USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot -59:sc= -0.124 USER MOD Set 1.2: A 97 THR OG1 : rot -126:sc= -1.98! USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.697 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 137:sc= 0.593 (180deg=-0.518) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6.39! C(o=-6.4!,f=-10!) USER MOD Single : A 28 GLN : amide:sc= -5.22! C(o=-5.2!,f=-8.1!) USER MOD Single : A 37 ASN : amide:sc= 0.881 K(o=0.88,f=-0.91) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -80:sc= -0.17 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.609 K(o=-0.61,f=-3) USER MOD Single : A 54 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.56) USER MOD Single : A 56 MET CE :methyl -167:sc= -2.08! (180deg=-2.33!) USER MOD Single : A 57 TYR OH : rot 0:sc= -1.46 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -9.26! C(o=-9.3!,f=-8.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0568 K(o=-0.057,f=-0.77) USER MOD Single : A 75 GLN : amide:sc= -0.672 K(o=-0.67,f=-3.8!) USER MOD Single : A 78 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.2!) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.0238 USER MOD Single : A 83 CYS SG : rot -70:sc= -8.17! USER MOD Single : A 86 TYR OH : rot -58:sc= 1.48 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -119:sc= -0.19 (180deg=-1.04) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -7.928 -1.822 -1.051 1.00 0.00 N ATOM 84 CA VAL A 9 -7.204 -1.064 -2.056 1.00 0.00 C ATOM 85 C VAL A 9 -5.911 -0.521 -1.445 1.00 0.00 C ATOM 86 O VAL A 9 -5.946 0.375 -0.602 1.00 0.00 O ATOM 87 CB VAL A 9 -8.101 0.034 -2.631 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.265 1.179 -3.207 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.055 -0.532 -3.684 1.00 0.00 C ATOM 0 HA VAL A 9 -6.924 -1.706 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.703 0.436 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.927 1.946 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.646 1.610 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.625 0.798 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.681 0.270 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.479 -0.973 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.686 -1.296 -3.230 1.00 0.00 H new ATOM 99 N ILE A 10 -4.799 -1.085 -1.893 1.00 0.00 N ATOM 100 CA ILE A 10 -3.497 -0.668 -1.401 1.00 0.00 C ATOM 101 C ILE A 10 -3.176 0.728 -1.939 1.00 0.00 C ATOM 102 O ILE A 10 -2.371 0.873 -2.858 1.00 0.00 O ATOM 103 CB ILE A 10 -2.435 -1.717 -1.739 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.777 -3.067 -1.106 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.040 -1.233 -1.339 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.056 -2.916 0.391 1.00 0.00 C ATOM 0 H ILE A 10 -4.773 -1.828 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.506 -0.596 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.428 -1.861 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.649 -3.494 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.952 -3.763 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.304 -1.997 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.806 -0.314 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.015 -1.043 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.296 -3.890 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.173 -2.511 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.897 -2.238 0.538 1.00 0.00 H new ATOM 118 N ARG A 11 -3.822 1.720 -1.344 1.00 0.00 N ATOM 119 CA ARG A 11 -3.615 3.099 -1.752 1.00 0.00 C ATOM 120 C ARG A 11 -2.123 3.440 -1.734 1.00 0.00 C ATOM 121 O ARG A 11 -1.540 3.633 -0.669 1.00 0.00 O ATOM 122 CB ARG A 11 -4.362 4.064 -0.829 1.00 0.00 C ATOM 123 CG ARG A 11 -5.876 3.890 -0.965 1.00 0.00 C ATOM 124 CD ARG A 11 -6.625 4.951 -0.155 1.00 0.00 C ATOM 125 NE ARG A 11 -8.085 4.744 -0.278 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.007 5.589 0.204 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.625 6.703 0.844 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.310 5.321 0.046 1.00 0.00 N ATOM 0 H ARG A 11 -4.489 1.596 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.004 3.207 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.063 3.889 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.087 5.091 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.161 3.961 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.164 2.896 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.329 4.897 0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.359 5.947 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.410 3.906 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.633 6.907 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.326 7.346 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.601 4.473 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.011 5.964 0.413 1.00 0.00 H new ATOM 142 N VAL A 12 -1.549 3.503 -2.927 1.00 0.00 N ATOM 143 CA VAL A 12 -0.137 3.817 -3.062 1.00 0.00 C ATOM 144 C VAL A 12 0.022 5.307 -3.368 1.00 0.00 C ATOM 145 O VAL A 12 -0.454 5.788 -4.395 1.00 0.00 O ATOM 146 CB VAL A 12 0.500 2.917 -4.123 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.967 3.288 -4.346 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.359 1.441 -3.746 1.00 0.00 C ATOM 0 H VAL A 12 -2.036 3.342 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 12 0.390 3.619 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.032 3.075 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.397 2.634 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.034 4.323 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.518 3.172 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.820 0.823 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.854 1.260 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.697 1.187 -3.661 1.00 0.00 H new ATOM 158 N PHE A 13 0.694 5.997 -2.458 1.00 0.00 N ATOM 159 CA PHE A 13 0.922 7.423 -2.618 1.00 0.00 C ATOM 160 C PHE A 13 2.091 7.688 -3.569 1.00 0.00 C ATOM 161 O PHE A 13 3.143 7.062 -3.454 1.00 0.00 O ATOM 162 CB PHE A 13 1.269 7.979 -1.235 1.00 0.00 C ATOM 163 CG PHE A 13 0.055 8.191 -0.328 1.00 0.00 C ATOM 164 CD1 PHE A 13 -0.874 7.208 -0.194 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.094 9.364 0.345 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.000 7.405 0.649 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.220 9.561 1.188 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.149 8.577 1.322 1.00 0.00 C ATOM 0 H PHE A 13 1.088 5.595 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 13 0.034 7.897 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.962 7.296 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.789 8.929 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.756 6.277 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.644 10.145 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.738 6.624 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.338 10.492 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.005 8.726 1.963 1.00 0.00 H new ATOM 178 N ILE A 14 1.867 8.618 -4.486 1.00 0.00 N ATOM 179 CA ILE A 14 2.889 8.973 -5.456 1.00 0.00 C ATOM 180 C ILE A 14 2.917 10.493 -5.626 1.00 0.00 C ATOM 181 O ILE A 14 1.886 11.154 -5.510 1.00 0.00 O ATOM 182 CB ILE A 14 2.673 8.212 -6.765 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.323 8.570 -7.391 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.824 6.704 -6.554 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.501 9.073 -8.826 1.00 0.00 C ATOM 0 H ILE A 14 0.993 9.136 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 14 3.874 8.673 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 14 3.447 8.518 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.672 7.696 -7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.832 9.336 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.666 6.187 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.826 6.487 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.088 6.363 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.527 9.321 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.132 9.962 -8.824 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.971 8.295 -9.428 1.00 0.00 H new ATOM 197 N ALA A 15 4.109 11.004 -5.899 1.00 0.00 N ATOM 198 CA ALA A 15 4.286 12.434 -6.086 1.00 0.00 C ATOM 199 C ALA A 15 5.093 12.681 -7.362 1.00 0.00 C ATOM 200 O ALA A 15 6.304 12.889 -7.304 1.00 0.00 O ATOM 201 CB ALA A 15 4.955 13.033 -4.847 1.00 0.00 C ATOM 0 H ALA A 15 4.962 10.453 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 15 3.321 12.928 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.088 14.106 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.327 12.857 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.927 12.564 -4.696 1.00 0.00 H new ATOM 207 N SER A 16 4.390 12.651 -8.484 1.00 0.00 N ATOM 208 CA SER A 16 5.026 12.869 -9.772 1.00 0.00 C ATOM 209 C SER A 16 6.074 13.977 -9.657 1.00 0.00 C ATOM 210 O SER A 16 7.177 13.851 -10.186 1.00 0.00 O ATOM 211 CB SER A 16 3.993 13.224 -10.844 1.00 0.00 C ATOM 212 OG SER A 16 4.557 14.013 -11.888 1.00 0.00 O ATOM 0 H SER A 16 3.386 12.479 -8.528 1.00 0.00 H new ATOM 0 HA SER A 16 5.517 11.943 -10.072 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.578 12.308 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.166 13.767 -10.385 1.00 0.00 H new ATOM 0 HG SER A 16 3.867 14.217 -12.553 1.00 0.00 H new ATOM 218 N SER A 17 5.692 15.039 -8.963 1.00 0.00 N ATOM 219 CA SER A 17 6.586 16.169 -8.772 1.00 0.00 C ATOM 220 C SER A 17 7.240 16.091 -7.391 1.00 0.00 C ATOM 221 O SER A 17 6.636 16.475 -6.391 1.00 0.00 O ATOM 222 CB SER A 17 5.839 17.495 -8.931 1.00 0.00 C ATOM 223 OG SER A 17 6.590 18.444 -9.683 1.00 0.00 O ATOM 0 H SER A 17 4.776 15.141 -8.526 1.00 0.00 H new ATOM 0 HA SER A 17 7.361 16.125 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.884 17.316 -9.424 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.617 17.906 -7.946 1.00 0.00 H new ATOM 0 HG SER A 17 6.079 19.276 -9.764 1.00 0.00 H new ATOM 229 N SER A 18 8.467 15.591 -7.380 1.00 0.00 N ATOM 230 CA SER A 18 9.210 15.458 -6.139 1.00 0.00 C ATOM 231 C SER A 18 10.603 16.072 -6.294 1.00 0.00 C ATOM 232 O SER A 18 10.884 17.131 -5.734 1.00 0.00 O ATOM 233 CB SER A 18 9.321 13.991 -5.718 1.00 0.00 C ATOM 234 OG SER A 18 10.148 13.243 -6.605 1.00 0.00 O ATOM 0 H SER A 18 8.965 15.273 -8.211 1.00 0.00 H new ATOM 0 HA SER A 18 8.669 15.993 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.727 13.933 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.326 13.546 -5.688 1.00 0.00 H new ATOM 0 HG SER A 18 10.195 12.312 -6.302 1.00 0.00 H new ATOM 240 N GLY A 19 11.438 15.382 -7.057 1.00 0.00 N ATOM 241 CA GLY A 19 12.794 15.847 -7.293 1.00 0.00 C ATOM 242 C GLY A 19 13.771 14.672 -7.366 1.00 0.00 C ATOM 243 O GLY A 19 14.794 14.752 -8.044 1.00 0.00 O ATOM 0 H GLY A 19 11.201 14.504 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.831 16.414 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.094 16.525 -6.494 1.00 0.00 H new ATOM 247 N PHE A 20 13.421 13.608 -6.657 1.00 0.00 N ATOM 248 CA PHE A 20 14.255 12.418 -6.633 1.00 0.00 C ATOM 249 C PHE A 20 13.699 11.340 -7.566 1.00 0.00 C ATOM 250 O PHE A 20 12.873 10.526 -7.156 1.00 0.00 O ATOM 251 CB PHE A 20 14.240 11.891 -5.197 1.00 0.00 C ATOM 252 CG PHE A 20 14.847 12.853 -4.174 1.00 0.00 C ATOM 253 CD1 PHE A 20 14.218 14.023 -3.884 1.00 0.00 C ATOM 254 CD2 PHE A 