A 44 4.432 11.061 0.023 1.00 0.00 C ATOM 658 CZ TYR A 44 5.287 12.143 -0.010 1.00 0.00 C ATOM 659 OH TYR A 44 4.840 13.354 -0.485 1.00 0.00 O ATOM 0 H TYR A 44 7.901 9.042 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 44 7.931 6.707 0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.837 7.806 1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.373 8.537 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.053 10.702 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.213 9.002 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.255 12.865 0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.414 11.163 -0.323 1.00 0.00 H new ATOM 0 HH TYR A 44 3.902 13.273 -0.756 1.00 0.00 H new ATOM 669 N LEU A 45 5.436 6.096 0.068 1.00 0.00 N ATOM 670 CA LEU A 45 4.388 5.435 -0.702 1.00 0.00 C ATOM 671 C LEU A 45 3.108 5.308 0.119 1.00 0.00 C ATOM 672 O LEU A 45 3.151 5.001 1.310 1.00 0.00 O ATOM 673 CB LEU A 45 4.856 4.052 -1.155 1.00 0.00 C ATOM 674 CG LEU A 45 3.905 3.291 -2.079 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.778 4.002 -3.417 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.385 1.860 -2.277 1.00 0.00 C ATOM 0 H LEU A 45 5.409 5.904 1.069 1.00 0.00 H new ATOM 0 HA LEU A 45 4.176 6.045 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.813 4.163 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.035 3.443 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 45 2.921 3.262 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.097 3.446 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.388 5.008 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.758 4.063 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.696 1.333 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.380 1.868 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.423 1.352 -1.313 1.00 0.00 H new ATOM 688 N SER A 46 1.971 5.545 -0.528 1.00 0.00 N ATOM 689 CA SER A 46 0.679 5.459 0.142 1.00 0.00 C ATOM 690 C SER A 46 0.055 4.081 -0.057 1.00 0.00 C ATOM 691 O SER A 46 -0.136 3.630 -1.187 1.00 0.00 O ATOM 692 CB SER A 46 -0.266 6.540 -0.385 1.00 0.00 C ATOM 693 OG SER A 46 0.229 7.836 -0.095 1.00 0.00 O ATOM 0 H SER A 46 1.919 5.798 -1.515 1.00 0.00 H new ATOM 0 HA SER A 46 0.840 5.616 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.388 6.427 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.252 6.415 0.063 1.00 0.00 H new ATOM 0 HG SER A 46 -0.392 8.509 -0.444 1.00 0.00 H new ATOM 699 N VAL A 47 -0.261 3.416 1.050 1.00 0.00 N ATOM 700 CA VAL A 47 -0.865 2.090 0.999 1.00 0.00 C ATOM 701 C VAL A 47 -2.102 2.014 1.886 1.00 0.00 C ATOM 702 O VAL A 47 -2.001 2.053 3.113 1.00 0.00 O ATOM 703 CB VAL A 47 0.134 1.001 1.435 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.526 -0.369 1.413 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.367 1.023 0.545 1.00 0.00 C ATOM 0 H VAL A 47 -0.109 3.774 1.993 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.154 1.914 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 47 0.449 1.209 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.195 -1.125 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.375 -0.375 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.871 -0.590 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.062 0.248 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.073 0.840 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.851 1.997 0.618 1.00 0.00 H new ATOM 715 N ILE A 48 -3.268 1.906 1.259 1.00 0.00 N ATOM 716 CA ILE A 48 -4.525 1.824 1.992 1.00 0.00 C ATOM 717 C ILE A 48 -4.943 0.373 2.205 1.00 0.00 C ATOM 718 O ILE A 48 -4.869 -0.448 1.290 1.00 0.00 O ATOM 719 CB ILE A 48 -5.655 2.569 1.258 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.301 4.049 1.100 1.00 0.00 C ATOM 721 CG2 ILE A 48 -6.969 2.410 2.008 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.004 4.719 -0.060 1.00 0.00 C ATOM 0 H ILE A 48 -3.369 1.873 0.244 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.357 2.298 2.959 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.771 2.135 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.554 4.575 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.224 4.144 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.758 2.942 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.225 1.353 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.867 2.821 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.705 5.766 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.731 