USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 68 GLN : amide:sc= -1.38 X(o=-1.7,f=-2.1!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.323 K(o=-1.7,f=-5.4) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.937 K(o=-2.7,f=-7.5) USER MOD Set 2.2: A 37 MET CE :methyl -150:sc= -1.73 (180deg=-5.41!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0658 (180deg=-0.348) USER MOD Single : A 19 SER OG : rot 76:sc= 0.232 USER MOD Single : A 23 ASN : amide:sc= 0.251 X(o=0.25,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 170:sc= 0 (180deg=-0.0681) USER MOD Single : A 46 ASN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 50 ASN : amide:sc= 0.00199 X(o=0.002,f=-0.27) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 119:sc= -1.52! USER MOD Single : A 54 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.9!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.0083) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.31) USER MOD Single : A 76 THR OG1 : rot -77:sc= 0.929 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -110:sc= -2.9! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.110 20.961 -0.809 1.00 0.00 N ATOM 88 CA LYS A 8 5.603 19.936 -1.719 1.00 0.00 C ATOM 89 C LYS A 8 6.480 18.934 -0.978 1.00 0.00 C ATOM 90 O LYS A 8 6.485 17.744 -1.298 1.00 0.00 O ATOM 91 CB LYS A 8 6.390 20.575 -2.865 1.00 0.00 C ATOM 92 CG LYS A 8 5.573 20.762 -4.134 1.00 0.00 C ATOM 93 CD LYS A 8 6.427 20.582 -5.377 1.00 0.00 C ATOM 94 CE LYS A 8 7.118 21.878 -5.772 1.00 0.00 C ATOM 95 NZ LYS A 8 8.541 21.907 -5.332 1.00 0.00 N ATOM 0 HA LYS A 8 4.745 19.406 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.767 21.544 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.258 19.954 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.752 20.045 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.128 21.757 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.175 19.810 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.803 20.235 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.070 21.999 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.585 22.722 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.975 22.807 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.586 21.817 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.056 21.117 -5.771 1.00 0.00 H new ATOM 109 N ASP A 9 7.219 19.419 0.015 1.00 0.00 N ATOM 110 CA ASP A 9 8.095 18.558 0.799 1.00 0.00 C ATOM 111 C ASP A 9 7.277 17.556 1.603 1.00 0.00 C ATOM 112 O ASP A 9 7.592 16.366 1.636 1.00 0.00 O ATOM 113 CB ASP A 9 8.973 19.395 1.732 1.00 0.00 C ATOM 114 CG ASP A 9 10.357 19.634 1.163 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.541 20.643 0.451 1.00 0.00 O ATOM 116 OD2 ASP A 9 11.259 18.811 1.429 1.00 0.00 O ATOM 0 H ASP A 9 7.228 20.400 0.294 1.00 0.00 H new ATOM 0 HA ASP A 9 8.741 18.009 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.489 20.354 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.061 18.890 2.694 1.00 0.00 H new ATOM 121 N LEU A 10 6.213 18.040 2.237 1.00 0.00 N ATOM 122 CA LEU A 10 5.343 17.174 3.021 1.00 0.00 C ATOM 123 C LEU A 10 4.736 16.106 2.121 1.00 0.00 C ATOM 124 O LEU A 10 4.729 14.917 2.454 1.00 0.00 O ATOM 125 CB LEU A 10 4.235 17.990 3.691 1.00 0.00 C ATOM 126 CG LEU A 10 3.442 17.244 4.765 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.983 17.565 6.150 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.963 17.592 4.675 1.00 0.00 C ATOM 0 H LEU A 10 5.935 19.021 2.223 1.00 0.00 H new ATOM 0 HA LEU A 10 5.935 16.694 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.680 18.878 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.543 18.334 2.923 1.00 0.00 H new ATOM 0 HG LEU A 10 3.555 16.174 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.406 17.025 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.029 17.264 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.903 18.637 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.415 17.052 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.832 18.664 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.582 17.309 3.694 1.00 0.00 H new ATOM 140 N ILE A 11 4.246 16.537 0.962 1.00 0.00 N ATOM 141 CA ILE A 11 3.659 15.620 0.001 1.00 0.00 C ATOM 142 C ILE A 11 4.694 14.595 -0.438 1.00 0.00 C ATOM 143 O ILE A 11 4.462 13.390 -0.350 1.00 0.00 O ATOM 144 CB ILE A 11 3.113 16.364 -1.235 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.147 17.470 -0.806 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.425 15.391 -2.184 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.115 18.648 -1.755 1.00 0.00 C ATOM 0 H ILE A 11 4.246 17.514 0.670 1.00 0.00 H new ATOM 0 HA ILE A 11 2.825 15.117 0.490 1.00 0.00 H new ATOM 0 HB ILE A 11 3.950 16.821 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.143 17.053 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.428 17.821 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.046 15.934 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.140 14.637 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.596 14.905 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.409 19.392 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.109 19.091 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.804 18.310 -2.744 1.00 0.00 H new ATOM 159 N SER A 12 5.847 15.076 -0.907 1.00 0.00 N ATOM 160 CA SER A 12 6.917 14.190 -1.347 1.00 0.00 C ATOM 161 C SER A 12 7.292 13.215 -0.237 1.00 0.00 C ATOM 162 O SER A 12 7.660 12.074 -0.498 1.00 0.00 O ATOM 163 CB SER A 12 8.142 15.003 -1.765 1.00 0.00 C ATOM 164 OG SER A 12 8.009 15.481 -3.093 1.00 0.00 O ATOM 0 H SER A 12 6.060 16.070 -0.990 1.00 0.00 H new ATOM 0 HA SER A 12 6.561 13.622 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.274 15.844 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.037 14.385 -1.685 1.00 0.00 H new ATOM 0 HG SER A 12 8.805 15.999 -3.335 1.00 0.00 H new ATOM 170 N ALA A 13 7.197 13.679 1.003 1.00 0.00 N ATOM 171 CA ALA A 13 7.527 12.844 2.151 1.00 0.00 C ATOM 172 C ALA A 13 6.557 11.679 2.261 1.00 0.00 C ATOM 173 O ALA A 13 6.964 10.541 2.497 1.00 0.00 O ATOM 174 CB ALA A 13 7.545 13.662 3.434 1.00 0.00 C ATOM 0 H ALA A 13 6.896 14.625 1.239 1.00 0.00 H new ATOM 0 HA ALA A 13 8.528 12.440 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.794 13.015 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.291 14.452 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.563 14.106 3.596 1.00 0.00 H new ATOM 180 N GLY A 14 5.281 11.954 2.029 1.00 0.00 N ATOM 181 CA GLY A 14 4.298 10.888 2.048 1.00 0.00 C ATOM 182 C GLY A 14 4.503 10.004 0.840 1.00 0.00 C ATOM 183 O GLY A 14 4.421 8.783 0.911 1.00 0.00 O ATOM 0 H GLY A 14 4.911 12.884 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.395 10.303 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.291 11.305 2.042 1.00 0.00 H new ATOM 187 N LEU A 15 4.786 10.669 -0.270 1.00 0.00 N ATOM 188 CA LEU A 15 5.036 9.998 -1.535 1.00 0.00 C ATOM 189 C LEU A 15 6.143 8.963 -1.379 1.00 0.00 C ATOM 190 O LEU A 15 5.926 7.773 -1.608 1.00 0.00 O ATOM 191 CB LEU A 15 5.390 11.008 -2.623 1.00 0.00 C ATOM 192 CG LEU A 15 4.279 11.279 -3.639 1.00 0.00 C ATOM 193 CD1 LEU A 15 3.450 12.481 -3.214 1.00 0.00 C ATOM 194 CD2 LEU A 15 4.864 11.496 -5.026 1.00 0.00 C ATOM 0 H LEU A 15 4.849 11.686 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 15 4.124 9.483 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.665 11.950 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.271 10.651 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 15 3.626 10.407 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.664 12.659 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.000 12.287 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.091 13.360 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.058 11.687 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.540 12.351 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.413 10.606 -5.333 1.00 0.00 H new ATOM 206 N LYS A 16 7.327 9.418 -0.984 1.00 0.00 N ATOM 207 CA LYS A 16 8.456 8.517 -0.796 1.00 0.00 C ATOM 208 C LYS A 16 8.129 7.485 0.275 1.00 0.00 C ATOM 209 O LYS A 16 8.543 6.329 0.193 1.00 0.00 O ATOM 210 CB LYS A 16 9.708 9.310 -0.408 1.00 0.00 C ATOM 211 CG LYS A 16 10.867 8.439 0.051 1.00 0.00 C ATOM 212 CD LYS A 16 12.093 9.275 0.383 1.00 0.00 C ATOM 213 CE LYS A 16 12.793 8.766 1.633 1.00 0.00 C ATOM 214 NZ LYS A 16 11.954 8.944 2.852 1.00 0.00 N ATOM 0 H LYS A 16 7.528 10.399 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 16 8.652 7.997 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.029 9.905 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.452 10.008 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.568 7.865 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.116 7.720 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.787 9.255 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.798 10.314 0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.034 7.710 1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.737 9.296 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.563 8.946 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.442 9.847 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.271 8.163 2.920 1.00 0.00 H new ATOM 228 N GLU A 17 7.369 7.914 1.272 1.00 0.00 N ATOM 229 CA GLU A 17 6.966 7.032 2.356 1.00 0.00 C ATOM 230 C GLU A 17 6.136 5.876 1.813 1.00 0.00 C ATOM 231 O GLU A 17 6.373 4.713 2.147 1.00 0.00 O ATOM 232 CB GLU A 17 6.167 7.807 3.407 1.00 0.00 C ATOM 233 CG GLU A 17 7.002 8.250 4.598 1.00 0.00 C ATOM 234 CD GLU A 17 6.942 7.268 5.750 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.064 6.050 5.499 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.773 7.715 6.904 1.00 0.00 O ATOM 0 H GLU A 17 7.019 8.869 1.352 1.00 0.00 H new ATOM 0 HA GLU A 17 7.863 6.630 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.722 8.685 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.346 7.183 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.039 8.373 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.654 9.225 4.938 1.00 0.00 H