USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 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 7 SER OG : rot 30:sc= 0.0142 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -30:sc= 1.02 USER MOD Single : A 19 SER OG : rot 64:sc= 1.32 USER MOD Single : A 20 MET CE :methyl 168:sc=-0.00997 (180deg=-0.238) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -150:sc= -0.551 USER MOD Single : A 30 MET CE :methyl -114:sc= -0.995 (180deg=-4.75!) USER MOD Single : A 41 GLN : amide:sc= 0.411 X(o=0.41,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.293 K(o=-0.29,f=-6!) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc=-0.00402 (180deg=-0.122) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 47 GLN : amide:sc= -5.02! K(o=-5!,f=-0.51) USER MOD Single : A 49 SER OG : rot -94:sc= 1.23 USER MOD Single : A 51 CYS SG : rot -8:sc= -1.7! USER MOD Single : A 52 LYS NZ :NH3+ 171:sc=-0.00771 (180deg=-0.119) USER MOD Single : A 54 GLN : amide:sc= -1.5! X(o=-1.5!,f=-1) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -122:sc= 0.688 USER MOD Single : A 66 SER OG : rot 180:sc= -1.63! USER MOD Single : A 68 SER OG : rot -39:sc= 1.04 USER MOD Single : A 70 THR OG1 : rot -175:sc= -1.12 USER MOD Single : A 75 SER OG : rot -83:sc= 0.109 USER MOD Single : A 77 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.0092) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0943) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -129:sc= -0.171 (180deg=-0.77) USER MOD Single : A 82 MET CE :methyl 171:sc= 0 (180deg=-0.0489) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.644 4.003 1.109 1.00 0.00 N ATOM 32 CA SER A 7 13.424 3.461 -0.224 1.00 0.00 C ATOM 33 C SER A 7 13.708 1.956 -0.276 1.00 0.00 C ATOM 34 O SER A 7 13.726 1.284 0.759 1.00 0.00 O ATOM 35 CB SER A 7 14.269 4.217 -1.252 1.00 0.00 C ATOM 36 OG SER A 7 13.837 5.564 -1.369 1.00 0.00 O ATOM 0 HA SER A 7 12.372 3.598 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.318 4.191 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.199 3.723 -2.221 1.00 0.00 H new ATOM 0 HG SER A 7 13.461 5.862 -0.515 1.00 0.00 H new ATOM 42 N GLN A 8 13.888 1.438 -1.485 1.00 0.00 N ATOM 43 CA GLN A 8 14.101 0.011 -1.705 1.00 0.00 C ATOM 44 C GLN A 8 15.334 -0.512 -0.983 1.00 0.00 C ATOM 45 O GLN A 8 16.406 0.097 -1.011 1.00 0.00 O ATOM 46 CB GLN A 8 14.243 -0.287 -3.195 1.00 0.00 C ATOM 47 CG GLN A 8 13.080 0.213 -4.023 1.00 0.00 C ATOM 48 CD GLN A 8 13.159 -0.210 -5.471 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.244 -0.409 -6.022 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.006 -0.327 -6.107 1.00 0.00 N ATOM 0 H GLN A 8 13.891 1.994 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 8 13.226 -0.496 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.163 0.168 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.342 -1.363 -3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.150 -0.157 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.045 1.301 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.131 -0.153 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.991 -0.591 -7.092 1.00 0.00 H new ATOM 59 N LEU A 9 15.157 -1.646 -0.330 1.00 0.00 N ATOM 60 CA LEU A 9 16.252 -2.386 0.262 1.00 0.00 C ATOM 61 C LEU A 9 16.306 -3.771 -0.363 1.00 0.00 C ATOM 62 O LEU A 9 15.269 -4.331 -0.718 1.00 0.00 O ATOM 63 CB LEU A 9 16.064 -2.505 1.777 1.00 0.00 C ATOM 64 CG LEU A 9 15.937 -1.177 2.529 1.00 0.00 C ATOM 65 CD1 LEU A 9 15.616 -1.420 3.995 1.00 0.00 C ATOM 66 CD2 LEU A 9 17.217 -0.364 2.392 1.00 0.00 C ATOM 0 H LEU A 9 14.244 -2.080 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 9 17.186 -1.857 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.171 -3.099 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.909 -3.057 2.189 1.00 0.00 H new ATOM 0 HG LEU A 9 15.117 -0.610 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.530 -0.464 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.674 -1.963 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.414 -2.008 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.110 0.577 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.052 -0.928 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.406 -0.158 1.338 1.00 0.00 H new ATOM 78 N GLY A 10 17.502 -4.309 -0.525 1.00 0.00 N ATOM 79 CA GLY A 10 17.641 -5.657 -1.044 1.00 0.00 C ATOM 80 C GLY A 10 18.705 -6.449 -0.313 1.00 0.00 C ATOM 81 O GLY A 10 19.734 -6.788 -0.895 1.00 0.00 O ATOM 0 H GLY A 10 18.381 -3.839 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.686 -6.175 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.890 -5.612 -2.104 1.00 0.00 H new ATOM 85 N PRO A 11 18.487 -6.762 0.977 1.00 0.00 N ATOM 86 CA PRO A 11 19.463 -7.483 1.794 1.00 0.00 C ATOM 87 C PRO A 11 19.534 -8.962 1.431 1.00 0.00 C ATOM 88 O PRO A 11 20.614 -9.507 1.204 1.00 0.00 O ATOM 89 CB PRO A 11 18.944 -7.307 3.231 1.00 0.00 C ATOM 90 CG PRO A 11 17.817 -6.329 3.144 1.00 0.00 C ATOM 91 CD PRO A 11 17.282 -6.439 1.748 1.00 0.00 C ATOM 0 HA PRO A 11 20.473 -7.100 1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.605 -8.258 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.731 -6.938 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.044 -6.558 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.162 -5.316 3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.524 -7.218 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.822 -5.509 1.414 1.00 0.00 H new ATOM 99 N ILE A 12 18.377 -9.605 1.365 1.00 0.00 N ATOM 100 CA ILE A 12 18.308 -11.029 1.072 1.00 0.00 C ATOM 101 C ILE A 12 17.543 -11.279 -0.223 1.00 0.00 C ATOM 102 O ILE A 12 16.836 -10.403 -0.721 1.00 0.00 O ATOM 103 CB ILE A 12 17.655 -11.811 2.230 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.295 -11.208 2.592 1.00 0.00 C ATOM 105 CG2 ILE A 12 18.578 -11.830 3.442 1.00 0.00 C ATOM 106 CD1 ILE A 12 15.603 -11.919 3.733 1.00 0.00 C ATOM 0 H ILE A 12 17.470 -9.161 1.511 1.00 0.00 H new ATOM 0 HA ILE A 12 19.331 -11.387 0.952 1.00 0.00 H new ATOM 0 HB ILE A 12 17.492 -12.839 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 12 16.431 -10.159 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.650 -11.234 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.104 -12.385 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 12 19.519 -12.310 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.772 -10.808 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.646 -11.438 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.435 -12.962 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.228 -11.871 4.625 1.00 0.00 H new ATOM 118 N HIS A 13 17.703 -12.483 -0.759 1.00 0.00 N ATOM 119 CA HIS A 13 17.197 -12.831 -2.089 1.00 0.00 C ATOM 120 C HIS A 13 15.773 -13.428 -2.109 1.00 0.00 C ATOM 121 O HIS A 13 15.107 -13.300 -3.137 1.00 0.00 O ATOM 122 CB HIS A 13 18.160 -13.793 -2.788 1.00 0.00 C ATOM 123 CG HIS A 13 19.531 -13.226 -3.006 1.00 0.00 C ATOM 124 ND1 HIS A 13 19.874 -12.480 -4.112 1.00 0.00 N ATOM 125 CD2 HIS A 13 20.646 -13.288 -2.238 1.00 0.00 C ATOM 126 CE1 HIS A 13 21.141 -12.118 -4.019 1.00 0.00 C ATOM 127 NE2 HIS A 13 21.629 -12.595 -2.891 1.00 0.00 N ATOM 0 H HIS A 13 18.186 -13.248 -0.288 1.00 0.00 H new ATOM 0 HA HIS A 13 17.133 -11.883 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.244 -14.703 -2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.738 -14.078 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 13 20.741 -13.791 -1.287 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.685 -11.531 -4.744 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.585 -12.468 -2.559 1.00 0.00 H new ATOM 136 N PRO A 14 15.305 -14.147 -1.043 1.00 0.00 N ATOM 137 CA PRO A 14 13.934 -14.682 -0.971 1.00 0.00 C ATOM 138 C PRO A 14 12.839 -13.729 -1.481 1.00 0.00 C ATOM 139 O PRO A 14 13.081 -12.544 -1.693 1.00 0.00 O ATOM 140 CB PRO A 14 13.718 -14.940 0.522 1.00 0.00 C ATOM 141 CG PRO A 14 15.069 -15.006 1.150 1.00 0.00 C ATOM 142 CD PRO A 14 16.089 -14.590 0.120 1.00 0.00 C ATOM 0 HA PRO A 14 13.850 -15.559 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.123 -14.144 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.174 -15.871 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.117 -14.349 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.275 -16.017 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.723 -13.787 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.746 -15.420 -0.141 1.00 0.00 H new ATOM 150 N PRO A 15 11.607 -14.252 -1.673 1.00 0.00 N ATOM 151 CA PRO A 15 10.446 -13.462 -2.112 1.00 0.00 C ATOM 152 C PRO A 15 10.332 -12.092 -1.422 1.00 0.00 C ATOM 153 O PRO A 15 10.842 -11.889 -0.313 1.00 0.00 O ATOM 154 CB PRO A 15 9.274 -14.355 -1.710 1.00 0.00 C ATOM 155 CG PRO A 15 9.795 -15.739 -1.859 1.00 0.00 C ATOM 156 CD PRO A 15 11.253 -15.678 -1.490 1.00 0.00 C ATOM 0 HA PRO A 15 10.501 -13.219 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.957 -14.158 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.408 -14.186 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.257 -16.430 -1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.666 -16.096 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.419 -16.002 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.854 -16.324 -2.129 1.00 0.00 H new ATOM 164 N PRO A 16 9.638 -11.138 -2.075 1.00 0.00 N ATOM 165 CA PRO A 16 9.497 -9.745 -1.599 1.00 0.00 C ATOM 166 C PRO A 16 8.712 -9.595 -0.292 1.00 0.00 C ATOM 167 O PRO A 16 8.097 -8.562 -0.056 1.00 0.00 O ATOM 168 CB PRO A 16 8.736 -9.061 -2.739 1.00 0.00 C ATOM 169 CG PRO A 16 8.015 -10.164 -3.414 1.00 0.00 C ATOM 170 CD PRO A 16 8.947 -11.335 -3.362 1.00 0.00 C ATOM 0 HA PRO A 16 10.474 -9.320 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.045 -8.308 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.416 -8.554 -3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.075 -10.387 -2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.770 -9.902 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.409 -12.283 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.644 -11.336 -4.200 1.00 0.00 H new ATOM 178 N ARG A 17 8.739 -10.616 0.550 1.00 0.00 N ATOM 179 CA ARG A 17 8.138 -10.532 1.873 1.00 0.00 C ATOM 180 C ARG A 17 9.156 -10.019 2.874 1.00 0.00 C ATOM 181 O ARG A 17 8.817 -9.676 4.005 1.00 0.00 O ATOM 182 CB ARG A 17 7.592 -11.886 2.323 1.00 0.00 C ATOM 183 CG ARG A 17 8.519 -13.059 2.043 1.00 0.00 C ATOM 184 CD ARG A 17 8.018 -14.340 2.697 1.00 0.00 C ATOM 185 NE ARG A 17 6.580 -14.546 2.498 1.00 0.00 N ATOM 186 CZ ARG A 17 6.013 -15.725 2.237 1.00 0.00 C ATOM 187 NH1 ARG A 17 6.758 -16.811 2.079 1.00 0.00 N ATOM 188 NH2 ARG A 17 4.692 -15.811 2.118 1.00 0.00 N ATOM 0 H ARG A 17 9.172 -11.515 0.340 1.00 0.00 H new ATOM 0 HA ARG A 17 7.302 -9.835 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.390 -11.845 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.639 -12.064 1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.602 -13.208 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.519 -12.829 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.564 -15.190 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.233 -14.307 3.765 1.00 0.00 H new ATOM 0 HE ARG A 17 5.971 -13.731 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.773 -16.749 2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.316 -17.708 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.115 -14.977 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.255 -16.711 1.918 1.00 0.00 H new ATOM 202 N THR A 18 10.405 -9.969 2.443 1.00 0.00 N ATOM 203 CA THR A 18 11.471 -9.444 3.274 1.00 0.00 C ATOM 204 C THR A 18 12.711 -9.126 2.434 1.00 0.00 C ATOM 205 O THR A 18 13.768 -8.794 2.966 1.00 0.00 O ATOM 206 CB THR A 18 11.803 -10.436 4.411 1.00 0.00 C ATOM 207 OG1 THR A 18 12.893 -9.958 5.212 1.00 0.00 O ATOM 208 CG2 THR A 18 12.131 -11.815 3.857 1.00 0.00 C ATOM 0 H THR A 18 10.704 -10.286 1.521 1.00 0.00 H new ATOM 0 HA THR A 18 11.132 -8.512 3.726 1.00 0.00 H new ATOM 0 HB THR A 18 10.918 -10.517 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.489 -9.411 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.361 -12.492 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.275 -12.197 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.993 -11.745 3.193 1.00 0.00 H new ATOM 216 N SER A 19 12.570 -9.209 1.115 1.00 0.00 N ATOM 217 CA SER A 19 13.659 -8.864 0.215 1.00 0.00 C ATOM 218 C SER A 19 13.556 -7.405 -0.205 1.00 0.00 C ATOM 219 O SER A 19 14.023 -6.520 0.513 1.00 0.00 O ATOM 220 CB SER A 19 13.660 -9.787 -1.006 1.00 0.00 C ATOM 221 OG SER A 19 14.673 -9.429 -1.931 1.00 0.00 O ATOM 0 H SER A 19 11.714 -9.511 0.649 1.00 0.00 H new ATOM 0 HA SER A 19 14.603 -9.001 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.809 -10.817 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.687 -9.744 -1.496 1.00 0.00 H new ATOM 0 HG SER A 19 15.552 -9.544 -1.514 1.00 0.00 H new ATOM 227 N MET A 20 12.918 -7.155 -1.344 1.00 0.00 N ATOM 228 CA MET A 20 12.741 -5.800 -1.840 1.00 0.00 C ATOM 229 C MET A 20 11.744 -5.039 -0.973 1.00 0.00 C ATOM 230 O MET A 20 10.545 -5.003 -1.249 1.00 0.00 O ATOM 231 CB MET A 20 12.286 -5.807 -3.305 1.00 0.00 C ATOM 232 CG MET A 20 11.088 -6.703 -3.574 1.00 0.00 C ATOM 233 SD MET A 20 10.377 -6.457 -5.214 1.00 0.00 S ATOM 234 CE MET A 20 11.756 -6.933 -6.254 1.00 0.00 C ATOM 0 H MET A 20 12.515 -7.877 -1.941 1.00 0.00 H new ATOM 0 HA MET A 20 13.704 -5.292 -1.788 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.039 -4.788 -3.603 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.117 -6.130 -3.932 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.390 -7.745 -3.467 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.323 -6.514 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.415 -7.041 -7.284 1.00 0.00 H new ATOM 0 HE2 MET A 20 12.529 -6.166 -6.206 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.164 -7.882 -5.906 1.00 0.00 H new ATOM 244 N THR A 21 12.246 -4.459 0.095 1.00 0.00 N ATOM 245 CA THR A 21 11.423 -3.656 0.968 1.00 0.00 C ATOM 246 C THR A 21 11.532 -2.199 0.556 1.00 0.00 C ATOM 247 O THR A 21 12.598 -1.605 0.654 1.00 0.00 O ATOM 248 CB THR A 21 11.864 -3.816 2.435 1.00 0.00 C ATOM 249 OG1 THR A 21 11.902 -5.212 2.769 1.00 0.00 O ATOM 250 CG2 THR A 21 10.918 -3.079 3.375 1.00 0.00 C ATOM 0 H THR A 21 13.223 -4.530 0.379 1.00 0.00 H new ATOM 0 HA THR A 21 10.389 -3.990 0.883 1.00 0.00 H new ATOM 0 HB THR A 21 12.857 -3.382 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.184 -5.318 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.253 -3.209 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.912 -2.018 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.911 -3.482 3.268 1.00 0.00 H new ATOM 258 N GLU A 22 10.436 -1.631 0.094 1.00 0.00 N ATOM 259 CA GLU A 22 10.431 -0.242 -0.323 1.00 0.00 C ATOM 260 C GLU A 22 9.944 0.614 0.830 1.00 0.00 C ATOM 261 O GLU A 22 8.825 0.440 1.303 1.00 0.00 O ATOM 262 CB GLU A 22 9.504 -0.058 -1.536 1.00 0.00 C ATOM 263 CG GLU A 22 9.316 1.392 -1.982 1.00 0.00 C ATOM 264 CD GLU A 22 10.420 1.893 -2.891 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.364 1.609 -4.109 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.343 2.575 -2.402 1.00 0.00 O ATOM 0 H GLU A 22 9.539 -2.108 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 22 11.440 0.058 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.904 -0.632 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.528 -0.480 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.361 1.484 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.264 2.031 -1.101 1.00 0.00 H new ATOM 273 N GLU A 23 10.786 1.511 1.301 1.00 0.00 N ATOM 274 CA GLU A 23 10.359 2.456 2.310 1.00 0.00 C ATOM 275 C GLU A 23 9.970 3.741 1.600 1.00 0.00 C ATOM 276 O GLU A 23 10.822 4.553 1.231 1.00 0.00 O ATOM 277 CB GLU A 23 11.485 2.693 3.320 1.00 0.00 C ATOM 278 CG GLU A 23 11.082 3.549 4.506 1.00 0.00 C ATOM 279 CD GLU A 23 9.980 2.925 5.339 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.165 1.797 5.844 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.927 3.569 5.508 1.00 0.00 O ATOM 0 H GLU A 23 11.758 1.605 1.006 1.00 0.00 H new ATOM 0 HA GLU A 23 9.505 2.072 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.840 1.729 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.322 3.169 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.954 3.720 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.752 4.524 4.148 1.00 0.00 H new ATOM 288 N TYR A 24 8.676 3.928 1.426 1.00 0.00 N ATOM 289 CA TYR A 24 8.177 4.962 0.547 1.00 0.00 C ATOM 290 C TYR A 24 7.880 6.239 1.316 1.00 0.00 C ATOM 291 O TYR A 24 7.026 6.262 2.203 1.00 0.00 O ATOM 292 CB TYR A 24 6.922 4.475 -0.185 1.00 0.00 C ATOM 293 CG TYR A 24 6.922 4.818 -1.658 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.510 6.062 -2.105 1.00 0.00 C ATOM 295 CD2 TYR A 24 7.354 3.895 -2.603 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.533 6.380 -3.448 1.00 0.00 C ATOM 297 CE2 TYR A 24 7.376 4.203 -3.950 1.00 0.00 C ATOM 298 CZ TYR A 24 6.964 5.450 -4.367 1.00 0.00 C ATOM 299 OH TYR A 24 6.999 5.780 -5.705 1.00 0.00 O ATOM 0 H TYR A 24 7.952 3.375 1.884 1.00 0.00 H new ATOM 0 HA TYR A 24 8.950 5.185 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.838 3.394 -0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.042 4.915 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.165 6.795 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.679 2.918 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.213 7.358 -3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.713 3.472 -4.670 1.00 0.00 H new ATOM 0 HH TYR A 24 6.856 4.974 -6.244 1.00 0.00 H new ATOM 309 N ARG A 25 8.604 7.296 0.978 1.00 0.00 N ATOM 310 CA ARG A 25 8.378 8.594 1.582 1.00 0.00 C ATOM 311 C ARG A 25 7.255 9.306 0.840 1.00 0.00 C ATOM 312 O ARG A 25 7.392 9.634 -0.342 1.00 0.00 O ATOM 313 CB ARG A 25 9.653 9.442 1.551 1.00 0.00 C ATOM 314 CG ARG A 25 10.881 8.726 2.086 1.00 0.00 C ATOM 315 CD ARG A 25 12.047 9.686 2.272 1.00 0.00 C ATOM 316 NE ARG A 25 12.726 10.017 1.020 1.00 0.00 N ATOM 317 CZ ARG A 25 12.883 11.264 0.567 1.00 0.00 C ATOM 318 NH1 ARG A 25 12.215 12.274 1.118 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.670 11.493 -0.479 1.00 0.00 N ATOM 0 H ARG A 25 9.354 7.277 0.287 1.00 0.00 H new ATOM 0 HA ARG A 25 8.095 8.452 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.845 9.754 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.489 10.348 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.642 8.253 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.169 7.931 1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.683 10.604 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.766 9.245 2.962 1.00 0.00 H new ATOM 0 HE ARG A 25 13.102 9.252 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.576 12.100 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.342 13.222 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.152 10.718 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.792 12.444 -0.827 1.00 0.00 H new ATOM 333 N VAL A 26 6.141 9.512 1.524 1.00 0.00 N ATOM 334 CA VAL A 26 4.971 10.121 0.912 1.00 0.00 C ATOM 335 C VAL A 26 4.621 11.443 1.593 1.00 0.00 C ATOM 336 O VAL A 26 4.554 11.529 2.822 1.00 0.00 O ATOM 337 CB VAL A 26 3.753 9.156 0.934 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.584 8.519 2.297 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.468 9.867 0.525 1.00 0.00 C ATOM 0 H VAL A 26 6.022 9.265 2.507 1.00 0.00 H new ATOM 0 HA VAL A 26 5.217 10.327 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 26 3.954 8.370 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.724 7.849 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.481 7.952 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.425 9.296 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.637 9.162 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.270 10.687 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.576 10.262 -0.485 1.00 0.00 H new ATOM 349 N PRO A 27 4.399 12.488 0.777 1.00 0.00 N ATOM 350 CA PRO A 27 4.042 13.822 1.263 1.00 0.00 C ATOM 351 C PRO A 27 2.763 13.773 2.079 1.00 0.00 C ATOM 352 O PRO A 27 1.816 13.085 1.712 1.00 0.00 O ATOM 353 CB PRO A 27 3.806 14.632 -0.017 1.00 0.00 C ATOM 354 CG PRO A 27 4.464 13.864 -1.110 1.00 0.00 C ATOM 355 CD PRO A 27 4.461 12.427 -0.689 1.00 0.00 C ATOM 0 HA PRO A 27 4.812 14.247 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.740 14.754 -0.212 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.231 15.632 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.928 13.993 -2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.482 14.217 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.607 11.891 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.358 11.909 -1.030 1.00 0.00 H new ATOM 363 N ASP A 28 2.741 14.524 3.177 1.00 0.00 N ATOM 364 CA ASP A 28 1.644 14.460 4.148 1.00 0.00 C ATOM 365 C ASP A 28 0.290 14.804 3.514 1.00 0.00 C ATOM 366 O ASP A 28 -0.747 14.269 3.914 1.00 0.00 O ATOM 367 CB ASP A 28 1.923 15.383 5.339 1.00 0.00 C ATOM 368 CG ASP A 28 1.659 16.841 5.031 1.00 0.00 C ATOM 369 OD1 ASP A 28 2.490 17.472 4.348 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.617 17.361 5.477 1.00 0.00 O ATOM 0 H ASP A 28 3.475 15.190 3.421 1.00 0.00 H new ATOM 0 HA ASP A 28 1.588 13.430 4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.303 15.077 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.962 15.265 5.648 1.00 0.00 H new ATOM 375 N GLY A 29 0.300 15.685 2.522 1.00 0.00 N ATOM 376 CA GLY A 29 -0.916 15.981 1.786 1.00 0.00 C ATOM 377 C GLY A 29 -1.358 14.793 0.955 1.00 0.00 C ATOM 378 O GLY A 29 -2.546 14.463 0.876 1.00 0.00 O ATOM 0 H GLY A 29 1.125 16.199 2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.708 16.255 2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.751 16.841 1.137 1.00 0.00 H new ATOM 382 N MET A 30 -0.386 14.121 0.365 1.00 0.00 N ATOM 383 CA MET A 30 -0.649 12.941 -0.440 1.00 0.00 C ATOM 384 C MET A 30 -0.865 11.732 0.456 1.00 0.00 C ATOM 385 O MET A 30 -1.221 10.657 -0.009 1.00 0.00 O ATOM 386 CB MET A 30 0.491 12.699 -1.428 1.00 0.00 C ATOM 387 CG MET A 30 0.209 13.252 -2.819 1.00 0.00 C ATOM 388 SD MET A 30 -0.439 14.940 -2.797 1.00 0.00 S ATOM 389 CE MET A 30 0.961 15.853 -2.156 1.00 0.00 C ATOM 0 H MET A 30 0.600 14.375 0.429 1.00 0.00 H new ATOM 0 HA MET A 30 -1.560 13.105 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.402 13.156 -1.041 