4.218 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.083 4.656 0.083 1.00 0.00 H new ATOM 734 N THR A 49 -5.385 0.062 3.420 1.00 0.00 N ATOM 735 CA THR A 49 -5.816 -1.289 3.754 1.00 0.00 C ATOM 736 C THR A 49 -7.321 -1.345 3.987 1.00 0.00 C ATOM 737 O THR A 49 -7.965 -2.355 3.709 1.00 0.00 O ATOM 738 CB THR A 49 -5.094 -1.815 5.009 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.217 -0.869 6.077 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.623 -2.072 4.720 1.00 0.00 C ATOM 0 H THR A 49 -5.454 0.729 4.189 1.00 0.00 H new ATOM 0 HA THR A 49 -5.559 -1.921 2.904 1.00 0.00 H new ATOM 0 HB THR A 49 -5.560 -2.756 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.345 -0.457 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.135 -2.443 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.532 -2.814 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.147 -1.144 4.405 1.00 0.00 H new ATOM 885 N ARG A 61 -8.563 -7.339 7.555 1.00 0.00 N ATOM 886 CA ARG A 61 -7.458 -8.097 8.130 1.00 0.00 C ATOM 887 C ARG A 61 -6.215 -7.996 7.252 1.00 0.00 C ATOM 888 O ARG A 61 -5.294 -8.805 7.368 1.00 0.00 O ATOM 889 CB ARG A 61 -7.855 -9.564 8.303 1.00 0.00 C ATOM 890 CG ARG A 61 -7.003 -10.310 9.317 1.00 0.00 C ATOM 891 CD ARG A 61 -7.106 -11.816 9.130 1.00 0.00 C ATOM 892 NE ARG A 61 -8.192 -12.392 9.918 1.00 0.00 N ATOM 893 CZ ARG A 61 -9.453 -12.443 9.503 1.00 0.00 C ATOM 894 NH1 ARG A 61 -9.784 -11.956 8.315 1.00 0.00 N ATOM 895 NH2 ARG A 61 -10.386 -12.983 10.277 1.00 0.00 N ATOM 0 HA ARG A 61 -7.227 -7.672 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.899 -9.615 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.782 -10.068 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.963 -10.000 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.320 -10.045 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.265 -12.040 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.163 -12.282 9.417 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.971 -12.776 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.070 -11.541 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.753 -11.997 7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.135 -13.359 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.354 -13.022 9.958 1.00 0.00 H new ATOM 909 N ILE A 62 -6.196 -6.999 6.374 1.00 0.00 N ATOM 910 CA ILE A 62 -5.065 -6.792 5.477 1.00 0.00 C ATOM 911 C ILE A 62 -3.946 -6.023 6.171 1.00 0.00 C ATOM 912 O ILE A 62 -2.798 -6.466 6.200 1.00 0.00 O ATOM 913 CB ILE A 62 -5.486 -6.029 4.207 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.665 -6.732 3.531 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.312 -5.910 3.247 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.422 -5.848 2.565 1.00 0.00 C ATOM 0 H ILE A 62 -6.951 -6.322 6.264 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.702 -7.780 5.194 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.801 -5.025 4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.297 -7.608 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.352 -7.090 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.625 -5.368 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.499 -5.370 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.970 -6.906 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.244 -6.412 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.820 -4.984 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.749 -5.510 1.777 1.00 0.00 H new ATOM 928 N LYS A 63 -4.289 -4.868 6.732 1.00 0.00 N ATOM 929 CA LYS A 63 -3.315 -4.037 7.430 1.00 0.00 C ATOM 930 C LYS A 63 -2.430 -4.884 8.338 1.00 0.00 C ATOM 931 O LYS A 63 -1.204 -4.770 8.331 1.00 0.00 O ATOM 932 CB LYS A 63 -4.029 -2.962 8.253 1.00 0.00 C ATOM 933 CG LYS A 63 -3.320 -2.621 9.553 1.00 0.00 C ATOM 934 CD LYS A 63 -4.156 -1.692 10.416 1.00 0.00 C ATOM 935 CE LYS A 63 -3.399 -1.257 11.662 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.282 -0.547 12.628 1.00 0.00 N ATOM 0 H LYS A 63 -5.235 -4.486 6.717 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.683 -3.555 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.122 -2.058 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.040 -3.301 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.107 -3.537 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.361 -2.151 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.441 -0.814 