USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 4 MET CE :methyl 168:sc= -1.87 (180deg=-2.79) USER MOD Set 1.2: A 62 MET CE :methyl -115:sc= -6.89! (180deg=-9.04!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 175:sc= 0.471 (180deg=0) USER MOD Set 2.2: A 43 CYS SG : rot 31:sc= 0.413 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 18 THR OG1 : rot 110:sc= -4.3! USER MOD Single : A 23 THR OG1 : rot 111:sc= 1.31 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00997 USER MOD Single : A 28 CYS SG : rot -130:sc= -6.67! USER MOD Single : A 35 CYS SG : rot 84:sc= -7.52! USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.055 F(o=-2.1,f=-0.055) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.715 USER MOD Single : A 52 SER OG : rot 177:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.794 K(o=-0.79,f=-2.5!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.039) USER MOD Single : A 74 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.325 -1.984 -11.533 1.00 0.00 N ATOM 77 CA MET A 4 -2.444 -2.852 -10.762 1.00 0.00 C ATOM 78 C MET A 4 -2.977 -3.032 -9.344 1.00 0.00 C ATOM 79 O MET A 4 -4.142 -2.742 -9.072 1.00 0.00 O ATOM 80 CB MET A 4 -1.026 -2.277 -10.732 1.00 0.00 C ATOM 81 CG MET A 4 -0.446 -2.021 -12.113 1.00 0.00 C ATOM 82 SD MET A 4 1.357 -1.978 -12.112 1.00 0.00 S ATOM 83 CE MET A 4 1.655 -0.345 -11.443 1.00 0.00 C ATOM 0 HA MET A 4 -2.413 -3.830 -11.243 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.033 -1.343 -10.171 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.374 -2.966 -10.195 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.787 -2.799 -12.796 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.828 -1.074 -12.493 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.708 -0.246 -11.181 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.394 0.407 -12.188 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.044 -0.200 -10.552 1.00 0.00 H new ATOM 93 N PHE A 5 -2.127 -3.514 -8.443 1.00 0.00 N ATOM 94 CA PHE A 5 -2.535 -3.733 -7.060 1.00 0.00 C ATOM 95 C PHE A 5 -1.347 -3.649 -6.111 1.00 0.00 C ATOM 96 O PHE A 5 -0.192 -3.737 -6.530 1.00 0.00 O ATOM 97 CB PHE A 5 -3.212 -5.099 -6.927 1.00 0.00 C ATOM 98 CG PHE A 5 -2.293 -6.254 -7.205 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.967 -6.600 -8.508 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.756 -6.995 -6.165 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.122 -7.662 -8.766 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.910 -8.059 -6.418 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.593 -8.392 -7.720 1.00 0.00 C ATOM 0 H PHE A 5 -1.157 -3.759 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.240 -2.948 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.614 -5.200 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.058 -5.145 -7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.378 -6.033 -9.330 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.001 -6.739 -5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.875 -7.921 -9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.498 -8.629 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.068 -9.222 -7.920 1.00 0.00 H new ATOM 113 N LEU A 6 -1.643 -3.478 -4.827 1.00 0.00 N ATOM 114 CA LEU A 6 -0.606 -3.380 -3.807 1.00 0.00 C ATOM 115 C LEU A 6 -0.856 -4.374 -2.676 1.00 0.00 C ATOM 116 O LEU A 6 -1.997 -4.589 -2.267 1.00 0.00 O ATOM 117 CB LEU A 6 -0.555 -1.960 -3.246 1.00 0.00 C ATOM 118 CG LEU A 6 -1.844 -1.491 -2.576 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.866 -1.917 -1.117 1.00 0.00 C ATOM 120 CD2 LEU A 6 -1.994 0.021 -2.703 1.00 0.00 C ATOM 0 H LEU A 6 -2.595 -3.404 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 6 0.351 -3.620 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.257 -1.899 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.312 -1.273 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.689 -1.958 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.791 -1.576 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.808 -3.004 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.015 -1.478 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.918 0.337 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.147 0.512 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.023 0.296 -3.757 1.00 0.00 H new ATOM 132 N THR A 7 0.219 -4.975 -2.171 1.00 0.00 N ATOM 133 CA THR A 7 0.111 -5.942 -1.082 1.00 0.00 C ATOM 134 C THR A 7 0.491 -5.307 0.249 1.00 0.00 C ATOM 135 O THR A 7 1.658 -4.995 0.491 1.00 0.00 O ATOM 136 CB THR A 7 0.999 -7.160 -1.343 1.00 0.00 C ATOM 137 OG1 THR A 7 0.685 -7.768 -2.587 1.00 0.00 O ATOM 138 CG2 THR A 7 0.870 -8.217 -0.268 1.00 0.00 C ATOM 0 H THR A 7 1.171 -4.810 -2.497 1.00 0.00 H new ATOM 0 HA THR A 7 -0.928 -6.267 -1.033 1.00 0.00 H new ATOM 0 HB THR A 7 2.020 -6.779 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.268 -8.542 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.522 -9.058 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.158 -7.794 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.163 -8.561 -0.219 1.00 0.00 H new ATOM 146 N VAL A 8 -0.505 -5.125 1.111 1.00 0.00 N ATOM 147 CA VAL A 8 -0.286 -4.527 2.423 1.00 0.00 C ATOM 148 C VAL A 8 -0.017 -5.593 3.473 1.00 0.00 C ATOM 149 O VAL A 8 -0.307 -6.764 3.264 1.00 0.00 O ATOM 150 CB VAL A 8 -1.487 -3.670 2.864 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.095 -2.742 4.003 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.034 -2.873 1.691 1.00 0.00 C ATOM 0 H VAL A 8 -1.474 -5.384 0.923 1.00 0.00 H new ATOM 0 HA VAL A 8 0.589 -3.883 2.333 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.271 -4.338 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.958 -2.145 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.753 -3.333 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.293 -2.081 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.882 -2.274 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.255 -2.216 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.357 -3.556 0.906 1.00 0.00 H new ATOM 162 N TYR A 9 0.561 -5.182 4.595 1.00 0.00 N ATOM 163 CA TYR A 9 0.890 -6.109 5.668 1.00 0.00 C ATOM 164 C TYR A 9 0.038 -5.864 6.902 1.00 0.00 C ATOM 165 O TYR A 9 -0.121 -4.724 7.357 1.00 0.00 O ATOM 166 CB TYR A 9 2.374 -6.015 6.017 1.00 0.00 C ATOM 167 CG TYR A 9 3.247 -6.884 5.140 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.221 -7.703 5.693 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.096 -6.883 3.759 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.022 -8.498 4.892 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.892 -7.675 2.952 1.00 0.00 C ATOM 172 CZ TYR A 9 4.854 -8.479 3.524 1.00 0.00 C ATOM 173 OH TYR A 9 5.649 -9.268 2.726 1.00 0.00 O ATOM 0 H TYR A 9 0.811 -4.212 4.785 1.00 0.00 H new ATOM 0 HA TYR A 9 0.673 -7.116 5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.697 -4.978 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.515 -6.303 7.059 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.356 -7.720 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.344 -6.253 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.776 -9.131 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.761 -7.664 1.880 1.00 0.00 H new ATOM 0 HH TYR A 9 5.401 -9.138 1.787 1.00 0.00 H new ATOM 183 N LEU A 10 -0.505 -6.955 7.430 1.00 0.00 N ATOM 184 CA LEU A 10 -1.353 -6.908 8.611 1.00 0.00 C ATOM 185 C LEU A 10 -0.546 -7.188 9.872 1.00 0.00 C ATOM 186 O LEU A 10 0.255 -8.122 9.915 1.00 0.00 O ATOM 187 CB LEU A 10 -2.480 -7.934 8.491 1.00 0.00 C ATOM 188 CG LEU A 10 -3.320 -7.832 7.220 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.701 -8.656 6.099 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.750 -8.277 7.490 1.00 0.00 C ATOM 0 H LEU A 10 -0.369 -7.893 7.052 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.777 -5.906 8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.047 -8.933 8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.139 -7.828 9.352 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.340 -6.789 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.315 -8.570 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.697 -8.288 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.647 -9.701 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.335 -8.198 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.750 -9.312 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.190 -7.640 8.257 1.00 0.00 H new ATOM 241 N GLU A 14 5.891 -10.170 