20 16.016 12.537 -3.554 1.00 0.00 C ATOM 255 CE1 PHE A 20 14.782 14.916 -2.935 1.00 0.00 C ATOM 256 CE2 PHE A 20 16.580 13.430 -2.605 1.00 0.00 C ATOM 257 CZ PHE A 20 15.951 14.601 -2.315 1.00 0.00 C ATOM 0 H PHE A 20 12.572 13.545 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 20 15.264 12.663 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.211 11.675 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.785 10.948 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.289 14.273 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.515 11.607 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.283 15.846 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.508 13.180 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.380 15.280 -1.593 1.00 0.00 H new ATOM 267 N VAL A 21 14.175 11.370 -8.802 1.00 0.00 N ATOM 268 CA VAL A 21 13.735 10.405 -9.796 1.00 0.00 C ATOM 269 C VAL A 21 13.749 9.004 -9.182 1.00 0.00 C ATOM 270 O VAL A 21 12.926 8.160 -9.533 1.00 0.00 O ATOM 271 CB VAL A 21 14.603 10.516 -11.051 1.00 0.00 C ATOM 272 CG1 VAL A 21 15.970 9.865 -10.832 1.00 0.00 C ATOM 273 CG2 VAL A 21 13.894 9.907 -12.263 1.00 0.00 C ATOM 0 H VAL A 21 14.860 12.047 -9.138 1.00 0.00 H new ATOM 0 HA VAL A 21 12.711 10.614 -10.105 1.00 0.00 H new ATOM 0 HB VAL A 21 14.765 11.575 -11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.567 9.958 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.482 10.362 -10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.836 8.810 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.532 9.999 -13.142 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.688 8.854 -12.073 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.956 10.434 -12.439 1.00 0.00 H new ATOM 283 N ALA A 22 14.692 8.800 -8.274 1.00 0.00 N ATOM 284 CA ALA A 22 14.824 7.515 -7.608 1.00 0.00 C ATOM 285 C ALA A 22 13.482 7.132 -6.980 1.00 0.00 C ATOM 286 O ALA A 22 13.098 5.963 -6.994 1.00 0.00 O ATOM 287 CB ALA A 22 15.951 7.588 -6.576 1.00 0.00 C ATOM 0 H ALA A 22 15.372 9.503 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 22 15.088 6.736 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.050 6.624 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.887 7.835 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.720 8.357 -5.839 1.00 0.00 H new ATOM 293 N ILE A 23 12.807 8.138 -6.444 1.00 0.00 N ATOM 294 CA ILE A 23 11.517 7.921 -5.812 1.00 0.00 C ATOM 295 C ILE A 23 10.540 7.348 -6.841 1.00 0.00 C ATOM 296 O ILE A 23 9.820 6.393 -6.554 1.00 0.00 O ATOM 297 CB ILE A 23 11.023 9.207 -5.145 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.833 9.516 -3.884 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.522 9.135 -4.859 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.442 10.875 -3.301 1.00 0.00 C ATOM 0 H ILE A 23 13.129 9.106 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 23 11.604 7.187 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 23 11.179 10.033 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.667 8.736 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.897 9.510 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.197 10.061 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.980 8.996 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.318 8.296 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.032 11.070 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.632 11.655 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.383 10.869 -3.043 1.00 0.00 H new ATOM 312 N LYS A 24 10.547 7.955 -8.018 1.00 0.00 N ATOM 313 CA LYS A 24 9.670 7.517 -9.091 1.00 0.00 C ATOM 314 C LYS A 24 9.816 6.006 -9.278 1.00 0.00 C ATOM 315 O LYS A 24 8.842 5.264 -9.157 1.00 0.00 O ATOM 316 CB LYS A 24 9.938 8.323 -10.364 1.00 0.00 C ATOM 317 CG LYS A 24 8.945 9.480 -10.499 1.00 0.00 C ATOM 318 CD LYS A 24 8.921 10.332 -9.229 1.00 0.00 C ATOM 319 CE LYS A 24 9.097 11.815 -9.560 1.00 0.00 C ATOM 320 NZ LYS A 24 10.489 12.243 -9.297 1.00 0.00 N ATOM 0 H LYS A 24 11.146 8.747 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 24 8.628 7.708 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.956 8.713 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.863 7.671 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.218 10.101 -11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.948 9.087 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.977 10.182 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.715 10.009 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.847 11.992 -10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.408 12.411 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.819 12.848 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.526 12.776 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.102 11.406 -9.225 1.00 0.00 H new ATOM 334 N LYS A 25 11.041 5.593 -9.571 1.00 0.00 N ATOM 335 CA LYS A 25 11.327 4.183 -9.776 1.00 0.00 C ATOM 336 C LYS A 25 10.568 3.357 -8.736 1.00 0.00 C ATOM 337 O LYS A 25 9.754 2.505 -9.088 1.00 0.00 O ATOM 338 CB LYS A 25 12.837 3.937 -9.775 1.00 0.00 C ATOM 339 CG LYS A 25 13.332 3.562 -11.173 1.00 0.00 C ATOM 340 CD LYS A 25 14.652 2.791 -11.098 1.00 0.00 C ATOM 341 CE LYS A 25 15.835 3.745 -10.925 1.00 0.00 C ATOM 342 NZ LYS A 25 16.703 3.298 -9.812 1.00 0.00 N ATOM 0 H LYS A 25 11.847 6.210 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 25 10.976 3.861 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.355 4.832 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.079 3.139 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.580 2.955 -11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.467 4.464 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.621 2.090 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.785 2.202 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.412 3.789 -11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.471 4.753 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.501 3.957 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.153 3.278 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.065 2.345 -10.016 1.00 0.00 H new ATOM 356 N LYS A 26 10.862 3.638 -7.475 1.00 0.00 N ATOM 357 CA LYS A 26 10.217 2.931 -6.381 1.00 0.00 C ATOM 358 C LYS A 26 8.704 2.919 -6.608 1.00 0.00 C ATOM 359 O LYS A 26 8.092 1.854 -6.676 1.00 0.00 O ATOM 360 CB LYS A 26 10.632 3.533 -5.037 1.00 0.00 C ATOM 361 CG LYS A 26 12.129 3.340 -4.788 1.00 0.00 C ATOM 362 CD LYS A 26 12.673 4.421 -3.852 1.00 0.00 C ATOM 363 CE LYS A 26 14.180 4.258 -3.643 1.00 0.00 C ATOM 364 NZ LYS A 26 14.772 5.515 -3.133 1.00 0.00 N ATOM 0 H LYS A 26 11.538 4.345 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 26 10.544 1.891 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.391 4.596 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.063 3.065 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.305 2.356 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.666 3.371 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.465 5.406 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.161 4.366 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.370 3.448 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.656 3.981 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.795 5.387 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.607 6.280 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.330 5.763 -2.225 1.00 0.00 H new ATOM 378 N GLN A 27 8.145 4.115 -6.720 1.00 0.00 N ATOM 379 CA GLN A 27 6.715 4.255 -6.939 1.00 0.00 C ATOM 380 C GLN A 27 6.244 3.273 -8.013 1.00 0.00 C ATOM 381 O GLN A 27 5.170 2.686 -7.894 1.00 0.00 O ATOM 382 CB GLN A 27 6.357 5.694 -7.316 1.00 0.00 C ATOM 383 CG GLN A 27 6.367 6.602 -6.084 1.00 0.00 C ATOM 384 CD GLN A 27 6.413 8.076 -6.490 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.022 8.908 -5.838 1.00 0.00 O ATOM 386 NE2 GLN A 27 5.736 8.352 -7.602 1.00 0.00 N ATOM 0 H GLN A 27 8.656 4.996 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 27 6.199 4.019 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.067 6.068 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.372 5.717 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.478 6.414 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.229 6.366 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.248 7.608 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.705 9.308 -7.956 1.00 0.00 H new ATOM 395 N GLN A 28 7.070 3.125 -9.038 1.00 0.00 N ATOM 396 CA GLN A 28 6.751 2.225 -10.133 1.00 0.00 C ATOM 397 C GLN A 28 6.830 0.770 -9.664 1.00 0.00 C ATOM 398 O GLN A 28 5.814 0.081 -9.594 1.00 0.00 O ATOM 399 CB GLN A 28 7.675 2.466 -11.328 1.00 0.00 C ATOM 400 CG GLN A 28 7.460 3.863 -11.914 1.00 0.00 C ATOM 401 CD GLN A 28 8.794 4.579 -12.129 1.00 0.00 C ATOM 402 OE1 GLN A 28 8.973 5.733 -11.773 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.718 3.834 -12.728 1.00 0.00 N ATOM 0 H GLN A 28 7.960 3.614 -9.133 1.00 0.00 H new ATOM 0 HA GLN A 28 5.730 2.427 -10.458 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.714 2.354 -11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.488 1.714 -12.094 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.928 3.785 -12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.832 4.450 -11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.502 2.875 -13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.643 4.222 -12.915 1.00 0.00 H new ATOM 412 N ASP A 29 8.047 0.347 -9.355 1.00 0.00 N ATOM 413 CA ASP A 29 8.272 -1.013 -8.895 1.00 0.00 C ATOM 414 C ASP A 29 7.107 -1.443 -8.000 1.00 0.00 C ATOM 415 O ASP A 29 6.719 -2.610 -7.999 1.00 0.00 O ATOM 416 CB ASP A 29 9.559 -1.111 -8.074 1.00 0.00 C ATOM 417 CG ASP A 29 10.525 -2.213 -8.515 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.021 -3.297 -8.878 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.746 -1.946 -8.479 1.00 0.00 O ATOM 0 H ASP A 29 8.887 0.922 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 29 8.353 -1.656 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.077 -0.153 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.294 -1.277 -7.030 1.00 0.00 H new ATOM 424 N VAL A 30 6.583 -0.477 -7.261 1.00 0.00 N ATOM 425 CA VAL A 30 5.470 -0.741 -6.364 1.00 0.00 C ATOM 426 C VAL A 30 4.255 -1.181 -7.182 1.00 0.00 C ATOM 427 O VAL A 30 4.046 -2.374 -7.398 1.00 0.00 O ATOM 428 CB VAL A 30 5.194 0.489 -5.497 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.925 0.298 -4.664 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.393 0.810 -4.603 1.00 0.00 C ATOM 0 H VAL A 30 6.908 0.490 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 30 5.714 -1.555 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 30 5.035 1.338 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.751 1.186 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.075 0.140 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.044 -0.569 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.170 1.688 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.598 -0.039 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.267 1.009 -5.224 1.00 0.00 H new ATOM 440 N VAL A 31 3.485 -0.194 -7.616 1.00 0.00 N ATOM 441 CA VAL A 31 2.295 -0.464 -8.406 1.00 0.00 C ATOM 442 C VAL A 31 2.593 -1.590 -9.399 1.00 0.00 C ATOM 443 O VAL A 31 1.848 -2.565 -9.478 1.00 0.00 O ATOM 444 CB VAL A 31 1.814 0.820 -9.084 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.977 1.787 -9.314 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.092 0.509 -10.397 1.00 0.00 C