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.078 -2.195 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.961 -2.131 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.574 -0.604 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.729 -0.267 13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.680 0.301 12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.055 -1.178 12.921 1.00 0.00 H new ATOM 950 N PRO A 64 -3.062 -5.754 9.140 1.00 0.00 N ATOM 951 CA PRO A 64 -2.350 -6.637 10.067 1.00 0.00 C ATOM 952 C PRO A 64 -1.182 -7.357 9.401 1.00 0.00 C ATOM 953 O PRO A 64 -0.037 -7.237 9.835 1.00 0.00 O ATOM 954 CB PRO A 64 -3.423 -7.641 10.495 1.00 0.00 C ATOM 955 CG PRO A 64 -4.712 -6.914 10.325 1.00 0.00 C ATOM 956 CD PRO A 64 -4.521 -5.942 9.201 1.00 0.00 C ATOM 0 HA PRO A 64 -1.908 -6.085 10.896 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.392 -8.540 9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.280 -7.957 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.520 -7.610 10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.985 -6.394 11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.913 -6.334 8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.037 -5.002 9.394 1.00 0.00 H new ATOM 964 N ALA A 65 -1.480 -8.106 8.344 1.00 0.00 N ATOM 965 CA ALA A 65 -0.454 -8.843 7.617 1.00 0.00 C ATOM 966 C ALA A 65 0.657 -7.913 7.141 1.00 0.00 C ATOM 967 O ALA A 65 1.827 -8.110 7.470 1.00 0.00 O ATOM 968 CB ALA A 65 -1.071 -9.578 6.436 1.00 0.00 C ATOM 0 H ALA A 65 -2.423 -8.218 7.972 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.015 -9.573 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.294 -10.124 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.824 -10.278 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.537 -8.858 5.763 1.00 0.00 H new ATOM 974 N VAL A 66 0.284 -6.900 6.366 1.00 0.00 N ATOM 975 CA VAL A 66 1.249 -5.939 5.846 1.00 0.00 C ATOM 976 C VAL A 66 2.265 -5.548 6.913 1.00 0.00 C ATOM 977 O VAL A 66 3.474 -5.658 6.705 1.00 0.00 O ATOM 978 CB VAL A 66 0.552 -4.668 5.326 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.579 -3.660 4.832 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.438 -5.017 4.225 1.00 0.00 C ATOM 0 H VAL A 66 -0.680 -6.724 6.084 1.00 0.00 H new ATOM 0 HA VAL A 66 1.765 -6.426 5.018 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.000 -4.214 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.068 -2.768 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.245 -3.388 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.161 -4.100 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.922 -4.107 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.090 -5.495 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.192 -5.699 4.617 1.00 0.00 H new ATOM 990 N ILE A 67 1.767 -5.092 8.058 1.00 0.00 N ATOM 991 CA ILE A 67 2.631 -4.686 9.159 1.00 0.00 C ATOM 992 C ILE A 67 3.663 -5.763 9.473 1.00 0.00 C ATOM 993 O ILE A 67 4.846 -5.472 9.654 1.00 0.00 O ATOM 994 CB ILE A 67 1.817 -4.383 10.431 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.923 -3.161 10.212 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.747 -4.162 11.614 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.266 -3.107 11.145 1.00 0.00 C ATOM 0 H ILE A 67 0.769 -4.995 8.247 1.00 0.00 H new ATOM 0 HA ILE A 67 3.143 -3.778 8.841 1.00 0.00 H new ATOM 0 HB ILE A 67 1.180 -5.240 10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.518 -2.257 10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.567 -3.162 9.182 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.157 -3.949 12.506 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.344 -5.059 11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.407 -3.320 11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.855 -2.215 10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.884 -3.993 10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.083 -3.074 12.177 1.00 0.00 H new ATOM 1009 N LYS A 68 3.208 -7.010 9.536 1.00 0.00 N ATOM 1010 CA LYS A 68 4.092 -8.133 9.826 1.00 0.00 C ATOM 1011 C LYS A 68 5.176 -8.261 8.761 1.00 0.00 C ATOM 1012 O LYS A 68 6.353 -8.438 9.077 1.00 0.00 O ATOM 1013 CB LYS A 68 3.288 -9.433 9.909 1.00 0.00 C ATOM 1014 CG LYS A 68 3.936 -10.495 10.780 1.00 0.00 C ATOM 1015 CD LYS A 68 2.988 -11.651 11.048 1.00 0.00 C ATOM 1016 CE LYS A 68 3.498 -12.541 12.172 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.026 -12.075 13.505 1.00 0.00 N ATOM 0 H