new ATOM 243 N PHE A 18 5.160 6.205 0.977 1.00 0.00 N ATOM 244 CA PHE A 18 4.286 5.201 0.387 1.00 0.00 C ATOM 245 C PHE A 18 5.044 4.348 -0.623 1.00 0.00 C ATOM 246 O PHE A 18 5.000 3.123 -0.562 1.00 0.00 O ATOM 247 CB PHE A 18 3.081 5.878 -0.281 1.00 0.00 C ATOM 248 CG PHE A 18 1.795 5.086 -0.224 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.554 4.160 0.786 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.818 5.279 -1.189 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.369 3.448 0.825 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.368 4.568 -1.152 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.592 3.653 -0.144 1.00 0.00 C ATOM 0 H PHE A 18 4.954 7.162 0.692 1.00 0.00 H new ATOM 0 HA PHE A 18 3.927 4.546 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.917 6.845 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.325 6.073 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.301 3.995 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.985 5.994 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.196 2.731 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.118 4.729 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.518 3.098 -0.113 1.00 0.00 H new ATOM 263 N SER A 19 5.748 4.997 -1.547 1.00 0.00 N ATOM 264 CA SER A 19 6.512 4.276 -2.559 1.00 0.00 C ATOM 265 C SER A 19 7.488 3.300 -1.909 1.00 0.00 C ATOM 266 O SER A 19 7.515 2.112 -2.240 1.00 0.00 O ATOM 267 CB SER A 19 7.274 5.260 -3.449 1.00 0.00 C ATOM 268 OG SER A 19 6.383 6.129 -4.129 1.00 0.00 O ATOM 0 H SER A 19 5.805 6.013 -1.615 1.00 0.00 H new ATOM 0 HA SER A 19 5.812 3.709 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.965 5.845 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.874 4.710 -4.174 1.00 0.00 H new ATOM 0 HG SER A 19 6.054 6.812 -3.508 1.00 0.00 H new ATOM 274 N VAL A 20 8.281 3.807 -0.971 1.00 0.00 N ATOM 275 CA VAL A 20 9.250 2.978 -0.269 1.00 0.00 C ATOM 276 C VAL A 20 8.545 1.897 0.542 1.00 0.00 C ATOM 277 O VAL A 20 9.057 0.789 0.691 1.00 0.00 O ATOM 278 CB VAL A 20 10.143 3.820 0.664 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.156 2.940 1.382 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.846 4.917 -0.121 1.00 0.00 C ATOM 0 H VAL A 20 8.271 4.785 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 20 9.882 2.510 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 20 9.508 4.287 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.775 3.556 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.631 2.193 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.788 2.440 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.472 5.502 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.467 4.469 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.103 5.568 -0.582 1.00 0.00 H new ATOM 290 N LEU A 21 7.366 2.223 1.066 1.00 0.00 N ATOM 291 CA LEU A 21 6.602 1.266 1.858 1.00 0.00 C ATOM 292 C LEU A 21 6.136 0.101 0.991 1.00 0.00 C ATOM 293 O LEU A 21 6.260 -1.061 1.377 1.00 0.00 O ATOM 294 CB LEU A 21 5.398 1.956 2.503 1.00 0.00 C ATOM 295 CG LEU A 21 4.416 1.023 3.222 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.605 1.105 4.728 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.982 1.362 2.843 1.00 0.00 C ATOM 0 H LEU A 21 6.923 3.135 0.957 1.00 0.00 H new ATOM 0 HA LEU A 21 7.249 0.875 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.763 2.693 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.856 2.502 1.731 1.00 0.00 H new ATOM 0 HG LEU A 21 4.622 0.000 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.899 0.436 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.623 0.810 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.429 2.128 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.300 0.690 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.764 2.391 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.854 1.248 1.767 1.00 0.00 H new ATOM 309 N LEU A 22 5.603 0.419 -0.186 1.00 0.00 N ATOM 310 CA LEU A 22 5.126 -0.610 -1.104 1.00 0.00 C ATOM 311 C LEU A 22 6.281 -1.509 -1.525 1.00 0.00 C ATOM 312 O LEU A 22 6.121 -2.721 -1.663 1.00 0.00 O ATOM 313 CB LEU A 22 4.466 0.025 -2.333 1.00 0.00 C ATOM 314 CG LEU A 22 3.469 1.143 -2.022 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.474 2.190 -3.123 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.074 0.575 -1.828 1.00 0.00 C ATOM 0 H LEU A 22 5.491 1.375 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 22 4.378 -1.215 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.246 0.424 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.952 -0.755 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 22 3.775 1.625 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.758 2.975 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.471 2.622 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.197 1.725 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.379 1.385 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.759 0.064 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.081 -0.132 -0.999 1.00 0.00 H new ATOM 328 N ASN A 23 7.450 -0.904 -1.715 1.00 0.00 N ATOM 329 CA ASN A 23 8.641 -1.649 -2.104 1.00 0.00 C ATOM 330 C ASN A 23 9.314 -2.283 -0.886 1.00 0.00 C ATOM 331 O ASN A 23 10.106 -3.217 -1.020 1.00 0.00 O ATOM 332 CB ASN A 23 9.629 -0.730 -2.825 1.00 0.00 C ATOM 333 CG ASN A 23 9.277 -0.538 -4.288 1.00 0.00 C ATOM 334 OD1 ASN A 23 9.939 -1.078 -5.175 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.229 0.236 -4.546 1.00 0.00 N ATOM 0 H ASN A 23 7.597 0.099 -1.606 1.00 0.00 H new ATOM 0 HA ASN A 23 8.334 -2.446 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.648 0.240 -2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.633 -1.148 -2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.944 0.403 -5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.709 0.663 -3.779 1.00 0.00 H new ATOM 342 N GLN A 24 8.999 -1.768 0.302 1.00 0.00 N ATOM 343 CA GLN A 24 9.578 -2.279 1.542 1.00 0.00 C ATOM 344 C GLN A 24 8.538 -3.029 2.377 1.00 0.00 C ATOM 345 O GLN A 24 8.697 -3.178 3.588 1.00 0.00 O ATOM 346 CB GLN A 24 10.194 -1.132 2.355 1.00 0.00 C ATOM 347 CG GLN A 24 9.216 -0.417 3.280 1.00 0.00 C ATOM 348 CD GLN A 24 9.481 -0.706 4.744 1.00 0.00 C ATOM 349 OE1 GLN A 24 8.739 -1.450 5.386 1.00 0.00 O ATOM 350 NE2 GLN A 24 10.543 -0.116 5.281 1.00 0.00 N ATOM 0 H GLN A 24 8.345 -0.996 0.431 1.00 0.00 H new ATOM 0 HA GLN A 24 10.364 -2.986 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.016 -1.527 2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.621 -0.404 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.279 0.658 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.199 -0.720 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.130 0.493 4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.771 -0.272 6.263 1.00 0.00 H new ATOM 359 N GLN A 25 7.471 -3.485 1.728 1.00 0.00 N ATOM 360 CA GLN A 25 6.400 -4.204 2.417 1.00 0.00 C ATOM 361 C GLN A 25 6.808 -5.635 2.793 1.00 0.00 C ATOM 362 O GLN A 25 5.950 -6.508 2.876 1.00 0.00 O ATOM 363 CB GLN A 25 5.144 -4.237 1.544 1.00 0.00 C ATOM 364 CG GLN A 25 3.936 -3.584 2.196 1.00 0.00 C ATOM 365 CD GLN A 25 3.520 -4.280 3.477 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.165 -5.458 3.471 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.561 -3.550 4.586 1.00 0.00 N ATOM 0 H GLN A 25 7.323 -3.370 0.725 1.00 0.00 H new ATOM 0 HA GLN A 25 6.194 -3.667 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.354 -3.734 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.903 -5.273 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.163 -2.540 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.101 -3.591 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.862 -2.576 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.292 -3.963 5.479 1.00 0.00 H new ATOM 376 N VAL A 26 8.111 -5.847 3.032 1.00 0.00 N ATOM 377 CA VAL A 26 8.673 -7.155 3.422 1.00 0.00 C ATOM 378 C VAL A 26 7.769 -8.344 3.079 1.00 0.00 C ATOM 379 O VAL A 26 6.575 -8.340 3.371 1.00 0.00 O ATOM 380 CB VAL A 26 8.982 -7.193 4.933 1.00 0.00 C ATOM 381 CG1 VAL A 26 9.724 -8.470 5.297 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.783 -5.966 5.348 1.00 0.00 C ATOM 0 H VAL A 26 8.813 -5.110 2.960 1.00 0.00 H new ATOM 0 HA VAL A 26 9.588 -7.257 2.838 1.00 0.00 H new ATOM 0 HB VAL A 26 8.037 -7.182 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.932 -8.477 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.110 -9.333 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.662 -8.516 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.991 -6.012 6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.723 -5.941 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.209 -5.066 5.128 1.00 0.00 H new ATOM 392 N PHE A 27 8.355 -9.382 2.488 1.00 0.00 N ATOM 393 CA PHE A 27 7.596 -10.578 2.139 1.00 0.00 C ATOM 394 C PHE A 27 8.065 -11.775 2.958 1.00 0.00 C ATOM 395 O PHE A 27 9.037 -12.444 2.611 1.00 0.00 O ATOM 396 CB PHE A 27 7.732 -10.875 0.644 1.00 0.00 C ATOM 397 CG PHE A 27 7.046 -9.868 -0.237 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.376 -8.523 -0.166 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.070 -10.266 -1.136 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.746 -7.597 -0.975 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.437 -9.344 -1.947 1.00 0.00 C ATOM 402 CZ PHE A 27 5.775 -8.008 -1.867 1.00 0.00 C ATOM 0 H PHE A 27 9.344 -9.419 2.243 1.00 0.00 H new ATOM 0 HA PHE A 27 6.546 -10.395 2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.790 -10.911 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.320 -11.863 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.134 -8.196 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.801 -11.310 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.013 -6.552 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.678 -9.668 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.281 -7.286 -2.500 1.00 0.00 H new ATOM 452 N LEU A 31 1.944 -15.682 5.274 1.00 0.00 N ATOM 453 CA LEU A 31 1.539 -14.758 4.224 1.00 0.00 C ATOM 454 C LEU A 31 0.152 -14.191 4.497 1.00 0.00 C ATOM 455 O LEU A 31 -0.817 -14.933 4.655 1.00 0.00 O ATOM 456 CB LEU A 31 1.568 -15.454 2.863 1.00 0.00 C ATOM 457 CG LEU A 31 2.877 -15.294 2.089 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.890 -16.196 0.866 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.082 -13.842 1.686 1.00 0.00 C ATOM 0 HA LEU A 31 2.247 -13.930 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.377 -16.517 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.752 -15.065 2.254 1.00 0.00 H new ATOM 0 HG LEU A 31 3.700 -15.590 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.830 -16.067 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.791 -17.235 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.059 -15.933 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.018 -13.746 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.255 -13.520 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.120 -13.218 2.579 1.00 0.00 H new ATOM 471 N VAL A 32 0.068 -12.867 4.548 1.00 0.00 N ATOM 472 CA VAL A 32 -1.194 -12.188 4.798 1.00 0.00 C ATOM 473 C VAL A 32 -2.087 -12.228 3.561 1.00 0.00 C ATOM 474 O VAL A 32 -1.595 -12.243 2.433 1.00 0.00 O ATOM 475 CB VAL A 32 -0.959 -10.723 5.217 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.259 -9.949 4.109 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.272 -10.058 5.597 1.00 0.00 C ATOM 0 H VAL A 32 0.863 -12.242 4.419 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.693 -12.712 5.613 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.309 -10.718 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.104 -8.918 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.704 -10.412 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.876 -9.962 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.085 -9.025 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.950 -10.076 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.724 -10.595 6.431 1.00 0.00 H new ATOM 487 N SER A 33 -3.398 -12.271 3.776 1.00 0.00 N ATOM 488 CA SER A 33 -4.349 -12.340 2.672 1.00 0.00 C ATOM 489 C SER A 33 -4.580 -10.972 2.042 1.00 0.00 C ATOM 490 O SER A 33 -4.102 -9.953 2.542 1.00 0.00 O ATOM 491 CB SER A 33 -5.680 -12.918 3.157 1.00 0.00 C ATOM 492 OG SER A 33 -5.483 -14.130 3.864 1.00 0.00 O ATOM 0 H SER A 33 -3.825 -12.259 4.702 1.00 0.00 H new ATOM 0 HA SER A 33 -3.923 -12.994 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.181 -12.195 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.336 -13.093 2.304 1.00 0.00 H new ATOM 0 HG SER A 33 -6.349 -14.478 4.165 1.00 0.00 H new ATOM 498 N GLU A 34 -5.311 -10.965 0.931 1.00 0.00 N ATOM 499 CA GLU A 34 -5.605 -9.728 0.210 1.00 0.00 C ATOM 500 C GLU A 34 -6.575 -8.848 0.990 1.00 0.00 C ATOM 501 O GLU A 34 -6.538 -7.625 0.874 1.00 0.00 O ATOM 502 CB GLU A 34 -6.171 -10.011 -1.193 1.00 0.00 C ATOM 503 CG GLU A 34 -6.844 -11.368 -1.346 1.00 0.00 C ATOM 504 CD GLU A 34 -7.932 -11.602 -0.316 1.00 0.00 C ATOM 505 OE1 GLU A 34 -9.095 -11.233 -0.587 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.622 -12.153 0.761 1.00 0.00 O ATOM 0 H GLU A 34 -5.712 -11.803 0.509 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.660 -9.195 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.892 -9.233 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.360 -9.939 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.273 -11.446 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.093 -12.153 -1.260 1.00 0.00 H new ATOM 513 N GLU A 35 -7.439 -9.467 1.788 1.00 0.00 N ATOM 514 CA GLU A 35 -8.405 -8.714 2.581 1.00 0.00 C ATOM 515 C GLU A 35 -7.696 -7.925 3.674 1.00 0.00 C ATOM 516 O GLU A 35 -8.073 -6.792 3.986 1.00 0.00 O ATOM 517 CB GLU A 35 -9.436 -9.658 3.203 1.00 0.00 C ATOM 518 CG GLU A 35 -10.611 -8.938 3.845 1.00 0.00 C ATOM 519 CD GLU A 35 -10.754 -9.251 5.322 1.00 0.00 C ATOM 520 OE1 GLU A 35 -10.046 -8.618 6.134 1.00 0.00 O ATOM 521 OE2 GLU A 35 -11.573 -10.129 5.665 1.00 0.00 O ATOM 0 H GLU A 35 -7.491 -10.479 1.903 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.920 -8.016 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.811 -10.332 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.944 -10.275 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.487 -7.863 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.529 -9.217 3.328 1.00 0.00 H new ATOM 528 N ASP A 36 -6.650 -8.520 4.233 1.00 0.00 N ATOM 529 CA ASP A 36 -5.874 -7.863 5.272 1.00 0.00 C ATOM 530 C ASP A 36 -5.012 -6.773 4.656 1.00 0.00 C ATOM 531 O ASP A 36 -4.828 -5.704 5.239 1.00 0.00 O ATOM 532 CB ASP A 36 -5.005 -8.874 6.017 1.00 0.00 C ATOM 533 CG ASP A 36 -5.630 -9.318 7.326 1.00 0.00 C ATOM 534 OD1 ASP A 36 -5.558 -8.549 8.308 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.189 -10.433 7.369 1.00 0.00 O ATOM 0 H ASP A 36 -6.322 -9.453 3.984 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.559 -7.412 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.840 -9.745 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.028 -8.433 6.215 1.00 0.00 H new ATOM 540 N MET A 37 -4.505 -7.044 3.458 1.00 0.00 N ATOM 541 CA MET A 37 -3.686 -6.078 2.744 1.00 0.00 C ATOM 542 C MET A 37 -4.541 -4.890 2.331 1.00 0.00 C ATOM 543 O MET A 37 -4.166 -3.735 2.536 1.00 0.00 O ATOM 544 CB MET A 37 -3.046 -6.720 1.513 1.00 0.00 C ATOM 545 CG MET A 37 -1.646 -6.207 1.220 1.00 0.00 C ATOM 546 SD MET A 37 -0.440 -6.740 2.450 1.00 0.00 S ATOM 547 CE MET A 37 1.094 -6.328 1.622 1.00 0.00 C ATOM 0 H MET A 37 -4.648 -7.925 2.963 1.00 0.00 H new ATOM 0 HA MET A 37 -2.889 -5.736 3.404 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.006 -7.800 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.680 -6.536 0.646 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.334 -6.556 0.236 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.663 -5.118 1.181 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.875 -7.019 1.938 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.957 -6.404 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.384 -5.310 1.880 1.00 0.00 H new ATOM 557 N VAL A 38 -5.708 -5.183 1.757 1.00 0.00 N ATOM 558 CA VAL A 38 -6.629 -4.142 1.328 1.00 0.00 C ATOM 559 C VAL A 38 -6.975 -3.233 2.498 1.00 0.00 C ATOM 560 O VAL A 38 -6.952 -2.009 2.371 1.00 0.00 O ATOM 561 CB VAL A 38 -7.925 -4.733 0.731 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.920 -3.631 0.390 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.613 -5.570 -0.499 1.00 0.00 C ATOM 0 H VAL A 38 -6.034 -6.133 1.580 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.130 -3.566 0.549 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.380 -5.379 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.824 -4.074 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.173 -3.076 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.476 -2.953 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.538 -5.978 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.130 -4.946 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.946 -6.387 -0.223 1.00 0.00 H new ATOM 573 N THR A 39 -7.285 -3.835 3.643 1.00 0.00 N ATOM 574 CA THR A 39 -7.618 -3.066 4.833 1.00 0.00 C ATOM 575 C THR A 39 -6.460 -2.140 5.202 1.00 0.00 C ATOM 576 O THR A 39 -6.660 -0.954 5.466 1.00 0.00 O ATOM 577 CB THR A 39 -7.950 -4.015 5.991 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.326 -4.349 5.984 1.00 0.00 O ATOM 579 CG2 THR A 39 -7.626 -3.453 7.359 1.00 0.00 C ATOM 0 H THR A 39 -7.312 -4.847 3.769 1.00 0.00 H new ATOM 0 HA THR A 39 -8.494 -2.450 4.629 1.00 0.00 H new ATOM 0 HB THR A 39 -7.322 -4.890 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.519 -4.956 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.889 -4.183 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.560 -3.233 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.195 -2.537 7.520 1.00 0.00 H new ATOM 587 N VAL A 40 -5.249 -2.690 5.211 1.00 0.00 N ATOM 588 CA VAL A 40 -4.061 -1.914 5.539 1.00 0.00 C ATOM 589 C VAL A 40 -3.898 -0.743 4.577 1.00 0.00 C ATOM 590 O VAL A 40 -3.548 0.365 4.984 1.00 0.00 O ATOM 591 CB VAL A 40 -2.789 -2.784 5.493 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.575 -1.984 5.939 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.962 -4.030 6.351 1.00 0.00 C ATOM 0 H VAL A 40 -5.066 -3.670 4.995 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.194 -1.538 6.553 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.626 -3.100 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.688 -2.616 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.440 -1.128 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.725 -1.634 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.054 -4.632 6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.153 -3.737 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.803 -4.614 5.978 1.00 0.00 H new ATOM 603 N VAL A 41 -4.160 -0.995 3.297 1.00 0.00 N ATOM 604 CA VAL A 41 -4.049 0.040 2.277 1.00 0.00 C ATOM 605 C VAL A 41 -5.115 1.111 2.478 1.00 0.00 C ATOM 606 O VAL A 41 -4.817 2.305 2.478 1.00 0.00 O ATOM 607 CB VAL A 41 -4.187 -0.548 0.860 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.856 0.503 -0.189 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.298 -1.774 0.697 1.00 0.00 C ATOM 0 H VAL A 41 -4.450 -1.907 2.943 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.059 0.485 2.378 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.222 -0.859 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.959 0.069 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.540 1.346 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.832 0.848 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.411 -2.174 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.258 -1.494 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.589 -2.533 1.423 1.00 0.00 H new ATOM 619 N GLU A 42 -6.360 0.673 2.653 1.00 0.00 N ATOM 620 CA GLU A 42 -7.470 1.595 2.861 1.00 0.00 C ATOM 621 C GLU A 42 -7.193 2.505 4.052 1.00 0.00 C ATOM 622 O GLU A 42 -7.382 3.719 3.977 1.00 0.00 O ATOM 623 CB GLU A 42 -8.773 0.820 3.078 1.00 0.00 C ATOM 624 CG GLU A 42 -9.838 1.121 