USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 39:sc= 0.207 USER MOD Single : A 18 GLN : amide:sc= -7.53! K(o=-7.5!,f=-3.8) USER MOD Single : A 20 SER OG : rot -36:sc= 1.13 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 93:sc= 0.473 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -55:sc= -0.692! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0.00234 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.786 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.636 19.119 3.795 1.00 0.00 N ATOM 148 CA THR A 13 10.686 18.467 5.098 1.00 0.00 C ATOM 149 C THR A 13 10.271 17.003 4.995 1.00 0.00 C ATOM 150 O THR A 13 9.154 16.677 4.592 1.00 0.00 O ATOM 151 CB THR A 13 9.776 19.176 6.118 1.00 0.00 C ATOM 152 OG1 THR A 13 10.010 20.588 6.083 1.00 0.00 O ATOM 153 CG2 THR A 13 10.024 18.650 7.523 1.00 0.00 C ATOM 0 HA THR A 13 11.719 18.527 5.442 1.00 0.00 H new ATOM 0 HB THR A 13 8.739 18.973 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.145 20.874 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.370 19.166 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.817 17.580 7.553 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.064 18.826 7.799 1.00 0.00 H new ATOM 161 N PRO A 14 11.189 16.100 5.369 1.00 0.00 N ATOM 162 CA PRO A 14 10.940 14.655 5.329 1.00 0.00 C ATOM 163 C PRO A 14 9.931 14.212 6.383 1.00 0.00 C ATOM 164 O PRO A 14 9.670 14.931 7.348 1.00 0.00 O ATOM 165 CB PRO A 14 12.316 14.051 5.617 1.00 0.00 C ATOM 166 CG PRO A 14 13.038 15.101 6.388 1.00 0.00 C ATOM 167 CD PRO A 14 12.540 16.418 5.860 1.00 0.00 C ATOM 0 HA PRO A 14 10.512 14.340 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.231 13.128 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.842 13.806 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.839 15.008 7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.116 15.010 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.515 17.180 6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.178 16.798 5.062 1.00 0.00 H new ATOM 175 N VAL A 15 9.368 13.022 6.193 1.00 0.00 N ATOM 176 CA VAL A 15 8.389 12.483 7.129 1.00 0.00 C ATOM 177 C VAL A 15 8.492 10.964 7.217 1.00 0.00 C ATOM 178 O VAL A 15 9.006 10.313 6.307 1.00 0.00 O ATOM 179 CB VAL A 15 6.954 12.866 6.722 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.073 13.020 7.953 1.00 0.00 C ATOM 181 CG2 VAL A 15 6.957 14.143 5.896 1.00 0.00 C ATOM 0 H VAL A 15 9.573 12.414 5.400 1.00 0.00 H new ATOM 0 HA VAL A 15 8.610 12.917 8.104 1.00 0.00 H new ATOM 0 HB VAL A 15 6.543 12.065 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.063 13.291 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.046 12.078 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.479 13.802 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.935 14.398 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.387 14.955 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.552 13.992 4.995 1.00 0.00 H new ATOM 191 N PHE A 16 8.001 10.406 8.318 1.00 0.00 N ATOM 192 CA PHE A 16 8.038 8.963 8.526 1.00 0.00 C ATOM 193 C PHE A 16 6.695 8.453 9.040 1.00 0.00 C ATOM 194 O PHE A 16 6.194 8.916 10.064 1.00 0.00 O ATOM 195 CB PHE A 16 9.147 8.597 9.514 1.00 0.00 C ATOM 196 CG PHE A 16 9.793 7.272 9.227 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.896 7.190 8.392 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.298 6.108 9.793 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.491 5.972 8.125 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.891 4.887 9.531 1.00 0.00 C ATOM 201 CZ PHE A 16 10.988 4.819 8.696 1.00 0.00 C ATOM 0 H PHE A 16 7.573 10.931 9.080 1.00 0.00 H new ATOM 0 HA PHE A 16 8.244 8.488 7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.910 9.375 9.496 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.733 8.579 10.522 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.295 8.088 7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.439 6.155 10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.349 5.921 7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.496 3.987 9.979 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.452 3.866 8.489 1.00 0.00 H new ATOM 211 N GLU A 17 6.117 7.496 8.319 1.00 0.00 N ATOM 212 CA GLU A 17 4.831 6.924 8.702 1.00 0.00 C ATOM 213 C GLU A 17 4.802 5.423 8.430 1.00 0.00 C ATOM 214 O GLU A 17 5.441 4.939 7.496 1.00 0.00 O ATOM 215 CB GLU A 17 3.696 7.613 7.942 1.00 0.00 C ATOM 216 CG GLU A 17 2.460 7.861 8.791 1.00 0.00 C ATOM 217 CD GLU A 17 2.378 9.286 9.302 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.833 10.201 8.584 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.857 9.486 10.419 1.00 0.00 O ATOM 0 H GLU A 17 6.518 7.101 7.468 1.00 0.00 H new ATOM 0 HA GLU A 17 4.693 7.085 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.056 8.565 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.420 7.001 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.570 7.638 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.462 7.175 9.638 1.00 0.00 H new ATOM 226 N GLN A 18 4.056 4.693 9.253 1.00 0.00 N ATOM 227 CA GLN A 18 3.944 3.247 9.102 1.00 0.00 C ATOM 228 C GLN A 18 2.484 2.823 8.989 1.00 0.00 C ATOM 229 O GLN A 18 1.622 3.329 9.708 1.00 0.00 O ATOM 230 CB GLN A 18 4.605 2.537 10.285 1.00 0.00 C ATOM 231 CG GLN A 18 6.029 2.086 10.007 1.00 0.00 C ATOM 232 CD GLN A 18 6.435 0.887 10.840 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.665 1.003 12.044 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.526 -0.274 10.202 1.00 0.00 N ATOM 0 H GLN A 18 3.521 5.079 10.031 1.00 0.00 H new ATOM 0 HA GLN A 18 4.457 2.962 8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.607 3.207 11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.005 1.669 10.558 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.128 1.839 8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.713 2.911 10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.326 -0.324 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.796 -1.116 10.711 1.00 0.00 H new ATOM 243 N LEU A 19 2.211 1.891 8.083 1.00 0.00 N ATOM 244 CA LEU A 19 0.854 1.398 7.875 1.00 0.00 C ATOM 245 C LEU A 19 0.810 -0.125 7.952 1.00 0.00 C ATOM 246 O LEU A 19 1.424 -0.815 7.139 1.00 0.00 O ATOM 247 CB LEU A 19 0.322 1.867 6.519 1.00 0.00 C ATOM 248 CG LEU A 19 -0.677 3.025 6.556 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.049 4.252 7.199 1.00 0.00 C ATOM 250 CD2 LEU A 19 -1.167 3.348 5.151 1.00 0.00 C ATOM 0 H LEU A 19 2.912 1.461 7.480 1.00 0.00 H new ATOM 0 HA LEU A 19 0.222 1.802 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.170 2.164 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.152 1.020 6.024 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.533 2.724 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.775 5.065 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.254 4.014 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.825 4.558 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.877 4.174 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.320 3.630 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.656 2.471 4.726 1.00 0.00 H new ATOM 262 N SER A 20 0.078 -0.642 8.934 1.00 0.00 N ATOM 263 CA SER A 20 -0.045 -2.082 9.118 1.00 0.00 C ATOM 264 C SER A 20 -1.035 -2.675 8.120 1.00 0.00 C ATOM 265 O SER A 20 -2.225 -2.361 8.148 1.00 0.00 O ATOM 266 CB SER A 20 -0.493 -2.398 10.547 1.00 0.00 C ATOM 267 OG SER A 20 -1.861 -2.765 10.584 1.00 0.00 O ATOM 0 H SER A 20 -0.439 -0.084 9.614 1.00 0.00 H new ATOM 0 HA SER A 20 0.933 -2.531 8.943 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.115 -3.208 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.329 -1.528 11.183 1.00 0.00 H new ATOM 0 HG SER A 20 -2.358 -2.242 9.920 1.00 0.00 H new ATOM 273 N VAL A 21 -0.534 -3.535 7.238 1.00 0.00 N ATOM 274 CA VAL A 21 -1.373 -4.174 6.231 1.00 0.00 