LYS A 68 2.232 -7.268 9.390 1.00 0.00 H new ATOM 0 HA LYS A 68 4.571 -7.947 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.295 -9.212 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.154 -9.832 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.837 -10.868 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.247 -10.051 11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.003 -11.263 11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.868 -12.242 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.163 -13.565 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.588 -12.556 12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.394 -12.707 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.367 -11.107 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.986 -12.085 13.528 1.00 0.00 H new ATOM 1031 N TYR A 69 4.773 -8.170 7.499 1.00 0.00 N ATOM 1032 CA TYR A 69 5.710 -8.277 6.387 1.00 0.00 C ATOM 1033 C TYR A 69 6.744 -7.156 6.437 1.00 0.00 C ATOM 1034 O TYR A 69 7.935 -7.384 6.222 1.00 0.00 O ATOM 1035 CB TYR A 69 4.960 -8.236 5.054 1.00 0.00 C ATOM 1036 CG TYR A 69 5.864 -8.045 3.857 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.364 -6.790 3.531 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.218 -9.121 3.052 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.189 -6.612 2.438 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.044 -8.952 1.957 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.526 -7.696 1.654 1.00 0.00 C ATOM 1042 OH TYR A 69 8.349 -7.522 0.564 1.00 0.00 O ATOM 0 H TYR A 69 3.803 -8.022 7.220 1.00 0.00 H new ATOM 0 HA TYR A 69 6.230 -9.231 6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.401 -9.164 4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.231 -7.426 5.081 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.103 -5.939 4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.841 -10.106 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.568 -5.630 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.311 -9.799 1.342 1.00 0.00 H new ATOM 0 HH TYR A 69 8.489 -8.384 0.119 1.00 0.00 H new ATOM 1052 N LEU A 70 6.280 -5.944 6.722 1.00 0.00 N ATOM 1053 CA LEU A 70 7.162 -4.786 6.801 1.00 0.00 C ATOM 1054 C LEU A 70 8.229 -4.986 7.873 1.00 0.00 C ATOM 1055 O LEU A 70 9.425 -4.981 7.580 1.00 0.00 O ATOM 1056 CB LEU A 70 6.353 -3.523 7.101 1.00 0.00 C ATOM 1057 CG LEU A 70 5.315 -3.126 6.051 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.410 -2.026 6.584 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.999 -2.681 4.766 1.00 0.00 C ATOM 0 H LEU A 70 5.297 -5.738 6.902 1.00 0.00 H new ATOM 0 HA LEU A 70 7.658 -4.672 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.842 -3.661 8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.047 -2.693 7.229 1.00 0.00 H new ATOM 0 HG LEU A 70 4.700 -3.998 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.678 -1.757 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.893 -2.380 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.010 -1.152 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.245 -2.402 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.639 -1.823 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.604 -3.499 4.374 1.00 0.00 H new ATOM 1071 N ILE A 71 7.788 -5.164 9.113 1.00 0.00 N ATOM 1072 CA ILE A 71 8.705 -5.370 10.228 1.00 0.00 C ATOM 1073 C ILE A 71 9.778 -6.395 9.874 1.00 0.00 C ATOM 1074 O ILE A 71 10.967 -6.165 10.097 1.00 0.00 O ATOM 1075 CB ILE A 71 7.959 -5.839 11.491 1.00 0.00 C ATOM 1076 CG1 ILE A 71 6.918 -4.800 11.911 1.00 0.00 C ATOM 1077 CG2 ILE A 71 8.944 -6.097 12.622 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.961 -5.297 12.971 1.00 0.00 C ATOM 0 H ILE A 71 6.801 -5.170 9.372 1.00 0.00 H new ATOM 0 HA ILE A 71 9.177 -4.409 10.431 1.00 0.00 H new ATOM 0 HB ILE A 71 7.442 -6.772 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.431 -3.914 12.284 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.348 -4.493 11.034 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.402 -6.428 13.508 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.651 -6.869 12.320 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.485 -5.179 12.850 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.252 -4.508 13.220 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.420 -6.166 12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.520 -5.577 13.864 1.00 0.00 H new ATOM 1090 N SER A 72 9.350 -7.525 