2.035 1.00 0.00 C ATOM 625 CD GLU A 42 -11.226 1.226 2.633 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.598 2.331 3.081 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.943 0.203 2.654 1.00 0.00 O ATOM 0 H GLU A 42 -6.623 -0.312 2.655 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.575 2.213 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.557 -0.248 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.167 1.056 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.593 2.055 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.831 0.337 1.277 1.00 0.00 H new ATOM 634 N ASP A 43 -6.736 1.909 5.150 1.00 0.00 N ATOM 635 CA ASP A 43 -6.423 2.667 6.353 1.00 0.00 C ATOM 636 C ASP A 43 -5.268 3.627 6.095 1.00 0.00 C ATOM 637 O ASP A 43 -5.289 4.772 6.541 1.00 0.00 O ATOM 638 CB ASP A 43 -6.068 1.720 7.502 1.00 0.00 C ATOM 639 CG ASP A 43 -7.254 1.428 8.400 1.00 0.00 C ATOM 640 OD1 ASP A 43 -8.208 0.772 7.931 1.00 0.00 O ATOM 641 OD2 ASP A 43 -7.229 1.853 9.575 1.00 0.00 O ATOM 0 H ASP A 43 -6.575 0.905 5.229 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.304 3.246 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.687 0.784 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.266 2.159 8.096 1.00 0.00 H new ATOM 646 N TRP A 44 -4.264 3.151 5.362 1.00 0.00 N ATOM 647 CA TRP A 44 -3.093 3.960 5.029 1.00 0.00 C ATOM 648 C TRP A 44 -3.497 5.191 4.223 1.00 0.00 C ATOM 649 O TRP A 44 -2.989 6.292 4.447 1.00 0.00 O ATOM 650 CB TRP A 44 -2.103 3.132 4.202 1.00 0.00 C ATOM 651 CG TRP A 44 -1.123 2.337 5.011 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.789 2.519 6.323 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.338 1.232 4.546 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.155 1.593 6.702 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.448 0.790 5.628 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.227 0.571 3.318 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.333 -0.281 5.516 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.651 -0.490 3.209 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.420 -0.907 4.301 1.00 0.00 C ATOM 0 H TRP A 44 -4.238 2.203 4.985 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.627 4.278 5.961 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.665 2.450 3.564 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.551 3.802 3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.205 3.279 6.968 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.570 1.516 7.631 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.817 0.885 2.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.928 -0.605 6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.745 -1.006 2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.097 -1.740 4.183 1.00 0.00 H new ATOM 670 N MET A 45 -4.394 4.986 3.266 1.00 0.00 N ATOM 671 CA MET A 45 -4.852 6.059 2.392 1.00 0.00 C ATOM 672 C MET A 45 -5.683 7.100 3.139 1.00 0.00 C ATOM 673 O MET A 45 -5.497 8.300 2.937 1.00 0.00 O ATOM 674 CB MET A 45 -5.657 5.478 1.223 1.00 0.00 C ATOM 675 CG MET A 45 -6.391 6.523 0.395 1.00 0.00 C ATOM 676 SD MET A 45 -6.322 6.183 -1.375 1.00 0.00 S ATOM 677 CE MET A 45 -7.086 4.565 -1.444 1.00 0.00 C ATOM 0 H MET A 45 -4.821 4.080 3.075 1.00 0.00 H new ATOM 0 HA MET A 45 -3.967 6.567 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.982 4.922 0.572 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.382 4.765 1.614 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.433 6.566 0.712 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.958 7.504 0.589 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.277 4.297 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.419 3.828 -0.996 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.027 4.583 -0.895 1.00 0.00 H new ATOM 687 N ASN A 46 -6.592 6.656 4.001 1.00 0.00 N ATOM 688 CA ASN A 46 -7.422 7.585 4.758 1.00 0.00 C ATOM 689 C ASN A 46 -6.591 8.272 5.830 1.00 0.00 C ATOM 690 O ASN A 46 -6.810 9.441 6.147 1.00 0.00 O ATOM 691 CB ASN A 46 -8.599 6.848 5.399 1.00 0.00 C ATOM 692 CG ASN A 46 -9.794 6.744 4.471 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.572 7.688 4.334 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.947 5.592 3.829 1.00 0.00 N ATOM 0 H ASN A 46 -6.771 5.670 4.191 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.813 8.339 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.281 5.847 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.895 7.367 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.734 5.463 3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.278 4.836 3.972 1.00 0.00 H new ATOM 701 N PHE A 47 -5.628 7.538 6.379 1.00 0.00 N ATOM 702 CA PHE A 47 -4.756 8.081 7.406 1.00 0.00 C ATOM 703 C PHE A 47 -3.941 9.239 6.843 1.00 0.00 C ATOM 704 O PHE A 47 -3.791 10.272 7.492 1.00 0.00 O ATOM 705 CB PHE A 47 -3.826 6.989 7.959 1.00 0.00 C ATOM 706 CG PHE A 47 -2.367 7.361 7.960 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.882 8.309 8.846 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.488 6.771 7.068 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.545 8.660 8.844 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.151 7.118 7.059 1.00 0.00 C ATOM 711 CZ PHE A 47 0.321 8.063 7.949 1.00 0.00 C ATOM 0 H PHE A 47 -5.435 6.568 6.128 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.372 8.452 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.129 6.752 8.979 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.958 6.082 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.556 8.779 9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.852 6.031 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.178 9.399 9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.524 6.651 6.357 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.366 8.335 7.945 1.00 0.00 H new ATOM 721 N TYR A 48 -3.412 9.058 5.634 1.00 0.00 N ATOM 722 CA TYR A 48 -2.607 10.092 4.998 1.00 0.00 C ATOM 723 C TYR A 48 -3.457 11.293 4.606 1.00 0.00 C ATOM 724 O TYR A 48 -3.072 12.439 4.837 1.00 0.00 O ATOM 725 CB TYR A 48 -1.903 9.530 3.761 1.00 0.00 C ATOM 726 CG TYR A 48 -0.543 8.937 4.050 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.443 9.685 4.681 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.244 7.629 3.690 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.688 9.147 4.944 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.999 7.084 3.950 1.00 0.00 C ATOM 731 CZ TYR A 48 1.961 7.846 4.577 1.00 0.00 C ATOM 732 OH TYR A 48 3.200 7.308 4.838 1.00 0.00 O ATOM 0 H TYR A 48 -3.527 8.209 5.080 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.860 10.423 5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.535 8.764 3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.793 10.326 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.233 10.704 4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.995 7.028 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.444 9.742 5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.216 6.066 3.663 1.00 0.00 H new ATOM 0 HH TYR A 48 3.229 6.382 4.517 1.00 0.00 H new ATOM 742 N ILE A 49 -4.608 11.027 3.999 1.00 0.00 N ATOM 743 CA ILE A 49 -5.500 12.092 3.562 1.00 0.00 C ATOM 744 C ILE A 49 -5.862 13.027 4.720 1.00 0.00 C ATOM 745 O ILE A 49 -5.639 14.233 4.641 1.00 0.00 O ATOM 746 CB ILE A 49 -6.784 11.493 2.931 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.579 11.268 1.432 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.000 12.378 3.174 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.423 12.550 0.642 1.00 0.00 C ATOM 0 H ILE A 49 -4.944 10.085 3.799 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.976 12.680 2.809 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.975 10.535 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.694 10.650 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.428 10.709 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.878 11.923 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.164 12.485 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.829 13.360 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.281 12.313 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.318 13.161 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.557 13.101 1.009 1.00 0.00 H new ATOM 761 N ASN A 50 -6.400 12.466 5.797 1.00 0.00 N ATOM 762 CA ASN A 50 -6.776 13.264 6.962 1.00 0.00 C ATOM 763 C ASN A 50 -5.543 13.874 7.619 1.00 0.00 C ATOM 764 O ASN A 50 -5.580 14.996 8.124 1.00 0.00 O ATOM 765 CB ASN A 50 -7.533 12.404 7.975 1.00 0.00 C ATOM 766 CG ASN A 50 -9.025 12.367 7.703 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.715 13.380 7.825 1.00 0.00 O ATOM 768 ND2 ASN A 50 -9.531 11.197 7.333 1.00 0.00 N ATOM 0 H ASN A 50 -6.586 11.467 5.889 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.427 14.071 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.137 11.389 7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.359 12.792 8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.528 11.112 7.137 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.922 10.383 7.245 1.00 0.00 H new ATOM 775 N TYR A 51 -4.460 13.114 7.612 1.00 0.00 N ATOM 776 CA TYR A 51 -3.202 13.542 8.207 1.00 0.00 C ATOM 777 C TYR A 51 -2.649 14.788 7.514 1.00 0.00 C ATOM 778 O TYR A 51 -2.196 15.724 8.171 1.00 0.00 O ATOM 779 CB TYR A 51 -2.213 12.365 8.130 1.00 0.00 C ATOM 780 CG TYR A 51 -0.744 12.716 8.233 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.306 13.779 9.005 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.205 11.959 7.557 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.040 14.083 9.097 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.551 12.255 7.646 1.00 0.00 C ATOM 785 CZ TYR A 51 1.963 13.319 8.416 1.00 0.00 C ATOM 786 OH TYR A 51 3.303 13.619 8.510 1.00 0.00 O ATOM 0 H TYR A 51 -4.427 12.184 7.195 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.362 13.821 9.249 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.454 11.663 8.928 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.375 11.843 7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.025 