USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN : amide:sc= 0.628 X(o=1.2,f=1.2) USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.534 USER MOD Single : A 14 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -48:sc= 0.906 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 155:sc= -0.806 (180deg=-1.44) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -114:sc= 1.4 USER MOD Single : A 40 SER OG : rot 46:sc= 0.624 USER MOD Single : A 50 SER OG : rot 180:sc= -0.183 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.941 K(o=-0.94,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0.016 (180deg=0.00264) USER MOD Single : A 64 TYR OH : rot -152:sc= 0.741! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -104:sc= -0.234! USER MOD Single : A 70 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 24:sc= 0.612 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 8.042 -0.493 5.857 1.00 0.00 N ATOM 143 CA LEU A 13 6.682 0.025 5.779 1.00 0.00 C ATOM 144 C LEU A 13 5.769 -0.691 6.768 1.00 0.00 C ATOM 145 O LEU A 13 5.603 -1.910 6.704 1.00 0.00 O ATOM 146 CB LEU A 13 6.136 -0.130 4.357 1.00 0.00 C ATOM 147 CG LEU A 13 6.991 0.510 3.261 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.588 -0.019 1.894 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.865 2.025 3.307 1.00 0.00 C ATOM 0 HA LEU A 13 6.707 1.084 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.029 -1.193 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.137 0.305 4.318 1.00 0.00 H new ATOM 0 HG LEU A 13 8.034 0.246 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.206 0.447 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.728 -1.100 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.540 0.216 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.479 2.465 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.823 2.308 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.202 2.389 4.278 1.00 0.00 H new ATOM 161 N HIS A 14 5.177 0.073 7.680 1.00 0.00 N ATOM 162 CA HIS A 14 4.279 -0.490 8.683 1.00 0.00 C ATOM 163 C HIS A 14 2.933 0.225 8.669 1.00 0.00 C ATOM 164 O HIS A 14 1.884 -0.408 8.545 1.00 0.00 O ATOM 165 CB HIS A 14 4.908 -0.394 10.075 1.00 0.00 C ATOM 166 CG HIS A 14 5.536 0.936 10.359 1.00 0.00 C ATOM 167 ND1 HIS A 14 5.066 1.819 11.307 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.619 1.530 9.799 1.00 0.00 C ATOM 169 CE1 HIS A 14 5.861 2.898 11.292 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.819 2.772 10.395 1.00 0.00 N ATOM 0 H HIS A 14 5.302 1.083 7.746 1.00 0.00 H new ATOM 0 HA HIS A 14 4.115 -1.540 8.439 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.142 -0.592 10.825 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.664 -1.173 10.177 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.229 1.107 9.015 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.733 3.759 11.932 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.555 3.445 10.182 1.00 0.00 H new ATOM 178 N GLU A 15 2.967 1.549 8.798 1.00 0.00 N ATOM 179 CA GLU A 15 1.747 2.350 8.800 1.00 0.00 C ATOM 180 C GLU A 15 2.073 3.834 8.946 1.00 0.00 C ATOM 181 O GLU A 15 3.155 4.200 9.403 1.00 0.00 O ATOM 182 CB GLU A 15 0.818 1.903 9.933 1.00 0.00 C ATOM 183 CG GLU A 15 -0.613 1.660 9.485 1.00 0.00 C ATOM 184 CD GLU A 15 -1.599 1.697 10.636 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.524 0.806 11.510 1.00 0.00 O ATOM 186 OE2 GLU A 15 -2.444 2.614 10.665 1.00 0.00 O ATOM 0 H GLU A 15 3.826 2.089 8.902 1.00 0.00 H new ATOM 0 HA GLU A 15 1.240 2.200 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.212 0.988 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.821 2.662 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.892 2.413 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.675 0.691 8.989 1.00 0.00 H new ATOM 193 N GLY A 16 1.127 4.682 8.555 1.00 0.00 N ATOM 194 CA GLY A 16 1.333 6.115 8.651 1.00 0.00 C ATOM 195 C GLY A 16 2.508 6.592 7.821 1.00 0.00 C ATOM 196 O GLY A 16 3.142 7.594 8.148 1.00 0.00 O ATOM 0 H GLY A 16 0.223 4.403 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.430 6.631 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.496 6.386 9.694 1.00 0.00 H new ATOM 200 N SER A 17 2.799 5.872 6.742 1.00 0.00 N ATOM 201 CA SER A 17 3.907 6.227 5.863 1.00 0.00 C ATOM 202 C SER A 17 3.395 6.858 4.572 1.00 0.00 C ATOM 203 O SER A 17 2.204 6.789 4.264 1.00 0.00 O ATOM 204 CB SER A 17 4.747 4.990 5.540 1.00 0.00 C ATOM 205 OG SER A 17 5.665 4.711 6.582 1.00 0.00 O ATOM 0 H SER A 17 2.283 5.040 6.456 1.00 0.00 H new ATOM 0 HA SER A 17 4.530 6.955 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.093 4.132 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.288 5.147 4.607 1.00 0.00 H new ATOM 0 HG SER A 17 6.189 3.915 6.352 1.00 0.00 H new ATOM 211 N GLN A 18 4.301 7.475 3.821 1.00 0.00 N ATOM 212 CA GLN A 18 3.941 8.120 2.562 1.00 0.00 C ATOM 213 C GLN A 18 4.772 7.564 1.411 1.00 0.00 C ATOM 214 O GLN A 18 5.999 7.512 1.486 1.00 0.00 O ATOM 215 CB GLN A 18 4.140 9.634 2.666 1.00 0.00 C ATOM 216 CG GLN A 18 3.369 10.271 3.812 1.00 0.00 C ATOM 217 CD GLN A 18 1.951 10.639 3.426 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.699 11.726 2.905 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.014 9.734 3.682 1.00 0.00 N ATOM 0 H GLN A 18 5.290 7.542 4.062 1.00 0.00 H new ATOM 0 HA GLN A 18 2.890 7.912 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.202 9.845 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.832 10.098 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.345 9.582 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.895 11.166 4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.267 8.846 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.041 9.927 3.446 1.00 0.00 H new ATOM 228 N VAL A 19 4.094 7.150 0.345 1.00 0.00 N ATOM 229 CA VAL A 19 4.770 6.599 -0.823 1.00 0.00 C ATOM 230 C VAL A 19 4.205 7.184 -2.113 1.00 0.00 C ATOM 231 O VAL A 19 3.011 7.467 -2.207 1.00 0.00 O ATOM 232 CB VAL A 19 4.646 5.064 -0.872 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.548 4.421 0.169 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.199 4.640 -0.671 1.00 0.00 C ATOM 0 H VAL A 19 3.078 7.186 0.267 1.00 0.00 H new ATOM 0 HA VAL A 19 5.822 6.869 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 19 4.968 4.723 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.446 3.337 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.584 4.698 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.261 4.767 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.130 3.553 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.848 4.993 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.581 5.070 -1.459 1.00 0.00 H new ATOM 244 N LEU A 20 5.072 7.363 -3.103 1.00 0.00 N ATOM 245 CA LEU A 20 4.659 7.916 -4.389 1.00 0.00 C ATOM 246 C LEU A 20 4.710 6.851 -5.480 1.00 0.00 C ATOM 247 O LEU A 20 5.699 6.131 -5.612 1.00 0.00 O ATOM 248 CB LEU A 20 5.552 9.097 -4.771 1.00 0.00 C ATOM 249 CG LEU A 20 5.223 9.749 -6.115 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.979 10.615 -5.998 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.403 10.571 -6.609 1.00 0.00 C ATOM 0 H LEU A 20 6.064 7.134 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 20 3.631 8.264 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.481 9.854 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.588 8.758 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 20 5.024 8.961 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.761 11.071 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.135 9.999 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.148 11.397 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.153 11.028 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.632 11.351 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.271 9.924 -6.732 1.00 0.00 H new ATOM 263 N LEU A 21 3.637 6.757 -6.259 1.00 0.00 N ATOM 264 CA LEU A 21 3.559 5.780 -7.339 1.00 0.00 C ATOM 265 C LEU A 21 4.591 6.080 -8.421 1.00 0.00 C