9.321 1.00 0.00 N ATOM 1091 CA SER A 72 10.274 -8.586 8.938 1.00 0.00 C ATOM 1092 C SER A 72 11.200 -8.122 7.817 1.00 0.00 C ATOM 1093 O SER A 72 12.407 -8.361 7.855 1.00 0.00 O ATOM 1094 CB SER A 72 9.501 -9.829 8.495 1.00 0.00 C ATOM 1095 OG SER A 72 8.708 -9.556 7.352 1.00 0.00 O ATOM 0 H SER A 72 8.369 -7.729 9.128 1.00 0.00 H new ATOM 0 HA SER A 72 10.882 -8.836 9.808 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.200 -10.636 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.864 -10.174 9.309 1.00 0.00 H new ATOM 0 HG SER A 72 8.403 -8.625 7.380 1.00 0.00 H new ATOM 1101 N HIS A 73 10.624 -7.458 6.820 1.00 0.00 N ATOM 1102 CA HIS A 73 11.397 -6.960 5.687 1.00 0.00 C ATOM 1103 C HIS A 73 12.155 -5.690 6.063 1.00 0.00 C ATOM 1104 O HIS A 73 12.810 -5.075 5.222 1.00 0.00 O ATOM 1105 CB HIS A 73 10.477 -6.685 4.497 1.00 0.00 C ATOM 1106 CG HIS A 73 10.178 -7.903 3.678 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.834 -8.198 2.502 1.00 0.00 N ATOM 1108 CD2 HIS A 73 9.287 -8.904 3.872 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.359 -9.327 2.007 1.00 0.00 C ATOM 1110 NE2 HIS A 73 9.419 -9.776 2.820 1.00 0.00 N ATOM 0 H HIS A 73 9.626 -7.252 6.773 1.00 0.00 H new ATOM 0 HA HIS A 73 12.121 -7.725 5.408 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.540 -6.264 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 73 10.938 -5.932 3.858 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.600 -8.999 4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.684 -9.802 1.093 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.879 -10.631 2.687 1.00 0.00 H new ATOM 1118 N SER A 74 12.060 -5.304 7.332 1.00 0.00 N ATOM 1119 CA SER A 74 12.733 -4.105 7.818 1.00 0.00 C ATOM 1120 C SER A 74 12.276 -2.873 7.043 1.00 0.00 C ATOM 1121 O SER A 74 13.087 -2.029 6.662 1.00 0.00 O ATOM 1122 CB SER A 74 14.250 -4.263 7.699 1.00 0.00 C ATOM 1123 OG SER A 74 14.927 -3.260 8.437 1.00 0.00 O ATOM 0 H SER A 74 11.524 -5.804 8.041 1.00 0.00 H new ATOM 0 HA SER A 74 12.470 -3.970 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.546 -5.248 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.543 -4.208 6.651 1.00 0.00 H new ATOM 0 HG SER A 74 14.650 -2.376 8.117 1.00 0.00 H new ATOM 1129 N PHE A 75 10.971 -2.778 6.812 1.00 0.00 N ATOM 1130 CA PHE A 75 10.404 -1.650 6.082 1.00 0.00 C ATOM 1131 C PHE A 75 9.917 -0.569 7.042 1.00 0.00 C ATOM 1132 O PHE A 75 9.122 -0.836 7.943 1.00 0.00 O ATOM 1133 CB PHE A 75 9.248 -2.119 5.196 1.00 0.00 C ATOM 1134 CG PHE A 75 9.690 -2.638 3.858 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.410 -1.832 2.990 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.387 -3.933 3.467 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.817 -2.307 1.758 1.00 0.00 C ATOM 1138 CE2 PHE A 75 9.793 -4.414 2.237 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.510 -3.600 1.381 1.00 0.00 C ATOM 0 H PHE A 75 10.286 -3.468 7.120 1.00 0.00 H new ATOM 0 HA PHE A 75 11.187 -1.226 5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.697 -2.902 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.557 -1.290 5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.656 -0.821 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.827 -4.574 4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.375 -1.668 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.550 -5.425 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.830 -3.974 0.419 1.00 0.00 H new ATOM 1149 N ARG A 76 10.402 0.652 6.843 1.00 0.00 N ATOM 1150 CA ARG A 76 10.018 1.774 7.691 1.00 0.00 C ATOM 1151 C ARG A 76 8.672 2.347 7.260 1.00 0.00 C ATOM 1152 O ARG A 76 8.401 2.495 6.068 1.00 0.00 O ATOM 1153 CB ARG A 76 11.088 2.866 7.643 1.00 0.00 C ATOM 1154 CG ARG A 76 10.823 4.021 8.596 1.00 0.00 C ATOM 1155 CD ARG A 76 12.085 4.828 8.858 1.00 0.00 C ATOM 1156 NE ARG A 76 11.857 5.904 9.819 1.00 0.00 N ATOM 1157 CZ ARG A 76 11.388 7.100 9.485 1.00 0.00 C ATOM 1158 NH1 ARG A 76 11.098 7.373 8.220 1.00 0.00 N ATOM 1159 NH2 ARG A 76 11.207 8.028 10.417 1.00 0.00 N ATOM 0 H ARG A 76 11.062 0.890 6.102 1.00 0.00 H new ATOM 0 HA ARG A 76 9.926 1.409 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.056 2.425 7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.155 3.253 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.055 4.671 8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.435 3.635 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.867 4.167 