ATOM 0 H VAL A 31 3.662 0.794 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 31 1.480 -0.802 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 31 1.102 1.305 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.608 2.692 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.430 2.046 -8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.723 1.313 -9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.760 1.439 -10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.773 -0.009 -11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.228 -0.125 -10.196 1.00 0.00 H new ATOM 456 N ARG A 32 3.683 -1.417 -10.131 1.00 0.00 N ATOM 457 CA ARG A 32 4.088 -2.406 -11.116 1.00 0.00 C ATOM 458 C ARG A 32 3.848 -3.818 -10.579 1.00 0.00 C ATOM 459 O ARG A 32 3.178 -4.625 -11.222 1.00 0.00 O ATOM 460 CB ARG A 32 5.567 -2.249 -11.478 1.00 0.00 C ATOM 461 CG ARG A 32 5.803 -0.966 -12.276 1.00 0.00 C ATOM 462 CD ARG A 32 5.940 -1.267 -13.770 1.00 0.00 C ATOM 463 NE ARG A 32 6.084 -0.005 -14.530 1.00 0.00 N ATOM 464 CZ ARG A 32 5.077 0.844 -14.773 1.00 0.00 C ATOM 465 NH1 ARG A 32 3.846 0.572 -14.318 1.00 0.00 N ATOM 466 NH2 ARG A 32 5.300 1.966 -15.471 1.00 0.00 N ATOM 0 H ARG A 32 4.299 -0.607 -10.062 1.00 0.00 H new ATOM 0 HA ARG A 32 3.488 -2.248 -12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.168 -2.232 -10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.896 -3.110 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.975 -0.276 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.705 -0.471 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.806 -1.906 -13.943 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.065 -1.814 -14.121 1.00 0.00 H new ATOM 0 HE ARG A 32 7.008 0.233 -14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.676 -0.282 -13.786 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.079 1.219 -14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.237 2.174 -15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.533 2.612 -15.656 1.00 0.00 H new ATOM 480 N PHE A 33 4.409 -4.074 -9.406 1.00 0.00 N ATOM 481 CA PHE A 33 4.265 -5.375 -8.776 1.00 0.00 C ATOM 482 C PHE A 33 2.790 -5.709 -8.539 1.00 0.00 C ATOM 483 O PHE A 33 2.379 -6.859 -8.691 1.00 0.00 O ATOM 484 CB PHE A 33 4.981 -5.300 -7.426 1.00 0.00 C ATOM 485 CG PHE A 33 5.137 -6.653 -6.728 1.00 0.00 C ATOM 486 CD1 PHE A 33 4.107 -7.169 -6.006 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.307 -7.340 -6.831 1.00 0.00 C ATOM 488 CE1 PHE A 33 4.252 -8.424 -5.359 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.452 -8.595 -6.183 1.00 0.00 C ATOM 490 CZ PHE A 33 5.421 -9.111 -5.461 1.00 0.00 C ATOM 0 H PHE A 33 4.964 -3.402 -8.876 1.00 0.00 H new ATOM 0 HA PHE A 33 4.687 -6.148 -9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.969 -4.863 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.429 -4.626 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.178 -6.624 -5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.125 -6.931 -7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.434 -8.833 -4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.381 -9.140 -6.263 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.531 -10.066 -4.969 1.00 0.00 H new ATOM 500 N LEU A 34 2.036 -4.684 -8.172 1.00 0.00 N ATOM 501 CA LEU A 34 0.616 -4.854 -7.914 1.00 0.00 C ATOM 502 C LEU A 34 -0.112 -5.109 -9.235 1.00 0.00 C ATOM 503 O LEU A 34 -0.943 -6.012 -9.326 1.00 0.00 O ATOM 504 CB LEU A 34 0.067 -3.661 -7.130 1.00 0.00 C ATOM 505 CG LEU A 34 0.832 -3.284 -5.859 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.595 -1.818 -5.491 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.480 -4.228 -4.707 1.00 0.00 C ATOM 0 H LEU A 34 2.381 -3.732 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 34 0.446 -5.726 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.050 -2.794 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.967 -3.875 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 34 1.898 -3.399 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.150 -1.576 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.935 -1.179 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.469 -1.653 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.037 -3.938 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.589 -4.169 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.741 -5.250 -4.982 1.00 0.00 H new ATOM 519 N GLU A 35 0.227 -4.298 -10.226 1.00 0.00 N ATOM 520 CA GLU A 35 -0.384 -4.424 -11.539 1.00 0.00 C ATOM 521 C GLU A 35 -0.075 -5.798 -12.138 1.00 0.00 C ATOM 522 O GLU A 35 -0.978 -6.496 -12.597 1.00 0.00 O ATOM 523 CB GLU A 35 0.081 -3.303 -12.470 1.00 0.00 C ATOM 524 CG GLU A 35 -0.639 -1.991 -12.151 1.00 0.00 C ATOM 525 CD GLU A 35 -2.090 -2.030 -12.634 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.302 -2.548 -13.752 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.955 -1.542 -11.875 1.00 0.00 O ATOM 0 H GLU A 35 0.917 -3.551 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.464 -4.333 -11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.158 -3.165 -12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.109 -3.584 -13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.615 -1.811 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.116 -1.161 -12.626 1.00 0.00 H new ATOM 534 N ALA A 36 1.203 -6.145 -12.114 1.00 0.00 N ATOM 535 CA ALA A 36 1.642 -7.423 -12.649 1.00 0.00 C ATOM 536 C ALA A 36 0.955 -8.555 -11.882 1.00 0.00 C ATOM 537 O ALA A 36 0.756 -9.642 -12.421 1.00 0.00 O ATOM 538 CB ALA A 36 3.168 -7.510 -12.575 1.00 0.00 C ATOM 0 H ALA A 36 1.949 -5.563 -11.732 1.00 0.00 H new ATOM 0 HA ALA A 36 1.361 -7.518 -13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.498 -8.468 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.607 -6.702 -13.159 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.488 -7.422 -11.537 1.00 0.00 H new ATOM 544 N ASN A 37 0.612 -8.260 -10.637 1.00 0.00 N ATOM 545 CA ASN A 37 -0.048 -9.240 -9.791 1.00 0.00 C ATOM 546 C ASN A 37 -1.531 -8.885 -9.669 1.00 0.00 C ATOM 547 O ASN A 37 -2.241 -9.447 -8.837 1.00 0.00 O ATOM 548 CB ASN A 37 0.553 -9.247 -8.384 1.00 0.00 C ATOM 549 CG ASN A 37 1.865 -10.034 -8.352 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.888 -11.250 -8.258 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.954 -9.274 -8.436 1.00 0.00 N ATOM 0 H ASN A 37 0.779 -7.357 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 37 0.085 -10.222 -10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.731 -8.223 -8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.157 -9.688 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.879 -9.705 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.864 -8.261 -8.513 1.00 0.00 H new ATOM 558 N LYS A 38 -1.955 -7.954 -10.511 1.00 0.00 N ATOM 559 CA LYS A 38 -3.341 -7.518 -10.508 1.00 0.00 C ATOM 560 C LYS A 38 -3.843 -7.435 -9.065 1.00 0.00 C ATOM 561 O LYS A 38 -4.879 -8.007 -8.731 1.00 0.00 O ATOM 562 CB LYS A 38 -4.190 -8.423 -11.403 1.00 0.00 C ATOM 563 CG LYS A 38 -3.973 -8.091 -12.881 1.00 0.00 C ATOM 564 CD LYS A 38 -4.896 -6.956 -13.330 1.00 0.00 C ATOM 565 CE LYS A 38 -5.811 -7.411 -14.469 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.318 -6.243 -15.224 1.00 0.00 N ATOM 0 H LYS A 38 -1.363 -7.490 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.426 -6.518 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.933 -9.466 -11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.244 -8.305 -11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.934 -7.805 -13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.159 -8.977 -13.488 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.499 -6.618 -12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.299 -6.105 -13.656 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.265 -8.075 -15.139 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.647 -7.982 -14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.937 -6.569 -15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.856 -5.624 -14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.517 -5.714 -15.625 1.00 0.00 H new ATOM 580 N ILE A 39 -3.083 -6.720 -8.248 1.00 0.00 N ATOM 581 CA ILE A 39 -3.437 -6.556 -6.849 1.00 0.00 C ATOM 582 C ILE A 39 -4.222 -5.254 -6.675 1.00 0.00 C ATOM 583 O ILE A 39 -4.089 -4.333 -7.480 1.00 0.00 O ATOM 584 CB ILE A 39 -2.191 -6.645 -5.966 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.658 -8.079 -5.913 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.466 -6.083 -4.570 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.350 -8.148 -5.122 1.00 0.00 C ATOM 0 H ILE A 39 -2.224 -6.248 -8.529 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.088 -7.368 -6.524 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.411 -6.028 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.401 -8.730 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.495 -8.448 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.564 -6.159 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.763 -5.037 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.268 -6.652 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.008 -9.177 -5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.398 -7.515 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.522 -7.801 -4.103 1.00 0.00 H new ATOM 599 N GLU A 40 -5.021 -5.218 -5.619 1.00 0.00 N ATOM 600 CA GLU A 40 -5.827 -4.044 -5.330 1.00 0.00 C ATOM 601 C GLU A 40 -4.940 -2.903 -4.829 1.00 0.00 C ATOM 602 O GLU A 40 -4.157 -3.083 -3.898 1.00 0.00 O ATOM 603 CB GLU A 40 -6.927 -4.370 -4.317 1.00 0.00 C ATOM 604 CG GLU A 40 -8.255 -4.653 -5.022 1.00 0.00 C ATOM 605 CD GLU A 40 -9.222 -5.390 -4.093 1.00 0.00 C ATOM 606 OE1 GLU A 40 -8.770 -6.372 -3.467 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.392 -4.954 -4.031 1.00 0.00 O ATOM 0 H GLU A 40 -5.128 -5.983 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.312 -3.723 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.635 -5.236 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.049 -3.536 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.704 -3.715 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.076 -5.251 -5.916 1.00 0.00 H new ATOM 614 N PHE A 41 -5.094 -1.752 -5.468 1.00 0.00 N ATOM 615 CA PHE A 41 -4.317 -0.581 -5.098 1.00 0.00 C ATOM 616 C PHE A 41 -4.703 0.626 -5.956 1.00 0.00 C ATOM 617 O PHE A 41 -5.525 0.509 -6.864 1.00 0.00 O ATOM 618 CB PHE A 41 -2.847 -0.922 -5.351 1.00 0.00 C ATOM 619 CG PHE A 41 -2.390 -0.677 -6.790 1.00 0.00 C ATOM 620 CD1 PHE A 41 -1.990 0.564 -7.175 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.383 -1.701 -7.685 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.566 0.792 -8.511 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.959 -1.474 -9.021 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.559 -0.233 -9.406 1.00 0.00 C ATOM 0 H PHE A 41 -5.745 -1.606 -6.239 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.502 -0.326 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.226 -0.330 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.679 -1.970 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.995 1.377 -6.464 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.700 -2.687 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.249 1.778 -8.817 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.954 -2.287 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.236 -0.061 -10.422 1.00 0.00 H new ATOM 634 N GLU A 42 -4.092 1.757 -5.637 