8.996 1.00 0.00 N ATOM 242 CA GLU A 14 6.525 -10.084 7.684 1.00 0.00 C ATOM 243 C GLU A 14 5.991 -11.158 6.735 1.00 0.00 C ATOM 244 O GLU A 14 6.550 -11.376 5.660 1.00 0.00 O ATOM 245 CB GLU A 14 8.044 -10.218 7.820 1.00 0.00 C ATOM 246 CG GLU A 14 8.775 -8.884 7.794 1.00 0.00 C ATOM 247 CD GLU A 14 9.727 -8.716 8.962 1.00 0.00 C ATOM 248 OE1 GLU A 14 9.383 -7.973 9.905 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.816 -9.327 8.933 1.00 0.00 O ATOM 0 HA GLU A 14 6.285 -9.108 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.273 -10.731 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.419 -10.845 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.332 -8.798 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.045 -8.074 7.806 1.00 0.00 H new ATOM 256 N GLN A 15 4.912 -11.827 7.135 1.00 0.00 N ATOM 257 CA GLN A 15 4.319 -12.875 6.308 1.00 0.00 C ATOM 258 C GLN A 15 2.814 -12.704 6.170 1.00 0.00 C ATOM 259 O GLN A 15 2.201 -13.347 5.317 1.00 0.00 O ATOM 260 CB GLN A 15 4.642 -14.257 6.876 1.00 0.00 C ATOM 261 CG GLN A 15 4.500 -14.342 8.388 1.00 0.00 C ATOM 262 CD GLN A 15 4.826 -15.722 8.924 1.00 0.00 C ATOM 263 OE1 GLN A 15 4.049 -16.306 9.679 1.00 0.00 O ATOM 264 NE2 GLN A 15 5.982 -16.250 8.537 1.00 0.00 N ATOM 0 H GLN A 15 4.433 -11.664 8.021 1.00 0.00 H new ATOM 0 HA GLN A 15 4.756 -12.788 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.983 -14.993 6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.662 -14.525 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.160 -13.610 8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.481 -14.078 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.596 -15.730 7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.256 -17.175 8.867 1.00 0.00 H new ATOM 273 N HIS A 16 2.208 -11.819 6.961 1.00 0.00 N ATOM 274 CA HIS A 16 0.781 -11.601 6.818 1.00 0.00 C ATOM 275 C HIS A 16 0.582 -10.334 6.016 1.00 0.00 C ATOM 276 O HIS A 16 1.041 -9.258 6.397 1.00 0.00 O ATOM 277 CB HIS A 16 0.133 -11.452 8.199 1.00 0.00 C ATOM 278 CG HIS A 16 -1.362 -11.390 8.181 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.112 -11.433 7.026 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.247 -11.266 9.197 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.394 -11.335 7.334 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.503 -11.232 8.648 1.00 0.00 N ATOM 0 H HIS A 16 2.668 -11.262 7.681 1.00 0.00 H new ATOM 0 HA HIS A 16 0.318 -12.448 6.311 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.441 -12.291 8.823 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.516 -10.546 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.008 -11.205 10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.214 -11.338 6.631 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.377 -11.142 9.167 1.00 0.00 H new ATOM 291 N PHE A 17 -0.102 -10.474 4.898 1.00 0.00 N ATOM 292 CA PHE A 17 -0.365 -9.352 4.024 1.00 0.00 C ATOM 293 C PHE A 17 -1.729 -9.450 3.383 1.00 0.00 C ATOM 294 O PHE A 17 -2.294 -10.537 3.255 1.00 0.00 O ATOM 295 CB PHE A 17 0.704 -9.250 2.946 1.00 0.00 C ATOM 296 CG PHE A 17 0.985 -10.559 2.291 1.00 0.00 C ATOM 297 CD1 PHE A 17 0.165 -11.027 1.272 1.00 0.00 C ATOM 298 CD2 PHE A 17 2.068 -11.326 2.700 1.00 0.00 C ATOM 299 CE1 PHE A 17 0.431 -12.246 0.672 1.00 0.00 C ATOM 300 CE2 PHE A 17 2.335 -12.537 2.107 1.00 0.00 C ATOM 301 CZ PHE A 17 1.517 -13.002 1.090 1.00 0.00 C ATOM 0 H PHE A 17 -0.487 -11.361 4.573 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.343 -8.452 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.386 -8.531 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.623 -8.864 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.681 -10.439 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.708 -10.967 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.206 -12.608 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.180 -13.125 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.725 -13.953 0.622 1.00 0.00 H new ATOM 311 N THR A 18 -2.221 -8.323 2.922 1.00 0.00 N ATOM 312 CA THR A 18 -3.480 -8.290 2.220 1.00 0.00 C ATOM 313 C THR A 18 -3.321 -7.457 0.961 1.00 0.00 C ATOM 314 O THR A 18 -3.054 -6.257 1.026 1.00 0.00 O ATOM 315 CB THR A 18 -4.597 -7.733 3.103 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.848 -7.826 2.445 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.388 -6.285 3.490 1.00 0.00 C ATOM 0 H THR A 18 -1.766 -7.416 3.022 1.00 0.00 H new ATOM 0 HA THR A 18 -3.763 -9.308 1.951 1.00 0.00 H new ATOM 0 HB THR A 18 -4.580 -8.340 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.400 -8.506 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.216 -5.953 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.453 -6.187 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.344 -5.671 2.591 1.00 0.00 H new ATOM 325 N GLU A 19 -3.461 -8.105 -0.185 1.00 0.00 N ATOM 326 CA GLU A 19 -3.304 -7.426 -1.460 1.00 0.00 C ATOM 327 C GLU A 19 -4.643 -6.939 -1.982 1.00 0.00 C ATOM 328 O GLU A 19 -5.692 -7.489 -1.647 1.00 0.00 O ATOM 329 CB GLU A 19 -2.631 -8.349 -2.475 1.00 0.00 C ATOM 330 CG GLU A 19 -3.109 -9.792 -2.414 1.00 0.00 C ATOM 331 CD GLU A 19 -2.870 -10.542 -3.710 1.00 0.00 C ATOM 332 OE1 GLU A 19 -1.812 -10.323 -4.337 1.00 0.00 O ATOM 333 OE2 GLU A 19 -3.741 -11.349 -4.099 1.00 0.00 O ATOM 0 H GLU A 19 -3.683 -9.098 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.666 -6.555 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.809 -7.960 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.554 -8.327 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.596 -10.306 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.174 -9.808 -2.180 1.00 0.00 H new ATOM 340 N VAL A 20 -4.602 -5.877 -2.777 1.00 0.00 N ATOM 341 CA VAL A 20 -5.825 -5.293 -3.309 1.00 0.00 C ATOM 342 C VAL A 20 -5.600 -4.543 -4.621 1.00 0.00 C ATOM 343 O VAL A 20 -4.679 -3.731 -4.733 1.00 0.00 O ATOM 344 CB VAL A 20 -6.428 -4.307 -2.295 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.980 -5.051 -1.091 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.383 -3.280 -1.870 1.00 0.00 C ATOM 0 H VAL A 20 -3.744 -5.407 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.503 -6.126 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.253 -3.778 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.403 -4.337 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.757 -5.743 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.177 -5.608 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.824 -2.588 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.537 -3.791 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.041 -2.726 -2.744 1.00 0.00 H new ATOM 356 N PRO A 21 -6.470 -4.779 -5.622 1.00 0.00 N ATOM 357 CA PRO A 21 -6.400 -4.104 -6.910 1.00 0.00 C ATOM 358 C PRO A 21 -7.174 -2.793 -6.872 1.00 0.00 C ATOM 359 O PRO A 21 -8.308 -2.755 -6.393 1.00 0.00 O ATOM 360 CB PRO A 21 -7.069 -5.105 -7.845 1.00 0.00 C ATOM 361 CG PRO A 21 -8.099 -5.780 -6.999 1.00 0.00 C ATOM 362 CD PRO A 21 -7.619 -5.703 -5.565 1.00 0.00 C ATOM 0 HA PRO A 21 -5.386 -3.840 -7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.524 -4.606 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.349 -5.821 -8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.067 -5.291 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.230 -6.818 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.399 -5.329 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.325 -6.683 -5.189 1.00 0.00 H new ATOM 370 N VAL A 22 -6.561 -1.717 -7.343 1.00 0.00 N ATOM 371 CA VAL A 22 -7.217 -0.414 -7.314 1.00 0.00 C ATOM 372 C VAL A 22 -6.862 0.442 -8.522 1.00 0.00 C ATOM 373 O VAL A 22 -5.733 0.423 -9.013 1.00 0.00 O ATOM 374 CB VAL A 22 -6.861 0.373 -6.016 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.647 -0.231 -5.325 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.618 1.854 -6.303 1.00 0.00 C ATOM 0 H VAL A 22 -5.624 -1.717 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.287 -0.618 -7.337 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.719 0.293 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.421 0.338 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.858 -1.266 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.791 -0.197 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.373 2.369 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.791 1.958 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.517 2.293 -6.735 1.00 0.00 H new ATOM 386 N THR A 23 -7.833 1.237 -8.948 1.00 0.00 N ATOM 387 CA