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.678 11.628 -1.501 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.128 13.230 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.506 12.602 -3.323 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.712 16.261 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.819 15.187 -2.064 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.206 16.668 -2.837 1.00 0.00 H new ATOM 399 N VAL A 31 -0.635 11.919 1.746 1.00 0.00 N ATOM 400 CA VAL A 31 -1.046 10.949 2.745 1.00 0.00 C ATOM 401 C VAL A 31 -2.555 10.979 2.859 1.00 0.00 C ATOM 402 O VAL A 31 -3.208 9.941 2.906 1.00 0.00 O ATOM 403 CB VAL A 31 -0.413 11.242 4.117 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.959 10.311 5.189 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.093 11.125 4.025 1.00 0.00 C ATOM 0 H VAL A 31 -0.163 12.739 2.126 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.706 9.962 2.432 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.674 12.261 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.492 10.544 6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.038 10.443 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.739 9.278 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.534 11.334 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.361 10.115 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.470 11.842 3.295 1.00 0.00 H new ATOM 415 N GLY A 32 -3.102 12.188 2.871 1.00 0.00 N ATOM 416 CA GLY A 32 -4.540 12.349 2.824 1.00 0.00 C ATOM 417 C GLY A 32 -5.129 11.741 1.563 1.00 0.00 C ATOM 418 O GLY A 32 -6.259 11.258 1.565 1.00 0.00 O ATOM 0 H GLY A 32 -2.574 13.060 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.988 11.879 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.790 13.409 2.869 1.00 0.00 H new ATOM 422 N LEU A 33 -4.358 11.764 0.482 1.00 0.00 N ATOM 423 CA LEU A 33 -4.812 11.187 -0.784 1.00 0.00 C ATOM 424 C LEU A 33 -4.586 9.672 -0.863 1.00 0.00 C ATOM 425 O LEU A 33 -5.368 8.965 -1.497 1.00 0.00 O ATOM 426 CB LEU A 33 -4.120 11.868 -1.967 1.00 0.00 C ATOM 427 CG LEU A 33 -4.574 13.297 -2.262 1.00 0.00 C ATOM 428 CD1 LEU A 33 -3.799 13.864 -3.441 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.071 13.339 -2.541 1.00 0.00 C ATOM 0 H LEU A 33 -3.423 12.171 0.453 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.887 11.362 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.046 11.878 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.283 11.262 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.372 13.910 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.133 14.882 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.734 13.870 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.974 13.246 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.374 14.365 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.298 12.712 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.614 12.970 -1.671 1.00 0.00 H new ATOM 441 N ILE A 34 -3.529 9.169 -0.227 1.00 0.00 N ATOM 442 CA ILE A 34 -3.214 7.741 -0.298 1.00 0.00 C ATOM 443 C ILE A 34 -4.240 6.944 0.493 1.00 0.00 C ATOM 444 O ILE A 34 -4.528 5.785 0.193 1.00 0.00 O ATOM 445 CB ILE A 34 -1.780 7.427 0.215 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.413 5.969 -0.064 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.651 7.714 1.699 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.422 5.628 -1.536 1.00 0.00 C ATOM 0 H ILE A 34 -2.882 9.720 0.337 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.252 7.450 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.090 8.077 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.423 5.765 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.114 5.318 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.637 7.484 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.863 8.767 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.360 7.097 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.154 4.580 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.418 5.802 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.701 6.256 -2.059 1.00 0.00 H new ATOM 460 N ILE A 35 -4.798 7.586 1.505 1.00 0.00 N ATOM 461 CA ILE A 35 -5.868 7.001 2.282 1.00 0.00 C ATOM 462 C ILE A 35 -7.213 7.258 1.619 1.00 0.00 C ATOM 463 O ILE A 35 -8.223 6.667 2.007 1.00 0.00 O ATOM 464 CB ILE A 35 -5.893 7.525 3.725 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.909 9.055 3.758 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.712 6.966 4.496 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.874 9.635 5.156 1.00 0.00 C ATOM 0 H ILE A 35 -4.522 8.520 1.807 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.680 5.928 2.321 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.811 7.186 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.053 9.430 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.805 9.411 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.735 7.341 5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.767 5.877 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.784 7.277 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.888 10.723 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.744 9.290 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.965 9.310 5.662 1.00 0.00 H new ATOM 479 N GLY A 36 -7.207 8.173 0.645 1.00 0.00 N ATOM 480 CA GLY A 36 -8.376 8.451 -0.181 1.00 0.00 C ATOM 481 C GLY A 36 -9.591 8.865 0.615 1.00 0.00 C ATOM 482 O GLY A 36 -9.828 10.050 0.846 1.00 0.00 O ATOM 0 H GLY A 36 -6.391 8.739 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.130 9.241 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.619 