1.00 0.00 N ATOM 635 CA GLU A 42 -4.361 2.984 -6.367 1.00 0.00 C ATOM 636 C GLU A 42 -3.201 3.968 -6.198 1.00 0.00 C ATOM 637 O GLU A 42 -2.552 3.994 -5.153 1.00 0.00 O ATOM 638 CB GLU A 42 -5.682 3.612 -5.916 1.00 0.00 C ATOM 639 CG GLU A 42 -5.623 4.014 -4.441 1.00 0.00 C ATOM 640 CD GLU A 42 -6.729 5.015 -4.102 1.00 0.00 C ATOM 641 OE1 GLU A 42 -7.909 4.625 -4.236 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.369 6.148 -3.715 1.00 0.00 O ATOM 0 H GLU A 42 -3.412 1.850 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.454 2.741 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.899 4.488 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.497 2.905 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.725 3.128 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.650 4.452 -4.218 1.00 0.00 H new ATOM 649 N GLU A 43 -2.976 4.753 -7.241 1.00 0.00 N ATOM 650 CA GLU A 43 -1.906 5.735 -7.221 1.00 0.00 C ATOM 651 C GLU A 43 -2.434 7.086 -6.733 1.00 0.00 C ATOM 652 O GLU A 43 -3.003 7.851 -7.511 1.00 0.00 O ATOM 653 CB GLU A 43 -1.256 5.866 -8.600 1.00 0.00 C ATOM 654 CG GLU A 43 -0.346 4.672 -8.893 1.00 0.00 C ATOM 655 CD GLU A 43 -0.618 4.105 -10.288 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.746 3.603 -10.487 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.307 4.186 -11.124 1.00 0.00 O ATOM 0 H GLU A 43 -3.517 4.729 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.139 5.394 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.029 5.935 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.678 6.789 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.697 4.978 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.505 3.896 -8.144 1.00 0.00 H new ATOM 664 N VAL A 44 -2.228 7.337 -5.449 1.00 0.00 N ATOM 665 CA VAL A 44 -2.676 8.582 -4.849 1.00 0.00 C ATOM 666 C VAL A 44 -1.637 9.674 -5.111 1.00 0.00 C ATOM 667 O VAL A 44 -0.604 9.725 -4.445 1.00 0.00 O ATOM 668 CB VAL A 44 -2.960 8.372 -3.360 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.222 9.707 -2.658 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.129 7.407 -3.155 1.00 0.00 C ATOM 0 H VAL A 44 -1.757 6.699 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.612 8.909 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.074 7.925 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.421 9.529 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.347 10.349 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.085 10.194 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.309 7.276 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.023 7.814 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.888 6.443 -3.604 1.00 0.00 H new ATOM 680 N ASP A 45 -1.946 10.519 -6.083 1.00 0.00 N ATOM 681 CA ASP A 45 -1.052 11.607 -6.442 1.00 0.00 C ATOM 682 C ASP A 45 -1.007 12.623 -5.299 1.00 0.00 C ATOM 683 O ASP A 45 -1.937 13.409 -5.126 1.00 0.00 O ATOM 684 CB ASP A 45 -1.540 12.330 -7.698 1.00 0.00 C ATOM 685 CG ASP A 45 -0.527 13.287 -8.329 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.253 13.880 -7.553 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.554 13.403 -9.573 1.00 0.00 O ATOM 0 H ASP A 45 -2.803 10.472 -6.634 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.065 11.184 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.824 11.584 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.441 12.891 -7.449 1.00 0.00 H new ATOM 692 N ILE A 46 0.083 12.574 -4.548 1.00 0.00 N ATOM 693 CA ILE A 46 0.261 13.480 -3.426 1.00 0.00 C ATOM 694 C ILE A 46 0.814 14.813 -3.936 1.00 0.00 C ATOM 695 O ILE A 46 0.801 15.810 -3.216 1.00 0.00 O ATOM 696 CB ILE A 46 1.125 12.830 -2.344 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.583 12.722 -2.797 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.553 11.474 -1.926 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.460 12.140 -1.687 1.00 0.00 C ATOM 0 H ILE A 46 0.852 11.921 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.697 13.692 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 46 1.108 13.472 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.646 12.091 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.954 13.707 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.186 11.034 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.455 11.610 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.519 10.811 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.491 12.074 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.414 12.786 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.101 11.145 -1.424 1.00 0.00 H new ATOM 711 N THR A 47 1.285 14.787 -5.174 1.00 0.00 N ATOM 712 CA THR A 47 1.841 15.981 -5.788 1.00 0.00 C ATOM 713 C THR A 47 0.721 16.930 -6.218 1.00 0.00 C ATOM 714 O THR A 47 0.785 18.130 -5.957 1.00 0.00 O ATOM 715 CB THR A 47 2.742 15.542 -6.944 1.00 0.00 C ATOM 716 OG1 THR A 47 4.056 15.879 -6.507 1.00 0.00 O ATOM 717 CG2 THR A 47 2.538 16.390 -8.201 1.00 0.00 C ATOM 0 H THR A 47 1.293 13.958 -5.769 1.00 0.00 H new ATOM 0 HA THR A 47 2.448 16.544 -5.079 1.00 0.00 H new ATOM 0 HB THR A 47 2.548 14.495 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.213 16.836 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.201 16.036 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.503 16.306 -8.532 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.764 17.433 -7.977 1.00 0.00 H new ATOM 725 N MET A 48 -0.280 16.357 -6.871 1.00 0.00 N ATOM 726 CA MET A 48 -1.412 17.137 -7.340 1.00 0.00 C ATOM 727 C MET A 48 -2.335 17.516 -6.179 1.00 0.00 C ATOM 728 O MET A 48 -2.711 18.678 -6.034 1.00 0.00 O ATOM 729 CB MET A 48 -2.198 16.327 -8.373 1.00 0.00 C ATOM 730 CG MET A 48 -1.436 16.243 -9.697 1.00 0.00 C ATOM 731 SD MET A 48 -1.484 17.820 -10.531 1.00 0.00 S ATOM 732 CE MET A 48 0.196 17.908 -11.128 1.00 0.00 C ATOM 0 H MET A 48 -0.330 15.361 -7.086 1.00 0.00 H new ATOM 0 HA MET A 48 -1.035 18.053 -7.794 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.382 15.323 -7.990 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.172 16.788 -8.538 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.402 15.951 -9.513 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.876 15.474 -10.331 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.339 18.839 -11.676 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.884 17.875 -10.284 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.392 17.064 -11.789 1.00 0.00 H new ATOM 742 N SER A 49 -2.673 16.513 -5.382 1.00 0.00 N ATOM 743 CA SER A 49 -3.544 16.726 -4.239 1.00 0.00 C ATOM 744 C SER A 49 -2.708 16.925 -2.974 1.00 0.00 C ATOM 745 O SER A 49 -2.203 15.961 -2.401 1.00 0.00 O ATOM 746 CB SER A 49 -4.511 15.554 -4.057 1.00 0.00 C ATOM 747 OG SER A 49 -5.393 15.412 -5.167 1.00 0.00 O ATOM 0 H SER A 49 -2.359 15.550 -5.505 1.00 0.00 H new ATOM 0 HA SER A 49 -4.134 17.624 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.943 14.633 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.094 15.703 -3.148 1.00 0.00 H new ATOM 0 HG SER A 49 -5.993 14.652 -5.013 1.00 0.00 H new ATOM 753 N GLU A 50 -2.588 18.183 -2.574 1.00 0.00 N ATOM 754 CA GLU A 50 -1.822 18.521 -1.387 1.00 0.00 C ATOM 755 C GLU A 50 -2.335 17.731 -0.181 1.00 0.00 C ATOM 756 O GLU A 50 -1.559 17.073 0.510 1.00 0.00 O ATOM 757 CB GLU A 50 -1.867 20.026 -1.116 1.00 0.00 C ATOM 758 CG GLU A 50 -0.722 20.452 -0.194 1.00 0.00 C ATOM 759 CD GLU A 50 0.452 21.012 -1.000 1.00 0.00 C ATOM 760 OE1 GLU A 50 1.100 20.202 -1.696 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.673 22.239 -0.902 1.00 0.00 O ATOM 0 H GLU A 50 -3.009 18.980 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.781 18.247 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.802 20.571 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.822 20.289 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.077 21.206 0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.388 19.598 0.396 1.00 0.00 H new ATOM 768 N GLU A 51 -3.639 17.823 0.035 1.00 0.00 N ATOM 769 CA GLU A 51 -4.264 17.125 1.145 1.00 0.00 C ATOM 770 C GLU A 51 -3.706 15.706 1.262 1.00 0.00 C ATOM 771 O GLU A 51 -3.125 15.346 2.285 1.00 0.00 O ATOM 772 CB GLU A 51 -5.786 17.105 0.992 1.00 0.00 C ATOM 773 CG GLU A 51 -6.474 17.505 2.299 1.00 0.00 C ATOM 774 CD GLU A 51 -6.652 19.023 2.382 1.00 0.00 C ATOM 775 OE1 GLU A 51 -5.617 19.707 2.535 1.00 0.00 O ATOM 776 OE2 GLU A 51 -7.818 19.463 2.291 1.00 0.00 O ATOM 0 H GLU A 51 -4.280 18.370 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.031 17.662 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.084 17.788 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.112 16.108 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.446 17.017 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.883 17.158 3.146 1.00 0.00 H new ATOM 783 N GLN A 52 -3.901 14.938 0.200 1.00 0.00 N ATOM 784 CA GLN A 52 -3.425 13.565 0.171 1.00 0.00 C ATOM 785 C GLN A 52 -2.049 13.467 0.834 1.00 0.00 C ATOM 786 O GLN A 52 -1.836 12.630 1.709 1.00 0.00 O ATOM 787 CB GLN A 52 -3.383 13.030 -1.261 1.00 0.00 C ATOM 788 CG GLN A 52 -4.788 12.965 -1.864 1.00 0.00 C ATOM 789 CD GLN A 52 -5.514 11.692 -1.424 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.122 11.014 -0.489 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.592 11.407 -2.149 1.00 0.00 N ATOM 0 H GLN A 52 -4.382 15.240 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.123 12.946 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.750 13.671 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.934 12.037 -1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.361 13.840 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.723 12.993 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.865 12.018 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.146 10.578 -1.935 1.00 0.00 H new ATOM 800 N ARG A 53 -1.151 14.335 0.391 1.00 0.00 N ATOM 801 CA ARG A 53 0.198 14.357 0.930 1.00 0.00 C ATOM 802 C ARG A 53 0.167 14.666 2.428 1.00 0.00 C ATOM 803 O ARG A 53 0.669 13.887 3.236 1.00 0.00 O ATOM 804 CB ARG A 53 1.059 15.403 0.218 1.00 0.00 C ATOM 805 CG ARG A 53 2.547 15.157 0.477 1.00 0.00 C ATOM 806 CD ARG A 53 3.411 16.137 -0.319 1.00 0.00 C ATOM 807 NE ARG A 53 4.068 17.094 0.599 1.00 0.00 N ATOM 808 CZ ARG A 53 5.030 17.950 0.228 1.00 0.00 C ATOM 809 NH1 ARG A 53 5.453 17.974 -1.043 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.569 18.783 1.130 1.00 0.00 N ATOM 0 H ARG A 53 -1.331 15.028 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 53 0.635 13.372 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.863 15.372 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.786 16.400 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.757 15.263 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.804 14.134 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.164 15.591 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.795 16.676 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 53 3.770 17.103 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.043 17.340 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.185 18.626 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.247 18.765 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.301 19.435 0.849 1.00 0.00 H new ATOM 824 N GLN A 54 -0.429 15.804 2.752 1.00 0.00 N ATOM 825 CA GLN A 54 -0.533 16.225 4.139 1.00 0.00 C ATOM 826 C GLN A 54 -0.963 15.051 5.020 1.00 0.00 C ATOM 827 O GLN A 54 -0.386 14.823 6.082 1.00 0.00 O ATOM 828 CB GLN A 54 -1.501 17.402 4.283 1.00 0.00 