USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 667 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 Single : A 11 LYS NZ :NH3+ 150:sc= 0.0107 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 156:sc= -3.11 (180deg=-4.89!) USER MOD Single : A 48 GLN : amide:sc= -0.0668 K(o=-0.067,f=-0.83) USER MOD Single : A 51 MET CE :methyl -173:sc= -3.56! (180deg=-3.95!) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= -0.151 (180deg=-0.695) USER MOD Single : A 62 HIS : no HD1:sc= -2.16! K(o=-2.2!,f=-0.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 10:sc= -0.281 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-2.8!) USER MOD Single : A 82 ASN : amide:sc= -5.59! K(o=-5.6!,f=-1.9) USER MOD Single : A 84 LYS NZ :NH3+ -135:sc= -0.337 (180deg=-2.64!) USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= 0.652 (180deg=-2.79!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.85 K(o=-1.8,f=-8.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -8.964 -0.707 -12.308 1.00 0.00 N ATOM 143 CA GLU A 10 -8.334 -2.015 -12.195 1.00 0.00 C ATOM 144 C GLU A 10 -9.357 -3.149 -12.149 1.00 0.00 C ATOM 145 O GLU A 10 -10.372 -3.058 -11.457 1.00 0.00 O ATOM 146 CB GLU A 10 -7.440 -2.052 -10.956 1.00 0.00 C ATOM 147 CG GLU A 10 -8.199 -1.869 -9.652 1.00 0.00 C ATOM 148 CD GLU A 10 -7.570 -0.821 -8.754 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.412 -1.022 -8.328 1.00 0.00 O ATOM 150 OE2 GLU A 10 -8.234 0.199 -8.476 1.00 0.00 O ATOM 0 HA GLU A 10 -7.729 -2.169 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.911 -3.005 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.685 -1.271 -11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.228 -1.584 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.238 -2.821 -9.122 1.00 0.00 H new ATOM 157 N LYS A 11 -9.074 -4.217 -12.894 1.00 0.00 N ATOM 158 CA LYS A 11 -9.953 -5.382 -12.954 1.00 0.00 C ATOM 159 C LYS A 11 -9.946 -6.141 -11.623 1.00 0.00 C ATOM 160 O LYS A 11 -9.656 -5.561 -10.578 1.00 0.00 O ATOM 161 CB LYS A 11 -9.532 -6.304 -14.108 1.00 0.00 C ATOM 162 CG LYS A 11 -8.144 -6.905 -13.950 1.00 0.00 C ATOM 163 CD LYS A 11 -7.779 -7.781 -15.143 1.00 0.00 C ATOM 164 CE LYS A 11 -7.493 -9.214 -14.722 1.00 0.00 C ATOM 165 NZ LYS A 11 -6.607 -9.912 -15.695 1.00 0.00 N ATOM 0 H LYS A 11 -8.235 -4.298 -13.469 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.971 -5.037 -13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.258 -7.112 -14.196 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.568 -5.740 -15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.410 -6.106 -13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.104 -7.497 -13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.595 -7.770 -15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.904 -7.367 -15.644 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.025 -9.217 -13.738 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.432 -9.760 -14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.038 -10.625 -15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.188 -10.378 -16.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.976 -9.220 -16.148 1.00 0.00 H new ATOM 179 N ASP A 12 -10.279 -7.434 -11.660 1.00 0.00 N ATOM 180 CA ASP A 12 -10.313 -8.248 -10.448 1.00 0.00 C ATOM 181 C ASP A 12 -9.476 -9.518 -10.600 1.00 0.00 C ATOM 182 O ASP A 12 -9.687 -10.499 -9.888 1.00 0.00 O ATOM 183 CB ASP A 12 -11.755 -8.616 -10.100 1.00 0.00 C ATOM 184 CG ASP A 12 -12.647 -7.396 -9.966 1.00 0.00 C ATOM 185 OD1 ASP A 12 -13.099 -6.875 -11.008 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.892 -6.962 -8.821 1.00 0.00 O ATOM 0 H ASP A 12 -10.527 -7.935 -12.513 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.884 -7.656 -9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.156 -9.273 -10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.769 -9.177 -9.166 1.00 0.00 H new ATOM 191 N GLY A 13 -8.525 -9.491 -11.527 1.00 0.00 N ATOM 192 CA GLY A 13 -7.669 -10.644 -11.752 1.00 0.00 C ATOM 193 C GLY A 13 -6.288 -10.470 -11.146 1.00 0.00 C ATOM 194 O GLY A 13 -6.110 -9.690 -10.213 1.00 0.00 O ATOM 0 H GLY A 13 -8.330 -8.690 -12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.140 -11.530 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.573 -10.817 -12.824 1.00 0.00 H new ATOM 198 N ALA A 14 -5.312 -11.206 -11.669 1.00 0.00 N ATOM 199 CA ALA A 14 -3.940 -11.143 -11.164 1.00 0.00 C ATOM 200 C ALA A 14 -3.262 -9.817 -11.509 1.00 0.00 C ATOM 201 O ALA A 14 -3.894 -8.897 -12.030 1.00 0.00 O ATOM 202 CB ALA A 14 -3.127 -12.306 -11.712 1.00 0.00 C ATOM 0 H ALA A 14 -5.444 -11.855 -12.444 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.987 -11.213 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.108 -12.249 -11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.580 -13.246 -11.399 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.110 -12.257 -12.801 1.00 0.00 H new ATOM 208 N VAL A 15 -1.953 -9.752 -11.255 1.00 0.00 N ATOM 209 CA VAL A 15 -1.162 -8.566 -11.581 1.00 0.00 C ATOM 210 C VAL A 15 -1.079 -8.380 -13.090 1.00 0.00 C ATOM 211 O VAL A 15 -1.189 -9.350 -13.841 1.00 0.00 O ATOM 212 CB VAL A 15 0.266 -8.656 -11.009 1.00 0.00 C ATOM 213 CG1 VAL A 15 0.987 -9.881 -11.549 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.056 -7.390 -11.316 1.00 0.00 C ATOM 0 H VAL A 15 -1.420 -10.507 -10.825 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.665 -7.712 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 15 0.189 -8.754 -9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.993 -9.924 -11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.438 -10.780 -11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.047 -9.818 -12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.060 -7.478 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.119 -7.254 -12.396 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.554 -6.531 -10.871 1.00 0.00 H new ATOM 224 N GLU A 16 -0.855 -7.152 -13.541 1.00 0.00 N ATOM 225 CA GLU A 16 -0.727 -6.883 -14.963 1.00 0.00 C ATOM 226 C GLU A 16 0.458 -5.955 -15.217 1.00 0.00 C ATOM 227 O GLU A 16 0.946 -5.298 -14.297 1.00 0.00 O ATOM 228 CB GLU A 16 -2.013 -6.272 -15.515 1.00 0.00 C ATOM 229 CG GLU A 16 -3.060 -7.309 -15.891 1.00 0.00 C ATOM 230 CD GLU A 16 -3.911 -6.880 -17.069 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.397 -6.140 -17.934 1.00 0.00 O ATOM 232 OE2 GLU A 16 -5.091 -7.285 -17.128 1.00 0.00 O ATOM 0 H GLU A 16 -0.759 -6.331 -12.943 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.551 -7.826 -15.480 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.433 -5.595 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.774 -5.672 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.564 -8.250 -16.130 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.704 -7.497 -15.032 1.00 0.00 H new ATOM 239 N ALA A 17 0.935 -5.950 -16.462 1.00 0.00 N ATOM 240 CA ALA A 17 2.103 -5.147 -16.858 1.00 0.00 C ATOM 241 C ALA A 17 2.356 -3.988 -15.886 1.00 0.00 C ATOM 242 O ALA A 17 3.287 -4.044 -15.083 1.00 0.00 O ATOM 243 CB ALA A 17 1.917 -4.616 -18.273 1.00 0.00 C ATOM 0 H ALA A 17 0.530 -6.496 -17.222 1.00 0.00 H new ATOM 0 HA ALA A 17 2.977 -5.798 -16.827 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.787 -4.023 -18.556 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.807 -5.452 -18.964 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.024 -3.992 -18.313 1.00 0.00 H new ATOM 249 N GLU A 18 1.540 -2.942 -15.959 1.00 0.00 N ATOM 250 CA GLU A 18 1.708 -1.789 -15.077 1.00 0.00 C ATOM 251 C GLU A 18 0.481 -1.600 -14.189 1.00 0.00 C ATOM 252 O GLU A 18 -0.295 -0.661 -14.372 1.00 0.00 O ATOM 253 CB GLU A 18 1.955 -0.523 -15.902 1.00 0.00 C ATOM 254 CG GLU A 18 0.849 -0.221 -16.900 1.00 0.00 C ATOM 255 CD GLU A 18 0.570 1.264 -17.026 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.160 1.807 -16.169 1.00 0.00 O ATOM 257 OE2 GLU A 18 1.080 1.886 -17.981 1.00 0.00 O ATOM 0 H GLU A 18 0.761 -2.867 -16.614 1.00 0.00 H new ATOM 0 HA GLU A 18 2.572 -1.973 -14.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.065 0.325 -15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.898 -0.627 -16.438 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.126 -0.619 -17.876 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.063 -0.734 -16.593 1.00 0.00 H new ATOM 264 N ASP A 19 0.297 -2.520 -13.241 1.00 0.00 N ATOM 265 CA ASP A 19 -0.853 -2.475 -12.340 1.00 0.00 C ATOM 266 C ASP A 19 -0.509 -1.891 -10.964 1.00 0.00 C ATOM 267 O ASP A 19 0.549 -1.291 -10.775 1.00 0.00 O ATOM 268 CB ASP A 19 -1.448 -3.882 -12.197 1.00 0.00 C ATOM 269 CG ASP A 19 -0.940 -4.653 -10.991 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.201 -4.403 -10.562 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.688 -5.511 -10.479 1.00 0.00 O ATOM 0 H ASP A 19 0.929 -3.304 -13.078 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.590 -1.804 -12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.533 -3.801 -12.131 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.225 -4.452 -13.099 1.00 0.00 H new ATOM 276 N ARG A 20 -1.421 -2.092 -10.008 1.00 0.00 N ATOM 277 CA ARG A 20 -1.241 -1.613 -8.641 1.00 0.00 C ATOM 278 C ARG A 20 -1.875 -2.595 -7.654 1.00 0.00 C ATOM 279 O ARG A 20 -3.091 -2.779 -7.645 1.00 0.00 O ATOM 280 CB ARG A 20 -1.872 -0.231 -8.468 1.00 0.00 C ATOM 281 CG ARG A 20 -0.953 0.931 -8.817 1.00 0.00 C ATOM 282 CD ARG A 20 -0.297 1.526 -7.578 1.00 0.00 C ATOM 283 NE ARG A 20 -0.590 2.954 -7.414 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.294 3.891 -8.313 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.284 3.569 -9.461 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.585 5.160 -8.063 1.00 0.00 N ATOM 0 H ARG A 20 -2.299 -2.589 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.172 -1.539 -8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.764 -0.172 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.198 -0.122 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.182 0.590 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.524 1.703 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.639 0.985 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.782 1.385 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.051 3.249 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.507 2.595 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.506 4.296 