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.447 5.250 7.920 1.00 0.00 H new ATOM 0 HE ARG A 76 12.070 5.727 10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.235 6.663 7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.738 8.293 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.428 7.822 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.847 8.947 10.159 1.00 0.00 H new ATOM 1173 N PHE A 77 7.830 2.667 8.237 1.00 0.00 N ATOM 1174 CA PHE A 77 6.511 3.222 7.959 1.00 0.00 C ATOM 1175 C PHE A 77 5.944 3.922 9.191 1.00 0.00 C ATOM 1176 O PHE A 77 6.390 3.685 10.313 1.00 0.00 O ATOM 1177 CB PHE A 77 5.555 2.118 7.501 1.00 0.00 C ATOM 1178 CG PHE A 77 5.221 1.129 8.581 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.189 0.268 9.074 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.940 1.060 9.103 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.885 -0.643 10.068 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.630 0.151 10.098 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.603 -0.702 10.579 1.00 0.00 C ATOM 0 H PHE A 77 8.038 2.551 9.229 1.00 0.00 H new ATOM 0 HA PHE A 77 6.615 3.957 7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.633 2.574 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.001 1.588 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.192 0.309 8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.175 1.724 8.729 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.648 -1.308 10.445 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.628 0.108 10.498 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.362 -1.415 11.354 1.00 0.00 H new ATOM 1193 N SER A 78 4.958 4.787 8.972 1.00 0.00 N ATOM 1194 CA SER A 78 4.333 5.525 10.063 1.00 0.00 C ATOM 1195 C SER A 78 2.849 5.746 9.788 1.00 0.00 C ATOM 1196 O SER A 78 2.473 6.285 8.747 1.00 0.00 O ATOM 1197 CB SER A 78 5.033 6.871 10.263 1.00 0.00 C ATOM 1198 OG SER A 78 6.299 6.701 10.876 1.00 0.00 O ATOM 0 H SER A 78 4.575 4.993 8.049 1.00 0.00 H new ATOM 0 HA SER A 78 4.432 4.934 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.155 7.367 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.411 7.520 10.880 1.00 0.00 H new ATOM 0 HG SER A 78 6.500 5.745 10.952 1.00 0.00 H new ATOM 1204 N GLU A 79 2.010 5.326 10.730 1.00 0.00 N ATOM 1205 CA GLU A 79 0.567 5.478 10.590 1.00 0.00 C ATOM 1206 C GLU A 79 0.158 6.942 10.720 1.00 0.00 C ATOM 1207 O GLU A 79 0.220 7.521 11.805 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.162 4.638 11.641 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.536 4.165 11.198 1.00 0.00 C ATOM 1210 CD GLU A 79 -1.492 2.823 10.494 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -0.819 1.905 11.010 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.129 2.689 9.429 1.00 0.00 O ATOM 0 H GLU A 79 2.305 4.878 11.598 1.00 0.00 H new ATOM 0 HA GLU A 79 0.286 5.127 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.449 3.770 11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.266 5.224 12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.189 4.094 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.974 4.907 10.530 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.259 7.535 9.606 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.678 8.931 9.596 1.00 0.00 C ATOM 1221 C ILE A 80 -2.196 9.050 9.678 1.00 0.00 C ATOM 1222 O ILE A 80 -2.727 10.037 10.189 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.186 9.658 8.330 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.792 9.018 7.080 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.334 9.630 8.262 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.900 9.967 5.907 1.00 0.00 C ATOM 0 H ILE A 80 -0.316 7.071 8.700 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.231 9.400 10.472 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.510 10.698 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.184 8.161 6.789 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.784 8.637 7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.668 10.147 7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.747 10.127 9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.678 8.596 8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.338 9.445 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.533 10.812 6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.093 10.329 5.639 1.00 0.00 H new ATOM 1238 N LYS A 81 -2.892 8.037 9.173 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.350 