THR A 23 -7.643 2.167 -10.046 1.00 0.00 C ATOM 388 C THR A 23 -7.309 3.523 -9.441 1.00 0.00 C ATOM 389 O THR A 23 -7.437 3.698 -8.231 1.00 0.00 O ATOM 390 CB THR A 23 -8.906 2.258 -10.906 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.038 1.815 -10.180 1.00 0.00 O ATOM 392 CG2 THR A 23 -8.825 1.437 -12.175 1.00 0.00 C ATOM 0 H THR A 23 -8.769 1.254 -8.543 1.00 0.00 H new ATOM 0 HA THR A 23 -6.836 1.828 -10.695 1.00 0.00 H new ATOM 0 HB THR A 23 -8.997 3.310 -11.178 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.621 2.578 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.752 1.545 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.989 1.786 -12.781 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.676 0.388 -11.921 1.00 0.00 H new ATOM 400 N PRO A 24 -6.873 4.506 -10.232 1.00 0.00 N ATOM 401 CA PRO A 24 -6.535 5.814 -9.682 1.00 0.00 C ATOM 402 C PRO A 24 -7.773 6.590 -9.241 1.00 0.00 C ATOM 403 O PRO A 24 -8.063 7.674 -9.748 1.00 0.00 O ATOM 404 CB PRO A 24 -5.814 6.508 -10.830 1.00 0.00 C ATOM 405 CG PRO A 24 -6.348 5.861 -12.064 1.00 0.00 C ATOM 406 CD PRO A 24 -6.670 4.436 -11.691 1.00 0.00 C ATOM 0 HA PRO A 24 -5.926 5.742 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.010 7.580 -10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.734 6.381 -10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.238 6.380 -12.421 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.614 5.896 -12.869 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.562 4.077 -12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.857 3.758 -11.952 1.00 0.00 H new ATOM 414 N GLU A 25 -8.491 6.016 -8.278 1.00 0.00 N ATOM 415 CA GLU A 25 -9.697 6.622 -7.730 1.00 0.00 C ATOM 416 C GLU A 25 -9.719 6.439 -6.216 1.00 0.00 C ATOM 417 O GLU A 25 -9.806 7.408 -5.463 1.00 0.00 O ATOM 418 CB GLU A 25 -10.945 5.996 -8.355 1.00 0.00 C ATOM 419 CG GLU A 25 -11.107 6.307 -9.834 1.00 0.00 C ATOM 420 CD GLU A 25 -10.631 5.174 -10.723 1.00 0.00 C ATOM 421 OE1 GLU A 25 -9.746 5.415 -11.570 1.00 0.00 O ATOM 422 OE2 GLU A 25 -11.144 4.045 -10.571 1.00 0.00 O ATOM 0 H GLU A 25 -8.251 5.118 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.694 7.687 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.904 4.915 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.826 6.350 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.156 6.514 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.549 7.212 -10.075 1.00 0.00 H new ATOM 429 N THR A 26 -9.612 5.186 -5.778 1.00 0.00 N ATOM 430 CA THR A 26 -9.589 4.874 -4.353 1.00 0.00 C ATOM 431 C THR A 26 -8.168 4.991 -3.827 1.00 0.00 C ATOM 432 O THR A 26 -7.210 4.772 -4.567 1.00 0.00 O ATOM 433 CB THR A 26 -10.127 3.471 -4.088 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.569 2.535 -4.993 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.633 3.383 -4.193 1.00 0.00 C ATOM 0 H THR A 26 -9.540 4.373 -6.389 1.00 0.00 H new ATOM 0 HA THR A 26 -10.231 5.586 -3.835 1.00 0.00 H new ATOM 0 HB THR A 26 -9.837 3.238 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.927 1.643 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.952 2.360 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.088 4.054 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.945 3.672 -5.197 1.00 0.00 H new ATOM 443 N ILE A 27 -8.023 5.339 -2.555 1.00 0.00 N ATOM 444 CA ILE A 27 -6.687 5.476 -1.978 1.00 0.00 C ATOM 445 C ILE A 27 -6.574 4.902 -0.566 1.00 0.00 C ATOM 446 O ILE A 27 -7.327 5.269 0.335 1.00 0.00 O ATOM 447 CB ILE A 27 -6.314 6.970 -1.910 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.166 7.699 -0.856 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.482 7.626 -3.270 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.639 7.332 -0.858 1.00 0.00 C ATOM 0 H ILE A 27 -8.793 5.528 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.013 4.913 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.267 7.044 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.755 7.487 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.074 8.773 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.214 8.680 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.833 7.133 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.520 7.536 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.156 7.896 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.072 7.571 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.748 6.265 -0.664 1.00 0.00 H new ATOM 462 N CYS A 28 -5.576 4.044 -0.375 1.00 0.00 N ATOM 463 CA CYS A 28 -5.271 3.439 0.924 1.00 0.00 C ATOM 464 C CYS A 28 -6.530 3.095 1.717 1.00 0.00 C ATOM 465 O CYS A 28 -6.485 2.949 2.942 1.00 0.00 O ATOM 466 CB CYS A 28 -4.352 4.342 1.731 1.00 0.00 C ATOM 467 SG CYS A 28 -3.226 3.451 2.828 1.00 0.00 S ATOM 0 H CYS A 28 -4.949 3.745 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.756 2.499 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.766 4.954 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.960 5.023 2.326 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.290 3.960 4.022 1.00 0.00 H new ATOM 473 N ARG A 29 -7.637 2.926 1.015 1.00 0.00 N ATOM 474 CA ARG A 29 -8.893 2.567 1.648 1.00 0.00 C ATOM 475 C ARG A 29 -8.901 1.074 1.832 1.00 0.00 C ATOM 476 O ARG A 29 -9.235 0.555 2.895 1.00 0.00 O ATOM 477 CB ARG A 29 -10.081 3.012 0.789 1.00 0.00 C ATOM 478 CG ARG A 29 -11.128 3.800 1.559 1.00 0.00 C ATOM 479 CD ARG A 29 -11.751 4.891 0.700 1.00 0.00 C ATOM 480 NE ARG A 29 -13.136 4.586 0.348 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.976 5.468 -0.188 1.00 0.00 C ATOM 482 NH1 ARG A 29 -13.573 6.708 -0.440 1.00 0.00 N ATOM 483 NH2 ARG A 29 -15.219 5.112 -0.475 1.00 0.00 N ATOM 0 H ARG A 29 -7.691 3.032 0.002 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.986 3.068 2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.714 3.622 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.551 2.132 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.907 3.124 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.671 4.247 2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.713 5.840 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.164 5.015 -0.210 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.479 3.642 0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.616 6.987 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.220 7.381 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.534 4.161 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.862 5.789 -0.886 1.00 0.00 H new ATOM 497 N ASP A 30 -8.472 0.396 0.782 1.00 0.00 N ATOM 498 CA ASP A 30 -8.366 -1.050 0.807 1.00 0.00 C ATOM 499 C ASP A 30 -7.199 -1.447 1.703 1.00 0.00 C ATOM 500 O ASP A 30 -7.240 -2.473 2.384 1.00 0.00 O ATOM 501 CB ASP A 30 -8.159 -1.601 -0.606 1.00 0.00 C ATOM 502 CG ASP A 30 -9.463 -1.994 -1.271 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.487 -3.035 -1.963 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.460 -1.262 -1.099 1.00 0.00 O ATOM 0 H ASP A 30 -8.191 0.826 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.291 -1.471 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.656 -0.850 -1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.501 -2.469 -0.562 1.00 0.00 H new ATOM 509 N VAL A 31 -6.159 -0.609 1.706 1.00 0.00 N ATOM 510 CA VAL A 31 -4.977 -0.851 2.522 1.00 0.00 C ATOM 511 C VAL A 31 -5.333 -0.823 4.007 1.00 0.00 C ATOM 512 O VAL A 31 -5.032 -1.764 4.746 1.00 0.00 O ATOM 513 CB VAL A 31 -3.893 0.212 2.226 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.674 0.059 3.134 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.480 0.152 0.764 1.00 0.00 C ATOM 0 H VAL A 31 -6.116 0.244 1.149 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.588 -1.838 2.272 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.329 1.189 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.940 0.827 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.980 0.167 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.232 -0.926 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.717 0.906 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.079 -0.836 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.348 0.344 0.133 1.00 0.00 H new ATOM 525 N VAL A 32 -5.989 0.251 4.439 1.00 0.00 N ATOM 526 CA VAL A 32 -6.385 0.378 5.835 1.00 0.00 C ATOM 527 C VAL A 32 -7.551 -0.548 6.172 1.00 0.00 C ATOM 528 O VAL A 32 -7.509 -1.275 7.161 1.00 0.00 O ATOM 529 CB VAL A 32 -6.762 1.828 6.186 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.261 1.918 7.621 