C ATOM 275 C VAL A 21 -1.358 -5.690 6.385 1.00 0.00 C ATOM 276 O VAL A 21 -0.342 -6.293 6.733 1.00 0.00 O ATOM 277 CB VAL A 21 -0.917 -3.807 4.807 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.640 -2.315 4.702 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.312 -4.615 4.417 1.00 0.00 C ATOM 0 H VAL A 21 0.449 -3.805 7.201 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.388 -3.808 6.384 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.721 -4.052 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.319 -2.075 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.548 -1.759 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.146 -2.040 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.621 -4.343 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.123 -4.403 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.074 -5.678 4.450 1.00 0.00 H new ATOM 289 N PRO A 22 -2.510 -6.323 6.118 1.00 0.00 N ATOM 290 CA PRO A 22 -2.654 -7.779 6.218 1.00 0.00 C ATOM 291 C PRO A 22 -1.883 -8.514 5.127 1.00 0.00 C ATOM 292 O PRO A 22 -1.787 -8.039 3.996 1.00 0.00 O ATOM 293 CB PRO A 22 -4.160 -7.998 6.049 1.00 0.00 C ATOM 294 CG PRO A 22 -4.630 -6.817 5.272 1.00 0.00 C ATOM 295 CD PRO A 22 -3.759 -5.667 5.698 1.00 0.00 C ATOM 0 HA PRO A 22 -2.256 -8.165 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.368 -8.928 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.662 -8.062 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.544 -6.996 4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.680 -6.608 5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.590 -4.967 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.210 -5.102 6.514 1.00 0.00 H new ATOM 303 N GLN A 23 -1.338 -9.675 5.474 1.00 0.00 N ATOM 304 CA GLN A 23 -0.576 -10.476 4.523 1.00 0.00 C ATOM 305 C GLN A 23 -1.465 -10.957 3.381 1.00 0.00 C ATOM 306 O GLN A 23 -0.974 -11.350 2.322 1.00 0.00 O ATOM 307 CB GLN A 23 0.063 -11.673 5.229 1.00 0.00 C ATOM 308 CG GLN A 23 -0.917 -12.796 5.527 1.00 0.00 C ATOM 309 CD GLN A 23 -0.456 -14.134 4.984 1.00 0.00 C ATOM 310 OE1 GLN A 23 -0.657 -14.443 3.809 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.167 -14.937 5.837 1.00 0.00 N ATOM 0 H GLN A 23 -1.410 -10.082 6.406 1.00 0.00 H new ATOM 0 HA GLN A 23 0.211 -9.848 4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.871 -12.062 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.512 -11.336 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.056 -12.875 6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.888 -12.549 5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.313 -14.641 6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.500 -15.850 5.527 1.00 0.00 H new ATOM 320 N ARG A 24 -2.775 -10.924 3.603 1.00 0.00 N ATOM 321 CA ARG A 24 -3.732 -11.359 2.594 1.00 0.00 C ATOM 322 C ARG A 24 -3.826 -10.341 1.461 1.00 0.00 C ATOM 323 O ARG A 24 -4.191 -10.682 0.336 1.00 0.00 O ATOM 324 CB ARG A 24 -5.111 -11.567 3.224 1.00 0.00 C ATOM 325 CG ARG A 24 -5.682 -10.314 3.866 1.00 0.00 C ATOM 326 CD ARG A 24 -7.067 -9.993 3.327 1.00 0.00 C ATOM 327 NE ARG A 24 -7.800 -9.087 4.207 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.312 -9.453 5.377 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.170 -10.700 5.805 1.00 0.00 N ATOM 330 NH2 ARG A 24 -8.967 -8.571 6.121 1.00 0.00 N ATOM 0 H ARG A 24 -3.197 -10.600 4.473 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.383 -12.306 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.802 -11.920 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.042 -12.352 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.733 -10.449 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.014 -9.473 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.976 -9.543 2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.632 -10.917 3.206 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.926 -8.120 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.667 -11.380 5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.564 -10.979 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.078 -7.611 5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.360 -8.853 7.019 1.00 0.00 H new ATOM 344 N SER A 25 -3.497 -9.091 1.767 1.00 0.00 N ATOM 345 CA SER A 25 -3.550 -8.022 0.775 1.00 0.00 C ATOM 346 C SER A 25 -2.145 -7.533 0.430 1.00 0.00 C ATOM 347 O SER A 25 -1.950 -6.811 -0.548 1.00 0.00 O ATOM 348 CB SER A 25 -4.394 -6.857 1.295 1.00 0.00 C ATOM 349 OG SER A 25 -5.752 -7.236 1.437 1.00 0.00 O ATOM 0 H SER A 25 -3.191 -8.793 2.693 1.00 0.00 H new ATOM 0 HA SER A 25 -4.011 -8.420 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.004 -6.522 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.318 -6.014 0.609 1.00 0.00 H new ATOM 0 HG SER A 25 -6.239 -6.535 1.918 1.00 0.00 H new ATOM 355 N VAL A 26 -1.170 -7.932 1.240 1.00 0.00 N ATOM 356 CA VAL A 26 0.216 -7.537 1.021 1.00 0.00 C ATOM 357 C VAL A 26 0.739 -8.081 -0.304 1.00 0.00 C ATOM 358 O VAL A 26 1.681 -7.539 -0.881 1.00 0.00 O ATOM 359 CB VAL A 26 1.127 -8.028 2.161 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.546 -9.471 1.926 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.344 -7.126 2.297 1.00 0.00 C ATOM 0 H VAL A 26 -1.315 -8.529 2.054 1.00 0.00 H new ATOM 0 HA VAL A 26 0.235 -6.447 0.996 1.00 0.00 H new ATOM 0 HB VAL A 26 0.566 -7.985 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.189 -9.801 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.660 -10.105 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.089 -9.543 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.977 -7.488 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.909 -7.134 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.020 -6.109 2.516 1.00 0.00 H new ATOM 371 N GLY A 27 0.121 -9.156 -0.782 1.00 0.00 N ATOM 372 CA GLY A 27 0.538 -9.756 -2.035 1.00 0.00 C ATOM 373 C GLY A 27 0.153 -8.917 -3.236 1.00 0.00 C ATOM 374 O GLY A 27 0.739 -9.051 -4.311 1.00 0.00 O ATOM 0 H GLY A 27 -0.662 -9.622 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.619 -9.896 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.089 -10.745 -2.128 1.00 0.00 H new ATOM 378 N ARG A 28 -0.836 -8.047 -3.056 1.00 0.00 N ATOM 379 CA ARG A 28 -1.301 -7.184 -4.134 1.00 0.00 C ATOM 380 C ARG A 28 -0.676 -5.796 -4.029 1.00 0.00 C ATOM 381 O ARG A 28 -0.615 -5.055 -5.010 1.00 0.00 O ATOM 382 CB ARG A 28 -2.826 -7.072 -4.105 1.00 0.00 C ATOM 383 CG ARG A 28 -3.422 -6.526 -5.393 1.00 0.00 C ATOM 384 CD ARG A 28 -3.827 -7.646 -6.338 1.00 0.00 C ATOM 385 NE ARG A 28 -2.713 -8.084 -7.176 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.754 -9.166 -7.945 1.00 0.00 C ATOM 387 NH1 ARG A 28 -3.847 -9.917 -7.982 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.700 -9.500 -8.680 1.00 0.00 N ATOM 0 H ARG A 28 -1.331 -7.922 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.994 -7.630 -5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.250 -8.056 -3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.119 -6.426 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.292 -5.912 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.697 -5.878 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.200 -8.491 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.646 -7.307 -6.972 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.857 -7.529 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.659 -9.664 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.875 -10.747 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.858 -8.925 -8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.733 -10.331 -9.270 1.00 0.00 H new ATOM 402 N ILE A 29 -0.215 -5.451 -2.831 1.00 0.00 N ATOM 403 CA ILE A 29 0.405 -4.153 -2.597 1.00 0.00 C ATOM 404 C ILE A 29 1.885 -4.175 -2.969 1.00 0.00 C ATOM 405 O ILE A 29 2.369 -3.294 -3.680 1.00 0.00 O ATOM 406 CB ILE A 29 0.264 -3.718 -1.127 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.202 -3.781 -0.692 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.819 -2.315 -0.933 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.383 -4.007 0.792 1.00 0.00 C ATOM 0 H ILE A 29 -0.259 -6.052 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.116 -3.436 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 29 0.839 -4.404 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.696 -2.851 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.700 -4.583 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.712 -2.022 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.874 -2.300 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.270 -1.616 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.447 -4.041 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.918 -4.951 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.914 -3.192 1.344 1.00 0.00 H new ATOM 421 N ILE A 30 2.596 -5.187 -2.483 1.00 0.00 N ATOM 422 CA ILE A 30 4.018 -5.326 -2.767 1.00 0.00 C ATOM 423 C ILE A 30 4.250 -5.806 -4.195 1.00 0.00 C ATOM 424 O ILE A 30 5.214 -5.407 -4.848 1.00 0.00 O ATOM 425 CB ILE A 30 4.694 -6.306 -1.790 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.846 -5.664 -0.410 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.049 -6.741 -2.330 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.049 -4.756 -0.295 1.00 0.00 C ATOM 0 H ILE A 30 2.210 -5.922 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 30 4.462 -4.338 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 30 4.063 -7.189 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.946 -5.092 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.921 -6.450 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.515 -7.433 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.916 -7.234 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.688 -5.867 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.093 -4.336 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.956 -5.328 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.966 -3.948 -1.022 1.00 0.00 H new ATOM 440 N GLY A 31 3.358 -6.666 -4.676 1.00 0.00 N ATOM 441 CA GLY A 31 3.482 -7.186 -6.026 1.00 0.00 C ATOM 442 C GLY A 31 4.460 -8.341 -6.115 1.00 0.00 C ATOM 443 O GLY A 31 5.061 -8.733 -5.113 1.00 0.00 O ATOM 0 H GLY A 31 2.552 -7.012 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.504 -7.515 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.807 -6.386 -6.692 1.00 0.00 H new ATOM 447 N ARG A 32 4.621 -8.887 -7.315 1.00 0.00 N ATOM 448 CA ARG A 32 5.531 -10.007 -7.529 1.00 0.00 C ATOM 449 C ARG A 32 6.961 -9.623 -7.160 1.00 0.00 C ATOM 450 O ARG A 32 7.612 -8.858 -7.870 1.00 0.00 O ATOM 451 CB ARG A 32 5.475 -10.464 -8.988 1.00 0.00 C ATOM 452 CG ARG A 32 5.157 -11.942 -9.151 1.00 0.00 C ATOM 453 CD ARG A 32 5.908 -12.546 -10.327 1.00 0.00 C ATOM 454 NE ARG A 32 6.139 -13.978 -10.152 1.00 0.00 N ATOM 455 CZ ARG A 32 6.343 -14.818 -11.160 1.00 0.00 C ATOM 456 NH1 ARG A 32 6.347 -14.372 -12.409 1.00 0.00 N ATOM 457 NH2 ARG A 32 6.546 -16.107 -10.920 1.00 0.00 N ATOM 0 H ARG A 32 4.134 -8.573 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 32 5.216 -10.828 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.721 -9.879 -9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.433 -10.252 -9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.420 -12.475 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.085 -12.071 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.341 -12.380 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.864 -12.037 -10.447 1.00 0.00 H new ATOM 0 HE ARG A 32 6.144 -14.353 -9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.193 -13.381 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.504 -15.020 -13.181 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.545 -16.453 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.703 -16.752 -11.695 1.00 0.00 H new ATOM 471 N GLY A 33 7.443 -10.159 -6.043 1.00 0.00 N ATOM 472 CA GLY A 33 8.791 -9.861 -5.598 1.00 0.00 C ATOM 473 C GLY A 33 9.018 -8.376 -5.391 1.00 0.00 C ATOM 474 O GLY A 33 10.151 -7.936 -5.195 1.00 0.00 O ATOM 0 H GLY A 33 6.923 -10.795 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.987 -10.389 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.504 -10.236 -6.332 1.00 0.00 H new ATOM 478 N GLY A 34 7.939 -7.601 -5.438 1.00 0.00 N ATOM 479 CA GLY A 34 8.047 -6.166 -5.254 1.00 0.00 C ATOM 480 C GLY A 34 7.732 -5.394 -6.519 1.00 0.00 C ATOM 481 O GLY A 34 7.707 -4.164 -6.514 1.00 0.00 O ATOM 0 H GLY A 34 6.991 -7.942 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.367 -5.852 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.056 -5.920 -4.924 1.00 0.00 H new ATOM 485 N GLU A 35 7.492 -6.119 -7.608 1.00 0.00 N ATOM 486 CA GLU A 35 7.180 -5.493 -8.887 1.00 0.00 C ATOM 487 C GLU A 35 6.183 -4.351 -8.706 1.00 0.00 C ATOM 488 O GLU A 35 6.172 -3.392 -9.479 1.00 0.00 O ATOM 489 CB GLU A 35 6.614 -6.528 -9.863 1.00 0.00 C ATOM 490 CG GLU A 35 5.115 -6.737 -9.726 1.00 0.00 C ATOM 491 CD GLU A 35 4.320 -5.946 -10.745 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.520 -4.716 -10.830 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.497 -6.557 -11.459 1.00 0.00 O ATOM 0 H GLU A 35 7.508 -7.139 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 35 8.104 -5.085 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.837 -6.214 -10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.121 -7.480 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.888 -7.797 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.802 -6.448 -8.723 1.00 0.00 H new ATOM 500 N THR A 36 5.346 -4.462 -7.679 1.00 0.00 N ATOM 501 CA THR A 36 4.344 -3.441 -7.395 1.00 0.00 C ATOM 502 C THR A 36 4.853 -2.445 -6.361 1.00 0.00 C ATOM 503 O THR A 36 4.510 -1.263 -6.403 1.00 0.00 O ATOM 504 CB THR A 36 3.033 -4.068 -6.887 1.00 0.00 C ATOM 505 OG1 THR A 36 2.511 -4.975 -7.866 1.00 0.00 O ATOM 506 CG2 THR A 36 2.001 -2.992 -6.585 1.00 0.00 C ATOM 0 H THR A 36 5.342 -5.249 -7.030 1.00 0.00 H new ATOM 0 HA THR A 36 4.149 -2.919 -8.332 1.00 0.00 H new ATOM 0 HB THR A 36 3.249 -4.612 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.678 -5.371 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.083 -3.458 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.389 -2.321 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.791 -2.425 -7.492 1.00 0.00 H new ATOM 514 N ILE A 37 5.672 -2.929 -5.433 1.00 0.00 N ATOM 515 CA ILE A 37 6.229 -2.078 -4.388 1.00 0.00 C ATOM 516 C ILE A 37 7.266 -1.116 -4.957 1.00 0.00 C ATOM 517 O ILE A 37 7.575 -0.090 -4.350 1.00 0.00 O ATOM 518 CB ILE A 37 6.878 -2.913 -3.269 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.849 -2.146 -1.946 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.308 -3.280 -3.644 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.451 -1.822 -1.467 1.00 0.00 C ATOM 0 H ILE A 37 5.964 -3.905 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 37 5.400 -1.508 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 37 6.307 -3.833 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.359 -2.734 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.409 -1.218 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.754 -3.870 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.304 -3.862 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.890 -2.370 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.506 -1.278 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.945 -1.207 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.893 -2.747 -1.320 1.00 0.00 H new ATOM 533 N ARG A 38 7.800 -1.453 -6.126 1.00 0.00 N ATOM 534 CA ARG A 38 8.802 -0.619 -6.778 1.00 0.00 C ATOM 535 C ARG A 38 8.142 0.430 -7.668 1.00 0.00 C ATOM 536 O ARG A 38 8.647 1.543 -7.813 1.00 0.00 