ATOM 266 O LEU A 21 4.834 7.240 -8.756 1.00 0.00 O ATOM 267 CB LEU A 21 2.155 5.768 -7.946 1.00 0.00 C ATOM 268 CG LEU A 21 1.030 5.420 -6.969 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.315 5.436 -7.677 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.283 4.062 -6.331 1.00 0.00 C ATOM 0 H LEU A 21 2.810 7.346 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 21 3.774 4.797 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.953 6.750 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.137 5.052 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 21 1.011 6.173 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.103 5.186 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.498 6.429 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.310 4.704 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.474 3.829 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.328 3.298 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.229 4.085 -5.789 1.00 0.00 H new ATOM 282 N THR A 22 5.195 5.028 -8.964 1.00 0.00 N ATOM 283 CA THR A 22 6.201 5.180 -10.009 1.00 0.00 C ATOM 284 C THR A 22 5.593 4.949 -11.388 1.00 0.00 C ATOM 285 O THR A 22 6.254 4.440 -12.292 1.00 0.00 O ATOM 286 CB THR A 22 7.357 4.205 -9.779 1.00 0.00 C ATOM 287 OG1 THR A 22 8.382 4.407 -10.735 1.00 0.00 O ATOM 288 CG2 THR A 22 6.939 2.752 -9.855 1.00 0.00 C ATOM 0 H THR A 22 5.006 4.062 -8.698 1.00 0.00 H new ATOM 0 HA THR A 22 6.581 6.201 -9.966 1.00 0.00 H new ATOM 0 HB THR A 22 7.712 4.412 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.988 4.457 -11.631 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.806 2.114 -9.683 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.184 2.550 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.526 2.543 -10.842 1.00 0.00 H new ATOM 296 N SER A 23 4.328 5.329 -11.542 1.00 0.00 N ATOM 297 CA SER A 23 3.630 5.164 -12.811 1.00 0.00 C ATOM 298 C SER A 23 2.617 6.285 -13.023 1.00 0.00 C ATOM 299 O SER A 23 2.561 6.890 -14.094 1.00 0.00 O ATOM 300 CB SER A 23 2.927 3.804 -12.858 1.00 0.00 C ATOM 301 OG SER A 23 3.513 2.961 -13.834 1.00 0.00 O ATOM 0 H SER A 23 3.766 5.753 -10.804 1.00 0.00 H new ATOM 0 HA SER A 23 4.367 5.210 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.984 3.327 -11.879 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.870 3.945 -13.082 1.00 0.00 H new ATOM 0 HG SER A 23 3.048 2.099 -13.843 1.00 0.00 H new ATOM 307 N SER A 24 1.820 6.557 -11.995 1.00 0.00 N ATOM 308 CA SER A 24 0.809 7.606 -12.066 1.00 0.00 C ATOM 309 C SER A 24 1.339 8.921 -11.498 1.00 0.00 C ATOM 310 O SER A 24 0.793 9.989 -11.775 1.00 0.00 O ATOM 311 CB SER A 24 -0.450 7.181 -11.308 1.00 0.00 C ATOM 312 OG SER A 24 -0.708 5.798 -11.481 1.00 0.00 O ATOM 0 H SER A 24 1.855 6.065 -11.102 1.00 0.00 H new ATOM 0 HA SER A 24 0.560 7.762 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.331 7.402 -10.247 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.303 7.760 -11.661 1.00 0.00 H new ATOM 0 HG SER A 24 -1.517 5.552 -10.985 1.00 0.00 H new ATOM 318 N ASN A 25 2.402 8.837 -10.702 1.00 0.00 N ATOM 319 CA ASN A 25 3.000 10.022 -10.096 1.00 0.00 C ATOM 320 C ASN A 25 2.016 10.706 -9.153 1.00 0.00 C ATOM 321 O ASN A 25 1.718 11.892 -9.298 1.00 0.00 O ATOM 322 CB ASN A 25 3.458 11.002 -11.180 1.00 0.00 C ATOM 323 CG ASN A 25 4.544 10.420 -12.065 1.00 0.00 C ATOM 324 OD1 ASN A 25 4.285 10.007 -13.195 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.768 10.385 -11.552 1.00 0.00 N ATOM 0 H ASN A 25 2.866 7.961 -10.462 1.00 0.00 H new ATOM 0 HA ASN A 25 3.867 9.705 -9.517 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.604 11.284 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.826 11.914 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.540 10.004 -12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.937 10.739 -10.610 1.00 0.00 H new ATOM 332 N GLU A 26 1.513 9.949 -8.183 1.00 0.00 N ATOM 333 CA GLU A 26 0.563 10.479 -7.212 1.00 0.00 C ATOM 334 C GLU A 26 0.829 9.907 -5.824 1.00 0.00 C ATOM 335 O GLU A 26 0.848 8.691 -5.635 1.00 0.00 O ATOM 336 CB GLU A 26 -0.870 10.157 -7.642 1.00 0.00 C ATOM 337 CG GLU A 26 -1.446 11.155 -8.633 1.00 0.00 C ATOM 338 CD GLU A 26 -1.754 12.496 -7.996 1.00 0.00 C ATOM 339 OE1 GLU A 26 -1.184 12.789 -6.924 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.566 13.254 -8.569 1.00 0.00 O ATOM 0 H GLU A 26 1.748 8.966 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 26 0.689 11.561 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.892 9.162 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.507 10.126 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.740 11.299 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.358 10.745 -9.068 1.00 0.00 H new ATOM 347 N MET A 27 1.034 10.793 -4.854 1.00 0.00 N ATOM 348 CA MET A 27 1.300 10.377 -3.482 1.00 0.00 C ATOM 349 C MET A 27 0.139 9.556 -2.928 1.00 0.00 C ATOM 350 O MET A 27 -1.001 9.699 -3.369 1.00 0.00 O ATOM 351 CB MET A 27 1.545 11.598 -2.594 1.00 0.00 C ATOM 352 CG MET A 27 2.839 12.330 -2.912 1.00 0.00 C ATOM 353 SD MET A 27 3.594 13.070 -1.452 1.00 0.00 S ATOM 354 CE MET A 27 3.959 11.609 -0.481 1.00 0.00 C ATOM 0 H MET A 27 1.021 11.803 -4.993 1.00 0.00 H new ATOM 0 HA MET A 27 2.194 9.754 -3.485 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.710 12.290 -2.703 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.563 11.281 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.543 11.634 -3.367 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.640 13.109 -3.648 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.784 11.821 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.078 11.325 0.095 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.237 10.791 -1.145 1.00 0.00 H new ATOM 364 N ALA A 28 0.438 8.696 -1.959 1.00 0.00 N ATOM 365 CA ALA A 28 -0.581 7.853 -1.345 1.00 0.00 C ATOM 366 C ALA A 28 -0.195 7.475 0.081 1.00 0.00 C ATOM 367 O ALA A 28 0.962 7.160 0.359 1.00 0.00 O ATOM 368 CB ALA A 28 -0.804 6.603 -2.183 1.00 0.00 C ATOM 0 H ALA A 28 1.377 8.565 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.511 8.420 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.567 5.982 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.132 6.889 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.128 6.042 -2.254 1.00 0.00 H new ATOM 374 N THR A 29 -1.172 7.510 0.981 1.00 0.00 N ATOM 375 CA THR A 29 -0.934 7.171 2.380 1.00 0.00 C ATOM 376 C THR A 29 -1.088 5.674 2.610 1.00 0.00 C ATOM 377 O THR A 29 -2.061 5.063 2.167 1.00 0.00 O ATOM 378 CB THR A 29 -1.897 7.940 3.285 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.803 9.334 3.048 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.649 7.707 4.759 1.00 0.00 C ATOM 0 H THR A 29 -2.135 7.769 0.767 1.00 0.00 H new ATOM 0 HA THR A 29 0.089 7.455 2.627 1.00 0.00 H new ATOM 0 HB THR A 29 -2.889 7.563 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.428 9.809 3.635 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.367 8.282 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.764 6.647 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.637 8.024 5.012 1.00 0.00 H new ATOM 388 N VAL A 30 -0.120 5.088 3.303 1.00 0.00 N ATOM 389 CA VAL A 30 -0.145 3.662 3.591 1.00 0.00 C ATOM 390 C VAL A 30 -1.049 3.356 4.781 1.00 0.00 C ATOM 391 O VAL A 30 -0.827 3.852 5.885 1.00 0.00 O ATOM 392 CB VAL A 30 1.267 3.120 3.880 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.247 1.602 3.981 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.244 3.577 2.807 1.00 0.00 C ATOM 0 H VAL A 30 0.692 5.580 3.676 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.539 3.169 2.703 1.00 0.00 H new ATOM 0 HB VAL A 30 1.601 3.520 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.254 1.238 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.581 1.300 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.892 1.179 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.237 3.185 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.916 3.208 