C ATOM 829 CG GLN A 54 -0.824 18.719 3.897 1.00 0.00 C ATOM 830 CD GLN A 54 0.462 18.930 4.699 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.448 19.126 5.903 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.571 18.880 3.966 1.00 0.00 N ATOM 0 H GLN A 54 -0.845 16.447 2.078 1.00 0.00 H new ATOM 0 HA GLN A 54 0.449 16.561 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.374 17.239 3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.858 17.460 5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.596 18.716 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.508 19.549 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.511 18.712 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.481 19.010 4.408 1.00 0.00 H new ATOM 841 N TRP A 55 -1.973 14.336 4.546 1.00 0.00 N ATOM 842 CA TRP A 55 -2.487 13.190 5.278 1.00 0.00 C ATOM 843 C TRP A 55 -1.315 12.253 5.572 1.00 0.00 C ATOM 844 O TRP A 55 -1.046 11.934 6.730 1.00 0.00 O ATOM 845 CB TRP A 55 -3.618 12.509 4.505 1.00 0.00 C ATOM 846 CG TRP A 55 -4.314 11.388 5.280 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.357 11.487 6.115 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.973 9.986 5.257 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.712 10.257 6.630 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.843 9.315 6.092 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.962 9.307 4.554 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.790 7.932 6.302 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.923 7.925 4.775 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.791 7.235 5.613 1.00 0.00 C ATOM 0 H TRP A 55 -2.449 14.528 3.665 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.928 13.503 6.224 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.358 13.259 4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.216 12.101 3.578 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.857 12.414 6.355 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.472 10.073 7.285 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.270 9.812 3.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.483 7.430 6.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.165 7.355 4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.695 6.166 5.732 1.00 0.00 H new ATOM 865 N MET A 56 -0.648 11.837 4.505 1.00 0.00 N ATOM 866 CA MET A 56 0.489 10.942 4.635 1.00 0.00 C ATOM 867 C MET A 56 1.464 11.446 5.701 1.00 0.00 C ATOM 868 O MET A 56 1.858 10.695 6.592 1.00 0.00 O ATOM 869 CB MET A 56 1.212 10.837 3.291 1.00 0.00 C ATOM 870 CG MET A 56 2.318 9.781 3.345 1.00 0.00 C ATOM 871 SD MET A 56 3.897 10.564 3.628 1.00 0.00 S ATOM 872 CE MET A 56 4.118 11.392 2.062 1.00 0.00 C ATOM 0 H MET A 56 -0.874 12.103 3.547 1.00 0.00 H new ATOM 0 HA MET A 56 0.123 9.961 4.939 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.498 10.581 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.640 11.804 3.028 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.110 9.065 4.140 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.343 9.221 2.410 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.148 11.738 1.975 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.898 10.699 1.250 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.443 12.245 2.003 1.00 0.00 H new ATOM 882 N TYR A 57 1.826 12.715 5.575 1.00 0.00 N ATOM 883 CA TYR A 57 2.747 13.328 6.516 1.00 0.00 C ATOM 884 C TYR A 57 2.253 13.161 7.955 1.00 0.00 C ATOM 885 O TYR A 57 3.020 13.330 8.902 1.00 0.00 O ATOM 886 CB TYR A 57 2.776 14.817 6.169 1.00 0.00 C ATOM 887 CG TYR A 57 3.720 15.170 5.018 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.787 14.355 3.906 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.505 16.303 5.091 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.676 14.686 2.823 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.393 16.634 4.007 1.00 0.00 C ATOM 892 CZ TYR A 57 5.435 15.810 2.927 1.00 0.00 C ATOM 893 OH TYR A 57 6.274 16.123 1.903 1.00 0.00 O ATOM 0 H TYR A 57 1.497 13.335 4.835 1.00 0.00 H new ATOM 0 HA TYR A 57 3.731 12.864 6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.767 15.139 5.910 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.072 15.380 7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.172 13.469 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.453 16.941 5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.739 14.056 1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.012 17.518 4.051 1.00 0.00 H new ATOM 0 HH TYR A 57 6.198 15.445 1.199 1.00 0.00 H new ATOM 903 N LYS A 58 0.975 12.832 8.073 1.00 0.00 N ATOM 904 CA LYS A 58 0.369 12.641 9.380 1.00 0.00 C ATOM 905 C LYS A 58 0.292 11.144 9.687 1.00 0.00 C ATOM 906 O LYS A 58 0.079 10.752 10.833 1.00 0.00 O ATOM 907 CB LYS A 58 -0.982 13.355 9.454 1.00 0.00 C ATOM 908 CG LYS A 58 -0.825 14.853 9.189 1.00 0.00 C ATOM 909 CD LYS A 58 -1.675 15.674 10.161 1.00 0.00 C ATOM 910 CE LYS A 58 -2.030 17.037 9.563 1.00 0.00 C ATOM 911 NZ LYS A 58 -3.460 17.345 9.789 1.00 0.00 N ATOM 0 H LYS A 58 0.342 12.693 7.285 1.00 0.00 H new ATOM 0 HA LYS A 58 0.985 13.095 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.666 12.923 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.426 13.201 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.223 15.136 9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.120 15.077 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.588 15.129 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.132 15.813 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.409 17.811 10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.816 17.039 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.684 18.273 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.048 16.615 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.654 17.364 10.811 1.00 0.00 H new ATOM 925 N ASN A 59 0.468 10.348 8.643 1.00 0.00 N ATOM 926 CA ASN A 59 0.421 8.903 8.786 1.00 0.00 C ATOM 927 C ASN A 59 1.818 8.325 8.555 1.00 0.00 C ATOM 928 O ASN A 59 1.961 7.244 7.985 1.00 0.00 O ATOM 929 CB ASN A 59 -0.525 8.278 7.759 1.00 0.00 C ATOM 930 CG ASN A 59 -1.960 8.769 7.964 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.903 7.998 8.034 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.071 10.091 8.058 1.00 0.00 N ATOM 0 H ASN A 59 0.644 10.677 7.694 1.00 0.00 H new ATOM 0 HA ASN A 59 0.064 8.676 9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.191 8.529 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.493 7.192 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.987 10.517 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.240 10.679 7.991 1.00 0.00 H new ATOM 939 N VAL A 60 2.815 9.072 9.008 1.00 0.00 N ATOM 940 CA VAL A 60 4.196 8.648 8.857 1.00 0.00 C ATOM 941 C VAL A 60 5.053 9.323 9.930 1.00 0.00 C ATOM 942 O VAL A 60 5.192 10.545 9.940 1.00 0.00 O ATOM 943 CB VAL A 60 4.681 8.938 7.435 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.141 8.516 7.256 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.783 8.258 6.400 1.00 0.00 C ATOM 0 H VAL A 60 2.693 9.968 9.480 1.00 0.00 H new ATOM 0 HA VAL A 60 4.282 7.571 9.002 1.00 0.00 H new ATOM 0 HB VAL A 60 4.622 10.014 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.460 8.733 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.768 9.067 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.237 7.447 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.150 8.480 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.795 7.180 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.763 8.629 6.504 1.00 0.00 H new ATOM 955 N PRO A 61 5.619 8.476 10.831 1.00 0.00 N ATOM 956 CA PRO A 61 6.458 8.978 11.905 1.00 0.00 C ATOM 957 C PRO A 61 7.834 9.393 11.379 1.00 0.00 C ATOM 958 O PRO A 61 8.165 9.132 10.224 1.00 0.00 O ATOM 959 CB PRO A 61 6.526 7.844 12.914 1.00 0.00 C ATOM 960 CG PRO A 61 6.112 6.590 12.161 1.00 0.00 C ATOM 961 CD PRO A 61 5.476 7.023 10.850 1.00 0.00 C ATOM 0 HA PRO A 61 6.056 9.880 12.366 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.533 7.742 13.319 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.861 8.031 13.757 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.977 5.954 11.974 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.408 6.005 12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.976 6.565 9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.428 6.728 10.802 1.00 0.00 H new ATOM 969 N PRO A 62 8.618 10.051 12.275 1.00 0.00 N ATOM 970 CA PRO A 62 9.949 10.505 11.913 1.00 0.00 C ATOM 971 C PRO A 62 10.932 9.333 11.859 1.00 0.00 C ATOM 972 O PRO A 62 11.898 9.363 11.098 1.00 0.00 O ATOM 973 CB PRO A 62 10.313 11.538 12.967 1.00 0.00 C ATOM 974 CG PRO A 62 9.374 11.288 14.136 1.00 0.00 C ATOM 975 CD PRO A 62 8.258 10.378 13.652 1.00 0.00 C ATOM 0 HA PRO A 62 9.987 10.943 10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.354 11.434 13.273 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.194 12.550 12.580 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.911 10.826 14.965 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.966 12.229 14.506 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.184 9.480 14.266 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.290 10.878 13.701 1.00 0.00 H new ATOM 983 N GLU A 63 10.652 8.329 12.678 1.00 0.00 N ATOM 984 CA GLU A 63 11.499 7.150 12.734 1.00 0.00 C ATOM 985 C GLU A 63 11.415 6.373 11.418 1.00 0.00 C ATOM 986 O GLU A 63 12.379 5.727 11.012 1.00 0.00 O ATOM 987 CB GLU A 63 11.124 6.261 13.921 1.00 0.00 C ATOM 988 CG GLU A 63 9.605 6.174 14.082 1.00 0.00 C ATOM 989 CD GLU A 63 9.208 4.913 14.853 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.180 4.996 16.100 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.940 3.896 14.178 1.00 0.00 O ATOM 0 H GLU A 63 9.850 8.308 13.308 1.00 0.00 H new ATOM 0 HA GLU A 63 12.530 7.474 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.536 5.262 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.568 6.660 14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.240 7.056 14.608 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.131 6.169 13.100 1.00 0.00 H new ATOM 998 N LYS A 64 10.253 6.463 10.789 1.00 0.00 N ATOM 999 CA LYS A 64 10.030 5.776 9.528 1.00 0.00 C ATOM 1000 C LYS A 64 10.452 6.688 8.374 1.00 0.00 C ATOM 1001 O LYS A 64 10.884 6.210 7.326 1.00 0.00 O ATOM 1002 CB LYS A 64 8.582 5.291 9.430 1.00 0.00 C ATOM 1003 CG LYS A 64 8.268 4.277 10.532 1.00 0.00 C ATOM 1004 CD LYS A 64 8.946 2.935 10.250 1.00 0.00 C ATOM 1005 CE LYS A 64 8.429 1.850 11.197 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.542 1.276 11.985 1.00 0.00 N ATOM 0 H LYS A 64 9.456 7.001 11.129 1.00 0.00 H new ATOM 0 HA LYS A 64 10.647 4.879 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.904 6.141 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.412 4.837 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.605 4.664 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.190 4.136 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.761 2.640 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.025 3.038 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.680 2.271 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.938 1.063 10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.173 0.541 12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.243 0.856 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.993 2.026 12.546 1.00 0.00 H new ATOM 1020 N LYS A 65 10.312 7.985 8.605 1.00 