14.379 9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.116 11.124 6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.367 14.917 9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.276 11.656 7.115 1.00 0.00 H new ATOM 0 HH TYR A 51 3.819 12.984 7.971 1.00 0.00 H new ATOM 796 N TYR A 52 -2.664 14.780 6.189 1.00 0.00 N ATOM 797 CA TYR A 52 -2.139 15.898 5.409 1.00 0.00 C ATOM 798 C TYR A 52 -3.056 17.119 5.370 1.00 0.00 C ATOM 799 O TYR A 52 -2.567 18.246 5.321 1.00 0.00 O ATOM 800 CB TYR A 52 -1.817 15.441 3.991 1.00 0.00 C ATOM 801 CG TYR A 52 -0.633 14.513 3.945 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.483 14.755 4.732 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.636 13.392 3.131 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.565 13.907 4.710 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.443 12.534 3.106 1.00 0.00 C ATOM 806 CZ TYR A 52 1.544 12.796 3.898 1.00 0.00 C ATOM 807 OH TYR A 52 2.619 11.942 3.882 1.00 0.00 O ATOM 0 H TYR A 52 -3.034 14.012 5.628 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.232 16.220 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.686 14.938 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.617 16.312 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.502 15.624 5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.494 13.188 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.427 14.112 5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.427 11.661 2.470 1.00 0.00 H new ATOM 0 HH TYR A 52 2.332 11.050 4.169 1.00 0.00 H new ATOM 817 N ARG A 53 -4.372 16.923 5.386 1.00 0.00 N ATOM 818 CA ARG A 53 -5.279 18.069 5.343 1.00 0.00 C ATOM 819 C ARG A 53 -5.108 18.941 6.584 1.00 0.00 C ATOM 820 O ARG A 53 -5.429 20.129 6.566 1.00 0.00 O ATOM 821 CB ARG A 53 -6.749 17.635 5.232 1.00 0.00 C ATOM 822 CG ARG A 53 -7.026 16.572 4.182 1.00 0.00 C ATOM 823 CD ARG A 53 -8.134 15.625 4.618 1.00 0.00 C ATOM 824 NE ARG A 53 -9.143 15.452 3.576 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.155 14.592 3.659 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.301 13.828 4.735 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.026 14.495 2.663 1.00 0.00 N ATOM 0 H ARG A 53 -4.825 16.010 5.427 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.020 18.641 4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.076 17.260 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.356 18.513 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.305 17.051 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.116 16.004 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.704 14.656 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.607 16.011 5.521 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.067 16.024 2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.635 13.898 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.079 13.171 4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.920 15.080 1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.802 13.836 2.726 1.00 0.00 H new ATOM 841 N GLN A 54 -4.632 18.340 7.670 1.00 0.00 N ATOM 842 CA GLN A 54 -4.455 19.054 8.928 1.00 0.00 C ATOM 843 C GLN A 54 -3.010 19.507 9.150 1.00 0.00 C ATOM 844 O GLN A 54 -2.749 20.340 10.017 1.00 0.00 O ATOM 845 CB GLN A 54 -4.897 18.149 10.084 1.00 0.00 C ATOM 846 CG GLN A 54 -4.636 18.736 11.463 1.00 0.00 C ATOM 847 CD GLN A 54 -5.088 17.817 12.582 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.770 18.245 13.513 1.00 0.00 O ATOM 849 NE2 GLN A 54 -4.708 16.547 12.495 1.00 0.00 N ATOM 0 H GLN A 54 -4.361 17.357 7.703 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.068 19.954 8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.963 17.943 9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.379 17.194 10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.571 18.939 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.153 19.692 11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.143 16.237 11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.982 15.882 13.219 1.00 0.00 H new ATOM 858 N GLN A 55 -2.070 18.945 8.397 1.00 0.00 N ATOM 859 CA GLN A 55 -0.662 19.297 8.564 1.00 0.00 C ATOM 860 C GLN A 55 -0.167 20.257 7.487 1.00 0.00 C ATOM 861 O GLN A 55 0.911 20.067 6.923 1.00 0.00 O ATOM 862 CB GLN A 55 0.195 18.035 8.566 1.00 0.00 C ATOM 863 CG GLN A 55 -0.060 17.143 9.765 1.00 0.00 C ATOM 864 CD GLN A 55 1.088 17.154 10.756 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.897 18.081 10.777 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.164 16.118 11.585 1.00 0.00 N ATOM 0 H GLN A 55 -2.253 18.251 7.672 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.571 19.810 9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.002 17.471 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.247 18.318 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.971 17.468 10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.230 16.122 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.471 15.371 11.533 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.915 16.070 12.274 1.00 0.00 H new ATOM 875 N VAL A 56 -0.947 21.293 7.209 1.00 0.00 N ATOM 876 CA VAL A 56 -0.550 22.274 6.202 1.00 0.00 C ATOM 877 C VAL A 56 -0.548 23.690 6.771 1.00 0.00 C ATOM 878 O VAL A 56 -0.981 23.924 7.900 1.00 0.00 O ATOM 879 CB VAL A 56 -1.464 22.270 4.961 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.635 22.300 3.689 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.423 21.094 4.944 1.00 0.00 C ATOM 0 H VAL A 56 -1.845 21.477 7.657 1.00 0.00 H new ATOM 0 HA VAL A 56 0.456 21.978 5.903 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.072 23.173 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.297 22.297 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.023 23.202 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.011 21.423 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.042 21.142 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.857 20.163 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.060 21.131 5.828 1.00 0.00 H new ATOM 891 N THR A 57 -0.070 24.633 5.962 1.00 0.00 N ATOM 892 CA THR A 57 -0.016 26.040 6.342 1.00 0.00 C ATOM 893 C THR A 57 -0.299 26.902 5.115 1.00 0.00 C ATOM 894 O THR A 57 -0.349 26.389 3.999 1.00 0.00 O ATOM 895 CB THR A 57 1.354 26.386 6.925 1.00 0.00 C ATOM 896 OG1 THR A 57 2.390 25.835 6.132 1.00 0.00 O ATOM 897 CG2 THR A 57 1.546 25.886 8.341 1.00 0.00 C ATOM 0 H THR A 57 0.290 24.442 5.027 1.00 0.00 H new ATOM 0 HA THR A 57 -0.769 26.234 7.106 1.00 0.00 H new ATOM 0 HB THR A 57 1.398 27.475 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.259 26.069 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.539 26.165 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.792 26.331 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.446 24.801 8.360 1.00 0.00 H new ATOM 905 N GLY A 58 -0.469 28.206 5.307 1.00 0.00 N ATOM 906 CA GLY A 58 -0.732 29.084 4.177 1.00 0.00 C ATOM 907 C GLY A 58 -2.203 29.133 3.796 1.00 0.00 C ATOM 908 O GLY A 58 -3.075 28.879 4.626 1.00 0.00 O ATOM 0 H GLY A 58 -0.430 28.669 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.391 30.091 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.151 28.747 3.319 1.00 0.00 H new ATOM 912 N GLU A 59 -2.476 29.470 2.536 1.00 0.00 N ATOM 913 CA GLU A 59 -3.849 29.563 2.043 1.00 0.00 C ATOM 914 C GLU A 59 -4.512 28.189 1.992 1.00 0.00 C ATOM 915 O GLU A 59 -3.861 27.187 1.701 1.00 0.00 O ATOM 916 CB GLU A 59 -3.870 30.204 0.655 1.00 0.00 C ATOM 917 CG GLU A 59 -3.512 31.681 0.661 1.00 0.00 C ATOM 918 CD GLU A 59 -2.482 32.037 -0.394 1.00 0.00 C ATOM 919 OE1 GLU A 59 -1.530 31.252 -0.584 1.00 0.00 O ATOM 920 OE2 GLU A 59 -2.629 33.102 -1.031 1.00 0.00 O ATOM 0 H GLU A 59 -1.764 29.683 1.838 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.413 30.188 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.172 29.672 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.863 30.081 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.414 32.270 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.129 31.954 1.644 1.00 0.00 H new ATOM 927 N PRO A 60 -5.825 28.122 2.276 1.00 0.00 N ATOM 928 CA PRO A 60 -6.577 26.861 2.267 1.00 0.00 C ATOM 929 C PRO A 60 -6.716 26.257 0.872 1.00 0.00 C ATOM 930 O PRO A 60 -6.879 25.045 0.726 1.00 0.00 O ATOM 931 CB PRO A 60 -7.951 27.259 2.813 1.00 0.00 C ATOM 932 CG PRO A 60 -8.070 28.714 2.523 1.00 0.00 C ATOM 933 CD PRO A 60 -6.680 29.271 2.633 1.00 0.00 C ATOM 0 HA PRO A 60 -6.071 26.093 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.747 26.693 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.024 27.062 3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.480 28.881 1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.742 29.199 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.528 30.111 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.470 29.632 3.640 1.00 0.00 H new ATOM 941 N GLN A 61 -6.653 27.101 -0.154 1.00 0.00 N ATOM 942 CA GLN A 61 -6.776 26.635 -1.532 1.00 0.00 C ATOM 943 C GLN A 61 -5.626 25.702 -1.895 1.00 0.00 C ATOM 944 O GLN A 61 -5.828 24.646 -2.505 1.00 0.00 O ATOM 945 CB GLN A 61 -6.809 27.827 -2.494 1.00 0.00 C ATOM 946 CG GLN A 61 -8.025 27.838 -3.406 1.00 0.00 C ATOM 947 CD GLN A 61 -7.885 28.824 -4.549 1.00 0.00 C ATOM 948 OE1 GLN A 61 -8.742 29.684 -4.751 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.800 28.703 -5.307 1.00 0.00 N ATOM 0 H GLN A 61 -6.518 28.107 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.710 26.080 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.790 28.751 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.907 27.815 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.181 26.838 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.911 28.087 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.115 27.975 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.653 29.338 -6.092 1.00 0.00 H new ATOM 958 N GLU A 62 -4.420 26.089 -1.501 1.00 0.00 N ATOM 959 CA GLU A 62 -3.242 25.282 -1.772 1.00 0.00 C ATOM 960 C GLU A 62 -3.380 23.919 -1.110 1.00 0.00 