O ATOM 537 CB ARG A 38 9.754 -1.483 -7.608 1.00 0.00 C ATOM 538 CG ARG A 38 10.415 -2.597 -6.814 1.00 0.00 C ATOM 539 CD ARG A 38 11.750 -2.999 -7.422 1.00 0.00 C ATOM 540 NE ARG A 38 12.817 -3.033 -6.426 1.00 0.00 N ATOM 541 CZ ARG A 38 14.101 -3.178 -6.730 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.477 -3.301 -7.996 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.015 -3.200 -5.768 1.00 0.00 N ATOM 0 H ARG A 38 7.555 -2.298 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 38 9.371 -0.106 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.202 -1.920 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.527 -0.846 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.566 -2.271 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.754 -3.463 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.656 -3.981 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.014 -2.297 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 38 12.562 -2.940 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.779 -3.284 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.464 -3.412 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.731 -3.105 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.001 -3.312 -6.004 1.00 0.00 H new ATOM 557 N SER A 39 7.010 0.066 -8.262 1.00 0.00 N ATOM 558 CA SER A 39 6.283 0.972 -9.143 1.00 0.00 C ATOM 559 C SER A 39 5.653 2.112 -8.348 1.00 0.00 C ATOM 560 O SER A 39 5.602 3.252 -8.812 1.00 0.00 O ATOM 561 CB SER A 39 5.200 0.212 -9.911 1.00 0.00 C ATOM 562 OG SER A 39 5.625 -0.090 -11.228 1.00 0.00 O ATOM 0 H SER A 39 6.576 -0.850 -8.149 1.00 0.00 H new ATOM 0 HA SER A 39 6.993 1.395 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.956 -0.710 -9.384 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.289 0.809 -9.948 1.00 0.00 H new ATOM 0 HG SER A 39 4.916 -0.577 -11.697 1.00 0.00 H new ATOM 568 N ILE A 40 5.178 1.797 -7.148 1.00 0.00 N ATOM 569 CA ILE A 40 4.553 2.793 -6.288 1.00 0.00 C ATOM 570 C ILE A 40 5.570 3.827 -5.815 1.00 0.00 C ATOM 571 O ILE A 40 5.348 5.032 -5.931 1.00 0.00 O ATOM 572 CB ILE A 40 3.890 2.142 -5.059 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.875 1.086 -5.501 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.220 3.200 -4.196 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.563 0.063 -4.431 1.00 0.00 C ATOM 0 H ILE A 40 5.214 0.859 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 40 3.786 3.287 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 40 4.661 1.652 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.951 1.583 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.258 0.572 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.756 2.724 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.966 3.919 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.457 3.716 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.837 -0.654 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.477 -0.461 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.150 0.566 -3.556 1.00 0.00 H new ATOM 587 N CYS A 41 6.688 3.346 -5.281 1.00 0.00 N ATOM 588 CA CYS A 41 7.742 4.227 -4.791 1.00 0.00 C ATOM 589 C CYS A 41 8.102 5.278 -5.837 1.00 0.00 C ATOM 590 O CYS A 41 8.373 6.432 -5.505 1.00 0.00 O ATOM 591 CB CYS A 41 8.982 3.415 -4.418 1.00 0.00 C ATOM 592 SG CYS A 41 8.705 2.206 -3.102 1.00 0.00 S ATOM 0 H CYS A 41 6.887 2.351 -5.177 1.00 0.00 H new ATOM 0 HA CYS A 41 7.371 4.737 -3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.342 2.894 -5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.771 4.099 -4.108 1.00 0.00 H new ATOM 0 HG CYS A 41 8.407 1.054 -3.626 1.00 0.00 H new ATOM 598 N LYS A 42 8.106 4.870 -7.101 1.00 0.00 N ATOM 599 CA LYS A 42 8.434 5.774 -8.196 1.00 0.00 C ATOM 600 C LYS A 42 7.211 6.582 -8.619 1.00 0.00 C ATOM 601 O LYS A 42 7.338 7.667 -9.187 1.00 0.00 O ATOM 602 CB LYS A 42 8.975 4.986 -9.392 1.00 0.00 C ATOM 603 CG LYS A 42 7.897 4.270 -10.186 1.00 0.00 C ATOM 604 CD LYS A 42 8.376 3.922 -11.587 1.00 0.00 C ATOM 605 CE LYS A 42 8.442 2.417 -11.795 1.00 0.00 C ATOM 606 NZ LYS A 42 9.463 2.042 -12.812 1.00 0.00 N ATOM 0 H LYS A 42 7.885 3.918 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 42 9.202 6.464 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.510 5.668 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.699 4.253 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.603 3.359 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.011 4.901 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.703 4.363 -12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.361 4.357 -11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.676 1.929 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.465 2.051 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.477 1.008 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.226 2.486 -13.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.400 2.369 -12.500 1.00 0.00 H new ATOM 620 N ALA A 43 6.028 6.047 -8.337 1.00 0.00 N ATOM 621 CA ALA A 43 4.782 6.720 -8.685 1.00 0.00 C ATOM 622 C ALA A 43 4.454 7.821 -7.682 1.00 0.00 C ATOM 623 O ALA A 43 3.739 8.771 -8.000 1.00 0.00 O ATOM 624 CB ALA A 43 3.643 5.716 -8.761 1.00 0.00 C ATOM 0 H ALA A 43 5.906 5.149 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 43 4.909 7.183 -9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.719 6.233 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.867 4.968 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.524 5.226 -7.794 1.00 0.00 H new ATOM 630 N SER A 44 4.982 7.686 -6.469 1.00 0.00 N ATOM 631 CA SER A 44 4.741 8.667 -5.418 1.00 0.00 C ATOM 632 C SER A 44 6.031 9.392 -5.045 1.00 0.00 C ATOM 633 O SER A 44 6.023 10.586 -4.748 1.00 0.00 O ATOM 634 CB SER A 44 4.151 7.987 -4.182 1.00 0.00 C ATOM 635 OG SER A 44 4.827 6.775 -3.893 1.00 0.00 O ATOM 0 H SER A 44 5.579 6.907 -6.191 1.00 0.00 H new ATOM 0 HA SER A 44 4.028 9.400 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.220 8.658 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.092 7.786 -4.345 1.00 0.00 H new ATOM 0 HG SER A 44 4.813 6.196 -4.684 1.00 0.00 H new ATOM 641 N GLY A 45 7.141 8.659 -5.065 1.00 0.00 N ATOM 642 CA GLY A 45 8.424 9.248 -4.728 1.00 0.00 C ATOM 643 C GLY A 45 8.833 8.967 -3.295 1.00 0.00 C ATOM 644 O GLY A 45 9.960 9.253 -2.896 1.00 0.00 O ATOM 0 H GLY A 45 7.174 7.669 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.187 8.860 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.378 10.326 -4.885 1.00 0.00 H new ATOM 648 N ALA A 46 7.911 8.405 -2.518 1.00 0.00 N ATOM 649 CA ALA A 46 8.181 8.086 -1.122 1.00 0.00 C ATOM 650 C ALA A 46 8.761 6.683 -0.982 1.00 0.00 C ATOM 651 O ALA A 46 8.461 5.794 -1.779 1.00 0.00 O ATOM 652 CB ALA A 46 6.910 8.219 -0.295 1.00 0.00 C ATOM 0 H ALA A 46 6.972 8.162 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 46 8.920 8.795 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.126 7.978 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.538 9.242 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.154 7.533 -0.677 1.00 0.00 H new ATOM 658 N LYS A 47 9.595 6.491 0.035 1.00 0.00 N ATOM 659 CA LYS A 47 10.218 5.196 0.280 1.00 0.00 C ATOM 660 C LYS A 47 9.267 4.268 1.028 1.00 0.00 C ATOM 661 O LYS A 47 8.866 4.553 2.157 1.00 0.00 O ATOM 662 CB LYS A 47 11.510 5.372 1.081 1.00 0.00 C ATOM 663 CG LYS A 47 12.737 4.805 0.387 1.00 0.00 C ATOM 664 CD LYS A 47 12.680 3.289 0.304 1.00 0.00 C ATOM 665 CE LYS A 47 13.913 2.650 0.923 1.00 0.00 C ATOM 666 NZ LYS A 47 14.133 1.266 0.420 1.00 0.00 N ATOM 0 H LYS A 47 9.855 7.217 0.703 1.00 0.00 H new ATOM 0 HA LYS A 47 10.454 4.746 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.668 6.434 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.395 4.888 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.814 5.223 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.634 