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.565 2.739 5.974 1.00 0.00 C ATOM 0 H VAL A 32 -6.255 1.038 3.847 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.521 0.087 6.432 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.568 2.152 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.523 2.951 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.141 1.285 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.478 1.582 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.839 3.764 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.744 2.416 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.252 2.692 4.931 1.00 0.00 H new ATOM 541 N ASP A 33 -8.594 -0.507 5.348 1.00 0.00 N ATOM 542 CA ASP A 33 -9.779 -1.333 5.567 1.00 0.00 C ATOM 543 C ASP A 33 -9.418 -2.798 5.806 1.00 0.00 C ATOM 544 O ASP A 33 -9.993 -3.448 6.679 1.00 0.00 O ATOM 545 CB ASP A 33 -10.734 -1.230 4.375 1.00 0.00 C ATOM 546 CG ASP A 33 -11.483 0.088 4.345 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.698 0.674 5.427 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.854 0.534 3.240 1.00 0.00 O ATOM 0 H ASP A 33 -8.643 0.089 4.522 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.271 -0.954 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.169 -1.345 3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.450 -2.051 4.415 1.00 0.00 H new ATOM 553 N LEU A 34 -8.481 -3.322 5.022 1.00 0.00 N ATOM 554 CA LEU A 34 -8.082 -4.717 5.161 1.00 0.00 C ATOM 555 C LEU A 34 -7.071 -4.914 6.288 1.00 0.00 C ATOM 556 O LEU A 34 -7.091 -5.940 6.969 1.00 0.00 O ATOM 557 CB LEU A 34 -7.508 -5.247 3.846 1.00 0.00 C ATOM 558 CG LEU A 34 -8.543 -5.831 2.882 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.920 -6.088 1.520 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.134 -7.113 3.449 1.00 0.00 C ATOM 0 H LEU A 34 -7.989 -2.808 4.292 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.979 -5.282 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.981 -4.436 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.769 -6.016 4.072 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.347 -5.105 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.672 -6.503 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.544 -5.151 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.097 -6.795 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.868 -7.515 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.340 -7.844 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.618 -6.900 4.402 1.00 0.00 H new ATOM 572 N CYS A 35 -6.182 -3.942 6.489 1.00 0.00 N ATOM 573 CA CYS A 35 -5.179 -4.056 7.540 1.00 0.00 C ATOM 574 C CYS A 35 -5.609 -3.348 8.817 1.00 0.00 C ATOM 575 O CYS A 35 -4.780 -2.868 9.589 1.00 0.00 O ATOM 576 CB CYS A 35 -3.839 -3.513 7.057 1.00 0.00 C ATOM 577 SG CYS A 35 -3.080 -4.481 5.736 1.00 0.00 S ATOM 0 H CYS A 35 -6.137 -3.080 5.946 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.071 -5.115 7.774 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.979 -2.490 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.151 -3.470 7.902 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.574 -4.114 4.591 1.00 0.00 H new ATOM 583 N LYS A 36 -6.908 -3.312 9.034 1.00 0.00 N ATOM 584 CA LYS A 36 -7.478 -2.691 10.227 1.00 0.00 C ATOM 585 C LYS A 36 -8.154 -3.740 11.104 1.00 0.00 C ATOM 586 O LYS A 36 -8.599 -4.778 10.616 1.00 0.00 O ATOM 587 CB LYS A 36 -8.487 -1.605 9.845 1.00 0.00 C ATOM 588 CG LYS A 36 -7.938 -0.191 9.960 1.00 0.00 C ATOM 589 CD LYS A 36 -7.367 0.077 11.344 1.00 0.00 C ATOM 590 CE LYS A 36 -5.849 -0.022 11.352 1.00 0.00 C ATOM 591 NZ LYS A 36 -5.215 1.191 11.941 1.00 0.00 N ATOM 0 H LYS A 36 -7.600 -3.708 8.397 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.665 -2.230 10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.819 -1.774 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.365 -1.697 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.162 -0.039 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.731 0.526 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.669 1.070 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.783 -0.638 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.546 -0.902 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.489 -0.161 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.187 1.049 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.413 2.014 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.602 1.358 12.892 1.00 0.00 H new ATOM 679 N CYS A 43 -4.409 6.740 11.235 1.00 0.00 N ATOM 680 CA CYS A 43 -3.417 5.734 10.869 1.00 0.00 C ATOM 681 C CYS A 43 -2.895 5.976 9.456 1.00 0.00 C ATOM 682 O CYS A 43 -3.595 6.538 8.615 1.00 0.00 O ATOM 683 CB CYS A 43 -4.019 4.331 10.972 1.00 0.00 C ATOM 684 SG CYS A 43 -5.645 4.167 10.198 1.00 0.00 S ATOM 0 HA CYS A 43 -2.581 5.813 11.564 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.335 3.619 10.510 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.100 4.058 12.024 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.729 4.981 9.188 1.00 0.00 H new ATOM 690 N HIS A 44 -1.661 5.550 9.202 1.00 0.00 N ATOM 691 CA HIS A 44 -1.046 5.724 7.890 1.00 0.00 C ATOM 692 C HIS A 44 -0.437 4.415 7.391 1.00 0.00 C ATOM 693 O HIS A 44 -0.135 3.514 8.177 1.00 0.00 O ATOM 694 CB HIS A 44 0.016 6.834 7.938 1.00 0.00 C ATOM 695 CG HIS A 44 1.431 6.337 8.018 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.346 6.104 7.046 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.049 6.016 9.207 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.486 5.650 7.662 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.281 5.607 8.965 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.068 5.082 9.887 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.825 6.020 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.087 7.457 7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.181 7.472 8.800 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.213 6.240 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.596 6.088 10.185 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.402 5.373 7.161 1.00 0.00 H new ATOM 708 N LEU A 45 -0.255 4.323 6.078 1.00 0.00 N ATOM 709 CA LEU A 45 0.322 3.137 5.471 1.00 0.00 C ATOM 710 C LEU A 45 1.784 3.397 5.134 1.00 0.00 C ATOM 711 O LEU A 45 2.157 4.524 4.830 1.00 0.00 O ATOM 712 CB LEU A 45 -0.476 2.762 4.219 1.00 0.00 C ATOM 713 CG LEU A 45 0.256 1.898 3.188 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.233 0.439 3.607 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.373 2.069 1.816 1.00 0.00 C ATOM 0 H LEU A 45 -0.500 5.059 5.416 1.00 0.00 H new ATOM 0 HA LEU A 45 0.275 2.301 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.377 2.234 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.799 3.681 3.730 1.00 0.00 H new ATOM 0 HG LEU A 45 1.295 2.224 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.757 -0.161 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.725 0.330 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.800 0.099 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.157 1.449 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.419 1.766 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.309 3.114 1.514 1.00 0.00 H new ATOM 727 N ALA A 46 2.609 2.361 5.197 1.00 0.00 N ATOM 728 CA ALA A 46 4.032 2.501 4.901 1.00 0.00 C ATOM 729 C ALA A 46 4.396 1.794 3.599 1.00 0.00 C ATOM 730 O ALA A 46 3.738 0.828 3.205 1.00 0.00 O ATOM 731 CB ALA A 46 4.864 1.954 6.052 1.00 0.00 C ATOM 0 H ALA A 46 2.320 1.416 5.450 1.00 0.00 H new ATOM 0 HA ALA A 46 4.251 3.562 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.923 2.064 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.633 2.507 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.632 0.899 6.199 1.00 0.00 H new ATOM 737 N GLU A 47 5.451 2.265 2.935 1.00 0.00 N ATOM 738 CA GLU A 47 5.891 1.644 1.691 1.00 0.00 C ATOM 739 C GLU A 47 7.417 1.511 1.658 1.00 0.00 C ATOM 740 O GLU A 47 8.142 2.503 1.575 1.00 0.00 O ATOM 741 CB GLU A 47 5.389 2.451 0.499 1.00 0.00 C ATOM 742 CG GLU A 47 6.132 3.758 0.268 1.00 0.00 C ATOM 743 CD GLU A 47 5.357 4.720 -0.611 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.485 4.629 -1.849 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.621 5.566 -0.059 1.00 0.00 O ATOM 0 H GLU A 47 6.009 3.064 3.234 1.00 0.00 H new ATOM 0 HA GLU A 47 5.469 0.641 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.469 1.838 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.331 2.669 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.334 