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.280 4.666 2.788 1.00 0.00 H new ATOM 404 N ARG A 31 -2.069 2.536 4.547 1.00 0.00 N ATOM 405 CA ARG A 31 -3.008 2.165 5.600 1.00 0.00 C ATOM 406 C ARG A 31 -2.795 0.717 6.032 1.00 0.00 C ATOM 407 O ARG A 31 -2.675 0.427 7.223 1.00 0.00 O ATOM 408 CB ARG A 31 -4.447 2.360 5.121 1.00 0.00 C ATOM 409 CG ARG A 31 -4.736 3.767 4.621 1.00 0.00 C ATOM 410 CD ARG A 31 -5.158 4.685 5.757 1.00 0.00 C ATOM 411 NE ARG A 31 -6.414 4.258 6.368 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.177 5.046 7.122 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.817 6.301 7.359 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.305 4.577 7.640 1.00 0.00 N ATOM 0 H ARG A 31 -2.266 2.116 3.639 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.828 2.812 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.654 1.649 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.128 2.127 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.848 4.172 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.523 3.732 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.375 4.707 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.266 5.702 5.380 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.725 3.300 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.951 6.667 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.406 6.900 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.587 3.613 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.890 5.180 8.218 1.00 0.00 H new ATOM 428 N TYR A 32 -2.749 -0.185 5.059 1.00 0.00 N ATOM 429 CA TYR A 32 -2.551 -1.603 5.339 1.00 0.00 C ATOM 430 C TYR A 32 -1.231 -2.094 4.754 1.00 0.00 C ATOM 431 O TYR A 32 -0.696 -1.499 3.817 1.00 0.00 O ATOM 432 CB TYR A 32 -3.710 -2.423 4.771 1.00 0.00 C ATOM 433 CG TYR A 32 -3.603 -3.904 5.061 1.00 0.00 C ATOM 434 CD1 TYR A 32 -2.856 -4.740 4.240 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.250 -4.465 6.154 1.00 0.00 C ATOM 436 CE1 TYR A 32 -2.756 -6.093 4.501 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.154 -5.818 6.422 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.407 -6.627 5.594 1.00 0.00 C ATOM 439 OH TYR A 32 -3.310 -7.974 5.857 1.00 0.00 O ATOM 0 H TYR A 32 -2.846 0.040 4.069 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.519 -1.733 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.646 -2.047 5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.755 -2.275 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.345 -4.325 3.384 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.837 -3.835 6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.171 -6.729 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.662 -6.239 7.277 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.826 -8.188 6.662 1.00 0.00 H new ATOM 449 N VAL A 33 -0.711 -3.183 5.312 1.00 0.00 N ATOM 450 CA VAL A 33 0.546 -3.754 4.846 1.00 0.00 C ATOM 451 C VAL A 33 0.585 -5.260 5.078 1.00 0.00 C ATOM 452 O VAL A 33 0.379 -5.731 6.197 1.00 0.00 O ATOM 453 CB VAL A 33 1.754 -3.107 5.550 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.055 -3.568 4.913 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.642 -1.590 5.514 1.00 0.00 C ATOM 0 H VAL A 33 -1.141 -3.687 6.087 1.00 0.00 H new ATOM 0 HA VAL A 33 0.607 -3.551 3.777 1.00 0.00 H new ATOM 0 HB VAL A 33 1.756 -3.424 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.896 -3.100 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.137 -4.652 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.066 -3.283 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.504 -1.150 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.613 -1.252 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.729 -1.280 6.022 1.00 0.00 H new ATOM 465 N GLY A 34 0.850 -6.011 4.014 1.00 0.00 N ATOM 466 CA GLY A 34 0.911 -7.457 4.123 1.00 0.00 C ATOM 467 C GLY A 34 0.294 -8.156 2.925 1.00 0.00 C ATOM 468 O GLY A 34 -0.119 -7.502 1.968 1.00 0.00 O ATOM 0 H GLY A 34 1.024 -5.644 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.951 -7.767 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.394 -7.772 5.030 1.00 0.00 H new ATOM 472 N PRO A 35 0.218 -9.498 2.950 1.00 0.00 N ATOM 473 CA PRO A 35 -0.357 -10.275 1.848 1.00 0.00 C ATOM 474 C PRO A 35 -1.868 -10.098 1.741 1.00 0.00 C ATOM 475 O PRO A 35 -2.537 -9.781 2.726 1.00 0.00 O ATOM 476 CB PRO A 35 -0.013 -11.721 2.214 1.00 0.00 C ATOM 477 CG PRO A 35 0.130 -11.712 3.697 1.00 0.00 C ATOM 478 CD PRO A 35 0.687 -10.360 4.051 1.00 0.00 C ATOM 0 HA PRO A 35 0.036 -9.961 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.798 -12.407 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.908 -12.044 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.832 -11.877 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.796 -12.508 4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.319 -10.014 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.775 -10.377 4.112 1.00 0.00 H new ATOM 486 N THR A 36 -2.400 -10.304 0.541 1.00 0.00 N ATOM 487 CA THR A 36 -3.833 -10.167 0.307 1.00 0.00 C ATOM 488 C THR A 36 -4.484 -11.529 0.095 1.00 0.00 C ATOM 489 O THR A 36 -3.797 -12.547 -0.006 1.00 0.00 O ATOM 490 CB THR A 36 -4.089 -9.272 -0.908 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.441 -9.789 -2.057 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.613 -7.849 -0.715 1.00 0.00 C ATOM 0 H THR A 36 -1.861 -10.566 -0.284 1.00 0.00 H new ATOM 0 HA THR A 36 -4.277 -9.707 1.190 1.00 0.00 H new ATOM 0 HB THR A 36 -5.171 -9.262 -1.035 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.737 -9.170 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.825 -7.269 -1.613 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.131 -7.404 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.539 -7.847 -0.527 1.00 0.00 H new ATOM 500 N ASP A 37 -5.811 -11.542 0.027 1.00 0.00 N ATOM 501 CA ASP A 37 -6.555 -12.781 -0.172 1.00 0.00 C ATOM 502 C ASP A 37 -6.997 -12.922 -1.626 1.00 0.00 C ATOM 503 O ASP A 37 -7.111 -14.032 -2.145 1.00 0.00 O ATOM 504 CB ASP A 37 -7.774 -12.822 0.751 1.00 0.00 C ATOM 505 CG ASP A 37 -8.029 -14.208 1.310 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.385 -14.571 2.316 1.00 0.00 O ATOM 507 OD2 ASP A 37 -8.875 -14.932 0.740 1.00 0.00 O ATOM 0 H ASP A 37 -6.394 -10.709 0.107 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.896 -13.615 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.627 -12.123 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.654 -12.487 0.202 1.00 0.00 H new ATOM 512 N PHE A 38 -7.245 -11.790 -2.276 1.00 0.00 N ATOM 513 CA PHE A 38 -7.676 -11.788 -3.669 1.00 0.00 C ATOM 514 C PHE A 38 -6.509 -12.097 -4.602 1.00 0.00 C ATOM 515 O PHE A 38 -6.690 -12.690 -5.665 1.00 0.00 O ATOM 516 CB PHE A 38 -8.290 -10.435 -4.033 1.00 0.00 C ATOM 517 CG PHE A 38 -7.321 -9.291 -3.935 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.148 -8.612 -2.739 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.585 -8.894 -5.039 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.258 -7.559 -2.646 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.693 -7.842 -4.953 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.529 -7.174 -3.755 1.00 0.00 C ATOM 0 H PHE A 38 -7.155 -10.863 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.430 -12.566 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.680 -10.484 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.137 -10.241 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.715 -8.909 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.710 -9.413 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.132 -7.038 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.125 -7.542 -5.821 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.832 -6.352 -3.685 1.00 0.00 H new ATOM 532 N ALA A 39 -5.310 -11.693 -4.194 1.00 0.00 N ATOM 533 CA ALA A 39 -4.112 -11.927 -4.993 1.00 0.00 C ATOM 534 C ALA A 39 -3.062 -12.690 -4.194 1.00 0.00 C ATOM 535 O ALA A 39 -3.203 -12.879 -2.986 1.00 0.00 O ATOM 536 CB ALA A 39 -3.544 -10.606 -5.490 1.00 0.00 C ATOM 0 H ALA A 39 -5.142 -11.202 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.390 -12.536 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.650 -10.795 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.288 -10.098 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.286 -9.977 -4.638 1.00 0.00 H new ATOM 542 N SER A 40 -2.008 -13.126 -4.876 1.00 0.00 N ATOM 543 CA SER A 40 -0.933 -13.869 -4.230 1.00 0.00 C ATOM 544 C SER A 40 0.331 -13.022 -4.132 1.00 0.00 C ATOM 545 O SER A 40 1.164 -13.022 -5.038 1.00 0.00 O ATOM 546 CB SER A 40 -0.638 -15.157 -5.002 1.00 0.00 C ATOM 547 OG SER A 40 -0.321 -14.881 -6.354 1.00 0.00 O ATOM 0 H SER A 40 -1.876 -12.977 -5.876 1.00 0.00 H new ATOM 0 HA SER A 40 -1.258 -14.124 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.192 -15.685 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.503 -15.818 -4.956 1.00 0.00 H new ATOM 0 HG SER A 40 0.323 -14.143 -6.395 1.00 0.00 H new ATOM 553 N GLY A 41 0.469 -12.300 -3.024 1.00 0.00 N ATOM 554 CA GLY A 41 1.633 -11.458 -2.827 1.00 0.00 C ATOM 555 C GLY A 41 1.387 -10.354 -1.818 1.00 0.00 C ATOM 556 O GLY A 41 0.269 -10.189 -1.330 1.00 0.00 O ATOM 0 H GLY A 41 -0.206 -12.284 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.469 -12.072 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.923 -11.016 -3.780 1.00 0.00 H new ATOM 560 N ILE A 42 2.433 -9.597 -1.504 1.00 0.00 N ATOM 561 CA ILE A 42 2.325 -8.504 -0.545 1.00 0.00 C ATOM 562 C ILE A 42 1.753 -7.253 -1.202 1.00 0.00 C ATOM 563 O ILE A 42 2.010 -6.982 -2.375 1.00 0.00 O ATOM 564 CB ILE A 42 3.692 -8.164 0.076 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.387 -9.436 0.564 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.523 -7.174 1.219 1.00 0.00 C ATOM 567 CD1 ILE A 42 3.576 -10.217 1.576 1.00 0.00 C ATOM 0 H ILE A 42 3.365 -9.720 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 42 1.650 -8.840 0.243 1.00 0.00 H new ATOM 0 HB ILE A 42 4.317 -7.703 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.598 -10.076 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.346 -9.169 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.498 -6.943 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.066 -6.259 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.883 -7.610 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.130 -11.106 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.386 -9.593 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.627 -10.515 1.130 1.00 0.00 H new ATOM 579 N TRP A 43 0.975 -6.492 -0.438 1.00 0.00 N ATOM 580 CA TRP A 43 0.366 -5.268 -0.945 1.00 0.00 C ATOM 581 C TRP A 43 0.351 -4.184 0.127 1.00 0.00 C ATOM 582 O TRP A 43 0.728 -4.425 1.274 1.00 0.00 O ATOM 583 CB TRP A 43 -1.057 -5.545 -1.430 1.00 0.00 C ATOM 584 CG TRP A 43 -1.115 -6.454 -2.620 1.00 0.00 C ATOM 585 CD1 TRP A 43 -1.108 -7.819 -2.610 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.186 -6.061 -3.995 1.00 0.00 C ATOM 587 NE1 TRP A 43 -1.171 -8.300 -3.895 1.00 0.00 N ATOM 588 CE2 TRP A 43 -1.220 -7.240 -4.764 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.225 -4.828 -4.653 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.292 -7.221 -6.154 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.296 -4.811 -6.032 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.328 -6.000 -6.771 1.00 0.00 C ATOM 0 H TRP A 43 0.752 -6.702 0.535 1.00 0.00 H new ATOM 0 HA TRP A 43 0.964 -4.914 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.630 -5.988 -0.616 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.538 -4.599 -1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.060 -8.431 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.180 -9.285 -4.160 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.200 -3.905 -4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.319 -8.137 -6.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.327 -3.864 -6.550 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.382 -5.953 -7.849 1.00 0.00 H new ATOM 603 N LEU A 44 -0.090 -2.989 -0.253 1.00 0.00 N ATOM 604 CA LEU A 44 -0.155 -1.867 0.677 1.00 0.00 C ATOM 605 C LEU A 44 -1.437 -1.065 0.474 1.00 0.00 C ATOM 606 O LEU A 44 -1.582 -0.349 -0.516 1.00 0.00 O ATOM 607 CB LEU A 44 1.062 -0.959 0.499 1.00 0.00 C ATOM 608 CG LEU A 44 2.411 -1.681 0.476 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.504 -0.755 -0.035 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.757 -2.202 1.863 1.00 0.00 C ATOM 0 H LEU A 44 -0.407 -2.773 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.155 -2.268 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.949 -0.403 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.072 -0.228 1.307 1.00 0.00 H new ATOM 0 HG LEU A 44 2.337 -2.530 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.456 -1.286 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.261 -0.428 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.580 0.114 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.719 -2.713 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.813 -1.367 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.987 -2.900 2.192 1.00 0.00 H new ATOM 622 N GLY A 45 -2.364 -1.193 1.417 1.00 0.00 N ATOM 623 CA GLY A 45 -3.621 -0.474 1.323 1.00 0.00 C ATOM 624 C GLY A 45 -3.430 1.030 1.308 1.00 0.00 C ATOM 625 O GLY A 45 -3.275 1.653 2.357 1.00 0.00 O ATOM 0 H GLY A 45 -2.268 -1.782 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.144 -0.780 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.256 -0.748 2.165 1.00 0.00 H new ATOM 629 N LEU A 46 -3.439 1.613 0.114 1.00 0.00 N ATOM 630 CA LEU A 46 -3.265 3.053 -0.034 1.00 0.00 C ATOM 631 C LEU A 46 -4.612 3.768 -0.029 1.00 0.00 C ATOM 632 O LEU A 46 -5.646 3.166 -0.317 1.00 0.00 O ATOM 633 CB LEU A 46 -2.512 3.368 -1.329 1.00 0.00 C ATOM 634 CG LEU A 46 -1.056 2.904 -1.361 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.439 3.176 -2.723 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.255 3.591 -0.264 1.00 0.00 C ATOM 0 H LEU A 46 -3.565 1.111 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.681 3.411 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.043 2.906 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.538 4.445 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.033 1.829 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.598 2.839 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.998 2.639 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.474 4.245 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.779 3.250 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.286 4.670 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.684 3.346 0.708 1.00 0.00 H new ATOM 648 N GLU A 47 -4.592 5.056 0.301 1.00 0.00 N ATOM 649 CA GLU A 47 -5.812 5.853 0.344 1.00 0.00 C ATOM 650 C GLU A 47 -5.545 7.283 -0.116 1.00 0.00 C ATOM 651 O GLU A 47 -4.786 8.017 0.516 1.00 0.00 O ATOM 652 CB GLU A 47 -6.392 5.861 1.760 1.00 0.00 C ATOM 653 CG GLU A 47 -7.910 5.901 1.794 1.00 0.00 C ATOM 654 CD GLU A 47 -8.449 6.480 3.087 1.00 0.00 C ATOM 655 OE1 GLU A 47 -8.559 5.725 4.077 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.762 7.690 3.111 1.00 0.00 O ATOM 0 H GLU A 47 -3.744 5.569 0.542 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.535 5.401 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.048 4.973 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.002 6.724 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.273 6.495 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.299 4.892 1.662 1.00 0.00 H new ATOM 663 N LEU A 48 -6.173 7.670 -1.221 1.00 0.00 N ATOM 664 CA LEU A 48 -6.003 9.012 -1.766 1.00 0.00 C ATOM 665 C LEU A 48 -7.095 9.948 -1.257 1.00 0.00 C ATOM 666 O LEU A 48 -8.095 9.503 -0.694 1.00 0.00 O ATOM 667 CB LEU A 48 -6.023 8.970 -3.295 1.00 0.00 C ATOM 668 CG LEU A 48 -4.964 8.071 -3.932 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.390 7.654 -5.332 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.618 8.778 -3.970 1.00 