5.107 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.787 2.929 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.595 2.984 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.788 3.260 0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.806 2.629 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.983 0.866 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.309 0.676 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.261 1.288 -0.612 1.00 0.00 H new ATOM 680 N ILE A 48 8.910 3.157 0.393 1.00 0.00 N ATOM 681 CA ILE A 48 8.007 2.186 1.000 1.00 0.00 C ATOM 682 C ILE A 48 8.700 0.843 1.202 1.00 0.00 C ATOM 683 O ILE A 48 9.237 0.260 0.259 1.00 0.00 O ATOM 684 CB ILE A 48 6.746 1.977 0.143 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.060 3.317 -0.130 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.788 1.017 0.835 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.593 3.477 -1.560 1.00 0.00 C ATOM 0 H ILE A 48 9.232 2.906 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 48 7.714 2.590 1.969 1.00 0.00 H new ATOM 0 HB ILE A 48 7.042 1.540 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.204 3.420 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.751 4.125 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.901 0.879 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.280 0.056 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.496 1.428 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.116 4.450 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.448 3.406 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.877 2.690 -1.799 1.00 0.00 H new ATOM 699 N THR A 49 8.683 0.354 2.439 1.00 0.00 N ATOM 700 CA THR A 49 9.308 -0.921 2.764 1.00 0.00 C ATOM 701 C THR A 49 8.417 -1.754 3.680 1.00 0.00 C ATOM 702 O THR A 49 7.719 -1.215 4.539 1.00 0.00 O ATOM 703 CB THR A 49 10.676 -0.718 3.444 1.00 0.00 C ATOM 704 OG1 THR A 49 11.429 -1.935 3.402 1.00 0.00 O ATOM 705 CG2 THR A 49 10.501 -0.275 4.890 1.00 0.00 C ATOM 0 H THR A 49 8.243 0.822 3.231 1.00 0.00 H new ATOM 0 HA THR A 49 9.452 -1.451 1.823 1.00 0.00 H new ATOM 0 HB THR A 49 11.214 0.061 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.298 -1.797 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.480 -0.138 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.952 0.666 4.918 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.946 -1.036 5.439 1.00 0.00 H new ATOM 713 N CYS A 50 8.444 -3.068 3.488 1.00 0.00 N ATOM 714 CA CYS A 50 7.637 -3.974 4.298 1.00 0.00 C ATOM 715 C CYS A 50 8.466 -4.581 5.425 1.00 0.00 C ATOM 716 O CYS A 50 9.696 -4.614 5.357 1.00 0.00 O ATOM 717 CB CYS A 50 7.053 -5.086 3.425 1.00 0.00 C ATOM 718 SG CYS A 50 8.289 -6.206 2.728 1.00 0.00 S ATOM 0 H CYS A 50 9.015 -3.529 2.780 1.00 0.00 H new ATOM 0 HA CYS A 50 6.822 -3.400 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.347 -5.666 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.488 -4.634 2.610 1.00 0.00 H new ATOM 0 HG CYS A 50 7.697 -7.112 2.008 1.00 0.00 H new ATOM 858 N LEU A 60 0.708 -13.406 10.539 1.00 0.00 N ATOM 859 CA LEU A 60 -0.704 -13.048 10.449 1.00 0.00 C ATOM 860 C LEU A 60 -0.899 -11.829 9.554 1.00 0.00 C ATOM 861 O LEU A 60 -1.666 -11.868 8.591 1.00 0.00 O ATOM 862 CB LEU A 60 -1.270 -12.769 11.841 1.00 0.00 C ATOM 863 CG LEU A 60 -1.514 -13.994 12.724 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.470 -13.608 14.195 1.00 0.00 C ATOM 865 CD2 LEU A 60 -2.847 -14.643 12.380 1.00 0.00 C ATOM 0 HA LEU A 60 -1.240 -13.889 10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.585 -12.101 12.363 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.213 -12.234 11.728 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.721 -14.718 12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.646 -14.492 14.808 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.492 -13.190 14.432 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.241 -12.865 14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.004 -15.513 13.018 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.653 -13.926 12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.841 -14.956 11.336 1.00 0.00 H new ATOM 877 N SER A 61 -0.200 -10.746 9.877 1.00 0.00 N ATOM 878 CA SER A 61 -0.297 -9.514 9.103 1.00 0.00 C ATOM 879 C SER A 61 1.082 -8.898 8.885 1.00 0.00 C ATOM 880 O SER A 61 2.038 -9.225 9.588 1.00 0.00 O ATOM 881 CB SER A 61 -1.208 -8.511 9.814 1.00 0.00 C ATOM 882 OG SER A 61 -2.565 -8.912 9.737 1.00 0.00 O ATOM 0 H SER A 61 0.440 -10.697 10.670 1.00 0.00 H new ATOM 0 HA SER A 61 -0.725 -9.758 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.911 -8.422 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.091 -7.525 9.364 1.00 0.00 H new ATOM 0 HG SER A 61 -3.127 -8.256 10.200 1.00 0.00 H new ATOM 888 N ARG A 62 1.176 -8.006 7.904 1.00 0.00 N ATOM 889 CA ARG A 62 2.437 -7.346 7.591 1.00 0.00 C ATOM 890 C ARG A 62 2.368 -5.857 7.920 1.00 0.00 C ATOM 891 O ARG A 62 1.294 -5.321 8.197 1.00 0.00 O ATOM 892 CB ARG A 62 2.785 -7.537 6.114 1.00 0.00 C ATOM 893 CG ARG A 62 3.726 -8.703 5.856 1.00 0.00 C ATOM 894 CD ARG A 62 5.159 -8.230 5.667 1.00 0.00 C ATOM 895 NE ARG A 62 5.695 -8.618 4.365 1.00 0.00 N ATOM 896 CZ ARG A 62 6.050 -9.860 4.055 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.925 -10.831 4.950 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.531 -10.134 2.849 1.00 0.00 N ATOM 0 H ARG A 62 0.394 -7.724 7.313 1.00 0.00 H new ATOM 0 HA ARG A 62 3.217 -7.800 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.865 -7.692 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.241 -6.622 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.679 -9.402 6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.400 -9.245 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.199 -7.145 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.785 -8.646 6.456 1.00 0.00 H new ATOM 0 HE ARG A 62 5.803 -7.895 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.556 -10.625 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.198 -11.784 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.629 -9.390 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.803 -11.088 2.613 1.00 0.00 H new ATOM 912 N LEU A 63 3.519 -5.195 7.886 1.00 0.00 N ATOM 913 CA LEU A 63 3.589 -3.767 8.180 1.00 0.00 C ATOM 914 C LEU A 63 4.486 -3.049 7.177 1.00 0.00 C ATOM 915 O LEU A 63 5.590 -3.506 6.878 1.00 0.00 O ATOM 916 CB LEU A 63 4.111 -3.545 9.600 1.00 0.00 C ATOM 917 CG LEU A 63 4.185 -2.091 10.068 1.00 0.00 C ATOM 918 CD1 LEU A 63 2.818 -1.431 9.973 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.718 -2.016 11.491 1.00 0.00 C ATOM 0 H LEU A 63 4.416 -5.623 7.658 1.00 0.00 H new ATOM 0 HA LEU A 63 2.584 -3.354 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.473 -4.096 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.108 -3.980 9.671 1.00 0.00 H new ATOM 0 HG LEU A 63 4.872 -1.553 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.889 -0.397 10.310 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.474 -1.453 8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.109 -1.970 10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.764 -0.974 11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.056 -2.569 12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.717 -2.451 11.529 1.00 0.00 H new ATOM 931 N ILE A 64 4.006 -1.921 6.664 1.00 0.00 N ATOM 932 CA ILE A 64 4.767 -1.138 5.698 1.00 0.00 C ATOM 933 C ILE A 64 5.330 0.127 6.337 1.00 0.00 C ATOM 934 O ILE A 64 4.838 0.587 7.368 1.00 0.00 O ATOM 935 CB ILE A 64 3.902 -0.745 4.487 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.667 -1.958 3.585 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.562 0.382 3.706 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.945 -2.599 3.089 1.00 0.00 C ATOM 0 H ILE A 64 3.095 -1.529 6.901 1.00 0.00 H new ATOM 