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.034 5.417 -7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.359 5.880 -8.750 1.00 0.00 H new ATOM 300 N VAL A 21 -1.049 -3.217 -6.818 1.00 0.00 N ATOM 301 CA VAL A 21 -1.527 -4.169 -5.820 1.00 0.00 C ATOM 302 C VAL A 21 -1.789 -3.490 -4.476 1.00 0.00 C ATOM 303 O VAL A 21 -1.421 -2.334 -4.276 1.00 0.00 O ATOM 304 CB VAL A 21 -0.492 -5.287 -5.598 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.300 -6.120 -6.856 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.827 -4.690 -5.150 1.00 0.00 C ATOM 0 H VAL A 21 -0.039 -3.078 -6.812 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.459 -4.586 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.867 -5.949 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.437 -6.901 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.249 -6.577 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.050 -5.480 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.554 -5.488 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.196 -4.007 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.682 -4.146 -4.217 1.00 0.00 H new ATOM 316 N THR A 22 -2.384 -4.233 -3.543 1.00 0.00 N ATOM 317 CA THR A 22 -2.639 -3.719 -2.204 1.00 0.00 C ATOM 318 C THR A 22 -1.930 -4.608 -1.196 1.00 0.00 C ATOM 319 O THR A 22 -2.255 -5.786 -1.066 1.00 0.00 O ATOM 320 CB THR A 22 -4.134 -3.680 -1.892 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.812 -2.806 -2.776 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.425 -3.230 -0.476 1.00 0.00 C ATOM 0 H THR A 22 -2.697 -5.192 -3.693 1.00 0.00 H new ATOM 0 HA THR A 22 -2.262 -2.698 -2.146 1.00 0.00 H new ATOM 0 HB THR A 22 -4.488 -4.704 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.768 -2.798 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.502 -3.221 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.956 -3.917 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.027 -2.227 -0.324 1.00 0.00 H new ATOM 330 N ILE A 23 -0.932 -4.065 -0.515 1.00 0.00 N ATOM 331 CA ILE A 23 -0.167 -4.858 0.435 1.00 0.00 C ATOM 332 C ILE A 23 -0.049 -4.211 1.812 1.00 0.00 C ATOM 333 O ILE A 23 -0.125 -2.995 1.963 1.00 0.00 O ATOM 334 CB ILE A 23 1.256 -5.106 -0.089 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.862 -3.804 -0.610 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.257 -6.166 -1.179 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.220 -3.982 -1.243 1.00 0.00 C ATOM 0 H ILE A 23 -0.636 -3.093 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.719 -5.792 0.541 1.00 0.00 H new ATOM 0 HB ILE A 23 1.866 -5.471 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.184 -3.364 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.944 -3.096 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.276 -6.323 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.864 -7.100 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.632 -5.836 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.589 -3.017 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.913 -4.393 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.141 -4.665 -2.088 1.00 0.00 H new ATOM 349 N ASP A 24 0.191 -5.064 2.800 1.00 0.00 N ATOM 350 CA ASP A 24 0.392 -4.650 4.184 1.00 0.00 C ATOM 351 C ASP A 24 1.756 -5.178 4.618 1.00 0.00 C ATOM 352 O ASP A 24 2.021 -6.370 4.473 1.00 0.00 O ATOM 353 CB ASP A 24 -0.717 -5.231 5.076 1.00 0.00 C ATOM 354 CG ASP A 24 -0.453 -5.059 6.563 1.00 0.00 C ATOM 355 OD1 ASP A 24 0.721 -5.156 6.980 1.00 0.00 O ATOM 356 OD2 ASP A 24 -1.425 -4.832 7.313 1.00 0.00 O ATOM 0 H ASP A 24 0.252 -6.073 2.662 1.00 0.00 H new ATOM 0 HA ASP A 24 0.355 -3.564 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.663 -4.751 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.830 -6.292 4.856 1.00 0.00 H new ATOM 361 N PHE A 25 2.640 -4.317 5.115 1.00 0.00 N ATOM 362 CA PHE A 25 3.966 -4.789 5.503 1.00 0.00 C ATOM 363 C PHE A 25 4.495 -4.145 6.766 1.00 0.00 C ATOM 364 O PHE A 25 3.992 -3.126 7.226 1.00 0.00 O ATOM 365 CB PHE A 25 4.964 -4.567 4.365 1.00 0.00 C ATOM 366 CG PHE A 25 5.374 -3.133 4.146 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.142 -2.459 5.086 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.974 -2.452 3.005 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.502 -1.136 4.892 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.329 -1.129 2.814 1.00 0.00 C ATOM 371 CZ PHE A 25 6.089 -0.474 3.756 1.00 0.00 C ATOM 0 H PHE A 25 2.472 -3.321 5.256 1.00 0.00 H new ATOM 0 HA PHE A 25 3.854 -5.853 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.858 -5.158 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.530 -4.950 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.463 -2.973 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.380 -2.960 2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.104 -0.625 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.009 -0.609 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.362 0.560 3.605 1.00 0.00 H new ATOM 381 N THR A 26 5.520 -4.777 7.323 1.00 0.00 N ATOM 382 CA THR A 26 6.153 -4.299 8.547 1.00 0.00 C ATOM 383 C THR A 26 7.650 -4.610 8.543 1.00 0.00 C ATOM 384 O THR A 26 8.051 -5.773 8.566 1.00 0.00 O ATOM 385 CB THR A 26 5.485 -4.937 9.765 1.00 0.00 C ATOM 386 OG1 THR A 26 4.111 -4.587 9.834 1.00 0.00 O ATOM 387 CG2 THR A 26 6.124 -4.540 11.079 1.00 0.00 C ATOM 0 H THR A 26 5.934 -5.629 6.944 1.00 0.00 H new ATOM 0 HA THR A 26 6.030 -3.217 8.598 1.00 0.00 H new ATOM 0 HB THR A 26 5.611 -6.011 9.626 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.705 -5.008 10.620 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.600 -5.029 11.901 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.170 -4.846 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.062 -3.459 11.202 1.00 0.00 H new ATOM 395 N GLY A 27 8.472 -3.562 8.514 1.00 0.00 N ATOM 396 CA GLY A 27 9.911 -3.752 8.506 1.00 0.00 C ATOM 397 C GLY A 27 10.679 -2.507 8.902 1.00 0.00 C ATOM 398 O GLY A 27 10.113 -1.418 9.005 1.00 0.00 O ATOM 0 H GLY A 27 8.167 -2.589 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.168 -4.562 9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.225 -4.063 7.509 1.00 0.00 H new ATOM 402 N SER A 28 11.974 -2.682 9.137 1.00 0.00 N ATOM 403 CA SER A 28 12.851 -1.584 9.542 1.00 0.00 C ATOM 404 C SER A 28 13.836 -1.212 8.439 1.00 0.00 C ATOM 405 O SER A 28 13.931 -1.889 7.417 1.00 0.00 O ATOM 406 CB SER A 28 13.629 -1.987 10.797 1.00 0.00 C ATOM 407 OG SER A 28 13.202 -3.249 11.284 1.00 0.00 O ATOM 0 H SER A 28 12.446 -3.582 9.054 1.00 0.00 H new ATOM 0 HA SER A 28 12.225 -0.715 9.745 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.695 -2.023 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.493 -1.231 11.570 1.00 0.00 H new ATOM 0 HG SER A 28 13.717 -3.482 12.085 1.00 0.00 H new ATOM 413 N VAL A 29 14.588 -0.138 8.680 1.00 0.00 N ATOM 414 CA VAL A 29 15.596 0.337 7.741 1.00 0.00 C ATOM 415 C VAL A 29 17.004 0.082 8.286 1.00 0.00 C ATOM 416 O VAL A 29 17.660 -0.881 7.886 1.00 0.00 O ATOM 417 CB VAL A 29 15.397 1.841 7.387 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.034 2.673 8.616 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.627 2.420 6.691 1.00 0.00 C ATOM 0 H VAL A 29 14.514 0.423 9.529 1.00 0.00 H new ATOM 0 HA VAL A 29 15.476 -0.228 6.817 1.00 0.00 H new ATOM 0 HB VAL A 29 14.558 1.891 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.904 3.715 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.106 2.299 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.833 2.599 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.453 3.471 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.492 2.332 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.815 1.871 5.768 1.00 0.00 H new ATOM 429 N ASP A 30 17.466 0.928 9.200 1.00 0.00 N ATOM 430 CA ASP A 30 18.787 0.759 9.790 1.00 0.00 C ATOM 431 C ASP A 30 18.687 -0.002 11.106 1.00 0.00 C ATOM 432 O ASP A 30 19.362 0.329 12.082 1.00 0.00 O ATOM 433 CB ASP A 30 19.445 2.121 10.019 1.00 0.00 C ATOM 434 CG ASP A 30 18.553 3.070 10.795 1.00 0.00 C ATOM 435 OD1 ASP A 30 17.703 2.585 11.573 1.00 0.00 O ATOM 436 OD2 ASP A 30 18.704 4.298 10.627 1.00 0.00 O ATOM 0 H ASP A 30 16.947 1.735 9.547 1.00 0.00 H new ATOM 0 HA ASP A 30 19.403 0.183 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 30 20.381 1.983 10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.695 2.567 9.056 1.00 0.00 H new ATOM 441 N GLY A 31 17.827 -1.016 11.131 1.00 0.00 N ATOM 442 CA GLY A 31 17.640 -1.800 12.336 1.00 0.00 C ATOM 443 C GLY A 31 16.445 -1.330 13.148 1.00 0.00 C ATOM 444 O GLY A 31 16.010 -2.012 14.074 1.00 0.00 O ATOM 0 H GLY A 31 17.257 -1.308 10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.505 -2.848 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.539 -1.741 12.949 1.00 0.00 H new ATOM 448 N GLU A 32 15.912 -0.160 12.794 1.00 0.00 N ATOM 449 CA GLU A 32 14.761 0.402 13.490 1.00 0.00 C ATOM 450 C GLU A 32 13.729 0.913 12.487 1.00 0.00 C ATOM 451 O GLU A 32 14.021 1.786 11.669 1.00 0.00 O ATOM 452 CB GLU A 32 15.201 1.535 14.417 1.00 0.00 C ATOM 453 CG GLU A 32 16.277 1.126 15.409 1.00 0.00 C ATOM 454 CD GLU A 32 15.745 0.983 16.821 1.00 0.00 C ATOM 455 OE1 GLU A 32 14.704 0.317 17.000 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.368 1.539 17.751 1.00 0.00 O ATOM 0 H GLU A 32 16.262 0.415 12.028 1.00 0.00 H new ATOM 0 HA GLU A 32 14.304 -0.384 14.091 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.571 2.364 13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.334 1.902 14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.717 0.180 15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.076 1.868 15.399 1.00 0.00 H new ATOM 463 N GLU A 33 12.525 0.352 12.549 1.00 0.00 N ATOM 464 CA GLU A 33 11.454 0.729 11.647 1.00 0.00 C ATOM 465 C GLU A 33 11.170 2.212 11.739 1.00 0.00 C ATOM 466 O GLU A 33 10.864 2.739 12.810 1.00 0.00 O ATOM 467 CB GLU A 33 10.188 -0.077 11.945 1.00 0.00 C ATOM 468 CG GLU A 33 9.738 -0.002 13.395 1.00 0.00 C ATOM 469 CD GLU A 33 8.241 -0.187 13.548 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.481 0.576 12.916 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.828 -1.095 14.300 1.00 0.00 O ATOM 0 H GLU A 33 12.270 -0.371 13.222 1.00 0.00 H new ATOM 0 HA GLU A 33 11.775 0.505 10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.382 0.282 11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.363 -1.120 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.256 -0.767 13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.026 0.963 13.812 1.00 0.00 H new ATOM 478 N PHE A 34 11.312 2.883 10.613 1.00 0.00 N ATOM 479 CA PHE A 34 11.116 4.329 10.525 1.00 0.00 C ATOM 480 C PHE A 34 9.643 4.707 10.379 1.00 0.00 C ATOM 481 O PHE A 34 8.775 4.124 11.030 1.00 0.00 O ATOM 482 CB PHE A 34 11.958 4.872 9.350 1.00 0.00 C ATOM 483 CG PHE A 34 11.436 4.533 7.966 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.158 3.224 7.597 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.233 5.541 7.032 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.688 2.930 6.331 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.762 5.249 5.765 1.00 0.00 C ATOM 488 CZ PHE A 34 10.489 3.943 5.415 1.00 0.00 C ATOM 0 H PHE A 34 11.567 2.446 9.727 1.00 0.00 H new ATOM 0 HA PHE A 34 11.449 4.786 11.457 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.021 5.956 9.441 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.973 4.485 9.442 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.311 2.426 8.308 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.446 6.566 7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.476 1.907 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.608 6.043 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.120 3.714 4.426 1.00 0.00 H new ATOM 498 N GLU A 35 9.367 5.657 9.505 1.00 0.00 N ATOM 499 CA GLU A 35 8.003 6.099 9.237 1.00 0.00 C ATOM 500 C GLU A 35 7.230 5.023 8.487 1.00 0.00 C ATOM 501 O GLU A 35 6.186 4.555 8.942 1.00 0.00 O ATOM 502 CB GLU A 35 8.013 7.389 8.413 1.00 0.00 C ATOM 503 CG GLU A 35 8.722 8.549 9.092 1.00 0.00 C ATOM 504 CD GLU A 35 9.926 9.036 8.308 1.00 0.00 C ATOM 505 OE1 GLU A 35 9.734 9.574 7.198 1.00 0.00 O ATOM 506 OE2 GLU A 35 11.062 8.877 8.804 1.00 0.00 O ATOM 0 H GLU A 35 10.077 6.146 8.960 1.00 0.00 H new ATOM 0 HA GLU A 35 7.514 6.287 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.494 7.193 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.984 7.680 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.020 9.373 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.041 8.242 10.088 1.00 0.00 H new ATOM 513 N GLY A 36 7.756 4.641 7.325 1.00 0.00 N ATOM 514 CA GLY A 36 7.113 3.629 6.509 1.00 0.00 C ATOM 515 C GLY A 36 7.524 2.225 6.879 1.00 0.00 C ATOM 516 O GLY A 36 7.423 1.317 6.058 1.00 0.00 O ATOM 0 H GLY A 36 8.620 5.017 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.032 3.723 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.354 3.808 5.461 1.00 0.00 H new ATOM 520 N GLY A 37 7.977 2.030 8.114 1.00 0.00 N ATOM 521 CA GLY A 37 8.373 0.705 8.539 1.00 0.00 C ATOM 522 C GLY A 37 7.244 -0.288 8.365 1.00 0.00 C ATOM 523 O GLY A 37 7.433 -1.360 7.794 1.00 0.00 O ATOM 0 H GLY A 37 8.075 2.760 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.239 0.379 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.678 0.732 9.585 1.00 0.00 H new ATOM 527 N LYS A 38 6.062 0.073 8.855 1.00 0.00 N ATOM 528 CA LYS A 38 4.900 -0.797 8.748 1.00 0.00 C ATOM 529 C LYS A 38 3.750 -0.101 8.023 1.00 0.00 C ATOM 530 O LYS A 38 3.406 1.041 8.325 1.00 0.00 O ATOM 531 CB LYS A 38 4.445 -1.248 10.137 1.00 0.00 C ATOM 532 CG LYS A 38 3.925 -0.114 11.006 1.00 0.00 C ATOM 533 CD LYS A 38 2.425 -0.220 11.227 1.00 0.00 C ATOM 534 CE LYS A 38 1.830 1.113 11.657 1.00 0.00 C ATOM 535 NZ LYS A 38 0.426 0.969 12.132 1.00 0.00 N ATOM 0 H LYS A 38 5.886 0.959 9.328 1.00 0.00 H new ATOM 0 HA LYS A 38 5.190 -1.671 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.662 -1.999 10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.280 -1.730 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.437 -0.128 11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.157 0.841 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.943 -0.555 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.220 -0.973 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.440 1.543 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.860 1.810 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.058 1.900 12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.162 0.583 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.400 0.324 12.947 1.00 0.00 H new ATOM 549 N ALA A 39 3.161 -0.814 7.068 1.00 0.00 N ATOM 550 CA ALA A 39 2.044 -0.296 6.288 1.00 0.00 C ATOM 551 C ALA A 39 0.938 -1.341 6.197 1.00 0.00 C ATOM 552 O ALA A 39 1.190 -2.536 6.347 1.00 0.00 O ATOM 553 CB ALA A 39 2.512 0.107 4.893 1.00 0.00 C ATOM 0 H ALA A 39 3.443 -1.761 6.815 1.00 0.00 H new ATOM 0 HA ALA A 39 1.648 0.588 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.667 0.492 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.276 0.880 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.928 -0.762 4.383 1.00 0.00 H new ATOM 559 N SER A 40 -0.289 -0.890 5.963 1.00 0.00 N ATOM 560 CA SER A 40 -1.422 -1.803 5.866 1.00 0.00 C ATOM 561 C SER A 40 -2.001 -1.821 4.461 1.00 0.00 C ATOM 562 O SER A 40 -2.024 -2.859 3.801 1.00 0.00 O ATOM 563 CB SER A 40 -2.510 -1.412 6.867 1.00 0.00 C ATOM 564 OG SER A 40 -2.614 -0.004 6.987 1.00 0.00 O ATOM 0 H SER A 40 -0.524 0.095 5.838 1.00 0.00 H new ATOM 0 HA SER A 40 -1.059 -2.804 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.467 -1.824 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.285 -1.847 7.841 1.00 0.00 H new ATOM 0 HG SER A 40 -3.318 0.218 7.632 1.00 0.00 H new ATOM 570 N ASP A 41 -2.421 -0.660 3.986 1.00 0.00 N ATOM 571 CA ASP A 41 -2.947 -0.510 2.645 1.00 0.00 C ATOM 572 C ASP A 41 -1.883 0.128 1.773 1.00 0.00 C ATOM 573 O ASP A 41 -2.006 1.291 1.385 1.00 0.00 O ATOM 574 CB ASP A 41 -4.215 0.348 2.655 1.00 0.00 C ATOM 575 CG ASP A 41 -4.012 1.672 3.366 1.00 0.00 C ATOM 576 OD1 ASP A 41 -2.846 2.025 3.647 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.018 2.358 3.643 1.00 0.00 O ATOM 0 H ASP A 41 -2.405 0.206 4.524 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.211 -1.489 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.532 0.535 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.019 -0.203 3.142 1.00 0.00 H new ATOM 582 N PHE A 42 -0.847 -0.620 1.455 1.00 0.00 N ATOM 583 CA PHE A 42 0.222 -0.096 0.612 1.00 0.00 C ATOM 584 C PHE A 42 -0.067 -0.412 -0.850 1.00 0.00 C ATOM 585 O PHE A 42 0.084 -1.549 -1.291 1.00 0.00 O ATOM 586 CB PHE A 42 1.590 -0.670 1.028 1.00 0.00 C ATOM 587 CG PHE A 42 2.725 -0.298 0.098 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.604 0.788 -0.761 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.913 -1.029 0.078 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.631 1.140 -1.613 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.939 -0.675 -0.778 1.00 0.00 C ATOM 592 CZ PHE A 42 4.798 0.408 -1.623 1.00 0.00 C ATOM 0 H PHE A 42 -0.717 -1.584 1.761 1.00 0.00 H new ATOM 0 HA PHE A 42 0.262 0.986 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.828 -0.321 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.516 -1.756 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.692 1.366 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.032 -1.877 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.520 1.989 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.855 -1.248 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.602 0.681 -2.291 1.00 0.00 H new ATOM 602 N VAL A 43 -0.490 0.603 -1.595 1.00 0.00 N ATOM 603 CA VAL A 43 -0.805 0.434 -2.998 1.00 0.00 C ATOM 604 C VAL A 43 0.458 0.480 -3.857 1.00 0.00 C ATOM 605 O VAL A 43 0.961 1.552 -4.193 1.00 0.00 O ATOM 606 CB VAL A 43 -1.796 1.519 -3.457 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.181 2.909 -3.348 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.287 1.240 -4.870 1.00 0.00 C ATOM 0 H VAL A 43 -0.621 1.552 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.266 -0.546 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.659 1.490 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.905 3.654 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.907 3.105 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.291 2.963 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.986 2.020 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.439 1.228 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.789 0.273 -4.896 1.00 0.00 H new ATOM 618 N LEU A 44 0.971 -0.693 -4.202 1.00 0.00 N ATOM 619 CA LEU A 44 2.177 -0.790 -5.010 1.00 0.00 C ATOM 620 C LEU A 44 1.837 -0.821 -6.493 1.00 0.00 C ATOM 621 O LEU A 44 0.887 -1.477 -6.904 1.00 0.00 O ATOM 622 CB LEU A 44 2.970 -2.042 -4.631 1.00 0.00 C ATOM 623 CG LEU A 44 4.442 -1.796 -4.295 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.210 -3.102 -4.285 1.00 0.00 C ATOM 625 CD2 LEU A 44 5.068 -0.824 -5.286 1.00 0.00 C ATOM 0 H LEU A 44 0.569 -1.592 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 44 2.787 0.092 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.490 -2.512 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.915 -2.753 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 44 4.493 -1.353 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.255 -2.908 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.783 -3.769 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.145 -3.570 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.115 -0.664 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.002 -1.238 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.536 0.127 -5.249 1.00 0.00 H new ATOM 637 N ALA A 45 2.636 -0.117 -7.288 1.00 0.00 N ATOM 638 CA ALA A 45 2.433 -0.069 -8.730 1.00 0.00 C ATOM 639 C ALA A 45 3.426 -0.981 -9.445 1.00 0.00 C ATOM 640 O ALA A 45 4.605 -0.648 -9.567 1.00 0.00 O ATOM 641 CB ALA A 45 2.589 1.354 -9.244 1.00 0.00 C ATOM 0 H ALA A 45 3.431 0.429 -6.956 1.00 0.00 H new ATOM 0 HA ALA A 45 1.420 -0.415 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.434 1.370 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.853 1.998 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.592 1.715 -9.016 1.00 0.00 H new ATOM 647 N MET A 46 2.955 -2.129 -9.915 1.00 0.00 N ATOM 648 CA MET A 46 3.822 -3.071 -10.609 1.00 0.00 C ATOM 649 C MET A 46 4.240 -2.538 -11.972 1.00 0.00 C ATOM 650 O MET A 46 3.555 -2.748 -12.972 1.00 0.00 O ATOM 651 CB MET A 46 3.126 -4.418 -10.763 1.00 0.00 C ATOM 652 CG MET A 46 3.802 -5.526 -9.987 1.00 0.00 C ATOM 653 SD MET A 46 5.096 -6.354 -10.932 1.00 0.00 S ATOM 