4.232 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.097 3.547 -0.193 1.00 0.00 H new ATOM 752 N VAL A 48 7.888 0.266 1.723 1.00 0.00 N ATOM 753 CA VAL A 48 9.318 -0.037 1.699 1.00 0.00 C ATOM 754 C VAL A 48 9.670 -1.007 0.582 1.00 0.00 C ATOM 755 O VAL A 48 9.024 -2.045 0.436 1.00 0.00 O ATOM 756 CB VAL A 48 9.809 -0.619 3.039 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.328 -0.620 3.092 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.227 0.160 4.210 1.00 0.00 C ATOM 0 H VAL A 48 7.291 -0.558 1.794 1.00 0.00 H new ATOM 0 HA VAL A 48 9.821 0.913 1.521 1.00 0.00 H new ATOM 0 HB VAL A 48 9.463 -1.650 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.659 -1.034 4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.720 -1.228 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.696 0.401 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.586 -0.268 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.538 1.203 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.139 0.104 4.180 1.00 0.00 H new ATOM 768 N TRP A 49 10.704 -0.699 -0.187 1.00 0.00 N ATOM 769 CA TRP A 49 11.122 -1.596 -1.255 1.00 0.00 C ATOM 770 C TRP A 49 12.638 -1.574 -1.445 1.00 0.00 C ATOM 771 O TRP A 49 13.246 -0.509 -1.549 1.00 0.00 O ATOM 772 CB TRP A 49 10.379 -1.254 -2.547 1.00 0.00 C ATOM 773 CG TRP A 49 11.237 -0.737 -3.643 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.800 -1.433 -4.669 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.615 0.609 -3.809 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.507 -0.578 -5.478 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.412 0.692 -4.959 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.342 1.747 -3.077 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.947 1.901 -5.397 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.867 2.952 -3.503 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.667 3.021 -4.656 1.00 0.00 C ATOM 0 H TRP A 49 11.261 0.150 -0.095 1.00 0.00 H new ATOM 0 HA TRP A 49 10.860 -2.616 -0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.863 -2.147 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.614 -0.511 -2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.705 -2.498 -4.823 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.017 -0.841 -6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.730 1.696 -2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.559 1.955 -6.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.660 3.852 -2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 49 13.069 3.974 -4.965 1.00 0.00 H new ATOM 792 N CYS A 50 13.241 -2.760 -1.493 1.00 0.00 N ATOM 793 CA CYS A 50 14.685 -2.883 -1.677 1.00 0.00 C ATOM 794 C CYS A 50 15.447 -1.992 -0.699 1.00 0.00 C ATOM 795 O CYS A 50 16.499 -1.447 -1.032 1.00 0.00 O ATOM 796 CB CYS A 50 15.068 -2.522 -3.113 1.00 0.00 C ATOM 797 SG CYS A 50 14.453 -3.684 -4.355 1.00 0.00 S ATOM 0 H CYS A 50 12.751 -3.650 -1.407 1.00 0.00 H new ATOM 0 HA CYS A 50 14.959 -3.919 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.685 -1.527 -3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.154 -2.470 -3.186 1.00 0.00 H new ATOM 0 HG CYS A 50 14.826 -3.293 -5.537 1.00 0.00 H new ATOM 803 N GLY A 51 14.910 -1.852 0.508 1.00 0.00 N ATOM 804 CA GLY A 51 15.556 -1.029 1.513 1.00 0.00 C ATOM 805 C GLY A 51 15.027 0.393 1.533 1.00 0.00 C ATOM 806 O GLY A 51 15.197 1.109 2.520 1.00 0.00 O ATOM 0 H GLY A 51 14.040 -2.293 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.411 -1.480 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.630 -1.010 1.326 1.00 0.00 H new ATOM 810 N SER A 52 14.380 0.805 0.446 1.00 0.00 N ATOM 811 CA SER A 52 13.827 2.151 0.356 1.00 0.00 C ATOM 812 C SER A 52 12.500 2.234 1.099 1.00 0.00 C ATOM 813 O SER A 52 11.451 1.898 0.550 1.00 0.00 O ATOM 814 CB SER A 52 13.628 2.553 -1.108 1.00 0.00 C ATOM 815 OG SER A 52 14.719 3.326 -1.578 1.00 0.00 O ATOM 0 H SER A 52 14.227 0.228 -0.381 1.00 0.00 H new ATOM 0 HA SER A 52 14.534 2.840 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.520 1.659 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.704 3.123 -1.210 1.00 0.00 H new ATOM 0 HG SER A 52 14.593 3.526 -2.529 1.00 0.00 H new ATOM 821 N GLU A 53 12.554 2.683 2.346 1.00 0.00 N ATOM 822 CA GLU A 53 11.354 2.809 3.164 1.00 0.00 C ATOM 823 C GLU A 53 10.855 4.249 3.177 1.00 0.00 C ATOM 824 O GLU A 53 11.630 5.183 3.387 1.00 0.00 O ATOM 825 CB GLU A 53 11.635 2.341 4.594 1.00 0.00 C ATOM 826 CG GLU A 53 12.735 3.130 5.285 1.00 0.00 C ATOM 827 CD GLU A 53 12.881 2.765 6.749 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.303 1.626 7.037 1.00 0.00 O ATOM 829 OE2 GLU A 53 12.575 3.619 7.607 1.00 0.00 O ATOM 0 H GLU A 53 13.415 2.966 2.813 1.00 0.00 H new ATOM 0 HA GLU A 53 10.579 2.178 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.719 2.420 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.912 1.287 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.681 2.952 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.522 4.196 5.199 1.00 0.00 H new ATOM 836 N ARG A 54 9.557 4.424 2.953 1.00 0.00 N ATOM 837 CA ARG A 54 8.958 5.753 2.938 1.00 0.00 C ATOM 838 C ARG A 54 7.530 5.714 3.479 1.00 0.00 C ATOM 839 O ARG A 54 6.824 4.719 3.317 1.00 0.00 O ATOM 840 CB ARG A 54 8.959 6.321 1.518 1.00 0.00 C ATOM 841 CG ARG A 54 10.298 6.904 1.095 1.00 0.00 C ATOM 842 CD ARG A 54 10.773 6.314 -0.224 1.00 0.00 C ATOM 843 NE ARG A 54 11.882 7.074 -0.797 1.00 0.00 N ATOM 844 CZ ARG A 54 12.250 6.999 -2.073 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.601 6.201 -2.913 1.00 0.00 N ATOM 846 NH2 ARG A 54 13.270 7.722 -2.515 1.00 0.00 N ATOM 0 H ARG A 54 8.900 3.663 2.780 1.00 0.00 H new ATOM 0 HA ARG A 54 9.555 6.399 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.679 5.532 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.196 7.096 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.211 7.986 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.041 6.711 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.084 5.281 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.944 6.294 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 54 12.404 7.698 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.816 5.641 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.888 6.148 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.774 8.337 -1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.551 7.663 -3.494 1.00 0.00 H new ATOM 860 N PRO A 55 7.085 6.801 4.131 1.00 0.00 N ATOM 861 CA PRO A 55 5.737 6.887 4.692 1.00 0.00 C ATOM 862 C PRO A 55 4.688 7.180 3.626 1.00 0.00 C ATOM 863 O PRO A 55 4.847 8.099 2.822 1.00 0.00 O ATOM 864 CB PRO A 55 5.845 8.053 5.671 1.00 0.00 C ATOM 865 CG PRO A 55 6.887 8.939 5.079 1.00 0.00 C ATOM 866 CD PRO A 55 7.861 8.034 4.371 1.00 0.00 C ATOM 0 HA PRO A 55 5.420 5.951 5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.893 8.574 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.132 7.712 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.442 9.651 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.389 9.520 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.211 8.475 3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.743 7.839 4.982 1.00 0.00 H new ATOM 874 N VAL A 56 3.615 6.395 3.623 1.00 0.00 N ATOM 875 CA VAL A 56 2.543 6.575 2.653 1.00 0.00 C ATOM 876 C VAL A 56 1.251 7.036 3.334 1.00 0.00 C ATOM 877 O VAL A 56 0.780 6.432 4.306 1.00 0.00 O ATOM 878 CB VAL A 56 2.274 5.290 1.813 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.137 4.115 2.279 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.791 4.917 1.825 1.00 0.00 C ATOM 0 H VAL A 56 3.466 5.630 4.281 1.00 0.00 H new ATOM 0 HA VAL A 56 2.880 7.352 1.967 1.00 0.00 H new ATOM 0 HB VAL A 56 2.556 5.516 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.919 3.239 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.191 4.375 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.916 3.893 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.637 4.017 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.470 4.733 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.207 5.735 1.403 1.00 0.00 H new ATOM 890 N ALA A 57 0.681 8.108 2.796 1.00 0.00 N ATOM 891 CA ALA A 57 -0.554 8.668 3.319 1.00 0.00 C ATOM 892 C ALA A 57 -1.752 7.857 2.854 1.00 0.00 C ATOM 893 O ALA A 57 -1.791 7.379 1.718 1.00 0.00 O ATOM 894 CB ALA A 57 -0.694 10.110 2.872 1.00 0.00 C ATOM 0 H ALA A 57 1.060 8.608 1.992 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.519 8.632 