0 HA ILE A 64 5.589 -1.768 5.359 1.00 0.00 H new ATOM 0 HB ILE A 64 2.936 -0.392 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.086 -2.701 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.067 -1.652 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.938 0.648 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.682 1.251 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.540 0.055 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.702 -3.452 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.518 -1.871 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.537 -2.936 3.940 1.00 0.00 H new ATOM 950 N LYS A 65 6.364 0.685 5.719 1.00 0.00 N ATOM 951 CA LYS A 65 6.995 1.900 6.225 1.00 0.00 C ATOM 952 C LYS A 65 7.112 2.950 5.125 1.00 0.00 C ATOM 953 O LYS A 65 7.939 2.826 4.222 1.00 0.00 O ATOM 954 CB LYS A 65 8.380 1.581 6.791 1.00 0.00 C ATOM 955 CG LYS A 65 8.428 1.568 8.310 1.00 0.00 C ATOM 956 CD LYS A 65 9.841 1.334 8.820 1.00 0.00 C ATOM 957 CE LYS A 65 9.940 0.034 9.604 1.00 0.00 C ATOM 958 NZ LYS A 65 11.353 -0.311 9.927 1.00 0.00 N ATOM 0 H LYS A 65 6.784 0.316 4.866 1.00 0.00 H new ATOM 0 HA LYS A 65 6.368 2.302 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.701 0.609 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.093 2.317 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.053 2.516 8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.769 0.787 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.533 1.307 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.143 2.167 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.367 0.122 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.492 -0.774 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.379 -1.203 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.894 -0.420 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.773 0.448 10.500 1.00 0.00 H new ATOM 972 N ILE A 66 6.281 3.983 5.210 1.00 0.00 N ATOM 973 CA ILE A 66 6.295 5.056 4.223 1.00 0.00 C ATOM 974 C ILE A 66 7.132 6.236 4.705 1.00 0.00 C ATOM 975 O ILE A 66 6.923 6.750 5.805 1.00 0.00 O ATOM 976 CB ILE A 66 4.870 5.547 3.905 1.00 0.00 C ATOM 977 CG1 ILE A 66 3.977 4.369 3.511 1.00 0.00 C ATOM 978 CG2 ILE A 66 4.903 6.588 2.796 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.563 4.480 4.037 1.00 0.00 C ATOM 0 H ILE A 66 5.590 4.100 5.951 1.00 0.00 H new ATOM 0 HA ILE A 66 6.740 4.645 3.317 1.00 0.00 H new ATOM 0 HB ILE A 66 4.454 6.011 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.947 4.294 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.423 3.446 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.889 6.925 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.509 7.437 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.336 6.149 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.987 3.611 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.582 4.524 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.099 5.385 3.645 1.00 0.00 H new ATOM 991 N SER A 67 8.077 6.663 3.875 1.00 0.00 N ATOM 992 CA SER A 67 8.947 7.783 4.218 1.00 0.00 C ATOM 993 C SER A 67 9.095 8.736 3.036 1.00 0.00 C ATOM 994 O SER A 67 8.843 8.368 1.890 1.00 0.00 O ATOM 995 CB SER A 67 10.322 7.272 4.651 1.00 0.00 C ATOM 996 OG SER A 67 10.766 6.222 3.809 1.00 0.00 O ATOM 0 H SER A 67 8.261 6.251 2.960 1.00 0.00 H new ATOM 0 HA SER A 67 8.492 8.326 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.041 8.090 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.274 6.920 5.682 1.00 0.00 H new ATOM 0 HG SER A 67 11.648 5.915 4.107 1.00 0.00 H new ATOM 1002 N GLY A 68 9.507 9.967 3.325 1.00 0.00 N ATOM 1003 CA GLY A 68 9.682 10.956 2.277 1.00 0.00 C ATOM 1004 C GLY A 68 9.072 12.296 2.638 1.00 0.00 C ATOM 1005 O GLY A 68 8.818 12.576 3.810 1.00 0.00 O ATOM 0 H GLY A 68 9.723 10.297 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.746 11.086 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.228 10.590 1.356 1.00 0.00 H new ATOM 1009 N THR A 69 8.840 13.129 1.628 1.00 0.00 N ATOM 1010 CA THR A 69 8.259 14.449 1.845 1.00 0.00 C ATOM 1011 C THR A 69 6.750 14.360 2.037 1.00 0.00 C ATOM 1012 O THR A 69 6.102 13.451 1.520 1.00 0.00 O ATOM 1013 CB THR A 69 8.561 15.395 0.668 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.764 15.037 -0.466 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.036 15.342 0.295 1.00 0.00 C ATOM 0 H THR A 69 9.045 12.913 0.652 1.00 0.00 H new ATOM 0 HA THR A 69 8.714 14.851 2.750 1.00 0.00 H new ATOM 0 HB THR A 69 8.317 16.412 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.961 15.645 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.225 16.018 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.639 15.644 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.302 14.325 0.005 1.00 0.00 H new ATOM 1023 N GLN A 70 6.196 15.312 2.782 1.00 0.00 N ATOM 1024 CA GLN A 70 4.762 15.340 3.041 1.00 0.00 C ATOM 1025 C GLN A 70 3.973 14.993 1.782 1.00 0.00 C ATOM 1026 O GLN A 70 2.906 14.384 1.852 1.00 0.00 O ATOM 1027 CB GLN A 70 4.342 16.718 3.555 1.00 0.00 C ATOM 1028 CG GLN A 70 3.093 16.690 4.421 1.00 0.00 C ATOM 1029 CD GLN A 70 3.379 16.257 5.845 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.903 17.029 6.648 1.00 0.00 O ATOM 1031 NE2 GLN A 70 3.035 15.015 6.166 1.00 0.00 N ATOM 0 H GLN A 70 6.718 16.073 3.216 1.00 0.00 H new ATOM 0 HA GLN A 70 4.542 14.592 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.163 17.148 4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.169 17.377 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.640 17.681 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.364 16.011 3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.603 14.409 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.203 14.667 7.110 1.00 0.00 H new ATOM 1040 N LYS A 71 4.508 15.383 0.629 1.00 0.00 N ATOM 1041 CA LYS A 71 3.857 15.113 -0.647 1.00 0.00 C ATOM 1042 C LYS A 71 3.823 13.616 -0.934 1.00 0.00 C ATOM 1043 O LYS A 71 2.758 13.040 -1.150 1.00 0.00 O ATOM 1044 CB LYS A 71 4.583 15.845 -1.779 1.00 0.00 C ATOM 1045 CG LYS A 71 4.334 17.344 -1.792 1.00 0.00 C ATOM 1046 CD LYS A 71 2.864 17.662 -2.013 1.00 0.00 C ATOM 1047 CE LYS A 71 2.659 19.130 -2.354 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.236 19.542 -2.196 1.00 0.00 N ATOM 0 H LYS A 71 5.391 15.887 0.553 1.00 0.00 H new ATOM 0 HA LYS A 71 2.831 15.477 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.654 15.664 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.267 15.424 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.663 17.777 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.930 17.806 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.473 17.042 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.297 17.413 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.289 19.744 -1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.978 19.313 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.137 20.549 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.638 18.974 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.938 19.392 -1.211 1.00 0.00 H new ATOM 1062 N GLU A 72 4.997 12.991 -0.934 1.00 0.00 N ATOM 1063 CA GLU A 72 5.100 11.560 -1.195 1.00 0.00 C ATOM 1064 C GLU A 72 4.410 10.756 -0.096 1.00 0.00 C ATOM 1065 O GLU A 72 3.362 10.152 -0.318 1.00 0.00 O ATOM 1066 CB GLU A 72 6.568 11.143 -1.302 1.00 0.00 C ATOM 1067 CG GLU A 72 7.433 12.146 -2.048 1.00 0.00 C ATOM 1068 CD GLU A 72 6.818 12.583 -3.362 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.633 12.977 -3.362 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.523 12.532 -4.392 1.00 0.00 O ATOM 0 H GLU A 72 5.889 13.453 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 72 4.601 11.352 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.971 11.003 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.627 10.179 