654 CE MET A 46 4.137 -7.119 -12.237 1.00 0.00 C ATOM 0 H MET A 46 1.984 -2.429 -9.829 1.00 0.00 H new ATOM 0 HA MET A 46 4.721 -3.202 -10.007 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.092 -4.327 -10.429 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.097 -4.687 -11.819 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.233 -5.114 -9.074 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.055 -6.259 -9.684 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.775 -7.292 -13.104 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.737 -8.070 -11.885 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.315 -6.461 -12.518 1.00 0.00 H new ATOM 664 N GLY A 47 5.380 -1.856 -11.990 1.00 0.00 N ATOM 665 CA GLY A 47 5.906 -1.297 -13.223 1.00 0.00 C ATOM 666 C GLY A 47 5.403 0.109 -13.489 1.00 0.00 C ATOM 667 O GLY A 47 4.694 0.348 -14.467 1.00 0.00 O ATOM 0 H GLY A 47 5.954 -1.679 -11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.995 -1.286 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.629 -1.942 -14.057 1.00 0.00 H new ATOM 671 N GLN A 48 5.776 1.041 -12.619 1.00 0.00 N ATOM 672 CA GLN A 48 5.366 2.433 -12.764 1.00 0.00 C ATOM 673 C GLN A 48 6.585 3.348 -12.811 1.00 0.00 C ATOM 674 O GLN A 48 6.858 3.985 -13.827 1.00 0.00 O ATOM 675 CB GLN A 48 4.447 2.836 -11.609 1.00 0.00 C ATOM 676 CG GLN A 48 3.792 4.195 -11.793 1.00 0.00 C ATOM 677 CD GLN A 48 3.963 5.094 -10.584 1.00 0.00 C ATOM 678 OE1 GLN A 48 5.030 5.129 -9.970 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.910 5.823 -10.234 1.00 0.00 N ATOM 0 H GLN A 48 6.362 0.857 -11.805 1.00 0.00 H new ATOM 0 HA GLN A 48 4.820 2.537 -13.701 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.670 2.081 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.023 2.843 -10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.219 4.684 -12.668 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.729 4.058 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.046 5.762 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.965 6.444 -9.427 1.00 0.00 H new ATOM 688 N GLY A 49 7.322 3.396 -11.705 1.00 0.00 N ATOM 689 CA GLY A 49 8.514 4.223 -11.642 1.00 0.00 C ATOM 690 C GLY A 49 9.774 3.410 -11.854 1.00 0.00 C ATOM 691 O GLY A 49 10.542 3.665 -12.783 1.00 0.00 O ATOM 0 H GLY A 49 7.115 2.877 -10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.454 5.005 -12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.561 4.720 -10.673 1.00 0.00 H new ATOM 695 N ARG A 50 9.977 2.418 -10.995 1.00 0.00 N ATOM 696 CA ARG A 50 11.140 1.541 -11.082 1.00 0.00 C ATOM 697 C ARG A 50 11.093 0.491 -9.977 1.00 0.00 C ATOM 698 O ARG A 50 11.925 0.483 -9.071 1.00 0.00 O ATOM 699 CB ARG A 50 12.440 2.348 -10.995 1.00 0.00 C ATOM 700 CG ARG A 50 12.687 2.979 -9.630 1.00 0.00 C ATOM 701 CD ARG A 50 13.983 2.478 -9.007 1.00 0.00 C ATOM 702 NE ARG A 50 15.069 2.400 -9.984 1.00 0.00 N ATOM 703 CZ ARG A 50 16.026 1.472 -9.966 1.00 0.00 C ATOM 704 NH1 ARG A 50 16.055 0.550 -9.010 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.963 1.472 -10.905 1.00 0.00 N ATOM 0 H ARG A 50 9.346 2.199 -10.224 1.00 0.00 H new ATOM 0 HA ARG A 50 11.117 1.037 -12.048 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.278 1.695 -11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.419 3.135 -11.749 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.727 4.064 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.852 2.752 -8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.275 3.143 -8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.818 1.493 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 50 15.096 3.100 -10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.341 0.548 -8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.791 -0.156 -9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.950 2.181 -11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.696 0.763 -10.894 1.00 0.00 H new ATOM 719 N MET A 51 10.104 -0.394 -10.057 1.00 0.00 N ATOM 720 CA MET A 51 9.933 -1.447 -9.062 1.00 0.00 C ATOM 721 C MET A 51 11.255 -2.140 -8.748 1.00 0.00 C ATOM 722 O MET A 51 11.842 -2.803 -9.604 1.00 0.00 O ATOM 723 CB MET A 51 8.915 -2.475 -9.540 1.00 0.00 C ATOM 724 CG MET A 51 8.566 -3.504 -8.483 1.00 0.00 C ATOM 725 SD MET A 51 6.892 -4.140 -8.655 1.00 0.00 S ATOM 726 CE MET A 51 6.000 -2.955 -7.653 1.00 0.00 C ATOM 0 H MET A 51 9.408 -0.403 -10.802 1.00 0.00 H new ATOM 0 HA MET A 51 9.568 -0.976 -8.149 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.006 -1.960 -9.851 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.309 -2.985 -10.419 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.272 -4.332 -8.542 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.680 -3.057 -7.495 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.963 -3.274 -7.550 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.460 -2.893 -6.667 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.033 -1.976 -8.131 1.00 0.00 H new ATOM 736 N ILE A 52 11.713 -1.980 -7.512 1.00 0.00 N ATOM 737 CA ILE A 52 12.966 -2.594 -7.077 1.00 0.00 C ATOM 738 C ILE A 52 12.835 -4.112 -6.988 1.00 0.00 C ATOM 739 O ILE A 52 11.728 -4.641 -6.888 1.00 0.00 O ATOM 740 CB ILE A 52 13.466 -2.047 -5.716 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.303 -1.607 -4.820 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.431 -0.893 -5.938 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.741 -1.152 -3.445 1.00 0.00 C ATOM 0 H ILE A 52 11.239 -1.433 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 52 13.703 -2.331 -7.836 1.00 0.00 H new ATOM 0 HB ILE A 52 13.987 -2.855 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.765 -0.795 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.602 -2.435 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.776 -0.517 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.285 -1.240 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.924 -0.094 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.867 -0.855 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.253 -1.969 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.418 -0.303 -3.541 1.00 0.00 H new ATOM 755 N PRO A 53 13.970 -4.832 -7.017 1.00 0.00 N ATOM 756 CA PRO A 53 13.987 -6.297 -6.937 1.00 0.00 C ATOM 757 C PRO A 53 13.255 -6.818 -5.705 1.00 0.00 C ATOM 758 O PRO A 53 12.812 -7.964 -5.671 1.00 0.00 O ATOM 759 CB PRO A 53 15.482 -6.646 -6.849 1.00 0.00 C ATOM 760 CG PRO A 53 16.171 -5.362 -6.523 1.00 0.00 C ATOM 761 CD PRO A 53 15.326 -4.279 -7.124 1.00 0.00 C ATOM 0 HA PRO A 53 13.481 -6.749 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.666 -7.396 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.845 -7.059 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.265 -5.232 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.180 -5.344 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.424 -3.340 -6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.601 -4.078 -8.159 1.00 0.00 H new ATOM 769 N GLY A 54 13.144 -5.967 -4.691 1.00 0.00 N ATOM 770 CA GLY A 54 12.478 -6.356 -3.466 1.00 0.00 C ATOM 771 C GLY A 54 10.982 -6.526 -3.627 1.00 0.00 C ATOM 772 O GLY A 54 10.432 -7.586 -3.316 1.00 0.00 O ATOM 0 H GLY A 54 13.505 -5.013 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.907 -7.292 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.671 -5.604 -2.701 1.00 0.00 H new ATOM 776 N PHE A 55 10.317 -5.475 -4.091 1.00 0.00 N ATOM 777 CA PHE A 55 8.877 -5.515 -4.263 1.00 0.00 C ATOM 778 C PHE A 55 8.468 -6.420 -5.421 1.00 0.00 C ATOM 779 O PHE A 55 7.549 -7.229 -5.285 1.00 0.00 O ATOM 780 CB PHE A 55 8.318 -4.109 -4.478 1.00 0.00 C ATOM 781 CG PHE A 55 8.327 -3.244 -3.243 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.542 -3.558 -2.137 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.129 -2.113 -3.185 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.561 -2.766 -1.012 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.146 -1.316 -2.058 1.00 0.00 C ATOM 786 CZ PHE A 55 8.362 -1.643 -0.972 1.00 0.00 C ATOM 0 H PHE A 55 10.752 -4.591 -4.353 1.00 0.00 H new ATOM 0 HA PHE A 55 8.457 -5.930 -3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.898 -3.615 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.294 -4.189 -4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.911 -4.434 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.747 -1.853 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.949 -3.023 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.773 -0.437 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.375 -1.020 -0.090 1.00 0.00 H new ATOM 796 N GLU A 56 9.144 -6.290 -6.558 1.00 0.00 N ATOM 797 CA GLU A 56 8.826 -7.112 -7.722 1.00 0.00 C ATOM 798 C GLU A 56 8.850 -8.594 -7.359 1.00 0.00 C ATOM 799 O GLU A 56 8.232 -9.415 -8.033 1.00 0.00 O ATOM 800 CB GLU A 56 9.803 -6.847 -8.870 1.00 0.00 C ATOM 801 CG GLU A 56 11.228 -7.281 -8.577 1.00 0.00 C ATOM 802 CD GLU A 56 12.053 -7.454 -9.836 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.759 -8.385 -10.615 1.00 0.00 O ATOM 804 OE2 GLU A 56 12.991 -6.657 -10.047 1.00 0.00 O ATOM 0 H GLU A 56 9.909 -5.630 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 56 7.822 -6.841 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.451 -7.367 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.798 -5.782 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.704 -6.542 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.212 -8.221 -8.025 1.00 0.00 H new ATOM 811 N ASP A 57 9.569 -8.929 -6.293 1.00 0.00 N ATOM 812 CA ASP A 57 9.669 -10.310 -5.849 1.00 0.00 C ATOM 813 C ASP A 57 8.398 -10.749 -5.127 1.00 0.00 C ATOM 814 O ASP A 57 7.581 -11.482 -5.685 1.00 0.00 O ATOM 815 CB ASP A 57 10.886 -10.491 -4.938 1.00 0.00 C ATOM 816 CG ASP A 57 11.551 -11.840 -5.124 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.283 -12.008 -6.122 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.343 -12.727 -4.270 1.00 0.00 O ATOM 0 H ASP A 57 10.090 -8.262 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 57 9.792 -10.939 -6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.609 -9.701 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.578 -10.381 -3.898 1.00 0.00 H new ATOM 823 N GLY A 58 8.246 -10.323 -3.877 1.00 0.00 N ATOM 824 CA GLY A 58 7.085 -10.713 -3.100 1.00 0.00 C ATOM 825 C GLY A 58 5.804 -10.110 -3.626 1.00 0.00 C ATOM 826 O GLY A 58 4.823 -10.818 -3.858 1.00 0.00 O ATOM 0 H GLY A 58 8.905 -9.716 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.999 -11.800 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.227 -10.408 -2.063 1.00 0.00 H new ATOM 830 N ILE A 59 5.811 -8.799 -3.802 1.00 0.00 N ATOM 831 CA ILE A 59 4.663 -8.073 -4.285 1.00 0.00 C ATOM 832 C ILE A 59 4.572 -8.115 -5.798 1.00 0.00 C ATOM 833 O ILE A 59 4.172 -7.149 -6.448 1.00 0.00 O ATOM 834 CB ILE A 59 4.725 -6.618 -3.806 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.134 -6.557 -2.331 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.377 -5.964 -4.002 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.607 -6.746 -2.063 1.00 0.00 C ATOM 0 H ILE A 59 6.622 -8.211 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 59 3.771 -8.553 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 59 5.473 -6.083 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.828 -5.592 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.581 -7.322 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.421 -4.930 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.112 -5.987 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.624 -6.503 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.792 -6.686 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.921 -7.723 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.173 -5.966 -2.573 1.00 0.00 H new ATOM 849 N LYS A 60 4.880 -9.282 -6.327 1.00 0.00 N ATOM 850 CA LYS A 60 4.757 -9.501 -7.757 1.00 0.00 C ATOM 851 C LYS A 60 3.346 -9.058 -8.143 1.00 0.00 C ATOM 852 O LYS A 60 3.139 -8.286 -9.078 1.00 0.00 O ATOM 853 CB LYS A 60 4.982 -10.970 -8.118 1.00 0.00 C ATOM 854 CG LYS A 60 6.369 -11.244 -8.670 1.00 0.00 C ATOM 855 CD LYS A 60 6.397 -12.491 -9.541 1.00 0.00 C ATOM 856 CE LYS A 60 7.332 -13.551 -8.974 1.00 0.00 C ATOM 857 NZ LYS A 60 8.713 -13.030 -8.761 1.00 0.00 N ATOM 0 H LYS A 60 5.214 -10.087 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 60 5.513 -8.933 -8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.823 -11.584 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.238 -11.275 -8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.703 -10.386 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.071 -11.362 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.390 -12.900 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.717 -12.225 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.933 -13.916 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.368 -14.402 -9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.400 -13.797 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.902 -12.262 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.801 -12.667 -7.790 1.00 0.00 H new ATOM 871 N GLY A 61 2.387 -9.611 -7.409 1.00 0.00 N ATOM 872 CA GLY A 61 0.985 -9.352 -7.641 1.00 0.00 C ATOM 873 C GLY A 61 0.326 -10.585 -8.203 1.00 0.00 C ATOM 874 O GLY A 61 -0.429 -10.535 -9.171 1.00 0.00 O ATOM 0 H GLY A 61 2.568 -10.252 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.500 -9.062 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.869 -8.518 -8.334 1.00 0.00 H new ATOM 878 N HIS A 62 0.654 -11.706 -7.582 1.00 0.00 N ATOM 879 CA HIS A 62 0.134 -13.002 -8.013 1.00 0.00 C ATOM 880 C HIS A 62 -0.580 -13.752 -6.891 1.00 0.00 C ATOM 881 O HIS A 62 -1.372 -14.656 -7.152 1.00 0.00 O ATOM 882 CB HIS A 62 1.272 -13.868 -8.565 1.00 0.00 C ATOM 883 CG HIS A 62 2.331 -14.215 -7.558 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.122 -15.338 -7.661 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.736 -13.580 -6.428 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.966 -15.382 -6.644 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.753 -14.326 -5.883 1.00 0.00 N ATOM 0 H HIS A 62 1.278 -11.749 -6.777 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.601 -12.805 -8.793 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.850 -14.791 -8.963 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.739 -13.345 -9.400 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.333 -12.660 -6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.703 -16.151 -6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.261 -14.100 -5.028 1.00 0.00 H new ATOM 895 N LYS A 63 -0.295 -13.390 -5.647 1.00 0.00 N ATOM 896 CA LYS A 63 -0.917 -14.058 -4.510 1.00 0.00 C ATOM 897 C LYS A 63 -1.761 -13.092 -3.683 1.00 0.00 C ATOM 898 O LYS A 63 -1.308 -12.578 -2.660 1.00 0.00 O ATOM 899 CB LYS A 63 0.153 -14.691 -3.625 1.00 0.00 C ATOM 900 CG LYS A 63 0.535 -16.102 -4.034 1.00 0.00 C ATOM 901 CD LYS A 63 1.974 -16.414 -3.660 1.00 0.00 C ATOM 902 CE LYS A 63 2.524 -17.575 -4.472 1.00 0.00 C ATOM 903 NZ LYS A 63 2.609 -18.823 -3.666 1.00 0.00 N ATOM 0 H LYS A 63 0.356 -12.645 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.576 -14.833 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.044 -14.064 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.204 -14.706 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.132 -16.816 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.403 -16.220 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.592 -15.531 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.031 -16.653 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.887 -17.746 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.514 -17.318 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.989 -19.591 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.237 -18.668 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.661 -19.083 -3.327 1.00 0.00 H new ATOM 917 N ALA A 64 -3.002 -12.879 -4.108 1.00 0.00 N ATOM 918 CA ALA A 64 -3.918 -12.012 -3.382 1.00 0.00 C ATOM 919 C ALA A 64 -4.152 -12.528 -1.959 1.00 0.00 C ATOM 920 O ALA A 64 -4.994 -13.401 -1.743 1.00 0.00 O ATOM 921 CB ALA A 64 -5.236 -11.892 -4.132 1.00 0.00 C ATOM 0 H ALA A 64 -3.395 -13.296 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.466 -11.023 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.912 -11.241 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.055 -11.470 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.687 -12.879 -4.236 1.00 0.00 H new ATOM 927 N GLY A 65 -3.412 -11.989 -0.994 1.00 0.00 N ATOM 928 CA GLY A 65 -3.571 -12.415 0.389 1.00 0.00 C ATOM 929 C GLY A 65 -2.404 -13.254 0.883 1.00 0.00 C ATOM 930 O GLY A 65 -2.585 -14.165 1.691 1.00 0.00 O ATOM 0 H GLY A 65 -2.707 -11.267 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.676 -11.536 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.492 -12.990 0.484 1.00 0.00 H new ATOM 934 N GLU A 66 -1.209 -12.946 0.396 1.00 0.00 N ATOM 935 CA GLU A 66 -0.004 -13.675 0.784 1.00 0.00 C ATOM 936 C GLU A 66 0.777 -12.936 1.867 1.00 0.00 C ATOM 937 O GLU A 66 0.608 -11.732 2.052 1.00 0.00 O ATOM 938 CB GLU A 66 0.886 -13.883 -0.441 1.00 0.00 C ATOM 939 CG GLU A 66 2.088 -14.785 -0.200 1.00 0.00 C ATOM 940 CD GLU A 66 3.048 -14.795 -1.374 1.00 0.00 C ATOM 941 OE1 GLU A 66 2.991 -13.857 -2.196 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.858 -15.742 -1.470 1.00 0.00 O ATOM 0 H GLU A 66 -1.046 -12.193 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.310 -14.639 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.284 -14.308 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.240 -12.912 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.615 -14.452 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.744 -15.801 -0.007 1.00 0.00 H new ATOM 949 N GLU A 67 1.648 -13.666 2.559 1.00 0.00 N ATOM 950 CA GLU A 67 2.489 -13.092 3.603 1.00 0.00 C ATOM 951 C GLU A 67 3.943 -13.489 3.364 1.00 0.00 C ATOM 952 O GLU A 67 4.307 -14.657 3.497 1.00 0.00 O ATOM 953 CB GLU A 67 2.030 -13.553 4.988 1.00 0.00 C ATOM 954 CG GLU A 67 1.906 -15.062 5.116 1.00 0.00 C ATOM 955 CD GLU A 67 0.495 -15.506 5.449 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.422 -15.215 4.653 1.00 0.00 O ATOM 957 OE2 GLU A 67 0.307 -16.144 6.506 1.00 0.00 O ATOM 0 H GLU A 67 1.789 -14.665 2.413 1.00 0.00 H new ATOM 0 HA GLU A 67 2.402 -12.006 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.736 -13.190 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.066 -13.097 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.219 -15.529 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.586 -15.414 5.892 1.00 0.00 H new ATOM 964 N PHE A 68 4.757 -12.518 2.970 1.00 0.00 N ATOM 965 CA PHE A 68 6.164 -12.766 2.663 1.00 0.00 C ATOM 966 C PHE A 68 7.050 -11.623 3.142 1.00 0.00 C ATOM 967 O PHE A 68 6.562 -10.543 3.479 1.00 0.00 O ATOM 968 CB PHE A 68 6.324 -12.930 1.158 1.00 0.00 C ATOM 969 CG PHE A 68 5.705 -11.793 0.413 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.361 -10.578 0.327 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.458 -11.925 -0.172 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.787 -9.514 -0.336 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.877 -10.865 -0.836 1.00 0.00 C ATOM 974 CZ PHE A 68 4.541 -9.660 -0.919 1.00 0.00 C ATOM 0 H PHE A 68 4.468 -11.547 2.855 1.00 0.00 H new ATOM 0 HA PHE A 68 6.473 -13.674 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.383 -12.995 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.864 -13.866 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.333 -10.462 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.934 -12.867 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.308 -8.570 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.904 -10.979 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.088 -8.829 -1.440 1.00 0.00 H new ATOM 984 N THR A 69 8.358 -11.860 3.161 1.00 0.00 N ATOM 985 CA THR A 69 9.312 -10.843 3.584 1.00 0.00 C ATOM 986 C THR A 69 10.372 -10.612 2.514 1.00 0.00 C ATOM 987 O THR A 69 10.988 -11.562 2.031 1.00 0.00 O ATOM 988 CB THR A 69 9.978 -11.248 4.901 1.00 0.00 C ATOM 989 OG1 THR A 69 9.016 -11.726 5.823 1.00 0.00 O ATOM 990 CG2 THR A 69 10.730 -10.116 5.567 1.00 0.00 C ATOM 0 H THR A 69 8.780 -12.747 2.888 1.00 0.00 H new ATOM 0 HA THR A 69 8.765 -9.912 3.735 1.00 0.00 H new ATOM 0 HB THR A 69 10.692 -12.028 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.461 -11.981 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.177 -10.473 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.515 -9.758 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.041 -9.301 5.786 1.00 0.00 H new ATOM 998 N ILE A 70 10.585 -9.349 2.139 1.00 0.00 N ATOM 999 CA ILE