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.621 10.525 3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.150 10.690 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.712 10.153 1.783 1.00 0.00 H new ATOM 900 N ASP A 58 -2.729 7.693 3.736 1.00 0.00 N ATOM 901 CA ASP A 58 -3.916 6.921 3.404 1.00 0.00 C ATOM 902 C ASP A 58 -4.672 7.521 2.224 1.00 0.00 C ATOM 903 O ASP A 58 -5.552 6.875 1.659 1.00 0.00 O ATOM 904 CB ASP A 58 -4.857 6.800 4.601 1.00 0.00 C ATOM 905 CG ASP A 58 -4.120 6.538 5.899 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.329 5.461 6.495 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.333 7.412 6.320 1.00 0.00 O ATOM 0 H ASP A 58 -2.723 8.081 4.679 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.568 5.927 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.437 7.718 4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.566 5.992 4.421 1.00 0.00 H new ATOM 912 N ASN A 59 -4.349 8.756 1.860 1.00 0.00 N ATOM 913 CA ASN A 59 -5.033 9.411 0.755 1.00 0.00 C ATOM 914 C ASN A 59 -4.234 9.328 -0.547 1.00 0.00 C ATOM 915 O ASN A 59 -4.449 10.122 -1.461 1.00 0.00 O ATOM 916 CB ASN A 59 -5.314 10.874 1.099 1.00 0.00 C ATOM 917 CG ASN A 59 -4.046 11.654 1.384 1.00 0.00 C ATOM 918 OD1 ASN A 59 -3.481 11.567 2.473 1.00 0.00 O ATOM 919 ND2 ASN A 59 -3.592 12.424 0.401 1.00 0.00 N ATOM 0 H ASN A 59 -3.626 9.318 2.309 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.974 8.884 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.848 11.343 0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.969 10.921 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.743 12.973 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.093 12.466 -0.487 1.00 0.00 H new ATOM 926 N GLU A 60 -3.312 8.371 -0.631 1.00 0.00 N ATOM 927 CA GLU A 60 -2.495 8.209 -1.831 1.00 0.00 C ATOM 928 C GLU A 60 -3.075 7.141 -2.761 1.00 0.00 C ATOM 929 O GLU A 60 -3.425 6.046 -2.323 1.00 0.00 O ATOM 930 CB GLU A 60 -1.064 7.843 -1.442 1.00 0.00 C ATOM 931 CG GLU A 60 -0.349 8.933 -0.659 1.00 0.00 C ATOM 932 CD GLU A 60 0.804 9.546 -1.430 1.00 0.00 C ATOM 933 OE1 GLU A 60 0.780 9.492 -2.678 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.731 10.081 -0.786 1.00 0.00 O ATOM 0 H GLU A 60 -3.113 7.701 0.112 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.493 9.157 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.080 6.930 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.495 7.624 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.062 9.715 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.025 8.517 0.276 1.00 0.00 H new ATOM 941 N ARG A 61 -3.165 7.469 -4.051 1.00 0.00 N ATOM 942 CA ARG A 61 -3.695 6.539 -5.047 1.00 0.00 C ATOM 943 C ARG A 61 -2.726 5.384 -5.265 1.00 0.00 C ATOM 944 O ARG A 61 -1.511 5.584 -5.286 1.00 0.00 O ATOM 945 CB ARG A 61 -3.963 7.270 -6.366 1.00 0.00 C ATOM 946 CG ARG A 61 -5.437 7.546 -6.626 1.00 0.00 C ATOM 947 CD ARG A 61 -5.690 9.015 -6.930 1.00 0.00 C ATOM 948 NE ARG A 61 -6.342 9.702 -5.815 1.00 0.00 N ATOM 949 CZ ARG A 61 -5.688 10.339 -4.844 1.00 0.00 C ATOM 950 NH1 ARG A 61 -4.361 10.388 -4.842 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.366 10.930 -3.871 1.00 0.00 N ATOM 0 H ARG A 61 -2.878 8.372 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.637 6.133 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.421 8.216 -6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.564 6.676 -7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.779 6.937 -7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.022 7.249 -5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.744 9.507 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.312 9.099 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.361 9.693 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.833 9.936 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.870 10.878 -4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.385 10.897 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.868 11.418 -3.126 1.00 0.00 H new ATOM 965 N MET A 62 -3.272 4.177 -5.424 1.00 0.00 N ATOM 966 CA MET A 62 -2.453 2.972 -5.629 1.00 0.00 C ATOM 967 C MET A 62 -1.200 3.295 -6.430 1.00 0.00 C ATOM 968 O MET A 62 -0.104 3.407 -5.877 1.00 0.00 O ATOM 969 CB MET A 62 -3.266 1.880 -6.333 1.00 0.00 C ATOM 970 CG MET A 62 -2.752 0.467 -6.085 1.00 0.00 C ATOM 971 SD MET A 62 -1.026 0.244 -6.554 1.00 0.00 S ATOM 972 CE MET A 62 -1.149 0.309 -8.340 1.00 0.00 C ATOM 0 H MET A 62 -4.277 4.004 -5.415 1.00 0.00 H new ATOM 0 HA MET A 62 -2.148 2.603 -4.650 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.302 1.942 -6.001 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.263 2.074 -7.406 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.868 0.226 -5.028 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.367 -0.239 -6.643 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.871 -0.658 -8.759 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.174 0.547 -8.626 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.478 1.077 -8.723 1.00 0.00 H new ATOM 982 N PHE A 63 -1.371 3.458 -7.731 1.00 0.00 N ATOM 983 CA PHE A 63 -0.247 3.783 -8.608 1.00 0.00 C ATOM 984 C PHE A 63 0.457 5.049 -8.137 1.00 0.00 C ATOM 985 O PHE A 63 1.677 5.165 -8.249 1.00 0.00 O ATOM 986 CB PHE A 63 -0.710 3.972 -10.057 1.00 0.00 C ATOM 987 CG PHE A 63 -1.820 3.052 -10.467 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.547 1.845 -11.086 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.138 3.399 -10.231 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.570 0.998 -11.462 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.166 2.558 -10.603 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.883 1.354 -11.219 1.00 0.00 C ATOM 0 H PHE A 63 -2.270 3.372 -8.206 1.00 0.00 H new ATOM 0 HA PHE A 63 0.449 2.945 -8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.038 5.003 -10.191 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.140 3.819 -10.722 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.522 1.563 -11.277 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.365 4.339 -9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.345 0.059 -11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.191 2.840 -10.413 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.686 0.693 -11.510 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.311 5.993 -7.595 1.00 0.00 N ATOM 1003 CA ASP A 64 0.257 7.242 -7.108 1.00 0.00 C ATOM 1004 C ASP A 64 1.382 6.957 -6.135 1.00 0.00 C ATOM 1005 O ASP A 64 2.419 7.620 -6.142 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.815 8.093 -6.435 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.455 9.565 -6.405 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -0.634 10.241 -7.439 1.00 0.00 O ATOM 1009 OD2 ASP A 64 0.005 10.041 -5.346 1.00 0.00 O ATOM 0 H ASP A 64 -1.322 5.915 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 64 0.654 7.796 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.760 7.964 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.968 7.739 -5.415 1.00 0.00 H new ATOM 1014 N VAL A 65 1.172 5.942 -5.315 1.00 0.00 N ATOM 1015 CA VAL A 65 2.168 5.529 -4.345 1.00 0.00 C ATOM 1016 C VAL A 65 3.245 4.705 -5.034 1.00 0.00 C ATOM 1017 O VAL A 65 4.400 4.696 -4.615 1.00 0.00 O ATOM 1018 CB VAL A 65 1.546 4.683 -3.218 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.550 4.465 -2.097 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.274 5.330 -2.688 1.00 0.00 C ATOM 0 H VAL A 65 0.316 5.387 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 65 2.596 6.431 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 65 1.279 3.711 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.092 3.865 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.424 3.945 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.854 5.429 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.145 4.712 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.506 6.320 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.451 5.422 -3.496 1.00 0.00 H new ATOM 1030 N LEU A 66 2.843 4.011 -6.097 1.00 0.00 N ATOM 1031 CA LEU A 66 3.748 3.162 -6.859 1.00 0.00 C ATOM 1032 C LEU A 66 4.616 3.974 -7.821 1.00 0.00 C ATOM 1033 O LEU A 66 5.533 3.435 -8.443 1.00 0.00 O ATOM 1034 CB LEU A 66 2.932 2.119 -7.627 1.00 0.00 C ATOM 1035 CG LEU A 66 3.238 0.664 -7.268 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.927 0.400 -5.802 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.448 -0.282 -8.160 1.00 0.00 C ATOM 0 H LEU A 66 1.886 