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.594 13.021 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.412 11.706 -2.238 1.00 0.00 H new ATOM 1077 N VAL A 73 5.008 10.753 1.091 1.00 0.00 N ATOM 1078 CA VAL A 73 4.454 10.025 2.226 1.00 0.00 C ATOM 1079 C VAL A 73 2.931 10.099 2.234 1.00 0.00 C ATOM 1080 O VAL A 73 2.256 9.172 2.682 1.00 0.00 O ATOM 1081 CB VAL A 73 4.991 10.572 3.561 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.439 9.767 4.729 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.512 10.562 3.568 1.00 0.00 C ATOM 0 H VAL A 73 5.877 11.247 1.292 1.00 0.00 H new ATOM 0 HA VAL A 73 4.765 8.986 2.118 1.00 0.00 H new ATOM 0 HB VAL A 73 4.657 11.604 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.830 10.168 5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.351 9.831 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.741 8.725 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.874 10.952 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.870 9.541 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.884 11.186 2.755 1.00 0.00 H new ATOM 1093 N ALA A 74 2.395 11.208 1.736 1.00 0.00 N ATOM 1094 CA ALA A 74 0.951 11.403 1.683 1.00 0.00 C ATOM 1095 C ALA A 74 0.358 10.773 0.427 1.00 0.00 C ATOM 1096 O ALA A 74 -0.688 10.128 0.480 1.00 0.00 O ATOM 1097 CB ALA A 74 0.616 12.886 1.742 1.00 0.00 C ATOM 0 H ALA A 74 2.939 11.986 1.363 1.00 0.00 H new ATOM 0 HA ALA A 74 0.510 10.908 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.465 13.017 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.998 13.309 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.075 13.397 0.895 1.00 0.00 H new ATOM 1103 N ALA A 75 1.032 10.969 -0.701 1.00 0.00 N ATOM 1104 CA ALA A 75 0.572 10.419 -1.971 1.00 0.00 C ATOM 1105 C ALA A 75 0.723 8.902 -2.000 1.00 0.00 C ATOM 1106 O ALA A 75 -0.243 8.176 -2.237 1.00 0.00 O ATOM 1107 CB ALA A 75 1.335 11.049 -3.127 1.00 0.00 C ATOM 0 H ALA A 75 1.898 11.504 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.487 10.655 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.981 10.629 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.172 12.127 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.400 10.843 -3.015 1.00 0.00 H new ATOM 1113 N ALA A 76 1.941 8.428 -1.756 1.00 0.00 N ATOM 1114 CA ALA A 76 2.217 6.997 -1.753 1.00 0.00 C ATOM 1115 C ALA A 76 1.207 6.245 -0.893 1.00 0.00 C ATOM 1116 O ALA A 76 0.682 5.207 -1.297 1.00 0.00 O ATOM 1117 CB ALA A 76 3.632 6.735 -1.260 1.00 0.00 C ATOM 0 H ALA A 76 2.752 9.014 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 76 2.126 6.632 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.825 5.662 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.344 7.234 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.741 7.121 -0.247 1.00 0.00 H new ATOM 1123 N LYS A 77 0.940 6.773 0.296 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.008 6.153 1.215 1.00 0.00 C ATOM 1125 C LYS A 77 -1.284 5.745 0.486 1.00 0.00 C ATOM 1126 O LYS A 77 -1.802 4.646 0.688 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.345 7.113 2.358 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.701 6.410 3.657 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.352 7.363 4.646 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.347 7.883 5.662 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.017 8.426 6.876 1.00 0.00 N ATOM 0 H LYS A 77 1.367 7.630 0.647 1.00 0.00 H new ATOM 0 HA LYS A 77 0.456 5.257 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.507 7.771 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.180 7.745 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.378 5.581 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.199 5.984 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.794 8.201 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.164 6.853 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.329 7.078 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.262 8.662 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.298 8.770 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.643 9.211 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.578 7.676 7.327 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.786 6.637 -0.363 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.001 6.367 -1.124 1.00 0.00 C ATOM 1147 C HIS A 78 -2.777 5.237 -2.124 1.00 0.00 C ATOM 1148 O HIS A 78 -3.658 4.403 -2.342 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.458 7.629 -1.857 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.839 7.523 -2.428 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.965 7.958 -1.761 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.272 7.028 -3.611 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.030 7.734 -2.509 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.638 7.171 -3.637 1.00 0.00 N ATOM 0 H HIS A 78 -1.371 7.552 -0.541 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.778 6.059 -0.424 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.422 8.473 -1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.756 7.846 -2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.658 6.600 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.049 7.971 -2.243 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.250 6.888 -4.403 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.595 5.214 -2.729 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.256 4.187 -3.707 1.00 0.00 C ATOM 1164 C LEU A 79 -1.243 2.804 -3.062 1.00 0.00 C ATOM 1165 O LEU A 79 -1.667 1.821 -3.669 1.00 0.00 O ATOM 1166 CB LEU A 79 0.108 4.481 -4.335 1.00 0.00 C ATOM 1167 CG LEU A 79 0.259 5.850 -4.999 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.679 6.043 -5.509 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.743 6.003 -6.136 1.00 0.00 C ATOM 0 H LEU A 79 -0.855 5.895 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.018 4.198 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.870 4.389 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.316 3.713 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 79 0.055 6.619 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.767 7.023 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.377 5.976 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.912 5.268 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.622 6.983 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.569 5.227 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.756 5.909 -5.744 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.754 2.737 -1.828 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.689 1.476 -1.100 1.00 0.00 C ATOM 1183 C ILE A 80 -2.084 0.920 -0.838 1.00 0.00 C ATOM 1184 O ILE A 80 -2.318 -0.283 -0.965 1.00 0.00 O ATOM 1185 CB ILE A 80 0.047 1.639 0.244 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.556 1.749 0.014 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -0.271 0.472 1.167 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.147 3.054 0.498 1.00 0.00 C ATOM 0 H ILE A 80 -0.397 3.541 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.134 0.778 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.296 2.557 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.054 0.923 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.762 1.639 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.256 0.602 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.345 0.437 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.047 -0.459 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.219 3.062 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.676 3.884 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.972 3.158 1.569 1.00 0.00 H new ATOM 1200 N LEU A 81 -3.009 1.803 -0.475 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.383 1.401 -0.199 1.00 0.00 C ATOM 1202 C