A 70 11.579 -9.032 1.122 1.00 0.00 C ATOM 1000 C ILE A 70 12.435 -7.850 1.542 1.00 0.00 C ATOM 1001 O ILE A 70 12.071 -7.094 2.442 1.00 0.00 O ATOM 1002 CB ILE A 70 10.921 -8.724 -0.240 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.059 -7.456 -0.157 1.00 0.00 C ATOM 1004 CG2 ILE A 70 10.094 -9.911 -0.710 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.804 -7.614 0.675 1.00 0.00 C ATOM 0 H ILE A 70 10.089 -8.543 2.520 1.00 0.00 H new ATOM 0 HA ILE A 70 12.211 -9.914 1.015 1.00 0.00 H new ATOM 0 HB ILE A 70 11.711 -8.545 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.660 -6.648 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.777 -7.155 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.637 -9.678 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.738 -10.784 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.314 -10.123 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.252 -6.674 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.180 -8.398 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.076 -7.884 1.696 1.00 0.00 H new ATOM 1017 N ASP A 71 13.552 -7.667 0.851 1.00 0.00 N ATOM 1018 CA ASP A 71 14.436 -6.546 1.117 1.00 0.00 C ATOM 1019 C ASP A 71 14.084 -5.424 0.155 1.00 0.00 C ATOM 1020 O ASP A 71 13.727 -5.689 -0.990 1.00 0.00 O ATOM 1021 CB ASP A 71 15.899 -6.956 0.941 1.00 0.00 C ATOM 1022 CG ASP A 71 16.171 -7.560 -0.424 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.488 -6.796 -1.360 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.068 -8.798 -0.557 1.00 0.00 O ATOM 0 H ASP A 71 13.866 -8.283 0.101 1.00 0.00 H new ATOM 0 HA ASP A 71 14.308 -6.213 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.537 -6.084 1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.167 -7.676 1.714 1.00 0.00 H new ATOM 1029 N VAL A 72 14.193 -4.179 0.590 1.00 0.00 N ATOM 1030 CA VAL A 72 13.885 -3.061 -0.293 1.00 0.00 C ATOM 1031 C VAL A 72 14.761 -1.854 0.005 1.00 0.00 C ATOM 1032 O VAL A 72 14.953 -1.482 1.160 1.00 0.00 O ATOM 1033 CB VAL A 72 12.403 -2.643 -0.206 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.547 -3.537 -1.089 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.911 -2.670 1.235 1.00 0.00 C ATOM 0 H VAL A 72 14.487 -3.918 1.531 1.00 0.00 H new ATOM 0 HA VAL A 72 14.090 -3.412 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 72 12.316 -1.618 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.504 -3.229 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.879 -3.452 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.643 -4.572 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.863 -2.371 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.013 -3.679 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.504 -1.980 1.835 1.00 0.00 H new ATOM 1045 N THR A 73 15.273 -1.228 -1.046 1.00 0.00 N ATOM 1046 CA THR A 73 16.111 -0.048 -0.915 1.00 0.00 C ATOM 1047 C THR A 73 15.886 0.832 -2.137 1.00 0.00 C ATOM 1048 O THR A 73 16.044 0.378 -3.269 1.00 0.00 O ATOM 1049 CB THR A 73 17.589 -0.443 -0.802 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.867 -0.978 0.480 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.549 0.708 -1.035 1.00 0.00 C ATOM 0 H THR A 73 15.119 -1.524 -2.010 1.00 0.00 H new ATOM 0 HA THR A 73 15.846 0.496 -0.008 1.00 0.00 H new ATOM 0 HB THR A 73 17.745 -1.183 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.027 -1.123 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.575 0.352 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.397 1.111 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.366 1.490 -0.298 1.00 0.00 H new ATOM 1059 N PHE A 74 15.497 2.079 -1.916 1.00 0.00 N ATOM 1060 CA PHE A 74 15.234 2.986 -3.019 1.00 0.00 C ATOM 1061 C PHE A 74 16.513 3.665 -3.508 1.00 0.00 C ATOM 1062 O PHE A 74 17.280 4.208 -2.712 1.00 0.00 O ATOM 1063 CB PHE A 74 14.188 4.009 -2.601 1.00 0.00 C ATOM 1064 CG PHE A 74 12.825 3.397 -2.445 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.598 2.402 -1.504 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.776 3.807 -3.247 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.344 1.832 -1.369 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.522 3.243 -3.118 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.305 2.255 -2.179 1.00 0.00 C ATOM 0 H PHE A 74 15.358 2.482 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 74 14.846 2.408 -3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.488 4.468 -1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.144 4.805 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.408 2.070 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.940 4.579 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.177 1.059 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.712 3.575 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.325 1.812 -2.077 1.00 0.00 H new ATOM 1079 N PRO A 75 16.764 3.631 -4.830 1.00 0.00 N ATOM 1080 CA PRO A 75 17.962 4.234 -5.427 1.00 0.00 C ATOM 1081 C PRO A 75 17.957 5.756 -5.362 1.00 0.00 C ATOM 1082 O PRO A 75 17.017 6.367 -4.854 1.00 0.00 O ATOM 1083 CB PRO A 75 17.905 3.771 -6.885 1.00 0.00 C ATOM 1084 CG PRO A 75 16.462 3.510 -7.141 1.00 0.00 C ATOM 1085 CD PRO A 75 15.904 2.994 -5.847 1.00 0.00 C ATOM 0 HA PRO A 75 18.865 3.933 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.295 4.534 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.504 2.873 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.949 4.420 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.332 2.781 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.858 3.272 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.954 1.907 -5.792 1.00 0.00 H new ATOM 1093 N GLU A 76 19.018 6.362 -5.887 1.00 0.00 N ATOM 1094 CA GLU A 76 19.149 7.813 -5.901 1.00 0.00 C ATOM 1095 C GLU A 76 18.253 8.439 -6.970 1.00 0.00 C ATOM 1096 O GLU A 76 18.069 9.655 -7.000 1.00 0.00 O ATOM 1097 CB GLU A 76 20.607 8.209 -6.147 1.00 0.00 C ATOM 1098 CG GLU A 76 21.426 8.347 -4.874 1.00 0.00 C ATOM 1099 CD GLU A 76 22.024 9.732 -4.710 1.00 0.00 C ATOM 1100 OE1 GLU A 76 21.327 10.720 -5.023 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.187 9.829 -4.267 1.00 0.00 O ATOM 0 H GLU A 76 19.803 5.866 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 76 18.832 8.188 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.074 7.462 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.631 9.155 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.794 8.124 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.227 7.608 -4.880 1.00 0.00 H new ATOM 1108 N GLU A 77 17.701 7.603 -7.849 1.00 0.00 N ATOM 1109 CA GLU A 77 16.831 8.085 -8.915 1.00 0.00 C ATOM 1110 C GLU A 77 15.382 8.175 -8.442 1.00 0.00 C ATOM 1111 O GLU A 77 14.627 9.040 -8.887 1.00 0.00 O ATOM 1112 CB GLU A 77 16.932 7.174 -10.143 1.00 0.00 C ATOM 1113 CG GLU A 77 16.630 5.711 -9.854 1.00 0.00 C ATOM 1114 CD GLU A 77 16.822 4.829 -11.072 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.975 4.438 -11.346 1.00 0.00 O ATOM 1116 OE2 GLU A 77 15.817 4.527 -11.751 1.00 0.00 O ATOM 0 H GLU A 77 17.842 6.593 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 77 17.162 9.086 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.242 7.533 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.937 7.252 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.278 5.361 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.603 5.618 -9.500 1.00 0.00 H new ATOM 1123 N TYR A 78 15.000 7.285 -7.530 1.00 0.00 N ATOM 1124 CA TYR A 78 13.643 7.275 -6.990 1.00 0.00 C ATOM 1125 C TYR A 78 13.416 8.494 -6.103 1.00 0.00 C ATOM 1126 O TYR A 78 12.671 9.407 -6.458 1.00 0.00 O ATOM 1127 CB TYR A 78 13.404 5.995 -6.184 1.00 0.00 C ATOM 1128 CG TYR A 78 11.950 5.600 -6.080 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.062 6.312 -5.277 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.466 4.508 -6.785 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.734 5.941 -5.185 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.142 4.133 -6.699 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.278 4.852 -5.899 1.00 0.00 C ATOM 1134 OH TYR A 78 7.956 4.481 -5.812 1.00 0.00 O ATOM 0 H TYR A 78 15.610 6.562 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 78 12.940 7.308 -7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.960 5.178 -6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.807 6.129 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.416 7.166 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.138 3.941 -7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.056 6.501 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.783 3.280 -7.256 1.00 0.00 H new ATOM 0 HH TYR A 78 7.799 3.696 -6.377 1.00 0.00 H new ATOM 1144 N HIS A 79 14.082 8.494 -4.954 1.00 0.00 N ATOM 1145 CA HIS A 79 14.000 9.583 -3.987 1.00 0.00 C ATOM 1146 C HIS A 79 12.609 10.221 -3.912 1.00 0.00 C ATOM 1147 O HIS A 79 12.395 11.326 -4.411 1.00 0.00 O ATOM 1148 CB HIS A 79 15.054 10.640 -4.305 1.00 0.00 C ATOM 1149 CG HIS A 79 16.412 10.271 -3.794 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.442 11.175 -3.653 1.00 0.00 N ATOM 1151 CD2 HIS A 79 16.901 9.078 -3.377 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.507 10.558 -3.173 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.204 9.284 -2.996 1.00 0.00 N ATOM 0 H HIS A 79 14.698 7.734 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 79 14.192 9.150 -3.005 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.103 10.786 -5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.752 11.592 -3.868 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.366 8.140 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.462 11.016 -2.961 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.836 8.569 -2.635 1.00 0.00 H new ATOM 1161 N ALA A 80 11.670 9.526 -3.266 1.00 0.00 N ATOM 1162 CA ALA A 80 10.313 10.035 -3.105 1.00 0.00 C ATOM 1163 C ALA A 80 10.220 10.944 -1.881 1.00 0.00 C ATOM 1164 O ALA A 80 10.851 10.692 -0.857 1.00 0.00 O ATOM 1165 CB ALA A 80 9.321 8.886 -2.994 1.00 0.00 C ATOM 0 H ALA A 80 11.828 8.609 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 80 10.061 10.623 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.314 9.285 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.366 8.278 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.572 8.271 -2.130 1.00 0.00 H new ATOM 1171 N