0.00 N ATOM 1021 CA LYS A 65 10.673 8.968 7.598 1.00 0.00 C ATOM 1022 C LYS A 65 11.950 8.517 6.886 1.00 0.00 C ATOM 1023 O LYS A 65 12.966 8.259 7.530 1.00 0.00 O ATOM 1024 CB LYS A 65 10.777 10.361 8.222 1.00 0.00 C ATOM 1025 CG LYS A 65 9.439 11.100 8.140 1.00 0.00 C ATOM 1026 CD LYS A 65 9.510 12.445 8.867 1.00 0.00 C ATOM 1027 CE LYS A 65 8.251 12.683 9.703 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.216 14.076 10.201 1.00 0.00 N ATOM 0 H LYS A 65 9.953 8.378 9.475 1.00 0.00 H new ATOM 0 HA LYS A 65 9.893 9.041 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.086 10.275 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.547 10.937 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.172 11.261 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.653 10.486 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.389 12.468 9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.626 13.249 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.364 12.483 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.229 11.989 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.355 14.221 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.053 14.254 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.215 14.733 9.395 1.00 0.00 H new ATOM 1042 N PRO A 66 11.854 8.433 5.532 1.00 0.00 N ATOM 1043 CA PRO A 66 12.989 8.018 4.726 1.00 0.00 C ATOM 1044 C PRO A 66 14.025 9.139 4.618 1.00 0.00 C ATOM 1045 O PRO A 66 13.782 10.258 5.066 1.00 0.00 O ATOM 1046 CB PRO A 66 12.395 7.627 3.382 1.00 0.00 C ATOM 1047 CG PRO A 66 11.020 8.274 3.330 1.00 0.00 C ATOM 1048 CD PRO A 66 10.667 8.731 4.736 1.00 0.00 C ATOM 0 HA PRO A 66 13.533 7.182 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.022 7.976 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.321 6.544 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.022 9.120 2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.278 7.565 2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.432 9.795 4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.793 8.203 5.116 1.00 0.00 H new ATOM 1094 N ASN A 70 10.556 15.477 5.985 1.00 0.00 N ATOM 1095 CA ASN A 70 9.212 15.000 5.707 1.00 0.00 C ATOM 1096 C ASN A 70 9.292 13.643 5.004 1.00 0.00 C ATOM 1097 O ASN A 70 10.314 13.310 4.406 1.00 0.00 O ATOM 1098 CB ASN A 70 8.464 15.966 4.786 1.00 0.00 C ATOM 1099 CG ASN A 70 8.623 17.411 5.262 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.864 17.686 6.426 1.00 0.00 O ATOM 1101 ND2 ASN A 70 8.476 18.317 4.299 1.00 0.00 N ATOM 0 HA ASN A 70 8.680 14.921 6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.843 15.871 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.407 15.703 4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.564 19.310 4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.275 18.019 3.345 1.00 0.00 H new ATOM 1108 N PRO A 71 8.172 12.878 5.103 1.00 0.00 N ATOM 1109 CA PRO A 71 8.106 11.565 4.483 1.00 0.00 C ATOM 1110 C PRO A 71 7.935 11.682 2.967 1.00 0.00 C ATOM 1111 O PRO A 71 7.110 12.459 2.490 1.00 0.00 O ATOM 1112 CB PRO A 71 6.938 10.869 5.161 1.00 0.00 C ATOM 1113 CG PRO A 71 6.107 11.972 5.797 1.00 0.00 C ATOM 1114 CD PRO A 71 6.944 13.240 5.803 1.00 0.00 C ATOM 0 HA PRO A 71 9.024 10.992 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.349 10.303 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.288 10.161 5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.184 12.126 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.822 11.698 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.428 14.057 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.152 13.572 6.820 1.00 0.00 H new ATOM 1122 N LEU A 72 8.729 10.898 2.252 1.00 0.00 N ATOM 1123 CA LEU A 72 8.675 10.903 0.800 1.00 0.00 C ATOM 1124 C LEU A 72 8.126 9.563 0.309 1.00 0.00 C ATOM 1125 O LEU A 72 8.175 8.566 1.029 1.00 0.00 O ATOM 1126 CB LEU A 72 10.044 11.259 0.215 1.00 0.00 C ATOM 1127 CG LEU A 72 10.587 12.643 0.573 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.092 12.728 0.307 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.813 13.742 -0.158 1.00 0.00 C ATOM 0 H LEU A 72 9.413 10.255 2.651 1.00 0.00 H new ATOM 0 HA LEU A 72 7.992 11.675 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.764 10.511 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.984 11.184 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 72 10.439 12.801 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.452 13.723 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.611 11.983 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.286 12.539 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.219 14.716 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.906 13.598 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.761 13.696 0.125 1.00 0.00 H new ATOM 1141 N PRO A 73 7.601 9.581 -0.945 1.00 0.00 N ATOM 1142 CA PRO A 73 7.043 8.379 -1.541 1.00 0.00 C ATOM 1143 C PRO A 73 8.151 7.420 -1.982 1.00 0.00 C ATOM 1144 O PRO A 73 9.324 7.789 -2.003 1.00 0.00 O ATOM 1145 CB PRO A 73 6.191 8.873 -2.699 1.00 0.00 C ATOM 1146 CG PRO A 73 6.669 10.285 -2.996 1.00 0.00 C ATOM 1147 CD PRO A 73 7.526 10.743 -1.827 1.00 0.00 C ATOM 0 HA PRO A 73 6.442 7.802 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.307 8.230 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.133 8.866 -2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.244 10.307 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.820 10.955 -3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.517 11.052 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.079 11.598 -1.319 1.00 0.00 H new ATOM 1155 N PRO A 74 7.729 6.176 -2.331 1.00 0.00 N ATOM 1156 CA PRO A 74 6.321 5.821 -2.277 1.00 0.00 C ATOM 1157 C PRO A 74 5.864 5.608 -0.832 1.00 0.00 C ATOM 1158 O PRO A 74 6.682 5.351 0.050 1.00 0.00 O ATOM 1159 CB PRO A 74 6.198 4.568 -3.129 1.00 0.00 C ATOM 1160 CG PRO A 74 7.604 4.004 -3.247 1.00 0.00 C ATOM 1161 CD PRO A 74 8.577 5.078 -2.785 1.00 0.00 C ATOM 0 HA PRO A 74 5.673 6.611 -2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.525 3.846 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.788 4.802 -4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.708 3.107 -2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.815 3.715 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.217 4.713 -1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.233 5.394 -3.596 1.00 0.00 H new ATOM 1169 N GLN A 75 4.559 5.723 -0.635 1.00 0.00 N ATOM 1170 CA GLN A 75 3.984 5.547 0.688 1.00 0.00 C ATOM 1171 C GLN A 75 2.687 4.739 0.599 1.00 0.00 C ATOM 1172 O GLN A 75 1.597 5.310 0.571 1.00 0.00 O ATOM 1173 CB GLN A 75 3.744 6.897 1.366 1.00 0.00 C ATOM 1174 CG GLN A 75 5.042 7.453 1.954 1.00 0.00 C ATOM 1175 CD GLN A 75 5.500 6.623 3.155 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.809 5.738 3.631 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.702 6.957 3.616 1.00 0.00 N ATOM 0 H GLN A 75 3.883 5.936 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 75 4.694 4.992 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.336 7.604 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.001 6.784 2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.820 7.454 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.893 8.489 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.228 7.709 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.098 6.462 4.415 1.00 0.00 H new ATOM 1186 N ILE A 76 2.847 3.425 0.558 1.00 0.00 N ATOM 1187 CA ILE A 76 1.703 2.534 0.473 1.00 0.00 C ATOM 1188 C ILE A 76 0.832 2.709 1.719 1.00 0.00 C ATOM 1189 O ILE A 76 1.341 2.995 2.802 1.00 0.00 O ATOM 1190 CB ILE A 76 2.162 1.093 0.242 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.942 0.970 -1.069 1.00 0.00 C ATOM 1192 CG2 ILE A 76 0.978 0.124 0.297 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.406 0.614 -0.804 1.00 0.00 C ATOM 0 H ILE A 76 3.752 2.956 0.582 1.00 0.00 H new ATOM 0 HA ILE A 76 1.085 2.789 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 76 2.841 0.818 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.486 0.205 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.886 1.909 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.332 -0.893 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.502 0.186 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.255 0.388 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.938 0.533 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.866 1.393 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.459 -0.338 -0.275 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.466 2.529 1.525 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.412 2.663 2.619 1.00 0.00 C ATOM 1207 C PHE A 77 -2.673 1.837 2.359 1.00 0.00 C ATOM 1208 O PHE A 77 -3.442 2.141 1.448 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.795 4.142 2.701 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.869 4.976 3.590 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.918 4.837 4.942 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.002 5.856 3.028 1.00 0.00 C ATOM 1213 CE1 PHE A 77 -0.059 5.610 5.766 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.861 6.630 3.852 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.813 6.491 5.204 1.00 0.00 C ATOM 0 H PHE A 77 -0.885 2.291 0.626 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.961 2.307 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.793 4.564 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.814 4.223 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.610 4.139 5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.040 5.966 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.097 5.499 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.552 7.329 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.466 7.079 5.831 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.847 0.808 3.175 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.001 -0.065 3.044 1.00 0.00 C ATOM 1227 C ASN A 78 -5.225 0.620 3.655 1.00 0.00 C ATOM 1228 O ASN A 78 -5.591 0.343 4.797 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.780 -1.386 3.785 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.928 -2.362 3.520 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.090 -2.071 3.752 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.540 -3.532 3.023 1.00 0.00 N ATOM 0 H ASN A 78 -2.208 0.559 3.930 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.152 -0.267 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.838 -1.832 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.698 -1.197 4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.232 -4.251 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.550 -3.711 2.852 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.824 1.502 2.869 1.00 0.00 N ATOM 1240 CA GLY A 79 -6.999 2.229 3.318 1.00 0.00 C ATOM 1241 C GLY A 79 -6.604 3.434 4.174 1.00 0.00 C ATOM 1242 O GLY A 79 -6.408 4.531 3.655 1.00 0.00 O ATOM 0 H GLY A 79 -5.517 1.730 1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.575 2.564 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.644 1.565 3.894 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.499 3.188 5.472 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.131 4.239 6.406 1.00 0.00 C ATOM 1248 C ASP A 80 -5.101 3.696 7.398 1.00 0.00 C ATOM 1249 O ASP A 80 -4.846 4.311 8.432 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.347 4.720 7.201 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.141 