LEU A 81 -5.098 0.984 -1.480 1.00 0.00 C ATOM 1203 O LEU A 81 -5.916 0.066 -1.474 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.144 2.545 0.475 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.942 2.690 1.983 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.838 1.720 2.737 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -3.482 2.465 2.349 1.00 0.00 C ATOM 0 H LEU A 81 -2.832 2.801 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.356 0.544 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.851 3.480 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.208 2.409 0.283 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.216 3.705 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.681 1.838 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.881 1.928 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.596 0.698 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.356 2.572 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.181 1.462 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.861 3.200 1.837 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.780 1.665 -2.577 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.392 1.363 -3.866 1.00 0.00 C ATOM 1221 C GLU A 82 -5.246 -0.118 -4.205 1.00 0.00 C ATOM 1222 O GLU A 82 -6.000 -0.658 -5.013 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.757 2.214 -4.968 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.347 3.611 -5.075 1.00 0.00 C ATOM 1225 CD GLU A 82 -6.104 3.826 -6.371 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.613 3.375 -7.427 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -7.188 4.445 -6.328 1.00 0.00 O ATOM 0 H GLU A 82 -4.103 2.428 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.454 1.599 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.686 2.294 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.877 1.704 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.018 3.783 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.546 4.347 -5.000 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.270 -0.768 -3.579 1.00 0.00 N ATOM 1235 CA LYS A 83 -4.024 -2.186 -3.812 1.00 0.00 C ATOM 1236 C LYS A 83 -4.798 -3.043 -2.815 1.00 0.00 C ATOM 1237 O LYS A 83 -5.426 -4.033 -3.190 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.528 -2.489 -3.707 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.749 -2.153 -4.967 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.487 -0.660 -5.080 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.040 -0.278 -6.483 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.192 -0.153 -7.417 1.00 0.00 N ATOM 0 H LYS A 83 -3.637 -0.335 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.368 -2.429 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.110 -1.928 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.395 -3.547 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.801 -2.690 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.305 -2.493 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.392 -0.110 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.722 -0.368 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.498 0.667 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.346 -1.029 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.846 0.108 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.695 -1.062 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.841 0.582 -7.071 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.749 -2.656 -1.545 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.448 -3.387 -0.495 1.00 0.00 C ATOM 1258 C VAL A 84 -6.927 -3.544 -0.825 1.00 0.00 C ATOM 1259 O VAL A 84 -7.549 -4.547 -0.475 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.309 -2.681 0.868 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.018 -3.476 1.954 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.842 -2.478 1.216 1.00 0.00 C ATOM 0 H VAL A 84 -4.232 -1.840 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.986 -4.373 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.781 -1.701 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.910 -2.963 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.076 -3.565 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.577 -4.470 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.763 -1.978 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.343 -3.446 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.368 -1.864 0.450 1.00 0.00 H new ATOM 1272 N SER A 85 -7.485 -2.547 -1.504 1.00 0.00 N ATOM 1273 CA SER A 85 -8.894 -2.572 -1.880 1.00 0.00 C ATOM 1274 C SER A 85 -9.129 -3.536 -3.038 1.00 0.00 C ATOM 1275 O SER A 85 -10.171 -4.187 -3.115 1.00 0.00 O ATOM 1276 CB SER A 85 -9.366 -1.169 -2.265 1.00 0.00 C ATOM 1277 OG SER A 85 -10.217 -0.627 -1.270 1.00 0.00 O ATOM 0 H SER A 85 -6.983 -1.712 -1.805 1.00 0.00 H new ATOM 0 HA SER A 85 -9.468 -2.917 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.504 -0.517 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.894 -1.208 -3.218 1.00 0.00 H new ATOM 0 HG SER A 85 -10.504 0.271 -1.539 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.154 -3.622 -3.937 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.255 -4.506 -5.092 1.00 0.00 C ATOM 1285 C GLU A 86 -8.436 -5.956 -4.654 1.00 0.00 C ATOM 1286 O GLU A 86 -9.453 -6.583 -4.950 1.00 0.00 O ATOM 1287 CB GLU A 86 -7.009 -4.378 -5.971 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.089 -3.247 -6.982 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.560 -3.645 -8.346 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -7.342 -4.204 -9.145 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.366 -3.399 -8.615 1.00 0.00 O ATOM 0 H GLU A 86 -7.285 -3.090 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.130 -4.208 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.139 -4.222 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.851 -5.317 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.125 -2.924 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.522 -2.393 -6.612 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.441 -6.482 -3.947 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.489 -7.858 -3.466 1.00 0.00 C ATOM 1300 C ASP A 87 -8.636 -8.048 -2.478 1.00 0.00 C ATOM 1301 O ASP A 87 -9.220 -9.128 -2.392 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.162 -8.237 -2.807 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.906 -9.731 -2.840 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.434 -10.443 -1.961 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -5.178 -10.188 -3.746 1.00 0.00 O ATOM 0 H ASP A 87 -6.592 -5.976 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.659 -8.511 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.347 -7.720 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.162 -7.894 -1.772 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.950 -6.993 -1.733 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.025 -7.046 -0.749 1.00 0.00 C ATOM 1312 C GLU A 88 -11.353 -7.399 -1.413 1.00 0.00 C ATOM 1313 O GLU A 88 -12.189 -8.084 -0.824 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.146 -5.706 -0.022 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.555 -5.399 0.459 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.660 -4.045 1.134 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.887 -3.045 0.425 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -11.514 -3.989 2.374 1.00 0.00 O ATOM 0 H GLU A 88 -8.476 -6.092 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.783 -7.824 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.471 -5.704 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.817 -4.909 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.239 -5.432 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.874 -6.174 1.156 1.00 0.00 H new