8.025 9.191 1.00 0.00 C ATOM 1240 C LYS A 81 -4.876 6.675 9.668 1.00 0.00 C ATOM 1241 O LYS A 81 -4.222 5.641 9.528 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.900 8.334 7.797 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.376 9.634 7.211 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.273 10.808 7.565 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.398 10.973 6.555 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.892 11.426 5.230 1.00 0.00 N ATOM 0 H LYS A 81 -2.469 7.213 8.746 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.687 8.794 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.646 7.514 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.988 8.380 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.368 9.821 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.305 9.543 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.694 10.659 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.680 11.722 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.923 10.025 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.122 11.694 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.660 11.892 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.110 12.098 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.552 10.605 4.689 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.087 6.682 10.245 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.729 5.466 10.753 1.00 0.00 C ATOM 1262 C PRO A 82 -7.161 4.527 9.632 1.00 0.00 C ATOM 1263 O PRO A 82 -7.781 3.493 9.879 1.00 0.00 O ATOM 1264 CB PRO A 82 -7.951 5.998 11.506 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.251 7.308 10.864 1.00 0.00 C ATOM 1266 CD PRO A 82 -6.923 7.877 10.446 1.00 0.00 C ATOM 0 HA PRO A 82 -6.053 4.877 11.372 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.796 5.314 11.423 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.740 6.117 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.909 7.180 10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.761 7.976 11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.008 8.466 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.508 8.533 11.211 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.828 4.893 8.398 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.189 4.072 7.257 1.00 0.00 C ATOM 1276 C GLY A 83 -6.182 4.171 6.129 1.00 0.00 C ATOM 1277 O GLY A 83 -6.528 3.988 4.961 1.00 0.00 O ATOM 0 H GLY A 83 -6.314 5.744 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.274 3.033 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.170 4.375 6.891 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.933 4.463 6.477 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.873 4.589 5.484 1.00 0.00 C ATOM 1283 C CYS A 84 -2.515 4.256 6.093 1.00 0.00 C ATOM 1284 O CYS A 84 -2.341 4.302 7.312 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.852 6.005 4.906 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.289 6.094 3.190 1.00 0.00 S ATOM 0 H CYS A 84 -4.630 4.617 7.439 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.075 3.880 4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.855 6.427 4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.204 6.628 5.522 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.308 7.331 2.791 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.555 3.919 5.238 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.212 3.576 5.692 1.00 0.00 C ATOM 1294 C LEU A 85 0.845 4.218 4.800 1.00 0.00 C ATOM 1295 O LEU A 85 0.699 4.259 3.578 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.030 2.057 5.707 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.562 1.329 6.942 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.635 -0.169 6.688 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.309 1.626 8.153 1.00 0.00 C ATOM 0 H LEU A 85 -1.682 3.876 4.227 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.088 3.960 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.522 1.644 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.033 1.838 5.611 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.569 1.691 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.016 -0.671 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.302 -0.364 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.360 -0.548 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.085 1.100 9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.329 