0.00 C ATOM 0 H LEU A 48 -6.804 7.074 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.038 9.393 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.007 8.633 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.892 9.984 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.863 7.173 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.624 7.014 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.332 7.108 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.520 8.541 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.876 8.123 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.704 9.693 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.308 9.025 -2.955 1.00 0.00 H new ATOM 682 N ARG A 49 -6.895 11.246 -1.459 1.00 0.00 N ATOM 683 CA ARG A 49 -7.862 12.246 -1.022 1.00 0.00 C ATOM 684 C ARG A 49 -8.759 12.677 -2.178 1.00 0.00 C ATOM 685 O ARG A 49 -9.148 13.841 -2.273 1.00 0.00 O ATOM 686 CB ARG A 49 -7.143 13.462 -0.438 1.00 0.00 C ATOM 687 CG ARG A 49 -8.020 14.312 0.467 1.00 0.00 C ATOM 688 CD ARG A 49 -7.268 14.770 1.707 1.00 0.00 C ATOM 689 NE ARG A 49 -7.657 16.117 2.117 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.410 16.626 3.322 1.00 0.00 C ATOM 691 NH1 ARG A 49 -6.776 15.903 4.237 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.797 17.861 3.612 1.00 0.00 N ATOM 0 H ARG A 49 -6.072 11.630 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.486 11.797 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.274 13.123 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.771 14.081 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.377 15.182 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.899 13.740 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.458 14.074 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.196 14.746 1.510 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.147 16.702 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.476 14.953 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.589 16.297 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.284 18.421 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.608 18.251 4.535 1.00 0.00 H new ATOM 706 N SER A 50 -9.082 11.731 -3.054 1.00 0.00 N ATOM 707 CA SER A 50 -9.934 12.014 -4.204 1.00 0.00 C ATOM 708 C SER A 50 -10.229 10.739 -4.988 1.00 0.00 C ATOM 709 O SER A 50 -9.689 9.675 -4.688 1.00 0.00 O ATOM 710 CB SER A 50 -9.266 13.044 -5.118 1.00 0.00 C ATOM 711 OG SER A 50 -10.136 13.438 -6.165 1.00 0.00 O ATOM 0 H SER A 50 -8.767 10.763 -2.990 1.00 0.00 H new ATOM 0 HA SER A 50 -10.876 12.420 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.975 13.918 -4.535 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.353 12.623 -5.539 1.00 0.00 H new ATOM 0 HG SER A 50 -9.686 14.097 -6.733 1.00 0.00 H new ATOM 717 N ALA A 51 -11.092 10.855 -5.993 1.00 0.00 N ATOM 718 CA ALA A 51 -11.460 9.712 -6.819 1.00 0.00 C ATOM 719 C ALA A 51 -10.460 9.509 -7.952 1.00 0.00 C ATOM 720 O ALA A 51 -10.656 10.001 -9.062 1.00 0.00 O ATOM 721 CB ALA A 51 -12.862 9.896 -7.379 1.00 0.00 C ATOM 0 H ALA A 51 -11.549 11.729 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.444 8.821 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.124 9.035 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.573 9.985 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.895 10.800 -7.987 1.00 0.00 H new ATOM 727 N LYS A 52 -9.386 8.781 -7.663 1.00 0.00 N ATOM 728 CA LYS A 52 -8.355 8.512 -8.657 1.00 0.00 C ATOM 729 C LYS A 52 -7.790 7.106 -8.492 1.00 0.00 C ATOM 730 O LYS A 52 -6.598 6.876 -8.694 1.00 0.00 O ATOM 731 CB LYS A 52 -7.229 9.544 -8.547 1.00 0.00 C ATOM 732 CG LYS A 52 -7.701 10.978 -8.725 1.00 0.00 C ATOM 733 CD LYS A 52 -6.697 11.803 -9.517 1.00 0.00 C ATOM 734 CE LYS A 52 -7.383 12.634 -10.589 1.00 0.00 C ATOM 735 NZ LYS A 52 -6.667 13.915 -10.842 1.00 0.00 N ATOM 0 H LYS A 52 -9.208 8.367 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.811 8.585 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.751 9.446 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.470 9.324 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.663 10.984 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.858 11.434 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.150 12.460 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.965 11.141 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.437 12.060 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.408 12.845 -10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.167 14.452 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.637 14.475 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.697 13.714 -11.158 1.00 0.00 H new ATOM 749 N GLY A 53 -8.654 6.166 -8.121 1.00 0.00 N ATOM 750 CA GLY A 53 -8.223 4.794 -7.934 1.00 0.00 C ATOM 751 C GLY A 53 -9.196 3.793 -8.526 1.00 0.00 C ATOM 752 O GLY A 53 -9.993 4.134 -9.400 1.00 0.00 O ATOM 0 H GLY A 53 -9.645 6.331 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.244 4.659 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.106 4.595 -6.869 1.00 0.00 H new ATOM 756 N LYS A 54 -9.132 2.555 -8.048 1.00 0.00 N ATOM 757 CA LYS A 54 -10.015 1.501 -8.534 1.00 0.00 C ATOM 758 C LYS A 54 -10.449 0.587 -7.392 1.00 0.00 C ATOM 759 O LYS A 54 -10.692 -0.603 -7.593 1.00 0.00 O ATOM 760 CB LYS A 54 -9.315 0.684 -9.623 1.00 0.00 C ATOM 761 CG LYS A 54 -9.683 1.111 -11.035 1.00 0.00 C ATOM 762 CD LYS A 54 -9.229 0.088 -12.062 1.00 0.00 C ATOM 763 CE LYS A 54 -7.734 0.185 -12.322 1.00 0.00 C ATOM 764 NZ LYS A 54 -7.303 -0.703 -13.437 1.00 0.00 N ATOM 0 H LYS A 54 -8.478 2.257 -7.324 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.904 1.969 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.236 0.773 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.566 -0.369 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.762 1.245 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.227 2.076 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.474 -0.915 -11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.772 0.241 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.473 1.217 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.190 -0.081 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.278 -0.606 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.528 -1.691 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.802 -0.433 -14.309 1.00 0.00 H new ATOM 778 N ASN A 55 -10.546 1.152 -6.193 1.00 0.00 N ATOM 779 CA ASN A 55 -10.952 0.388 -5.018 1.00 0.00 C ATOM 780 C ASN A 55 -11.999 1.147 -4.210 1.00 0.00 C ATOM 781 O ASN A 55 -12.073 2.374 -4.270 1.00 0.00 O ATOM 782 CB ASN A 55 -9.738 0.080 -4.141 1.00 0.00 C ATOM 783 CG ASN A 55 -8.747 -0.840 -4.827 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.110 -1.610 -5.716 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.486 -0.764 -4.416 1.00 0.00 N ATOM 0 H ASN A 55 -10.349 2.136 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.393 -0.549 -5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.240 1.012 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.072 -0.380 -3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.774 -1.359 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.229 -0.111 -3.676 1.00 0.00 H new ATOM 792 N ASP A 56 -12.806 0.409 -3.454 1.00 0.00 N ATOM 793 CA ASP A 56 -13.849 1.013 -2.634 1.00 0.00 C ATOM 794 C ASP A 56 -13.515 0.890 -1.151 1.00 0.00 C ATOM 795 O ASP A 56 -14.406 0.754 -0.312 1.00 0.00 O ATOM 796 CB ASP A 56 -15.200 0.353 -2.921 1.00 0.00 C ATOM 797 CG ASP A 56 -15.195 -1.131 -2.614 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.176 -1.794 -2.905 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.208 -1.632 -2.084 1.00 0.00 O ATOM 0 H ASP A 56 -12.757 -0.608 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.908 2.071 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.973 0.841 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.460 0.504 -3.969 1.00 0.00 H new ATOM 804 N GLY A 57 -12.226 0.938 -0.835 1.00 0.00 N ATOM 805 CA GLY A 57 -11.797 0.831 0.547 1.00 0.00 C ATOM 806 C GLY A 57 -11.362 -0.575 0.912 1.00 0.00 C ATOM 807 O GLY A 57 -10.335 -0.765 1.565 1.00 0.00 O ATOM 0 H GLY A 57 -11.470 1.049 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.971 1.521 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.613 1.137 1.202 1.00 0.00 H new ATOM 811 N ALA A 58 -12.145 -1.563 0.492 1.00 0.00 N ATOM 812 CA ALA A 58 -11.835 -2.958 0.778 1.00 0.00 C ATOM 813 C ALA A 58 -12.057 -3.833 -0.451 1.00 0.00 C ATOM 814 O ALA A 58 -12.825 -3.481 -1.346 1.00 0.00 O ATOM 815 CB ALA A 58 -12.677 -3.458 1.942 1.00 0.00 C ATOM 0 H ALA A 58 -12.999 -1.423 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.782 -3.021 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.435 -4.501 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.466 -2.858 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.734 -3.373 1.689 1.00 0.00 H new ATOM 821 N VAL A 59 -11.378 -4.975 -0.489 1.00 0.00 N ATOM 822 CA VAL A 59 -11.501 -5.900 -1.609 1.00 0.00 C ATOM 823 C VAL A 59 -11.664 -7.335 -1.122 1.00 0.00 C ATOM 824 O VAL A 59 -10.754 -7.904 -0.518 1.00 0.00 O ATOM 825 CB VAL A 59 -10.275 -5.824 -2.540 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.511 -6.637 -3.803 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.953 -4.376 -2.880 1.00 0.00 C ATOM 0 H VAL A 59 -10.737 -5.282 0.243 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.390 -5.604 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.418 -6.250 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.634 -6.571 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.688 -7.679 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.380 -6.245 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.085 -4.341 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.807 -3.922 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.736 -3.827 -1.964 1.00 0.00 H new ATOM 837 N GLY A 60 -12.830 -7.917 -1.387 1.00 0.00 N ATOM 838 CA GLY A 60 -13.090 -9.282 -0.967 1.00 0.00 C ATOM 839 C GLY A 60 -13.456 -9.377 0.500 1.00 0.00 C ATOM 840 O GLY A 60 -14.317 -8.640 0.982 1.00 0.00 O ATOM 0 H GLY A 60 -13.599 -7.468 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.900 -9.696 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.207 -9.892 -1.158 1.00 0.00 H new ATOM 844 N ASP A 61 -12.800 -10.287 1.214 1.00 0.00 N ATOM 845 CA ASP A 61 -13.062 -10.476 2.636 1.00 0.00 C ATOM 846 C ASP A 61 -11.917 -9.921 3.479 1.00 0.00 C ATOM 847 O ASP A 61 -11.641 -10.416 4.572 1.00 0.00 O ATOM 848 CB ASP A 61 -13.266 -11.961 2.945 1.00 0.00 C ATOM 849 CG ASP A 61 -14.726 -12.365 2.896 1.00 0.00 C ATOM 850 OD1 ASP A 61 -15.550 -11.694 3.551 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.045 -13.355 2.204 1.00 0.00 O ATOM 0 H ASP A 61 -12.084 -10.904 0.831 1.00 0.00 H new ATOM 0 HA ASP A 61 -13.972 -9.931 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.702 -12.559 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.863 -12.183 3.933 1.00 0.00 H new ATOM 856 N LYS A 62 -11.254 -8.890 2.965 1.00 0.00 N ATOM 857 CA LYS A 62 -10.140 -8.268 3.671 1.00 0.00 C ATOM 858 C LYS A 62 -10.208 -6.748 3.562 1.00 0.00 C ATOM 859 O LYS A 62 -10.350 -6.200 2.469 1.00 0.00 O ATOM 860 CB LYS A 62 -8.809 -8.773 3.110 1.00 0.00 C ATOM 861 CG LYS A 62 -7.698 -8.835 4.146 1.00 0.00 C ATOM 862 CD LYS A 62 -6.812 -10.054 3.945 1.00 0.00 C ATOM 863 CE LYS A 62 -7.102 -11.132 4.977 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.439 -12.420 4.636 1.00 0.00 N ATOM 0 H LYS A 62 -11.469 -8.468 2.062 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.210 -8.542 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.956 -9.767 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.497 -8.122 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.093 -7.931 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.133 -8.861 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.967 -10.456 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.765 -9.758 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.762 -10.797 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.179 -11.286 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.444 -13.044 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.952 -12.879 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.457 -12.239 4.345 1.00 0.00 H new ATOM 878 N ARG A 63 -10.105 -6.073 4.702 1.00 0.00 N ATOM 879 CA ARG A 63 -10.155 -4.616 4.733 1.00 0.00 C ATOM 880 C ARG A 63 -8.750 -4.023 4.753 1.00 0.00 C ATOM 881 O ARG A 63 -7.908 -4.421 5.557 1.00 0.00 O ATOM 882 CB ARG A 63 -10.945 -4.137 5.954 1.00 0.00 C ATOM 883 CG ARG A 63 -12.293 -3.529 5.603 1.00 0.00 C ATOM 884 CD ARG A 63 -13.369 -4.594 5.459 1.00 0.00 C ATOM 885 NE ARG A 63 -14.503 -4.352 6.346 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.467 -3.469 6.093 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.437 -2.744 4.982 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.464 -3.313 6.953 1.00 0.00 N ATOM 0 H ARG A 63 -9.987 -6.511 5.616 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.659 -4.275 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.100 -4.978 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.352 -3.399 6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.585 -2.819 6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.208 -2.969 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.716 -4.621 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.941 -5.573 5.677 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.560 -4.891 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.673 -2.862 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.178 -2.069 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.492 -3.869 7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.203 -2.637 6.760 1.00 0.00 H new ATOM 902 N TYR A 64 -8.505 -3.070 3.860 1.00 0.00 N ATOM 903 CA TYR A 64 -7.201 -2.420 3.772 1.00 0.00 C ATOM 904 C TYR A 64 -7.293 -0.954 4.180 1.00 0.00 C ATOM 905 O TYR A 64 -6.342 -0.389 4.719 1.00 0.00 O ATOM 906 CB TYR A 64 -6.648 -2.533 2.350 1.00 0.00 C ATOM 907 CG TYR A 64 -6.643 -3.946 1.811 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.807 -4.912 2.355 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.474 -4.312 0.761 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.798 -6.205 1.866 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.472 -5.603 0.266 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.632 -6.545 0.822 1.00 0.00 C ATOM 913 OH TYR A 64 -6.628 -7.831 0.332 1.00 0.00 O ATOM 0 H TYR A 64 -9.192 -2.730 3.187 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.524 -2.926 4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.241 -1.903 1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.630 -2.143 2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.153 -4.649 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.133 -3.576 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.141 -6.945 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.125 -5.872 -0.551 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.888 -7.822 -0.613 1.00 0.00 H new ATOM 923 N PHE A 65 -8.444 -0.342 3.920 1.00 0.00 N ATOM 924 CA PHE A 65 -8.658 1.060 4.261 1.00 0.00 C ATOM 925 C PHE A 65 -10.117 1.453 4.058 1.00 0.00 C ATOM 926 O PHE A 65 -10.941 0.633 3.654 1.00 0.00 O ATOM 927 CB PHE A 65 -7.754 1.957 3.414 1.00 0.00 C ATOM 928 CG PHE A 65 -7.764 1.608 1.952 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.927 0.622 1.456 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.610 2.268 1.075 1.00 0.00 C ATOM 931 CE1 PHE A 65 -6.933 0.300 0.112 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.621 1.951 -0.270 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.782 0.965 -0.752 1.00 0.00 C ATOM 0 H PHE A 65 -9.242 -0.795 3.475 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.407 1.194 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.069 2.994 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.733 1.888 