GLU A 81 9.440 12.010 -1.998 1.00 0.00 N ATOM 1172 CA GLU A 81 9.275 12.976 -0.912 1.00 0.00 C ATOM 1173 C GLU A 81 9.034 12.316 0.450 1.00 0.00 C ATOM 1174 O GLU A 81 9.345 12.904 1.486 1.00 0.00 O ATOM 1175 CB GLU A 81 8.109 13.915 -1.226 1.00 0.00 C ATOM 1176 CG GLU A 81 8.420 14.935 -2.308 1.00 0.00 C ATOM 1177 CD GLU A 81 7.443 14.871 -3.467 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.393 15.543 -3.397 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.730 14.147 -4.444 1.00 0.00 O ATOM 0 H GLU A 81 8.907 12.232 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 81 10.211 13.530 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.249 13.321 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.822 14.441 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.400 15.935 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.431 14.768 -2.680 1.00 0.00 H new ATOM 1186 N ASN A 82 8.446 11.124 0.456 1.00 0.00 N ATOM 1187 CA ASN A 82 8.136 10.447 1.716 1.00 0.00 C ATOM 1188 C ASN A 82 9.206 9.445 2.162 1.00 0.00 C ATOM 1189 O ASN A 82 9.455 9.303 3.359 1.00 0.00 O ATOM 1190 CB ASN A 82 6.782 9.742 1.614 1.00 0.00 C ATOM 1191 CG ASN A 82 6.689 8.827 0.409 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.010 9.138 -0.570 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.370 7.694 0.478 1.00 0.00 N ATOM 0 H ASN A 82 8.177 10.611 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 82 8.106 11.227 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.610 9.161 2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.991 10.490 1.559 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.346 7.036 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.919 7.479 1.310 1.00 0.00 H new ATOM 1200 N LEU A 83 9.815 8.725 1.223 1.00 0.00 N ATOM 1201 CA LEU A 83 10.819 7.721 1.588 1.00 0.00 C ATOM 1202 C LEU A 83 12.066 7.773 0.708 1.00 0.00 C ATOM 1203 O LEU A 83 12.821 6.811 0.631 1.00 0.00 O ATOM 1204 CB LEU A 83 10.190 6.322 1.554 1.00 0.00 C ATOM 1205 CG LEU A 83 10.063 5.634 0.179 1.00 0.00 C ATOM 1206 CD1 LEU A 83 9.932 6.621 -0.974 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.244 4.728 -0.059 1.00 0.00 C ATOM 0 H LEU A 83 9.638 8.812 0.222 1.00 0.00 H new ATOM 0 HA LEU A 83 11.151 7.951 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.778 5.673 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.193 6.390 1.990 1.00 0.00 H new ATOM 0 HG LEU A 83 9.142 5.052 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.846 6.074 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.043 7.234 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.813 7.262 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.144 4.248 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.163 5.314 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.281 3.966 0.720 1.00 0.00 H new ATOM 1219 N LYS A 84 12.277 8.896 0.052 1.00 0.00 N ATOM 1220 CA LYS A 84 13.434 9.079 -0.828 1.00 0.00 C ATOM 1221 C LYS A 84 14.698 8.393 -0.300 1.00 0.00 C ATOM 1222 O LYS A 84 15.072 8.557 0.862 1.00 0.00 O ATOM 1223 CB LYS A 84 13.713 10.569 -1.037 1.00 0.00 C ATOM 1224 CG LYS A 84 13.982 11.321 0.258 1.00 0.00 C ATOM 1225 CD LYS A 84 13.084 12.539 0.396 1.00 0.00 C ATOM 1226 CE LYS A 84 13.511 13.658 -0.541 1.00 0.00 C ATOM 1227 NZ LYS A 84 12.601 13.779 -1.716 1.00 0.00 N ATOM 0 H LYS A 84 11.661 9.708 0.107 1.00 0.00 H new ATOM 0 HA LYS A 84 13.178 8.608 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.572 10.681 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.861 11.023 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.824 10.654 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.026 11.633 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.053 12.258 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.110 12.896 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.527 14.602 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.528 13.473 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.166 13.888 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.014 12.923 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.987 14.610 -1.596 1.00 0.00 H new ATOM 1241 N GLY A 85 15.353 7.631 -1.179 1.00 0.00 N ATOM 1242 CA GLY A 85 16.577 6.930 -0.814 1.00 0.00 C ATOM 1243 C GLY A 85 16.467 6.182 0.500 1.00 0.00 C ATOM 1244 O GLY A 85 17.330 6.312 1.368 1.00 0.00 O ATOM 0 H GLY A 85 15.054 7.487 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.835 6.226 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.394 7.649 -0.748 1.00 0.00 H new ATOM 1248 N LYS A 86 15.404 5.401 0.650 1.00 0.00 N ATOM 1249 CA LYS A 86 15.186 4.638 1.870 1.00 0.00 C ATOM 1250 C LYS A 86 15.620 3.182 1.718 1.00 0.00 C ATOM 1251 O LYS A 86 14.864 2.349 1.222 1.00 0.00 O ATOM 1252 CB LYS A 86 13.714 4.705 2.279 1.00 0.00 C ATOM 1253 CG LYS A 86 13.450 4.313 3.724 1.00 0.00 C ATOM 1254 CD LYS A 86 13.429 2.805 3.909 1.00 0.00 C ATOM 1255 CE LYS A 86 12.210 2.169 3.259 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.499 1.652 1.891 1.00 0.00 N ATOM 0 H LYS A 86 14.680 5.280 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 86 15.801 5.087 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.349 5.719 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.137 4.051 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.219 4.746 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.496 4.731 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.334 2.374 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.437 2.570 4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.853 1.351 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.406 2.903 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.798 2.029 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.451 1.952 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.450 0.613 1.895 1.00 0.00 H new ATOM 1270 N ALA A 87 16.825 2.877 2.182 1.00 0.00 N ATOM 1271 CA ALA A 87 17.341 1.514 2.138 1.00 0.00 C ATOM 1272 C ALA A 87 16.888 0.770 3.389 1.00 0.00 C ATOM 1273 O ALA A 87 17.391 1.029 4.481 1.00 0.00 O ATOM 1274 CB ALA A 87 18.859 1.521 2.037 1.00 0.00 C ATOM 0 H ALA A 87 17.465 3.556 2.594 1.00 0.00 H new ATOM 0 HA ALA A 87 16.951 1.006 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.226 0.495 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.161 2.043 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.279 2.030 2.904 1.00 0.00 H new ATOM 1280 N ALA A 88 15.911 -0.122 3.242 1.00 0.00 N ATOM 1281 CA ALA A 88 15.385 -0.840 4.399 1.00 0.00 C ATOM 1282 C ALA A 88 15.002 -2.288 4.103 1.00 0.00 C ATOM 1283 O ALA A 88 15.293 -2.838 3.042 1.00 0.00 O ATOM 1284 CB ALA A 88 14.182 -0.083 4.950 1.00 0.00 C ATOM 0 H ALA A 88 15.475 -0.361 2.352 1.00 0.00 H new ATOM 0 HA ALA A 88 16.187 -0.887 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.783 -0.613 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.489 0.919 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.413 -0.013 4.181 1.00 0.00 H new ATOM 1290 N LYS A 89 14.323 -2.877 5.079 1.00 0.00 N ATOM 1291 CA LYS A 89 13.839 -4.243 5.007 1.00 0.00 C ATOM 1292 C LYS A 89 12.354 -4.225 5.334 1.00 0.00 C ATOM 1293 O LYS A 89 11.945 -3.543 6.271 1.00 0.00 O ATOM 1294 CB LYS A 89 14.598 -5.134 5.995 1.00 0.00 C ATOM 1295 CG LYS A 89 16.108 -5.124 5.798 1.00 0.00 C ATOM 1296 CD LYS A 89 16.756 -3.910 6.452 1.00 0.00 C ATOM 1297 CE LYS A 89 17.149 -4.193 7.894 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.619 -4.381 8.044 1.00 0.00 N ATOM 0 H LYS A 89 14.091 -2.409 5.955 1.00 0.00 H new ATOM 0 HA LYS A 89 14.001 -4.651 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.371 -4.809 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.235 -6.157 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.535 -6.035 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.336 -5.127 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.640 -3.619 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.065 -3.067 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.822 -3.368 8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.632 -5.087 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.845 -4.572 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.928 -5.184 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.112 -3.519 7.736 1.00 0.00 H new ATOM 1312 N PHE A 90 11.552 -5.000 4.612 1.00 0.00 N ATOM 1313 CA PHE A 90 10.114 -5.068 4.896 1.00 0.00 C ATOM 1314 C PHE A 90 9.595 -6.484 4.831 1.00 0.00 C ATOM 1315 O PHE A 90 10.146 -7.331 4.129 1.00 0.00 O ATOM 1316 CB PHE A 90 9.259 -4.318 3.874 1.00 0.00 C ATOM 1317 CG PHE A 90 9.566 -2.881 3.627 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.354 -2.136 4.483 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.017 -2.275 2.519 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.596 -0.800 4.231 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.247 -0.937 2.261 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.039 -0.199 3.119 1.00 0.00 C ATOM 0 H PHE A 90 11.862 -5.584 3.836 1.00 0.00 H new ATOM 0 HA PHE A 90 10.029 -4.628 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.337 -4.845 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.219 -4.388 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.784 -2.603 5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.401 -2.851 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.219 -0.227 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.809 -0.470 1.391 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.223 0.847 2.921 1.00 0.00 H new ATOM 1332 N ALA A 91 8.463 -6.705 5.479 1.00 0.00 N ATOM 1333 CA ALA A 91 7.784 -7.972 5.411 1.00 0.00 C ATOM 1334 C ALA A 91 6.380 -7.632 4.946 1.00 0.00 C ATOM 1335 O ALA A 91 5.576 -7.091 5.701 1.00 0.00 O ATOM 1336 CB ALA A 91 7.773 -8.674 6.762 1.00 0.00 C ATOM 0 H ALA A 91 7.997 -6.010 6.062 1.00 0.00 H new ATOM 0 HA ALA A 91 8.281 -8.666 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.252 -9.627 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.798 -8.850 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.261 -8.048 7.493 1.00 0.00 H new ATOM 1342 N ILE A 92 6.132 -7.878 3.665 1.00 0.00 N ATOM 1343 CA ILE A 92 4.867 -7.519 3.046 1.00 0.00 C ATOM 1344 C ILE A 92 3.879 -8.681 3.004 1.00 0.00 C ATOM 1345 O ILE A 92 4.258 -9.851 2.956 1.00 0.00 O ATOM 1346 CB ILE A 92 5.110 -7.005 1.587 1.00 0.00 C ATOM 1347 CG1 ILE A 92 