1.293 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.308 2.699 8.347 1.00 0.00 H new ATOM 1311 N LYS A 86 1.911 4.715 5.417 1.00 0.00 N ATOM 1312 CA LYS A 86 2.995 5.352 4.680 1.00 0.00 C ATOM 1313 C LYS A 86 4.299 4.581 4.855 1.00 0.00 C ATOM 1314 O LYS A 86 4.783 4.405 5.974 1.00 0.00 O ATOM 1315 CB LYS A 86 3.179 6.798 5.149 1.00 0.00 C ATOM 1316 CG LYS A 86 4.266 7.547 4.398 1.00 0.00 C ATOM 1317 CD LYS A 86 4.049 9.050 4.456 1.00 0.00 C ATOM 1318 CE LYS A 86 3.211 9.538 3.284 1.00 0.00 C ATOM 1319 NZ LYS A 86 1.754 9.508 3.592 1.00 0.00 N ATOM 0 H LYS A 86 2.047 4.689 6.427 1.00 0.00 H new ATOM 0 HA LYS A 86 2.731 5.350 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.236 7.331 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.417 6.799 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.239 7.302 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.282 7.221 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.555 9.311 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.013 9.558 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.506 10.555 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.410 8.916 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.294 8.769 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.617 9.302 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.332 10.432 3.367 1.00 0.00 H new ATOM 1333 N VAL A 87 4.865 4.123 3.743 1.00 0.00 N ATOM 1334 CA VAL A 87 6.115 3.372 3.774 1.00 0.00 C ATOM 1335 C VAL A 87 7.218 4.110 3.024 1.00 0.00 C ATOM 1336 O VAL A 87 7.194 4.201 1.797 1.00 0.00 O ATOM 1337 CB VAL A 87 5.942 1.969 3.161 1.00 0.00 C ATOM 1338 CG1 VAL A 87 7.258 1.206 3.195 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.851 1.200 3.891 1.00 0.00 C ATOM 0 H VAL A 87 4.478 4.259 2.809 1.00 0.00 H new ATOM 0 HA VAL A 87 6.398 3.270 4.822 1.00 0.00 H new ATOM 0 HB VAL A 87 5.641 2.081 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.117 0.217 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.010 1.751 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.592 1.102 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.742 0.211 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.120 1.096 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.908 1.741 3.809 1.00 0.00 H new ATOM 1349 N MET A 88 8.184 4.635 3.770 1.00 0.00 N ATOM 1350 CA MET A 88 9.298 5.364 3.174 1.00 0.00 C ATOM 1351 C MET A 88 10.152 4.442 2.311 1.00 0.00 C ATOM 1352 O MET A 88 10.771 3.502 2.812 1.00 0.00 O ATOM 1353 CB MET A 88 10.159 6.002 4.266 1.00 0.00 C ATOM 1354 CG MET A 88 9.378 6.903 5.208 1.00 0.00 C ATOM 1355 SD MET A 88 9.088 8.544 4.519 1.00 0.00 S ATOM 1356 CE MET A 88 10.685 9.311 4.789 1.00 0.00 C ATOM 0 H MET A 88 8.218 4.570 4.787 1.00 0.00 H new ATOM 0 HA MET A 88 8.888 6.149 2.539 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.639 5.213 4.846 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.954 6.582 3.798 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.421 6.436 5.440 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.922 6.999 6.148 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.556 10.226 5.367 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.331 8.624 5.336 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.141 9.550 3.828 1.00 0.00 H new ATOM 1366 N LEU A 89 10.181 4.715 1.011 1.00 0.00 N ATOM 1367 CA LEU A 89 10.960 3.909 0.077 1.00 0.00 C ATOM 1368 C LEU A 89 12.455 4.083 0.323 1.00 0.00 C ATOM 1369 O LEU A 89 12.903 5.136 0.776 1.00 0.00 O ATOM 1370 CB LEU A 89 10.620 4.292 -1.364 1.00 0.00 C ATOM 1371 CG LEU A 89 9.162 4.104 -1.783 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.941 4.619 -3.197 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.762 2.639 -1.678 1.00 0.00 C ATOM 0 H LEU A 89 9.674 5.488 0.580 1.00 0.00 H new ATOM 0 HA LEU A 89 10.704 2.862 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.888 5.338 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.248 3.703 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 89 8.532 4.682 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.897 4.476 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.187 5.680 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.580 4.070 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.721 2.524 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.398 2.041 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.880 2.302 -0.648 1.00 0.00 H new