7.563 -0.764 1.00 0.00 H new ATOM 486 N ARG A 37 -10.358 7.874 1.037 1.00 0.00 N ATOM 487 CA ARG A 37 -11.548 8.081 1.849 1.00 0.00 C ATOM 488 C ARG A 37 -11.170 8.365 3.303 1.00 0.00 C ATOM 489 O ARG A 37 -11.768 7.827 4.232 1.00 0.00 O ATOM 490 CB ARG A 37 -12.437 6.841 1.749 1.00 0.00 C ATOM 491 CG ARG A 37 -11.692 5.542 2.027 1.00 0.00 C ATOM 492 CD ARG A 37 -12.210 4.402 1.156 1.00 0.00 C ATOM 493 NE ARG A 37 -13.559 3.973 1.534 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.665 4.309 0.873 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.592 5.072 -0.213 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.844 3.867 1.297 1.00 0.00 N ATOM 0 H ARG A 37 -10.172 6.894 0.824 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.094 8.948 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.263 6.936 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.874 6.795 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.627 5.686 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.802 5.276 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.212 4.719 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.529 3.554 1.230 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.657 3.378 2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.686 5.403 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.442 5.326 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.899 3.274 2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.695 4.121 0.795 1.00 0.00 H new ATOM 510 N GLY A 38 -10.149 9.196 3.477 1.00 0.00 N ATOM 511 CA GLY A 38 -9.725 9.622 4.794 1.00 0.00 C ATOM 512 C GLY A 38 -9.150 8.506 5.650 1.00 0.00 C ATOM 513 O GLY A 38 -9.093 8.634 6.872 1.00 0.00 O ATOM 0 H GLY A 38 -9.599 9.588 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.976 10.406 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.576 10.063 5.313 1.00 0.00 H new ATOM 517 N GLY A 39 -8.722 7.412 5.029 1.00 0.00 N ATOM 518 CA GLY A 39 -8.064 6.361 5.782 1.00 0.00 C ATOM 519 C GLY A 39 -8.319 4.976 5.226 1.00 0.00 C ATOM 520 O GLY A 39 -7.382 4.230 4.953 1.00 0.00 O ATOM 0 H GLY A 39 -8.817 7.235 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.990 6.549 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.404 6.398 6.817 1.00 0.00 H new ATOM 524 N GLU A 40 -9.585 4.660 5.015 1.00 0.00 N ATOM 525 CA GLU A 40 -10.018 3.298 4.702 1.00 0.00 C ATOM 526 C GLU A 40 -9.397 2.738 3.410 1.00 0.00 C ATOM 527 O GLU A 40 -9.343 1.521 3.227 1.00 0.00 O ATOM 528 CB GLU A 40 -11.541 3.278 4.603 1.00 0.00 C ATOM 529 CG GLU A 40 -12.136 1.892 4.440 1.00 0.00 C ATOM 530 CD GLU A 40 -13.624 1.948 4.186 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.383 2.237 5.132 1.00 0.00 O ATOM 532 OE2 GLU A 40 -14.036 1.740 3.029 1.00 0.00 O ATOM 0 H GLU A 40 -10.347 5.337 5.055 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.670 2.652 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.958 3.737 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.847 3.894 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.645 1.380 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.942 1.305 5.338 1.00 0.00 H new ATOM 539 N GLN A 41 -8.927 3.606 2.512 1.00 0.00 N ATOM 540 CA GLN A 41 -8.414 3.143 1.221 1.00 0.00 C ATOM 541 C GLN A 41 -7.186 2.261 1.397 1.00 0.00 C ATOM 542 O GLN A 41 -7.035 1.264 0.698 1.00 0.00 O ATOM 543 CB GLN A 41 -8.076 4.314 0.301 1.00 0.00 C ATOM 544 CG GLN A 41 -7.687 3.904 -1.105 1.00 0.00 C ATOM 545 CD GLN A 41 -7.515 5.099 -2.019 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.462 5.533 -2.673 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.316 5.655 -2.054 1.00 0.00 N ATOM 0 H GLN A 41 -8.891 4.616 2.650 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.207 2.554 0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.937 4.981 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.258 4.884 0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.757 3.336 -1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.451 3.242 -1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.556 5.265 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.151 6.474 -2.639 1.00 0.00 H new ATOM 556 N ILE A 42 -6.315 2.609 2.336 1.00 0.00 N ATOM 557 CA ILE A 42 -5.115 1.815 2.551 1.00 0.00 C ATOM 558 C ILE A 42 -5.495 0.432 3.072 1.00 0.00 C ATOM 559 O ILE A 42 -4.895 -0.566 2.678 1.00 0.00 O ATOM 560 CB ILE A 42 -4.102 2.501 3.504 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.800 1.698 3.579 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.682 2.695 4.896 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.067 1.611 2.257 1.00 0.00 C ATOM 0 H ILE A 42 -6.414 3.419 2.949 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.614 1.718 1.588 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.885 3.487 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.143 2.154 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.024 0.690 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.942 3.178 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.573 3.320 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.947 1.726 5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.155 1.028 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.706 1.128 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.812 2.614 1.916 1.00 0.00 H new ATOM 575 N ASN A 43 -6.526 0.377 3.917 1.00 0.00 N ATOM 576 CA ASN A 43 -7.043 -0.893 4.416 1.00 0.00 C ATOM 577 C ASN A 43 -7.497 -1.745 3.240 1.00 0.00 C ATOM 578 O ASN A 43 -7.232 -2.939 3.184 1.00 0.00 O ATOM 579 CB ASN A 43 -8.229 -0.692 5.372 1.00 0.00 C ATOM 580 CG ASN