6.028 7.967 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -6.484 5.967 9.029 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.647 7.060 7.475 1.00 0.00 O ATOM 0 H ASP A 80 -6.662 2.276 5.899 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.723 5.072 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.184 4.846 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.630 3.942 7.910 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.537 2.549 7.049 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.541 1.916 7.896 1.00 0.00 C ATOM 1260 C ARG A 81 -2.161 1.992 7.240 1.00 0.00 C ATOM 1261 O ARG A 81 -1.966 1.485 6.137 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.893 0.451 8.160 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.940 0.160 9.661 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.275 -1.310 9.925 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.295 -1.413 10.992 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.002 -2.521 11.251 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.804 -3.628 10.522 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.906 -2.523 12.240 1.00 0.00 N ATOM 0 H ARG A 81 -4.751 2.042 6.191 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.525 2.450 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.858 0.219 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.156 -0.195 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.978 0.404 10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.686 0.798 10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.644 -1.777 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.375 -1.850 10.218 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.471 -0.589 11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.115 -3.627 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.342 -4.472 10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.056 -1.681 12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.444 -3.367 12.437 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.239 2.629 7.947 1.00 0.00 N ATOM 1283 CA TYR A 82 0.117 2.778 7.447 1.00 0.00 C ATOM 1284 C TYR A 82 0.715 1.420 7.073 1.00 0.00 C ATOM 1285 O TYR A 82 0.928 0.572 7.938 1.00 0.00 O ATOM 1286 CB TYR A 82 0.927 3.379 8.598 1.00 0.00 C ATOM 1287 CG TYR A 82 2.359 3.761 8.218 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.638 4.209 6.942 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.371 3.658 9.150 1.00 0.00 C ATOM 1290 CE1 TYR A 82 3.985 4.569 6.585 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.719 4.018 8.792 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.959 4.456 7.527 1.00 0.00 C ATOM 1293 OH TYR A 82 6.232 4.796 7.189 1.00 0.00 O ATOM 0 H TYR A 82 -1.405 3.048 8.862 1.00 0.00 H new ATOM 0 HA TYR A 82 0.131 3.404 6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.411 4.265 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.959 2.663 9.419 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.846 4.289 6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.153 3.307 10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.217 4.921 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.521 3.942 9.512 1.00 0.00 H new ATOM 0 HH TYR A 82 6.213 5.496 6.503 1.00 0.00 H new ATOM 1303 N CYS A 83 0.970 1.257 5.783 1.00 0.00 N ATOM 1304 CA CYS A 83 1.540 0.017 5.284 1.00 0.00 C ATOM 1305 C CYS A 83 3.052 0.057 5.512 1.00 0.00 C ATOM 1306 O CYS A 83 3.559 -0.567 6.443 1.00 0.00 O ATOM 1307 CB CYS A 83 1.190 -0.213 3.812 1.00 0.00 C ATOM 1308 SG CYS A 83 1.926 -1.786 3.233 1.00 0.00 S ATOM 0 H CYS A 83 0.792 1.963 5.068 1.00 0.00 H new ATOM 0 HA CYS A 83 1.115 -0.827 5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.108 -0.240 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.560 0.615 3.208 1.00 0.00 H new ATOM 0 HG CYS A 83 3.217 -1.658 3.154 1.00 0.00 H new ATOM 1314 N GLY A 84 3.730 0.797 4.647 1.00 0.00 N ATOM 1315 CA GLY A 84 5.174 0.926 4.743 1.00 0.00 C ATOM 1316 C GLY A 84 5.757 1.524 3.461 1.00 0.00 C ATOM 1317 O GLY A 84 5.235 1.294 2.371 1.00 0.00 O ATOM 0 H GLY A 84 3.306 1.313 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.431 1.558 5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.619 -0.052 4.927 1.00 0.00 H new ATOM 1321 N ASP A 85 6.831 2.281 3.634 1.00 0.00 N ATOM 1322 CA ASP A 85 7.490 2.914 2.505 1.00 0.00 C ATOM 1323 C ASP A 85 8.047 1.834 1.574 1.00 0.00 C ATOM 1324 O ASP A 85 7.843 0.644 1.806 1.00 0.00 O ATOM 1325 CB ASP A 85 8.658 3.787 2.967 1.00 0.00 C ATOM 1326 CG ASP A 85 9.570 3.145 4.015 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.897 1.953 3.829 1.00 0.00 O ATOM 1328 OD2 ASP A 85 9.919 3.861 4.979 1.00 0.00 O ATOM 0 H ASP A 85 7.261 2.470 4.539 1.00 0.00 H new ATOM 0 HA ASP A 85 6.756 3.535 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.259 4.053 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.259 4.716 3.375 1.00 0.00 H new ATOM 1333 N TYR A 86 8.739 2.289 0.540 1.00 0.00 N ATOM 1334 CA TYR A 86 9.326 1.377 -0.427 1.00 0.00 C ATOM 1335 C TYR A 86 10.200 0.330 0.267 1.00 0.00 C ATOM 1336 O TYR A 86 10.134 -0.854 -0.059 1.00 0.00 O ATOM 1337 CB TYR A 86 10.207 2.236 -1.336 1.00 0.00 C ATOM 1338 CG TYR A 86 11.275 1.446 -2.095 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.944 0.777 -3.255 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.570 1.404 -1.619 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.950 0.034 -3.969 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.576 0.660 -2.333 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.216 0.012 -3.473 1.00 0.00 C ATOM 1344 OH TYR A 86 14.166 -0.690 -4.147 1.00 0.00 O ATOM 0 H TYR A 86 8.906 3.277 0.351 1.00 0.00 H new ATOM 0 HA TYR A 86 8.548 0.848 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.573 2.754 -2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.696 3.001 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.931 0.810 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.829 1.929 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.704 -0.494 -4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.593 0.618 -1.971 1.00 0.00 H new ATOM 0 HH TYR A 86 13.890 -1.627 -4.221 1.00 0.00 H new ATOM 1354 N ASP A 87 10.998 0.804 1.213 1.00 0.00 N ATOM 1355 CA ASP A 87 11.883 -0.076 1.956 1.00 0.00 C ATOM 1356 C ASP A 87 11.127 -1.351 2.334 1.00 0.00 C ATOM 1357 O ASP A 87 11.564 -2.455 2.011 1.00 0.00 O ATOM 1358 CB ASP A 87 12.364 0.589 3.247 1.00 0.00 C ATOM 1359 CG ASP A 87 13.827 0.321 3.605 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.300 -0.786 3.271 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.440 1.230 4.207 1.00 0.00 O ATOM 0 H ASP A 87 11.050 1.787 1.482 1.00 0.00 H new ATOM 0 HA ASP A 87 12.743 -0.302 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.218 1.666 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.736 0.248 4.070 1.00 0.00 H new ATOM 1366 N SER A 88 10.007 -1.157 3.014 1.00 0.00 N ATOM 1367 CA SER A 88 9.186 -2.278 3.439 1.00 0.00 C ATOM 1368 C SER A 88 8.756 -3.103 2.225 1.00 0.00 C ATOM 1369 O SER A 88 9.137 -4.265 2.092 1.00 0.00 O ATOM 1370 CB SER A 88 7.959 -1.799 4.217 1.00 0.00 C ATOM 1371 OG SER A 88 8.311 -1.241 5.480 1.00 0.00 O ATOM 0 H SER A 88 9.649 -0.240 3.281 1.00 0.00 H new ATOM 0 HA SER A 88 9.782 -2.905 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.425 -1.054 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.276 -2.635 4.368 1.00 0.00 H new ATOM 0 HG SER A 88 7.500 -0.946 5.945 1.00 0.00 H new ATOM 1377 N PHE A 89 7.967 -2.470 1.369 1.00 0.00 N ATOM 1378 CA PHE A 89 7.480 -3.130 0.170 1.00 0.00 C ATOM 1379 C PHE A 89 8.561 -4.025 -0.440 1.00 0.00 C ATOM 1380 O PHE A 89 8.287 -5.160 -0.828 1.00 0.00 O ATOM 1381 CB PHE A 89 7.120 -2.031 -0.832 1.00 0.00 C ATOM 1382 CG PHE A 89 7.100 -2.499 -2.288 1.00 0.00 C ATOM 1383 CD1 PHE A 89 6.416 -3.623 -2.632 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.767 -1.791 -3.239 1.00 0.00 C ATOM 1385 CE1 PHE A 89 6.397 -4.057 -3.984 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.749 -2.225 -4.591 1.00 0.00 C ATOM 1387 CZ PHE A 89 7.064 -3.349 -4.935 1.00 0.00 C ATOM 0 H PHE A 89 7.653 -1.506 1.482 1.00 0.00 H new ATOM 0 HA PHE A 89 6.621 -3.756 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.140 -1.628 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.836 -1.215 -0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.887 -4.186 -1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.310 -0.899 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.853 -4.949 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.279 -1.663 -5.346 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.050 -3.679 -5.963 1.00 0.00 H new ATOM 1397 N PHE A 90 9.768 -3.481 -0.505 1.00 0.00 N ATOM 1398 CA PHE A 90 10.891 -4.216 -1.061 1.00 0.00 C ATOM 1399 C PHE A 90 11.388 -5.281 -0.082 1.00 0.00 C ATOM 1400 O PHE A 90 11.736 -6.389 -0.487 1.00 0.00 O ATOM 1401 CB PHE A 90 12.011 -3.203 -1.306 1.00 0.00 C ATOM 1402 CG PHE A 90 13.190 -3.760 -2.107 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.147 -4.499 -1.483 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.281 -3.516 -3.442 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.241 -5.016 -2.226 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.375 -4.033 -4.184 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.332 -4.772 -3.561 1.00 0.00 C ATOM 0 H PHE A 90 9.992 -2.540 -0.182 1.00 0.00 H new ATOM 0 HA PHE A 90 10.589 -4.719 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.600 -2.343 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.377 -2.841 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.075 -4.692 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.521 -2.929 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.001 -5.603 -1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.448 -3.839 -5.244 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.164 -5.165 -4.126 1.00 0.00 H new ATOM 1417 N GLU A 91 11.406 -4.908 1.190 1.00 0.00 N ATOM 1418 CA GLU A 91 11.854 -5.817 2.230 1.00 0.00 C ATOM 1419 C GLU A 91 10.960 -7.058 2.273 1.00 0.00 C ATOM 1420 O GLU A 91 11.310 -8.058 2.898 1.00 0.00 O ATOM 1421 CB GLU A 91 11.888 -5.119 3.592 1.00 0.00 C ATOM 1422 CG GLU A 91 13.290 -5.174 4.201 1.00 0.00 C ATOM 1423 CD GLU A 91 13.287 -4.632 5.632 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.479 -3.713 5.890 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.092 -5.149 6.437 1.00 0.00 O ATOM 0 H GLU A 91 11.117 -3.988 1.523 1.00 0.00 H new ATOM 0 HA GLU A 91 12.870 -6.133 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.577 -4.080 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.176 -5.595 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.652 -6.202 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.979 -4.592 3.589 1.00 0.00 H new ATOM 1432 N SER A 92 9.824 -6.953 1.599 1.00 0.00 N ATOM 1433 CA SER A 92 8.878 -8.055 1.552 1.00 0.00 C ATOM 1434 C SER A 92 9.020 -8.811 0.229 1.00 0.00 C ATOM 1435 O SER A 92 9.045 -10.040 0.213 1.00 0.00 O ATOM 1436 CB SER A 92 7.442 -7.555 1.725 1.00 0.00 C ATOM 1437 OG SER A 92 6.991 -7.684 3.071 1.00 0.00 O ATOM 0 H SER A 92 9.537 -6.122 1.081 1.00 0.00 H new ATOM 0 HA SER A 92 9.101 -8.733 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.383 -6.510 1.421 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.780 -8.117 1.065 1.00 0.00 H new ATOM 0 HG SER A 92 7.031 -8.625 3.341 1.00 0.00 H new ATOM 1443 N LYS A 93 9.110 -8.044 -0.847 1.00 0.00 N ATOM 1444 CA LYS A 93 9.249 -8.626 -2.171 1.00 0.00 C ATOM 1445 C LYS A 93 10.313 -9.724 -2.131 1.00 0.00 C ATOM 1446 O LYS A 93 10.159 -10.766 -2.767 1.00 0.00 O ATOM 1447 CB LYS A 93 9.529 -7.536 -3.209 1.00 0.00 C ATOM 1448 CG LYS A 93 8.235 -6.841 -3.636 1.00 0.00 C ATOM 1449 CD LYS A 93 8.422 -6.099 -4.960 1.00 0.00 C ATOM 1450 CE LYS A 93 9.458 -4.981 -4.821 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.810 -5.483 -5.153 1.00 0.00 N ATOM 0 H LYS A 93 9.089 -7.024 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 93 8.316 -9.096 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.220 -6.802 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.015 -7.975 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.439 -7.578 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.923 -6.139 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.740 -6.800 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.470 -5.679 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.199 -4.153 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.448 -4.592 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.430 -5.385 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.751 -6.485 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.200 -4.932 -5.944 1.00 0.00 H new ATOM 1465 N GLU A 94 11.369 -9.454 -1.378 1.00 0.00 N ATOM 1466 CA GLU A 94 12.458 -10.407 -1.247 1.00 0.00 C ATOM 1467 C GLU A 94 11.936 -11.739 -0.704 1.00 0.00 C ATOM 1468 O GLU A 94 12.351 -12.804 -1.159 1.00 0.00 O ATOM 1469 CB GLU A 94 13.570 -9.850 -0.355 1.00 0.00 C ATOM 1470 CG GLU A 94 14.341 -8.738 -1.069 1.00 0.00 C ATOM 1471 CD GLU A 94 15.724 -8.542 -0.446 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.437 -9.561 -0.315 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.038 -7.378 -0.115 1.00 0.00 O ATOM 0 H GLU A 94 11.494 -8.589 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 94 12.883 -10.581 -2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.140 -9.464 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.254 -10.652 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.446 -8.984 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.778 -7.806 -1.013 1.00 0.00 H new ATOM 1480 N SER A 95 11.033 -11.635 0.260 1.00 0.00 N ATOM 1481 CA SER A 95 10.450 -12.819 0.869 1.00 0.00 C ATOM 1482 C SER A 95 9.042 -13.051 0.318 1.00 0.00 C ATOM 1483 O SER A 95 8.294 -13.875 0.841 1.00 0.00 O ATOM 1484 CB SER A 95 10.409 -12.690 2.393 1.00 0.00 C ATOM 1485 OG SER A 95 11.470 -13.407 3.018 1.00 0.00 O ATOM 0 H SER A 95 10.691 -10.750 0.634 1.00 0.00 H new ATOM 0 HA SER A 95 11.076 -13.676 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.470 -11.637 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.453 -13.061 2.763 1.00 0.00 H new ATOM 0 HG SER A 95 11.410 -13.298 3.990 1.00 0.00 H new ATOM 1491 N ASN A 96 8.722 -12.309 -0.733 1.00 0.00 N ATOM 1492 CA ASN A 96 7.417 -12.423 -1.360 1.00 0.00 C ATOM 1493 C ASN A 96 6.329 -12.319 -0.289 1.00 0.00 C ATOM 1494 O ASN A 96 5.508 -13.223 -0.142 1.00 0.00 O ATOM 1495 CB ASN A 96 7.260 -13.774 -2.063 1.00 0.00 C ATOM 1496 CG ASN A 96 7.726 -13.692 -3.518 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.122 -12.650 -4.012 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.657 -14.847 -4.173 1.00 0.00 N ATOM 0 H ASN A 96 9.345 -11.627 -1.166 1.00 0.00 H new ATOM 0 HA ASN A 96 7.324 -11.621 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.838 -14.532 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.216 -14.087 -2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.946 -14.897 -5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.315 -15.683 -3.698 1.00 0.00 H new ATOM 1505 N THR A 97 6.359 -11.207 0.432 1.00 0.00 N ATOM 1506 CA THR A 97 5.385 -10.973 1.485 1.00 0.00 C ATOM 1507 C THR A 97 4.593 -9.694 1.204 1.00 0.00 C ATOM 1508 O THR A 97 3.741 -9.300 1.999 1.00 0.00 O ATOM 1509 CB THR A 97 6.132 -10.944 2.820 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.231 -10.069 2.585 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.788 -12.286 3.153 1.00 0.00 C ATOM 0 H THR A 97 7.042 -10.459 0.308 1.00 0.00 H new ATOM 0 HA THR A 97 4.646 -11.773 1.526 1.00 0.00 H new ATOM 0 HB THR A 97 5.440 -10.670 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.067 -10.522 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.305 -12.211 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.023 -13.060 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.504 -12.544 2.373 1.00 0.00 H new ATOM 1519 N VAL A 98 4.903 -9.082 0.071 1.00 0.00 N ATOM 1520 CA VAL A 98 4.230 -7.856 -0.325 1.00 0.00 C ATOM 1521 C VAL A 98 2.752 -7.944 0.058 1.00 0.00 C ATOM 1522 O VAL A 98 2.191 -6.996 0.606 1.00 0.00 O ATOM 1523 CB VAL A 98 4.447 -7.598 -1.818 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.315 -6.748 -2.397 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.807 -6.945 -2.069 1.00 0.00 C ATOM 0 H VAL A 98 5.611 -9.412 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 98 4.652 -7.001 0.203 1.00 0.00 H new ATOM 0 HB VAL A 98 4.438 -8.560 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.493 -6.579 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.366 -7.268 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.278 -5.790 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.936 -6.772 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.857 -5.994 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.598 -7.603 -1.710 1.00 0.00 H new ATOM 1535 N PHE A 99 2.162 -9.091 -0.246 1.00 0.00 N ATOM 1536 CA PHE A 99 0.759 -9.315 0.059 1.00 0.00 C ATOM 1537 C PHE A 99 0.487 -9.129 1.553 1.00 0.00 C ATOM 1538 O PHE A 99 -0.384 -8.350 1.937 1.00 0.00 O ATOM 1539 CB PHE A 99 0.442 -10.760 -0.330 1.00 0.00 C ATOM 1540 CG PHE A 99 0.404 -11.004 -1.840 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.758 -10.833 -2.527 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.531 -11.392 -2.495 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -0.793 -11.060 -3.928 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.495 -11.619 -3.896 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.334 -11.448 -4.583 1.00 0.00 C ATOM 0 H PHE A 99 2.630 -9.875 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 99 0.141 -8.602 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.189 -11.417 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.522 -11.037 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.653 -10.525 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.453 -11.527 -1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.715 -10.925 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.390 -11.928 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.307 -11.620 -5.649 1.00 0.00 H new ATOM 1555 N SER A 100 1.247 -9.860 2.356 1.00 0.00 N ATOM 1556 CA SER A 100 1.099 -9.785 3.799 1.00 0.00 C ATOM 1557 C SER A 100 1.534 -8.407 4.300 1.00 0.00 C ATOM 1558 O SER A 100 0.981 -7.892 5.270 1.00 0.00 O ATOM 1559 CB SER A 100 1.909 -10.883 4.493 1.00 0.00 C ATOM 1560 OG SER A 100 1.382 -11.203 5.778 1.00 0.00 O ATOM 0 H SER A 100 1.967 -10.507 2.034 1.00 0.00 H new ATOM 0 HA SER A 100 0.048 -9.937 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.915 -11.778 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.945 -10.559 4.596 1.00 0.00 H new ATOM 0 HG SER A 100 1.925 -11.908 6.188 1.00 0.00 H new ATOM 1566 N PHE A 101 2.522 -7.849 3.615 1.00 0.00 N ATOM 1567 CA PHE A 101 3.038 -6.540 3.978 1.00 0.00 C ATOM 1568 C PHE A 101 1.935 -5.481 3.923 1.00 0.00 C ATOM 1569 O PHE A 101 1.910 -4.562 4.740 1.00 0.00 O ATOM 1570 CB PHE A 101 4.119 -6.186 2.956 1.00 0.00 C ATOM 1571 CG PHE A 101 4.347 -4.683 2.785 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.534 -3.895 3.878 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.361 -4.134 1.541 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.744 -2.499 3.720 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.572 -2.739 1.383 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.759 -1.951 2.475 1.00 0.00 C ATOM 0 H PHE A 101 2.979 -8.280 2.811 1.00 0.00 H new ATOM 0 HA PHE A 101 3.431 -6.564 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.056 -6.653 3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.846 -6.614 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.523 -4.331 4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.212 -4.759 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.892 -1.873 4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.584 -2.304 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.919 -0.890 2.354 1.00 0.00 H new ATOM 1586 N LEU A 102 1.049 -5.645 2.952 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.054 -4.715 2.779 1.00 0.00 C ATOM 1588 C LEU A 102 -1.272 -5.225 3.552 1.00 0.00 C ATOM 1589 O LEU A 102 -2.344 -4.627 3.493 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.325 -4.475 1.293 1.00 0.00 C ATOM 1591 CG LEU A 102 0.908 -4.387 0.392 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.679 -5.132 -0.925 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.317 -2.931 0.162 1.00 0.00 C ATOM 0 H LEU A 102 1.072 -6.409 2.276 1.00 0.00 H new ATOM 0 HA LEU A 102 0.202 -3.740 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.962 -5.280 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.891 -3.549 1.192 1.00 0.00 H new ATOM 0 HG LEU A 102 1.738 -4.878 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.571 -5.054 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.472 -6.182 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.169 -4.692 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.196 -2.897 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.497 -2.394 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.550 -2.463 1.119 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.065 -6.327 4.259 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.132 -6.925 5.043 1.00 0.00 C ATOM 1607 C GLY A 103 -3.113 -7.682 4.145 1.00 0.00 C ATOM 1608 O GLY A 103 -4.319 -7.669 4.388 1.00 0.00 O ATOM 0 H GLY A 103 -0.174 -6.821 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.708 -7.606 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.663 -6.149 5.594 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.560 -8.323 3.127 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.370 -9.085 2.192 1.00 0.00 C ATOM 1614 C LEU A 104 -3.233 -10.577 2.501 1.00 0.00 C ATOM 1615 O LEU A 104 -2.135 -11.058 2.778 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.011 -8.720 0.750 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.913 -7.225 0.441 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.221 -6.987 -0.902 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.291 -6.562 0.501 1.00 0.00 C ATOM 0 H LEU A 104 -1.560 -8.331 2.929 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.424 -8.831 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.056 -9.185 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.758 -9.159 0.088 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.296 -6.757 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.164 -5.916 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.214 -7.404 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.790 -7.471 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.194 -5.500 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.951 -7.028 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.711 -6.686 1.499 1.00 0.00 H new