5.650 -5.567 1.547 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.853 -7.076 0.732 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.924 -5.353 2.303 1.00 0.00 C ATOM 0 H ILE A 92 6.796 -8.327 3.034 1.00 0.00 H new ATOM 0 HA ILE A 92 4.430 -6.733 3.662 1.00 0.00 H new ATOM 0 HB ILE A 92 5.864 -7.676 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.809 -5.283 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.889 -4.897 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.073 -6.709 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.511 -8.109 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.073 -6.461 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.227 -4.309 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.770 -5.601 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 92 7.704 -5.992 1.890 1.00 0.00 H new ATOM 1361 N ASN A 93 2.603 -8.316 2.965 1.00 0.00 N ATOM 1362 CA ASN A 93 1.511 -9.273 2.860 1.00 0.00 C ATOM 1363 C ASN A 93 0.614 -8.860 1.695 1.00 0.00 C ATOM 1364 O ASN A 93 -0.136 -7.889 1.796 1.00 0.00 O ATOM 1365 CB ASN A 93 0.701 -9.328 4.160 1.00 0.00 C ATOM 1366 CG ASN A 93 1.547 -9.713 5.358 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.265 -10.713 5.331 1.00 0.00 O ATOM 1368 ND2 ASN A 93 1.464 -8.920 6.420 1.00 0.00 N ATOM 0 H ASN A 93 2.297 -7.344 3.006 1.00 0.00 H new ATOM 0 HA ASN A 93 1.919 -10.268 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.244 -8.355 4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.111 -10.046 4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.008 -9.130 7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.856 -8.101 6.399 1.00 0.00 H new ATOM 1375 N LEU A 94 0.720 -9.571 0.574 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.058 -9.239 -0.619 1.00 0.00 C ATOM 1377 C LEU A 94 -1.555 -9.388 -0.399 1.00 0.00 C ATOM 1378 O LEU A 94 -1.995 -10.194 0.420 1.00 0.00 O ATOM 1379 CB LEU A 94 0.374 -10.098 -1.803 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.021 -9.540 -3.172 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.733 -8.250 -3.459 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.235 -10.569 -4.263 1.00 0.00 C ATOM 0 H LEU A 94 1.335 -10.378 0.466 1.00 0.00 H new ATOM 0 HA LEU A 94 0.142 -8.190 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.457 -10.217 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.059 -11.092 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.088 -9.316 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.440 -7.867 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.495 -7.511 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.805 -8.446 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.052 -10.154 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.294 -10.827 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.353 -11.465 -4.064 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.338 -8.614 -1.157 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.790 -8.666 -1.062 1.00 0.00 C ATOM 1396 C LYS A 95 -4.443 -8.352 -2.419 1.00 0.00 C ATOM 1397 O LYS A 95 -4.409 -9.174 -3.332 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.300 -7.704 0.023 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.022 -8.173 1.443 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.308 -8.362 2.236 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.483 -9.808 2.673 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.296 -9.921 3.916 1.00 0.00 N ATOM 0 H LYS A 95 -1.985 -7.946 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.072 -9.680 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.837 -6.728 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.375 -7.569 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.471 -9.113 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.386 -7.446 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.295 -7.714 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.160 -8.058 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.963 -10.373 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.504 -10.258 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.391 -10.923 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.826 -9.404 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.239 -9.515 3.752 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.078 -7.187 -2.533 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.774 -6.822 -3.760 1.00 0.00 C ATOM 1418 C LYS A 96 -4.820 -6.442 -4.887 1.00 0.00 C ATOM 1419 O LYS A 96 -4.280 -5.336 -4.919 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.746 -5.670 -3.490 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.206 -6.091 -3.522 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.034 -5.309 -2.515 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.524 -5.518 -2.733 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.228 -5.861 -1.467 1.00 0.00 N ATOM 0 H LYS A 96 -5.124 -6.485 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.324 -7.704 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.522 -5.237 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.585 -4.887 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.608 -5.937 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.283 -7.157 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.767 -5.618 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.799 -4.248 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.959 -4.613 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.676 -6.315 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.241 -5.995 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.830 -6.739 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.105 -5.089 -0.781 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.647 -7.365 -5.828 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.798 -7.151 -6.991 1.00 0.00 C ATOM 1440 C VAL A 97 -4.661 -7.069 -8.253 1.00 0.00 C ATOM 1441 O VAL A 97 -5.214 -8.071 -8.698 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.767 -8.297 -7.143 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.433 -9.661 -6.958 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.053 -8.225 -8.490 1.00 0.00 C ATOM 0 H VAL A 97 -5.092 -8.282 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.257 -6.215 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.019 -8.173 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.687 -10.448 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.875 -9.718 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.212 -9.790 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.336 -9.043 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.784 -8.308 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.528 -7.273 -8.573 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.777 -5.869 -8.816 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.582 -5.661 -10.019 1.00 0.00 C ATOM 1456 C GLU A 98 -4.817 -4.820 -11.043 1.00 0.00 C ATOM 1457 O GLU A 98 -3.782 -4.245 -10.714 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.900 -4.984 -9.642 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.679 -5.728 -8.567 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.422 -4.793 -7.633 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.773 -3.907 -7.040 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.653 -4.951 -7.492 1.00 0.00 O ATOM 0 H GLU A 98 -4.325 -5.027 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.796 -6.628 -10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.693 -3.972 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.521 -4.894 -10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.391 -6.403 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.992 -6.345 -7.987 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.316 -4.762 -12.285 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.641 -4.001 -13.345 1.00 0.00 C ATOM 1471 C GLU A 99 -5.154 -2.565 -13.444 1.00 0.00 C ATOM 1472 O GLU A 99 -6.111 -2.277 -14.158 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.773 -4.711 -14.698 1.00 0.00 C ATOM 1474 CG GLU A 99 -6.163 -4.652 -15.312 1.00 0.00 C ATOM 1475 CD GLU A 99 -6.192 -3.901 -16.629 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.944 -2.677 -16.619 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -6.465 -4.537 -17.668 1.00 0.00 O ATOM 0 H GLU A 99 -6.175 -5.227 -12.579 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.586 -3.952 -13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.063 -4.268 -15.396 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.489 -5.756 -14.574 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.529 -5.667 -15.469 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.845 -4.172 -14.610 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.488 -1.661 -12.736 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.861 -0.252 -12.754 1.00 0.00 C ATOM 1486 C ARG A 100 -4.518 0.389 -14.094 1.00 0.00 C ATOM 1487 O ARG A 100 -3.771 -0.173 -14.894 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.155 0.501 -11.627 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.641 0.521 -11.768 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.089 1.937 -11.712 1.00 0.00 C ATOM 1491 NE ARG A 100 -2.052 2.563 -13.032 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.061 3.344 -13.463 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.026 3.616 -12.677 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -1.108 3.858 -14.683 1.00 0.00 N ATOM 0 H ARG A 100 -3.687 -1.878 -12.143 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.939 -0.191 -12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.523 1.527 -11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.417 0.042 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.194 -0.076 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.357 0.057 -12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.703 2.539 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.084 1.918 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.834 2.392 -13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.015 3.226 -11.735 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.728 4.214 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.902 3.656 -15.291 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.351 4.456 -15.014 1.00 0.00 H new