4.023 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 66 4.422 2.665 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.873 2.306 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.106 2.258 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 66 4.301 0.485 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.151 -0.640 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.536 1.054 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.872 0.597 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.678 -1.313 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.381 -0.102 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.718 -0.110 -9.202 1.00 0.00 H new ATOM 1049 N GLN A 67 4.323 5.265 -7.946 1.00 0.00 N ATOM 1050 CA GLN A 67 5.081 6.135 -8.838 1.00 0.00 C ATOM 1051 C GLN A 67 6.212 6.850 -8.100 1.00 0.00 C ATOM 1052 O GLN A 67 7.113 7.408 -8.727 1.00 0.00 O ATOM 1053 CB GLN A 67 4.151 7.163 -9.483 1.00 0.00 C ATOM 1054 CG GLN A 67 4.535 7.523 -10.909 1.00 0.00 C ATOM 1055 CD GLN A 67 3.523 7.036 -11.928 1.00 0.00 C ATOM 1056 OE1 GLN A 67 3.457 5.845 -12.235 1.00 0.00 O ATOM 1057 NE2 GLN A 67 2.727 7.958 -12.457 1.00 0.00 N ATOM 0 H GLN A 67 3.568 5.730 -7.442 1.00 0.00 H new ATOM 0 HA GLN A 67 5.527 5.510 -9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.133 6.773 -9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.149 8.069 -8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.636 8.605 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.510 7.094 -11.138 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.817 8.933 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.025 7.691 -13.147 1.00 0.00 H new ATOM 1066 N ARG A 68 6.162 6.838 -6.769 1.00 0.00 N ATOM 1067 CA ARG A 68 7.188 7.493 -5.966 1.00 0.00 C ATOM 1068 C ARG A 68 8.438 6.625 -5.847 1.00 0.00 C ATOM 1069 O ARG A 68 9.550 7.140 -5.726 1.00 0.00 O ATOM 1070 CB ARG A 68 6.640 7.828 -4.577 1.00 0.00 C ATOM 1071 CG ARG A 68 6.401 6.612 -3.696 1.00 0.00 C ATOM 1072 CD ARG A 68 7.195 6.703 -2.405 1.00 0.00 C ATOM 1073 NE ARG A 68 6.447 7.384 -1.350 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.999 8.199 -0.451 1.00 0.00 C ATOM 1075 NH1 ARG A 68 8.306 8.429 -0.460 1.00 0.00 N ATOM 1076 NH2 ARG A 68 6.238 8.783 0.464 1.00 0.00 N ATOM 0 H ARG A 68 5.426 6.384 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 68 7.469 8.418 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.338 8.497 -4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.702 8.372 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.339 6.529 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.682 5.708 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.461 5.700 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.128 7.235 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 68 5.441 7.226 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.898 7.980 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.719 9.054 0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.233 8.608 0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.657 9.407 1.153 1.00 0.00 H new ATOM 1090 N PHE A 69 8.253 5.309 -5.889 1.00 0.00 N ATOM 1091 CA PHE A 69 9.374 4.380 -5.791 1.00 0.00 C ATOM 1092 C PHE A 69 10.323 4.557 -6.973 1.00 0.00 C ATOM 1093 O PHE A 69 11.486 4.922 -6.803 1.00 0.00 O ATOM 1094 CB PHE A 69 8.875 2.935 -5.752 1.00 0.00 C ATOM 1095 CG PHE A 69 7.923 2.637 -4.627 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.386 2.120 -3.426 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.566 2.854 -4.777 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.516 1.826 -2.393 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.691 2.565 -3.752 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.165 2.052 -2.565 1.00 0.00 C ATOM 0 H PHE A 69 7.341 4.863 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 69 9.909 4.598 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.383 2.708 -6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.734 2.269 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.444 1.944 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.188 3.254 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.889 1.424 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.633 2.741 -3.880 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.476 1.825 -1.765 1.00 0.00 H new ATOM 1110 N GLY A 70 9.812 4.292 -8.171 1.00 0.00 N ATOM 1111 CA GLY A 70 10.616 4.421 -9.373 1.00 0.00 C ATOM 1112 C GLY A 70 10.091 3.566 -10.510 1.00 0.00 C ATOM 1113 O GLY A 70 8.881 3.488 -10.726 1.00 0.00 O ATOM 0 H GLY A 70 8.851 3.989 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.634 5.465 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.645 4.136 -9.152 1.00 0.00 H new ATOM 1117 N SER A 71 10.998 2.922 -11.236 1.00 0.00 N ATOM 1118 CA SER A 71 10.613 2.067 -12.353 1.00 0.00 C ATOM 1119 C SER A 71 10.008 0.760 -11.850 1.00 0.00 C ATOM 1120 O SER A 71 9.069 0.229 -12.444 1.00 0.00 O ATOM 1121 CB SER A 71 11.823 1.774 -13.242 1.00 0.00 C ATOM 1122 OG SER A 71 12.406 2.972 -13.723 1.00 0.00 O ATOM 0 H SER A 71 12.003 2.975 -11.072 1.00 0.00 H new ATOM 0 HA SER A 71 9.861 2.594 -12.940 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.563 1.207 -12.678 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.518 1.152 -14.083 1.00 0.00 H new ATOM 0 HG SER A 71 13.178 2.757 -14.287 1.00 0.00 H new ATOM 1128 N GLN A 72 10.551 0.249 -10.750 1.00 0.00 N ATOM 1129 CA GLN A 72 10.066 -0.995 -10.162 1.00 0.00 C ATOM 1130 C GLN A 72 8.876 -0.731 -9.244 1.00 0.00 C ATOM 1131 O GLN A 72 9.040 -0.512 -8.045 1.00 0.00 O ATOM 1132 CB GLN A 72 11.188 -1.682 -9.382 1.00 0.00 C ATOM 1133 CG GLN A 72 11.922 -2.746 -10.184 1.00 0.00 C ATOM 1134 CD GLN A 72 13.408 -2.465 -10.307 1.00 0.00 C ATOM 1135 OE1 GLN A 72 14.238 -3.347 -10.087 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.749 -1.231 -10.661 1.00 0.00 N ATOM 0 H GLN A 72 11.328 0.678 -10.247 1.00 0.00 H new ATOM 0 HA GLN A 72 9.740 -1.651 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.904 -0.929 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.769 -2.139 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.778 -3.717 -9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.485 -2.810 -11.180 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.027 -0.532 -10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.733 -0.983 -10.760 1.00 0.00 H new ATOM 1145 N ARG A 73 7.677 -0.750 -9.818 1.00 0.00 N ATOM 1146 CA ARG A 73 6.458 -0.507 -9.054 1.00 0.00 C ATOM 1147 C ARG A 73 6.005 -1.768 -8.321 1.00 0.00 C ATOM 1148 O ARG A 73 5.360 -1.687 -7.275 1.00 0.00 O ATOM 1149 CB ARG A 73 5.344 -0.013 -9.979 1.00 0.00 C ATOM 1150 CG ARG A 73 5.776 1.116 -10.902 1.00 0.00 C ATOM 1151 CD ARG A 73 5.046 1.056 -12.235 1.00 0.00 C ATOM 1152 NE ARG A 73 5.627 1.969 -13.217 1.00 0.00 N ATOM 1153 CZ ARG A 73 5.412 1.882 -14.528 1.00 0.00 C ATOM 1154 NH1 ARG A 73 4.631 0.927 -15.017 1.00 0.00 N ATOM 1155 NH2 ARG A 73 5.979 2.752 -15.352 1.00 0.00 N ATOM 0 H ARG A 73 7.523 -0.931 -10.810 1.00 0.00 H new ATOM 0 HA ARG A 73 6.675 0.260 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.987 -0.848 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.503 0.325 -9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.581 2.075 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.851 1.058 -11.072 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.080 0.038 -12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.995 1.305 -12.085 1.00 0.00 H new ATOM 0 HE ARG A 73 6.233 2.717 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.192 0.255 -14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.470 0.865 -16.022 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.580 3.488 -14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.814 2.685 -16.356 1.00 0.00 H new ATOM 1169 N ASN A 74 6.346 -2.929 -8.871 1.00 0.00 N ATOM 1170 CA ASN A 74 5.969 -4.202 -8.263 1.00 0.00 C ATOM 1171 C ASN A 74 7.115 -4.766 -7.429 1.00 0.00 C ATOM 1172 O ASN A 74 7.344 -5.976 -7.406 1.00 0.00 O ATOM 1173 CB ASN A 74 5.561 -5.206 -9.342 1.00 0.00 C ATOM 1174 CG ASN A 74 4.078 -5.151 -9.649 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.341 -4.350 -9.073 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.631 -6.006 -10.563 1.00 0.00 N ATOM 0 H ASN A 74 6.882 -3.016 -9.735 1.00 0.00 H new ATOM 0 HA ASN A 74 5.119 -4.025 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.126 -5.006 -10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.825 -6.212 -9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.642 -6.016 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.277 -6.653 -11.016 1.00 0.00 H new ATOM 1183 N GLU A 75 7.834 -3.882 -6.747 1.00 0.00 N ATOM 1184 CA GLU A 75 8.959 -4.284 -5.910 1.00 0.00 C ATOM 1185 C GLU A 75 8.828 -3.731 -4.492 1.00 0.00 C ATOM 1186 O GLU A 75 9.701 -3.954 -3.653 1.00 0.00 O ATOM 1187 CB GLU A 75 10.271 -3.780 -6.515 1.00 0.00 C ATOM 1188 CG GLU A 75 11.483 -4.600 -6.110 1.00 0.00 C ATOM 1189 CD GLU A 75 11.772 -5.731 -7.079 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.674 -5.502 -8.303 1.00 0.00 O ATOM 1191 OE2 GLU A 75 12.095 -6.843 -6.614 1.00 0.00 O ATOM 0 H GLU A 75 7.657 -2.878 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 75 8.959 -5.373 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.186 -3.786 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.426 -2.744 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.354 -3.948 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.322 -5.012 -5.114 1.00 0.00 H new ATOM 1198 N VAL A 76 7.750 -2.995 -4.237 1.00 0.00 N ATOM 1199 CA VAL A 76 7.523 -2.384 -2.928 1.00 0.00 C ATOM 1200 C VAL A 76 6.667 -3.261 -2.025 1.00 0.00 C ATOM 1201 O VAL A 76 6.034 -4.218 -2.471 1.00 0.00 O ATOM 1202 CB VAL A 76 6.874 -0.980 -3.061 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.592 -0.640 -4.518 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.603 -0.843 -2.215 1.00 0.00 C ATOM 0 H VAL A 76 7.017 -2.806 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 76 8.505 -2.277 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 76 7.597 -0.262 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.138 0.349 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.526 -0.646 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.910 -1.379 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.187 0.156 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.871 -1.584 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.846 -1.004 -1.165 1.00 0.00 H new ATOM 1214 N ARG A 77 6.639 -2.892 -0.753 1.00 0.00 N ATOM 1215 CA ARG A 77 5.852 -3.588 0.246 1.00 0.00 C ATOM 1216 C ARG A 77 4.954 -2.592 0.962 1.00 0.00 C ATOM 1217 O ARG A 77 5.398 -1.505 1.331 1.00 0.00 O ATOM 1218 CB ARG A 77 6.767 -4.294 1.250 1.00 0.00 C ATOM 1219 CG ARG A 77 7.475 -5.510 0.677 1.00 0.00 C ATOM 1220 CD ARG A 77 8.029 -6.405 1.775 1.00 0.00 C ATOM 1221 NE ARG A 77 9.477 -6.564 1.675 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.172 -7.475 2.354 1.00 0.00 C ATOM 1223 NH1 ARG A 77 9.554 -8.309 3.181 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.488 -7.551 2.206 1.00 0.00 N ATOM 0 H ARG A 77 7.164 -2.098 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 77 5.237 -4.343 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.513 -3.585 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.177 -4.601 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.780 -6.079 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.287 -5.186 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.777 -5.983 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.552 -7.384 1.719 1.00 0.00 H new ATOM 0 HE ARG A 77 9.986 -5.941 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.542 -8.254 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.091 -9.005 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.968 -6.912 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.020 -8.249 2.726 1.00 0.00 H new ATOM 1238 N PHE A 78 3.695 -2.961 1.153 1.00 0.00 N ATOM 1239 CA PHE A 78 2.745 -2.099 1.839 1.00 0.00 C ATOM 1240 C PHE A 78 2.529 -2.635 3.245 1.00 0.00 C ATOM 1241 O PHE A 78 2.444 -3.842 3.440 1.00 0.00 O ATOM 1242 CB PHE A 78 1.423 -2.030 1.069 1.00 0.00 C ATOM 1243 CG PHE A 78 1.472 -1.130 -0.132 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.550 -0.107 -0.283 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.439 -1.304 -1.108 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.590 0.724 -1.386 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.485 -0.477 -2.214 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.559 0.539 -2.353 1.00 0.00 C ATOM 0 H PHE A 78 3.308 -3.852 0.842 1.00 0.00 H new ATOM 0 HA PHE A 78 3.142 -1.085 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.146 -3.034 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.639 -1.682 1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.209 0.043 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.166 -2.096 -1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.135 1.517 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.243 -0.625 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.593 1.187 -3.216 1.00 0.00 H new ATOM 1258 N PHE A 79 2.492 -1.746 4.226 1.00 0.00 N ATOM 1259 CA PHE A 79 2.330 -2.162 5.618 1.00 0.00 C ATOM 1260 C PHE A 79 1.441 -1.185 6.381 1.00 0.00 C ATOM 1261 O PHE A 79 1.479 0.020 6.137 1.00 0.00 O ATOM 1262 CB PHE A 79 3.707 -2.281 6.286 1.00 0.00 C ATOM 1263 CG PHE A 79 4.838 -2.203 5.297 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.081 -1.024 4.620 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.628 -3.308 5.018 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.093 -0.932 3.688 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.645 -3.228 4.090 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.880 -2.042 3.425 1.00 0.00 C ATOM 0 H PHE A 79 2.571 -0.738 4.090 1.00 0.00 H new ATOM 0 HA PHE A 79 1.841 -3.136 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.819 -1.486 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.765 -3.227 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.468 -0.159 4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.445 -4.240 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.271 -0.003 3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.257 -4.093 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.677 -1.979 2.699 1.00 0.00 H new ATOM 1278 N LEU A 80 0.631 -1.708 7.297 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.273 -0.864 8.073 1.00 0.00 C ATOM 1280 C LEU A 80 0.369 -0.425 9.386 1.00 0.00 C ATOM 1281 O LEU A 80 0.777 -1.254 10.198 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.576 -1.613 8.356 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.851 -0.798 8.142 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.928 0.347 9.138 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.917 -0.277 6.712 1.00 0.00 C ATOM 0 H LEU A 80 0.581 -2.702 7.519 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.488 0.028 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.616 -2.496 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.558 -1.966 9.387 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.709 -1.450 8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.843 0.915 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.931 -0.053 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.066 1.001 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.831 0.301 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.054 0.359 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.914 -1.118 6.018 1.00 0.00 H new ATOM 1297 N ARG A 81 0.454 0.890 9.585 1.00 0.00 N ATOM 1298 CA ARG A 81 1.045 1.442 10.799 1.00 0.00 C ATOM 1299 C ARG A 81 0.028 2.281 11.565 1.00 0.00 C ATOM 1300 O ARG A 81 -0.536 3.235 11.029 1.00 0.00 O ATOM 1301 CB ARG A 81 2.270 2.289 10.452 1.00 0.00 C ATOM 1302 CG ARG A 81 3.323 1.534 9.662 1.00 0.00 C ATOM 1303 CD ARG A 81 4.278 0.787 10.579 1.00 0.00 C ATOM 1304 NE ARG A 81 5.133 -0.140 9.843 1.00 0.00 N ATOM 1305 CZ ARG A 81 4.720 -1.314 9.369 1.00 0.00 C ATOM 1306 NH1 ARG A 81 3.464 -1.705 9.547 1.00 0.00 N ATOM 1307 NH2 ARG A 81 5.564 -2.098 8.714 1.00 0.00 N ATOM 0 H ARG A 81 0.121 1.590 8.922 1.00 0.00 H new ATOM 0 HA ARG A 81 1.355 0.613 11.435 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.950 3.158 9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.717 2.662 11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.837 0.828 8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.884 2.233 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.899 1.504 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.706 0.237 11.327 1.00 0.00 H new ATOM 0 HE ARG A 81 6.104 0.127 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.809 -1.105 10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.153 -2.605 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.530 -1.802 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.248 -2.997 8.351 1.00 0.00 H new