C ATOM 961 O GLU A 62 -3.080 22.890 -1.715 1.00 0.00 O ATOM 962 CB GLU A 62 -1.985 25.984 -1.268 1.00 0.00 C ATOM 963 CG GLU A 62 -1.254 26.770 -2.344 1.00 0.00 C ATOM 964 CD GLU A 62 0.248 26.566 -2.296 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.890 27.094 -1.365 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.782 25.876 -3.191 1.00 0.00 O ATOM 0 H GLU A 62 -4.234 26.954 -0.994 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.155 25.147 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.257 26.660 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.307 25.240 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.626 26.471 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.477 27.831 -2.229 1.00 0.00 H new ATOM 973 N ARG A 63 -3.855 23.918 0.134 1.00 0.00 N ATOM 974 CA ARG A 63 -4.048 22.674 0.866 1.00 0.00 C ATOM 975 C ARG A 63 -4.934 21.745 0.064 1.00 0.00 C ATOM 976 O ARG A 63 -4.608 20.582 -0.152 1.00 0.00 O ATOM 977 CB ARG A 63 -4.718 22.922 2.229 1.00 0.00 C ATOM 978 CG ARG A 63 -4.479 24.302 2.819 1.00 0.00 C ATOM 979 CD ARG A 63 -3.070 24.428 3.357 1.00 0.00 C ATOM 980 NE ARG A 63 -2.331 25.519 2.738 1.00 0.00 N ATOM 981 CZ ARG A 63 -1.443 25.364 1.754 1.00 0.00 C ATOM 982 NH1 ARG A 63 -1.195 24.162 1.251 1.00 0.00 N ATOM 983 NH2 ARG A 63 -0.800 26.420 1.275 1.00 0.00 N ATOM 0 H ARG A 63 -4.111 24.759 0.651 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.066 22.230 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.792 22.770 2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.359 22.174 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.650 25.062 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.195 24.488 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.109 24.586 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.536 23.492 3.191 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.503 26.465 3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.685 23.345 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.514 24.054 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.985 27.347 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.121 26.305 0.523 1.00 0.00 H new ATOM 997 N ASP A 64 -6.071 22.269 -0.361 1.00 0.00 N ATOM 998 CA ASP A 64 -7.022 21.480 -1.116 1.00 0.00 C ATOM 999 C ASP A 64 -6.384 20.859 -2.350 1.00 0.00 C ATOM 1000 O ASP A 64 -6.648 19.697 -2.660 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.229 22.329 -1.516 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.238 22.467 -0.393 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -8.906 23.105 0.628 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.361 21.938 -0.535 1.00 0.00 O ATOM 0 H ASP A 64 -6.355 23.235 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.358 20.669 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.889 23.319 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.714 21.880 -2.383 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.542 21.610 -3.065 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.904 21.057 -4.255 1.00 0.00 C ATOM 1011 C LYS A 65 -4.005 19.887 -3.878 1.00 0.00 C ATOM 1012 O LYS A 65 -4.087 18.811 -4.465 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.095 22.137 -4.979 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.726 22.594 -6.286 1.00 0.00 C ATOM 1015 CD LYS A 65 -4.878 24.108 -6.335 1.00 0.00 C ATOM 1016 CE LYS A 65 -5.284 24.584 -7.721 1.00 0.00 C ATOM 1017 NZ LYS A 65 -6.709 25.016 -7.765 1.00 0.00 N ATOM 0 H LYS A 65 -5.293 22.575 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.681 20.696 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.981 22.997 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.094 21.755 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.112 22.262 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.703 22.126 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.626 24.423 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.937 24.578 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.644 25.413 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.126 23.781 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.946 25.333 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.322 24.218 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.855 25.799 -7.096 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.154 20.105 -2.886 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.248 19.063 -2.421 1.00 0.00 C ATOM 1033 C ALA A 66 -3.038 17.857 -1.927 1.00 0.00 C ATOM 1034 O ALA A 66 -2.670 16.710 -2.178 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.347 19.599 -1.319 1.00 0.00 C ATOM 0 H ALA A 66 -3.071 20.991 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.622 18.747 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.676 18.809 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.761 20.434 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.958 19.938 -0.482 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.128 18.133 -1.218 1.00 0.00 N ATOM 1042 CA LEU A 67 -4.985 17.088 -0.674 1.00 0.00 C ATOM 1043 C LEU A 67 -5.595 16.234 -1.781 1.00 0.00 C ATOM 1044 O LEU A 67 -5.592 15.006 -1.698 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.095 17.717 0.173 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.732 18.007 1.633 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.293 18.478 1.768 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.682 19.046 2.212 1.00 0.00 C ATOM 0 H LEU A 67 -4.440 19.081 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.372 16.438 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.402 18.651 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.959 17.053 0.158 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.831 17.077 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.071 18.674 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.621 17.706 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.154 19.392 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.415 19.245 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.608 19.968 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.704 18.670 2.166 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.111 16.883 -2.823 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.713 16.158 -3.935 1.00 0.00 C ATOM 1062 C GLN A 68 -5.646 15.365 -4.681 1.00 0.00 C ATOM 1063 O GLN A 68 -5.880 14.237 -5.122 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.445 17.124 -4.879 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.586 17.682 -6.007 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.547 16.768 -7.216 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.530 16.099 -7.534 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -5.408 16.735 -7.897 1.00 0.00 N ATOM 0 H GLN A 68 -6.124 17.898 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.449 15.457 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.301 16.608 -5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.838 17.955 -4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.972 18.657 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.571 17.840 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.618 17.307 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.323 16.138 -8.720 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.468 15.959 -4.814 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.365 15.307 -5.495 1.00 0.00 C ATOM 1079 C GLU A 69 -2.890 14.098 -4.705 1.00 0.00 C ATOM 1080 O GLU A 69 -2.421 13.119 -5.284 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.209 16.288 -5.704 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.370 15.986 -6.935 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.619 16.966 -8.064 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.930 18.007 -8.109 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -2.502 16.694 -8.904 1.00 0.00 O ATOM 0 H GLU A 69 -4.255 16.891 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.717 14.969 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.611 17.298 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.566 16.272 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.314 16.009 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.589 14.976 -7.281 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.017 14.162 -3.381 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.597 13.052 -2.539 1.00 0.00 C ATOM 1094 C LEU A 70 -3.550 11.878 -2.706 1.00 0.00 C ATOM 1095 O LEU A 70 -3.120 10.749 -2.940 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.544 13.485 -1.071 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.165 13.917 -0.572 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.298 14.916 0.566 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.356 12.707 -0.129 1.00 0.00 C ATOM 0 H LEU A 70 -3.402 14.961 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.598 12.741 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.241 14.311 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.895 12.660 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.638 14.402 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.306 15.212 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.839 15.796 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.844 14.458 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.623 13.033 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.880 12.195 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.230 12.025 -0.970 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.846 12.149 -2.596 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.850 11.102 -2.747 1.00 0.00 C ATOM 1113 C ARG A 71 -5.687 10.418 -4.097 1.00 0.00 C ATOM 1114 O ARG A 71 -5.789 9.194 -4.202 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.267 11.669 -2.597 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.695 12.580 -3.735 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.190 12.851 -3.700 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.780 12.852 -5.037 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.125 11.748 -5.697 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.939 10.553 -5.150 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.658 11.840 -6.908 1.00 0.00 N ATOM 0 H ARG A 71 -5.224 13.077 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.702 10.366 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.972 10.841 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.328 12.223 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.152 13.523 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.429 12.123 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.681 12.094 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.372 13.814 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.937 13.752 -5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.530 10.476 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.205 9.711 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.803 12.756 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.923 10.995 -7.414 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.406 11.212 -5.127 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.201 10.671 -6.460 1.00 0.00 C ATOM 1137 C GLN A 72 -3.857 9.956 -6.519 1.00 0.00 C ATOM 1138 O GLN A 72 -3.708 8.928 -7.185 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.253 11.789 -7.505 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.492 11.744 -8.383 1.00 0.00 C ATOM 1141 CD GLN A 72 -7.034 13.125 -8.697 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -6.293 14.108 -8.709 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -8.334 13.207 -8.954 1.00 0.00 N ATOM 0 H GLN A 72 -5.316 12.226 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.996 9.959 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.213 12.752 -6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.367 11.725 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.254 11.230 -9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.265 11.159 -7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.912 12.367 -8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.755 14.110 -9.172 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.882 10.510 -5.804 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.546 9.939 -5.755 1.00 0.00 C ATOM 1154 C GLU A 73 -1.572 8.534 -5.171 1.00 0.00 C ATOM 1155 O GLU A 73 -0.964 7.618 -5.724 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.611 10.829 -4.931 1.00 0.00 C ATOM 1157 CG GLU A 73 0.404 11.587 -5.771 1.00 0.00 C ATOM 1158 CD GLU A 73 -0.246 12.479 -6.810 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -1.157 12.000 -7.518 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.156 13.657 -6.916 1.00 0.00 O ATOM 0 H GLU A 73 -2.996 11.358 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.171 9.881 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.208 11.544 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.081 10.212 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.030 12.194 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.061 10.875 -6.270 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.300 8.351 -4.069 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.416 7.040 -3.449 1.00 0.00 C ATOM 1169 C LEU A 74 -3.202 6.098 -4.348 1.00 0.00 C ATOM 1170 O LEU A 74 -2.828 4.945 -4.540 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.098 7.154 -2.085 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.502 8.207 -1.149 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.515 8.611 -0.088 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.229 7.683 -0.502 1.00 0.00 C ATOM 0 H LEU A 74 -2.814 9.092 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.414 6.636 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.152 7.383 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.053 6.183 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.251 9.090 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.074 9.361 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.400 9.026 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.797 7.736 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.818 8.444 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.456 6.785 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.500 7.443 -1.276 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.310 6.603 -4.881 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.174 5.812 -5.751 1.00 0.00 C ATOM 1188 C ASN A 75 -4.370 5.188 -6.890 1.00 0.00 C ATOM 1189 O ASN A 75 -4.608 4.044 -7.278 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.320 6.686 -6.289 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.432 6.680 -7.804 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.848 5.689 -8.405 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.058 7.791 -8.428 1.00 0.00 N ATOM 0 H ASN A 75 -4.631 7.558 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.608 4.997 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.261 6.339 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.174 7.711 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.109 7.847 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.719 8.589 -7.890 1.00 0.00 H new ATOM 1200 N THR A 76 -3.409 5.941 -7.409 1.00 0.00 N ATOM 1201 CA THR A 76 -2.562 5.451 -8.489 1.00 0.00 C ATOM 1202 C THR A 76 -1.450 4.562 -7.939 1.00 0.00 C ATOM 1203 O THR A 76 -1.228 3.453 -8.418 1.00 0.00 O ATOM 1204 CB THR A 76 -1.956 6.626 -9.257 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.585 7.669 -8.370 1.00 0.00 O ATOM 1206 CG2 THR A 76 -2.889 7.209 -10.296 1.00 0.00 C ATOM 0 H THR A 76 -3.197 6.890 -7.101 1.00 0.00 H new ATOM 0 HA THR A 76 -3.177 4.860 -9.167 1.00 0.00 H new ATOM 0 HB THR A 76 -1.084 6.218 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.384 8.166 -8.097 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.396 8.038 -10.803 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.148 6.441 -11.024 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.796 7.569 -9.810 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.747 5.077 -6.935 1.00 0.00 N ATOM 1215 CA LEU A 77 0.362 4.361 -6.309 1.00 0.00 C ATOM 1216 C LEU A 77 -0.064 2.993 -5.773 1.00 0.00 C ATOM 1217 O LEU A 77 0.727 2.050 -5.760 1.00 0.00 O ATOM 1218 CB LEU A 77 0.951 5.203 -5.175 1.00 0.00 C ATOM 1219 CG LEU A 77 2.273 5.896 -5.504 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.664 6.853 -4.389 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.367 4.866 -5.735 1.00 0.00 C ATOM 0 H LEU A 77 -0.928 5.997 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 77 1.117 4.192 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.222 5.961 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.101 4.562 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 77 2.144 6.473 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.608 7.338 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.888 7.609 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.777 6.299 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.302 5.375 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.496 4.264 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.088 4.220 -6.567 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.306 2.895 -5.314 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.825 1.649 -4.756 1.00 0.00 C ATOM 1235 C ALA A 78 -2.142 0.617 -5.836 1.00 0.00 C ATOM 1236 O ALA A 78 -2.047 -0.588 -5.596 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.065 1.930 -3.922 1.00 0.00 C ATOM 0 H ALA A 78 -1.975 3.665 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.044 1.226 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.446 0.996 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.810 2.609 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.830 2.388 -4.550 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.532 1.085 -7.017 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.877 0.188 -8.118 1.00 0.00 C ATOM 1245 C ASN A 79 -1.774 -0.841 -8.384 1.00 0.00 C ATOM 1246 O ASN A 79 -2.047 -2.038 -8.477 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.150 0.995 -9.389 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.342 0.465 -10.165 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.419 1.061 -10.154 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -4.153 -0.661 -10.843 1.00 0.00 N ATOM 0 H ASN A 79 -2.617 2.077 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.777 -0.355 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.327 2.037 -9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.266 0.974 -10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.918 -1.066 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.243 -1.121 -10.824 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.511 -0.395 -8.521 1.00 0.00 N ATOM 1258 CA PRO A 80 0.618 -1.293 -8.786 1.00 0.00 C ATOM 1259 C PRO A 80 0.969 -2.184 -7.597 1.00 0.00 C ATOM 1260 O PRO A 80 1.384 -3.331 -7.776 1.00 0.00 O ATOM 1261 CB PRO A 80 1.772 -0.338 -9.096 1.00 0.00 C ATOM 1262 CG PRO A 80 1.415 0.927 -8.400 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.085 1.015 -8.445 1.00 0.00 C ATOM 0 HA PRO A 80 0.389 -1.989 -9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.721 -0.734 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.879 -0.182 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.775 0.921 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.871 1.786 -8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.485 1.508 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.428 1.585 -9.309 1.00 0.00 H new ATOM 1271 N PHE A 81 0.801 -1.665 -6.382 1.00 0.00 N ATOM 1272 CA PHE A 81 1.103 -2.430 -5.177 1.00 0.00 C ATOM 1273 C PHE A 81 0.146 -3.609 -5.039 1.00 0.00 C ATOM 1274 O PHE A 81 0.570 -4.756 -4.894 1.00 0.00 O ATOM 1275 CB PHE A 81 1.000 -1.511 -3.953 1.00 0.00 C ATOM 1276 CG PHE A 81 0.905 -2.227 -2.632 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.608 -3.400 -2.406 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.117 -1.716 -1.613 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.526 -4.049 -1.188 