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.262 0.099 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.268 3.039 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.275 -0.470 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.285 2.473 -0.943 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.790 0.714 -1.802 1.00 0.00 H new ATOM 943 N THR A 66 -10.431 2.713 4.343 1.00 0.00 N ATOM 944 CA THR A 66 -11.792 3.215 4.192 1.00 0.00 C ATOM 945 C THR A 66 -11.798 4.563 3.477 1.00 0.00 C ATOM 946 O THR A 66 -11.219 5.536 3.961 1.00 0.00 O ATOM 947 CB THR A 66 -12.463 3.348 5.560 1.00 0.00 C ATOM 948 OG1 THR A 66 -13.747 3.934 5.434 1.00 0.00 O ATOM 949 CG2 THR A 66 -11.670 4.187 6.537 1.00 0.00 C ATOM 0 H THR A 66 -9.761 3.405 4.680 1.00 0.00 H new ATOM 0 HA THR A 66 -12.352 2.501 3.588 1.00 0.00 H new ATOM 0 HB THR A 66 -12.529 2.332 5.949 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.161 4.009 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.202 4.240 7.487 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.691 3.734 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.544 5.192 6.135 1.00 0.00 H new ATOM 957 N CYS A 67 -12.455 4.612 2.323 1.00 0.00 N ATOM 958 CA CYS A 67 -12.536 5.841 1.542 1.00 0.00 C ATOM 959 C CYS A 67 -13.683 5.772 0.538 1.00 0.00 C ATOM 960 O CYS A 67 -14.322 4.732 0.381 1.00 0.00 O ATOM 961 CB CYS A 67 -11.217 6.092 0.809 1.00 0.00 C ATOM 962 SG CYS A 67 -10.687 4.725 -0.248 1.00 0.00 S ATOM 0 H CYS A 67 -12.939 3.816 1.908 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.725 6.666 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.318 6.990 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.438 6.292 1.544 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.725 4.073 0.335 1.00 0.00 H new ATOM 968 N LYS A 68 -13.940 6.888 -0.138 1.00 0.00 N ATOM 969 CA LYS A 68 -15.010 6.954 -1.125 1.00 0.00 C ATOM 970 C LYS A 68 -14.763 5.968 -2.264 1.00 0.00 C ATOM 971 O LYS A 68 -13.670 5.417 -2.394 1.00 0.00 O ATOM 972 CB LYS A 68 -15.131 8.374 -1.682 1.00 0.00 C ATOM 973 CG LYS A 68 -16.134 9.239 -0.934 1.00 0.00 C ATOM 974 CD LYS A 68 -15.440 10.247 -0.029 1.00 0.00 C ATOM 975 CE LYS A 68 -16.044 11.635 -0.174 1.00 0.00 C ATOM 976 NZ LYS A 68 -15.017 12.704 -0.032 1.00 0.00 N ATOM 0 H LYS A 68 -13.421 7.758 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.943 6.683 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.153 8.854 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.422 8.320 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.766 9.766 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.789 8.604 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.519 9.921 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.378 10.284 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.526 11.721 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.820 11.774 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.468 13.635 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.574 12.638 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.290 12.587 -0.766 1.00 0.00 H new ATOM 990 N PRO A 69 -15.781 5.730 -3.109 1.00 0.00 N ATOM 991 CA PRO A 69 -15.670 4.804 -4.242 1.00 0.00 C ATOM 992 C PRO A 69 -14.563 5.206 -5.210 1.00 0.00 C ATOM 993 O PRO A 69 -14.547 6.327 -5.720 1.00 0.00 O ATOM 994 CB PRO A 69 -17.038 4.900 -4.927 1.00 0.00 C ATOM 995 CG PRO A 69 -17.957 5.440 -3.886 1.00 0.00 C ATOM 996 CD PRO A 69 -17.118 6.342 -3.027 1.00 0.00 C ATOM 0 HA PRO A 69 -15.415 3.796 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.998 5.556 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.372 3.924 -5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.782 5.989 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.396 4.635 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.116 7.366 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.484 6.376 -2.001 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.641 4.283 -5.463 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.530 4.539 -6.373 1.00 0.00 C ATOM 1006 C ASN A 70 -11.656 5.683 -5.864 1.00 0.00 C ATOM 1007 O ASN A 70 -11.363 6.628 -6.596 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.057 4.864 -7.773 1.00 0.00 C ATOM 1009 CG ASN A 70 -14.014 3.810 -8.290 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -15.075 3.579 -7.710 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.644 3.161 -9.388 1.00 0.00 N ATOM 0 H ASN A 70 -13.641 3.350 -5.050 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.918 3.638 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.561 5.830 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.217 4.957 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.248 2.440 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.756 3.384 -9.837 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.241 5.587 -4.605 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.397 6.612 -3.999 1.00 0.00 C ATOM 1020 C TYR A 71 -9.002 6.065 -3.713 1.00 0.00 C ATOM 1021 O TYR A 71 -7.998 6.674 -4.081 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.031 7.128 -2.706 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.893 8.355 -2.901 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.887 8.382 -3.871 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.712 9.487 -2.115 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.676 9.502 -4.053 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.498 10.610 -2.291 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.478 10.613 -3.260 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.262 11.730 -3.438 1.00 0.00 O ATOM 0 H TYR A 71 -11.475 4.811 -3.985 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.308 7.438 -4.704 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.636 6.335 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.241 7.359 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.046 7.514 -4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.945 9.489 -1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.444 9.507 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.345 11.482 -1.672 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.994 12.423 -2.799 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.949 4.912 -3.055 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.673 4.301 -2.732 1.00 0.00 C ATOM 1041 C GLY A 72 -7.240 3.283 -3.768 1.00 0.00 C ATOM 1042 O GLY A 72 -8.006 2.938 -4.667 1.00 0.00 O ATOM 0 H GLY A 72 -9.766 4.390 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.912 5.077 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.741 3.817 -1.758 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.007 2.801 -3.642 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.474 1.817 -4.575 1.00 0.00 C ATOM 1048 C VAL A 73 -4.587 0.803 -3.860 1.00 0.00 C ATOM 1049 O VAL A 73 -4.143 1.037 -2.737 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.662 2.490 -5.698 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.577 3.279 -6.621 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.582 3.387 -5.110 1.00 0.00 C ATOM 0 H VAL A 73 -5.360 3.076 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.329 1.302 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.176 1.712 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.985 3.747 -7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.309 2.607 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.094 4.050 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.018 3.854 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.045 4.160 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.908 2.790 -4.495 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.333 -0.322 -4.520 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.497 -1.371 -3.948 1.00 0.00 C ATOM 1064 C LEU A 74 -2.259 -1.608 -4.806 1.00 0.00 C ATOM 1065 O LEU A 74 -2.364 -1.962 -5.980 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.297 -2.670 -3.811 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.952 -2.887 -2.447 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.002 -3.983 -2.527 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -3.902 -3.227 -1.400 1.00 0.00 C ATOM 0 H LEU A 74 -4.694 -0.531 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.173 -1.046 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.074 -2.683 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.634 -3.510 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.445 -1.961 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.457 -4.123 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.770 -3.699 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.533 -4.914 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.386 -3.378 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.380 -4.139 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.187 -2.408 -1.323 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.087 -1.410 -4.212 1.00 0.00 N ATOM 1082 CA VAL A 75 0.171 -1.600 -4.923 1.00 0.00 C ATOM 1083 C VAL A 75 1.204 -2.288 -4.038 1.00 0.00 C ATOM 1084 O VAL A 75 1.032 -2.384 -2.823 1.00 0.00 O ATOM 1085 CB VAL A 75 0.748 -0.261 -5.420 1.00 0.00 C ATOM 1086 CG1 VAL A 75 0.018 0.205 -6.670 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.673 0.793 -4.325 1.00 0.00 C ATOM 0 H VAL A 75 -0.983 -1.118 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.047 -2.233 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 75 1.797 -0.412 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.440 1.152 -7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.130 -0.541 -7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.040 0.339 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.085 1.732 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.367 0.943 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.247 0.461 -3.460 1.00 0.00 H new ATOM 1097 N ARG A 76 2.279 -2.767 -4.656 1.00 0.00 N ATOM 1098 CA ARG A 76 3.342 -3.450 -3.925 1.00 0.00 C ATOM 1099 C ARG A 76 4.512 -2.509 -3.647 1.00 0.00 C ATOM 1100 O ARG A 76 4.748 -1.560 -4.394 1.00 0.00 O ATOM 1101 CB ARG A 76 3.830 -4.666 -4.714 1.00 0.00 C ATOM 1102 CG ARG A 76 2.706 -5.548 -5.233 1.00 0.00 C ATOM 1103 CD ARG A 76 3.192 -6.959 -5.526 1.00 0.00 C ATOM 1104 NE ARG A 76 3.299 -7.216 -6.960 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.335 -6.839 -7.707 1.00 0.00 C ATOM 1106 NH1 ARG A 76 5.355 -6.187 -7.161 1.00 0.00 N ATOM 1107 NH2 ARG A 76 4.352 -7.116 -9.004 1.00 0.00 N ATOM 0 H ARG A 76 2.438 -2.695 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 76 2.933 -3.781 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.431 -4.324 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.484 -5.262 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.902 -5.585 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.289 -5.111 -6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.164 -7.112 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.506 -7.679 -5.079 1.00 0.00 H new ATOM 0 HE ARG A 76 2.535 -7.714 -7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.348 -5.972 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.145 -5.901 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.572 -7.617 -9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.145 -6.828 -9.577 1.00 0.00 H new ATOM 1121 N PRO A 77 5.266 -2.763 -2.560 1.00 0.00 N ATOM 1122 CA PRO A 77 6.417 -1.938 -2.192 1.00 0.00 C ATOM 1123 C PRO A 77 7.296 -1.648 -3.398 1.00 0.00 C ATOM 1124 O PRO A 77 7.536 -0.494 -3.750 1.00 0.00 O ATOM 1125 CB PRO A 77 7.158 -2.808 -1.178 1.00 0.00 C ATOM 1126 CG PRO A 77 6.089 -3.629 -0.544 1.00 0.00 C ATOM 1127 CD PRO A 77 5.057 -3.876 -1.613 1.00 0.00 C ATOM 0 HA PRO A 77 6.131 -0.963 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.906 -3.435 -1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.682 -2.200 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.492 -4.569 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.651 -3.107 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.201 -4.844 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.047 -3.870 -1.204 1.00 0.00 H new ATOM 1135 N SER A 78 7.755 -2.719 -4.042 1.00 0.00 N ATOM 1136 CA SER A 78 8.585 -2.594 -5.229 1.00 0.00 C ATOM 1137 C SER A 78 7.856 -1.770 -6.281 1.00 0.00 C ATOM 1138 O SER A 78 8.480 -1.162 -7.152 1.00 0.00 O ATOM 1139 CB SER A 78 8.930 -3.975 -5.788 1.00 0.00 C ATOM 1140 OG SER A 78 10.256 -4.005 -6.290 1.00 0.00 O ATOM 0 H SER A 78 7.564 -3.680 -3.759 1.00 0.00 H new ATOM 0 HA SER A 78 9.513 -2.090 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.817 -4.726 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.231 -4.234 -6.583 1.00 0.00 H new ATOM 0 HG SER A 78 10.453 -4.899 -6.640 1.00 0.00 H new ATOM 1146 N ARG A 79 6.527 -1.739 -6.181 1.00 0.00 N ATOM 1147 CA ARG A 79 5.715 -0.971 -7.111 1.00 0.00 C ATOM 1148 C ARG A 79 5.569 0.469 -6.627 1.00 0.00 C ATOM 1149 O ARG A 79 5.108 1.336 -7.370 1.00 0.00 O ATOM 1150 CB ARG A 79 4.337 -1.616 -7.277 1.00 0.00 C ATOM 1151 CG ARG A 79 4.250 -2.575 -8.452 1.00 0.00 C ATOM 1152 CD ARG A 79 4.016 -1.838 -9.761 1.00 0.00 C ATOM 1153 NE ARG A 79 2.948 -2.448 -10.549 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.353 -1.852 -11.579 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.720 -0.631 -11.951 1.00 0.00 N ATOM 1156 NH2 ARG A 79 1.389 -2.477 -12.240 1.00 0.00 N ATOM 0 H ARG A 79 5.996 -2.237 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 79 6.215 -0.964 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.084 -2.152 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.591 -0.831 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.172 -3.153 -8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.440 -3.285 -8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.764 -0.798 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.938 -1.831 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 79 2.640 -3.387 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.462 -0.145 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.260 -0.179 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.103 -3.415 -11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.933 -2.020 -13.030 1.00 0.00 H new ATOM 1170 N VAL A 80 5.966 0.724 -5.378 1.00 0.00 N ATOM 1171 CA VAL A 80 5.875 2.068 -4.815 1.00 0.00 C ATOM 1172 C VAL A 80 7.241 2.571 -4.363 1.00 0.00 C ATOM 1173 O VAL A 80 8.212 1.816 -4.328 1.00 0.00 O ATOM 1174 CB VAL A 80 4.899 2.119 -3.624 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.486 1.783 -4.076 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.350 1.176 -2.519 1.00 0.00 C ATOM 0 H VAL A 80 6.350 0.023 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 80 5.498 2.714 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 80 4.898 3.133 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.811 1.824 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.164 2.503 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.469 0.780 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.647 1.227 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.385 0.156 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.342 1.468 -2.174 1.00 0.00 H new ATOM 1186 N THR A 81 7.310 3.853 -4.021 1.00 0.00 N ATOM 1187 CA THR A 81 8.559 4.460 -3.573 1.00 0.00 C ATOM 1188 C THR A 81 8.300 5.514 -2.504 1.00 0.00 C ATOM 1189 O THR A 81 7.161 5.929 -2.288 1.00 0.00 O ATOM 1190 CB THR A 81 9.298 5.087 -4.756 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.381 5.599 -5.706 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.210 4.117 -5.475 1.00 0.00 C ATOM 0 H THR A 81 6.516 4.492 -4.045 1.00 0.00 H new ATOM 0 HA THR A 81 9.180 3.676 -3.140 1.00 0.00 H new ATOM 0 HB THR A 81 9.907 5.882 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.530 5.800 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.703 4.627 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.962 3.742 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.623 3.283 -5.860 1.00 0.00 H new