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.029 -2.360 -0.394 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.735 -3.528 -0.181 1.00 0.00 C ATOM 0 H PHE A 81 0.458 -0.720 -6.208 1.00 0.00 H new ATOM 0 HA PHE A 81 2.117 -2.824 -5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.871 -0.856 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.124 -0.873 -4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.227 -3.811 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.436 -0.802 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.079 -4.962 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.590 -1.951 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.669 -4.034 0.771 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.150 -3.317 -5.086 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.170 -4.349 -4.967 1.00 0.00 C ATOM 1293 C LEU A 82 -2.005 -5.401 -6.057 1.00 0.00 C ATOM 1294 O LEU A 82 -2.350 -6.566 -5.862 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.566 -3.728 -5.043 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.985 -2.927 -3.810 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.202 -2.069 -4.120 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.271 -3.859 -2.642 1.00 0.00 C ATOM 0 H LEU A 82 -1.517 -2.373 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.051 -4.835 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.610 -3.074 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.293 -4.524 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.163 -2.268 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.486 -1.506 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.963 -1.377 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.030 -2.709 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.568 -3.272 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.076 -4.543 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.374 -4.431 -2.405 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.466 -4.990 -7.201 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.249 -5.908 -8.309 1.00 0.00 C ATOM 1312 C ALA A 83 -0.138 -6.892 -7.975 1.00 0.00 C ATOM 1313 O ALA A 83 -0.289 -8.101 -8.156 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.915 -5.138 -9.577 1.00 0.00 C ATOM 0 H ALA A 83 -1.173 -4.030 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.167 -6.470 -8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.755 -5.839 -10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.740 -4.471 -9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.010 -4.552 -9.419 1.00 0.00 H new ATOM 1320 N LYS A 84 0.979 -6.369 -7.475 1.00 0.00 N ATOM 1321 CA LYS A 84 2.112 -7.208 -7.105 1.00 0.00 C ATOM 1322 C LYS A 84 1.696 -8.238 -6.060 1.00 0.00 C ATOM 1323 O LYS A 84 2.088 -9.404 -6.128 1.00 0.00 O ATOM 1324 CB LYS A 84 3.259 -6.351 -6.563 1.00 0.00 C ATOM 1325 CG LYS A 84 4.218 -5.866 -7.638 1.00 0.00 C ATOM 1326 CD LYS A 84 3.592 -4.775 -8.493 1.00 0.00 C ATOM 1327 CE LYS A 84 4.387 -4.540 -9.768 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.179 -3.281 -9.704 1.00 0.00 N ATOM 0 H LYS A 84 1.122 -5.371 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 84 2.454 -7.731 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.842 -5.488 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.816 -6.929 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.127 -5.487 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.510 -6.704 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.569 -5.053 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.538 -3.849 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.057 -5.382 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.706 -4.498 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.706 -3.157 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.538 -2.474 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.847 -3.331 -8.909 1.00 0.00 H new ATOM 1342 N TYR A 85 0.889 -7.801 -5.096 1.00 0.00 N ATOM 1343 CA TYR A 85 0.417 -8.691 -4.044 1.00 0.00 C ATOM 1344 C TYR A 85 -0.684 -9.607 -4.565 1.00 0.00 C ATOM 1345 O TYR A 85 -0.796 -10.757 -4.143 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.080 -7.897 -2.836 1.00 0.00 C ATOM 1347 CG TYR A 85 0.367 -8.485 -1.517 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.711 -8.723 -1.262 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.556 -8.811 -0.531 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.126 -9.268 -0.062 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.149 -9.356 0.674 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.192 -9.581 0.902 1.00 0.00 C ATOM 1353 OH TYR A 85 1.601 -10.124 2.099 1.00 0.00 O ATOM 0 H TYR A 85 0.551 -6.841 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 85 1.258 -9.307 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.279 -6.871 -2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.169 -7.856 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.445 -8.478 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.607 -8.636 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.175 -9.448 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.878 -9.604 1.432 1.00 0.00 H new ATOM 0 HH TYR A 85 1.319 -11.061 2.147 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.489 -9.096 -5.490 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.571 -9.882 -6.073 1.00 0.00 C ATOM 1365 C ARG A 86 -1.999 -11.022 -6.909 1.00 0.00 C ATOM 1366 O ARG A 86 -2.495 -12.150 -6.870 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.470 -8.996 -6.937 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.653 -8.411 -6.182 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.858 -9.336 -6.231 1.00 0.00 C ATOM 1370 NE ARG A 86 -7.118 -8.598 -6.182 1.00 0.00 N ATOM 1371 CZ ARG A 86 -7.659 -8.125 -5.061 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -7.051 -8.305 -3.895 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.810 -7.468 -5.107 1.00 0.00 N ATOM 0 H ARG A 86 -1.414 -8.145 -5.851 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.170 -10.302 -5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.875 -8.182 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.840 -9.580 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.372 -8.233 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.917 -7.444 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.822 -9.931 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.814 -10.033 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.613 -8.435 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.165 -8.808 -3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.470 -7.940 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.280 -7.325 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.225 -7.105 -4.249 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.935 -10.721 -7.648 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.273 -11.718 -8.480 1.00 0.00 C ATOM 1389 C ASP A 87 0.500 -12.696 -7.603 1.00 0.00 C ATOM 1390 O ASP A 87 0.551 -13.895 -7.879 1.00 0.00 O ATOM 1391 CB ASP A 87 0.672 -11.040 -9.474 1.00 0.00 C ATOM 1392 CG ASP A 87 0.108 -11.012 -10.881 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.679 -10.091 -11.186 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.453 -11.910 -11.676 1.00 0.00 O ATOM 0 H ASP A 87 -0.513 -9.793 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.030 -12.266 -9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.870 -10.020 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.627 -11.565 -9.479 1.00 0.00 H new ATOM 1399 N PHE A 88 1.085 -12.167 -6.534 1.00 0.00 N ATOM 1400 CA PHE A 88 1.845 -12.973 -5.588 1.00 0.00 C ATOM 1401 C PHE A 88 0.911 -13.839 -4.745 1.00 0.00 C ATOM 1402 O PHE A 88 1.274 -14.928 -4.320 1.00 0.00 O ATOM 1403 CB PHE A 88 2.687 -12.074 -4.683 1.00 0.00 C ATOM 1404 CG PHE A 88 3.468 -12.825 -3.643 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.261 -13.905 -3.997 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.409 -12.449 -2.311 1.00 0.00 C ATOM 1407 CE1 PHE A 88 4.979 -14.597 -3.040 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.123 -13.137 -1.351 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.911 -14.212 -1.716 1.00 0.00 C ATOM 0 H PHE A 88 1.046 -11.175 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 88 2.509 -13.628 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.379 -11.499 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.032 -11.358 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.319 -14.209 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.797 -11.608 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.593 -15.438 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.066 -12.836 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.473 -14.750 -0.967 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.307 -13.355 -4.542 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.290 -14.113 -3.776 1.00 0.00 C ATOM 1421 C LEU A 89 -1.755 -15.300 -4.611 1.00 0.00 C ATOM 1422 O LEU A 89 -1.859 -16.428 -4.127 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.484 -13.223 -3.411 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.496 -12.694 -1.973 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -1.117 -12.188 -1.567 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -3.533 -11.592 -1.826 1.00 0.00 C ATOM 0 H LEU A 89 -0.636 -12.455 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.836 -14.469 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.503 -12.373 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.401 -13.788 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.762 -13.516 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.152 -11.818 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.396 -13.003 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.815 -11.381 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.531 -11.225 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.293 -10.773 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.520 -11.986 -2.068 1.00 0.00 H new