A 43 -7.935 0.245 6.533 1.00 0.00 C ATOM 581 OD1 ASN A 43 -7.144 1.179 6.420 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.573 -0.003 7.664 1.00 0.00 N ATOM 0 H ASN A 43 -7.018 1.199 4.269 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.242 -1.386 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.075 -0.300 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.531 -1.661 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.416 0.590 8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.223 -0.787 7.722 1.00 0.00 H new ATOM 589 N LYS A 44 -8.181 -1.105 2.300 1.00 0.00 N ATOM 590 CA LYS A 44 -8.607 -1.763 1.071 1.00 0.00 C ATOM 591 C LYS A 44 -7.402 -2.290 0.301 1.00 0.00 C ATOM 592 O LYS A 44 -7.299 -3.479 0.035 1.00 0.00 O ATOM 593 CB LYS A 44 -9.383 -0.785 0.184 1.00 0.00 C ATOM 594 CG LYS A 44 -10.770 -0.438 0.694 1.00 0.00 C ATOM 595 CD LYS A 44 -11.387 0.680 -0.132 1.00 0.00 C ATOM 596 CE LYS A 44 -12.882 0.799 0.105 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.633 -0.325 -0.511 1.00 0.00 N ATOM 0 H LYS A 44 -8.454 -0.124 2.366 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.253 -2.598 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.805 0.134 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.473 -1.213 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.408 -1.321 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.712 -0.134 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.904 1.625 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.201 0.495 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.079 0.822 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.240 1.743 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.646 -0.093 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.289 -0.483 -1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.490 -1.188 0.052 1.00 0.00 H new ATOM 611 N ILE A 45 -6.485 -1.387 -0.019 1.00 0.00 N ATOM 612 CA ILE A 45 -5.346 -1.689 -0.883 1.00 0.00 C ATOM 613 C ILE A 45 -4.473 -2.819 -0.328 1.00 0.00 C ATOM 614 O ILE A 45 -4.219 -3.805 -1.023 1.00 0.00 O ATOM 615 CB ILE A 45 -4.490 -0.416 -1.135 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.040 0.393 -2.318 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.029 -0.768 -1.398 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.521 0.702 -2.252 1.00 0.00 C ATOM 0 H ILE A 45 -6.508 -0.423 0.312 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.755 -2.034 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.546 0.189 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.491 1.333 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.840 -0.156 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.460 0.146 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.620 -1.293 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.962 -1.408 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.812 1.276 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.086 -0.230 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.732 1.282 -1.354 1.00 0.00 H new ATOM 630 N GLN A 46 -4.034 -2.699 0.919 1.00 0.00 N ATOM 631 CA GLN A 46 -3.076 -3.653 1.462 1.00 0.00 C ATOM 632 C GLN A 46 -3.749 -4.996 1.784 1.00 0.00 C ATOM 633 O GLN A 46 -3.120 -6.050 1.686 1.00 0.00 O ATOM 634 CB GLN A 46 -2.353 -3.063 2.685 1.00 0.00 C ATOM 635 CG GLN A 46 -3.252 -2.667 3.845 1.00 0.00 C ATOM 636 CD GLN A 46 -3.256 -3.677 4.975 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.059 -4.608 4.990 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.360 -3.493 5.937 1.00 0.00 N ATOM 0 H GLN A 46 -4.321 -1.963 1.564 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.322 -3.851 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.626 -3.792 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.792 -2.185 2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.929 -1.701 4.232 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.270 -2.539 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.711 -2.707 5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.320 -4.137 6.727 1.00 0.00 H new ATOM 647 N GLN A 47 -5.034 -4.959 2.126 1.00 0.00 N ATOM 648 CA GLN A 47 -5.785 -6.178 2.428 1.00 0.00 C ATOM 649 C GLN A 47 -6.178 -6.907 1.148 1.00 0.00 C ATOM 650 O GLN A 47 -6.119 -8.134 1.078 1.00 0.00 O ATOM 651 CB GLN A 47 -7.032 -5.839 3.254 1.00 0.00 C ATOM 652 CG GLN A 47 -8.022 -6.987 3.440 1.00 0.00 C ATOM 653 CD GLN A 47 -7.550 -8.076 4.394 1.00 0.00 C ATOM 654 OE1 GLN A 47 -8.363 -8.729 5.047 1.00 0.00 O ATOM 655 NE2 GLN A 47 -6.247 -8.291 4.483 1.00 0.00 N ATOM 0 H GLN A 47 -5.578 -4.100 2.201 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.144 -6.840 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.714 -5.492 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.550 -5.008 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.965 -6.582 3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.226 -7.436 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.599 -7.732 3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.891 -9.015 5.107 1.00 0.00 H new ATOM 664 N ASP A 48 -6.569 -6.145 0.139 1.00 0.00 N ATOM 665 CA ASP A 48 -6.999 -6.704 -1.140 1.00 0.00 C ATOM 666 C ASP A 48 -5.844 -7.395 -1.858 1.00 0.00 C ATOM 667 O ASP A 48 -6.039 -8.387 -2.561 1.00 0.00 O ATOM 668 CB ASP A 48 -7.579 -5.589 -2.018 1.00 0.00 C ATOM 669 CG ASP A 48 -7.931 -6.044 -3.421 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.967 -6.720 -3.591 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.189 -5.696 -4.365 1.00 0.00 O ATOM 0 H ASP A 48 -6.599 -5.126 0.179 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.767 -7.453 -0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.473 -5.189 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.858 -4.774 -2.079 1.00 0.00 H new ATOM 676 N SER A 49 -4.641 -6.876 -1.664 1.00 0.00 N ATOM 677 CA SER A 49 -3.465 -7.434 -2.314 1.00 0.00 C ATOM 678 C SER A 49 -2.792 -8.499 -1.449 1.00 0.00 C ATOM 679 O SER A 49 -2.276 -9.494 -1.960 1.00 0.00 O ATOM 680 CB SER A 49 -2.475 -6.318 -2.644 1.00 0.00 C ATOM 681 OG SER A 49 -2.198 -5.525 -1.498 1.00 0.00 O ATOM 0 H SER A 49 -4.454 -6.073 -1.064 1.00 0.00 H new ATOM 0 HA SER A 49 -3.789 -7.917 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.549 -6.750 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.882 -5.689 -3.436 1.00 0.00 H new ATOM 0 HG SER A 49 -2.797 -4.749 -1.485 1.00 0.00 H new ATOM 687 N GLY A 50 -2.803 -8.287 -0.139 1.00 0.00 N ATOM 688 CA GLY A 50 -2.147 -9.208 0.768 1.00 0.00 C ATOM 689 C GLY A 50 -0.763 -8.725 1.148 1.00 0.00 C ATOM 690 O GLY A 50 -0.002 -9.433 1.810 1.00 0.00 O ATOM 0 H GLY A 50 -3.256 -7.492 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.751 -9.326 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.075 -10.190 0.301 1.00 0.00 H new ATOM 694 N CYS A 51 -0.445 -7.509 0.730 1.00 0.00 N ATOM 695 CA CYS A 51 0.850 -6.909 1.004 1.00 0.00 C ATOM 696 C CYS A 51 0.902 -6.371 2.431 1.00 0.00 C ATOM 697 O CYS A 51 -0.082 -5.845 2.952 1.00 0.00 O ATOM 698 CB CYS A 51 1.108 -5.782 0.007 1.00 0.00 C ATOM 699 SG CYS A 51 2.756 -5.047 0.113 1.00 0.00 S ATOM 0 H CYS A 51 -1.075 -6.913 0.193 1.00 0.00 H new ATOM 0 HA CYS A 51 1.623 -7.670 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.960 -6.166 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.365 -5.000 0.162 1.00 0.00 H new ATOM 0 HG CYS A 51 3.374 -5.516 1.156 1.00 0.00 H new ATOM 705 N LYS A 52 2.060 -6.513 3.058 1.00 0.00 N ATOM 706 CA LYS A 52 2.281 -6.026 4.410 1.00 0.00 C ATOM 707 C LYS A 52 2.644 -4.547 4.353 1.00 0.00 C ATOM 708 O LYS A 52 3.801 -4.170 4.539 1.00 0.00 O ATOM 709 CB LYS A 52 3.421 -6.812 5.081 1.00 0.00 C ATOM 710 CG LYS A 52 3.487 -8.285 4.687 1.00 0.00 C ATOM 711 CD LYS A 52 2.254 -9.062 5.121 1.00 0.00 C ATOM 712 CE LYS A 52 2.292 -10.489 4.595 1.00 0.00 C ATOM 713 NZ LYS A 52 3.464 -11.246 5.115 1.00 0.00 N ATOM 0 H LYS A 52 2.873 -6.969 2.643 1.00 0.00 H new ATOM 0 HA LYS A 52 1.371 -6.163 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.370 -6.338 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.307 -6.742 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.599 -8.363 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.373 -8.737 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.192 -9.074 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.357 -8.561 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.374 -11.004 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.326 -10.473 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.371 -12.249 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.337 -10.862 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.504 -11.156 6.150 1.00 0.00 H new ATOM 727 N VAL A 53 1.657 -3.720 4.059 1.00 0.00 N ATOM 728 CA VAL A 53 1.871 -2.290 3.939 1.00 0.00 C ATOM 729 C VAL A 53 1.763 -1.631 5.303 1.00 0.00 C ATOM 730 O VAL A 53 0.670 -1.511 5.862 1.00 0.00 O ATOM 731 CB VAL A 53 0.853 -1.659 2.972 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.109 -0.170 2.793 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.887 -2.367 1.632 1.00 0.00 C ATOM 0 H VAL A 53 0.694 -4.017 3.898 1.00 0.00 H new ATOM 0 HA VAL A 53 2.872 -2.129 3.538 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.139 -1.778 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.373 0.245 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.028 0.332 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.110 -0.019 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.161 -1.909 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.885 -2.283 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.639 -3.419 1.770 1.00 0.00 H new ATOM 743 N GLN A 54 2.899 -1.214 5.838 1.00 0.00 N ATOM 744 CA GLN A 54 2.940 -0.646 7.170 1.00 0.00 C ATOM 745 C GLN A 54 2.955 0.872 7.101 1.00 0.00 C ATOM 746 O GLN A 54 3.829 1.463 6.464 1.00 0.00 O ATOM 747 CB GLN A 54 4.165 -1.160 7.932 1.00 0.00 C ATOM 748 CG GLN A 54 3.969 -1.163 9.437 1.00 0.00 C ATOM 749 CD GLN A 54 2.721 -1.929 9.827 1.00 0.00 C ATOM 750 OE1 GLN A 54 2.762 -3.139 10.052 1.00 0.00 O ATOM 751 NE2 GLN A 54 1.604 -1.224 9.906 1.00 0.00 N ATOM 0 H GLN A 54 3.803 -1.259 5.368 1.00 0.00 H new ATOM 0 HA GLN A 54 2.043 -0.957 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.395 -2.172 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.027 -0.540 7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.839 -1.610 9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.897 -0.137 9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.618 -0.223 9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.729 -1.682 10.162 1.00 0.00 H new ATOM 760 N ILE A 55 1.979 1.499 7.740 1.00 0.00 N ATOM 761 CA ILE A 55 1.863 2.943 7.704 1.00 0.00 C ATOM 762 C ILE A 55 2.411 3.585 8.978 1.00 0.00 C ATOM 763 O ILE A 55 1.904 3.350 10.073 1.00 0.00 O ATOM 764 CB ILE A 55 0.396 3.381 7.485 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.087 2.974 6.089 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.233 4.874 7.685 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.809 3.444 4.963 1.00 0.00 C ATOM 0 H ILE A 55 1.259 1.029 8.288 1.00 0.00 H new ATOM 0 HA ILE A 55 2.462 3.288 6.861 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.217 2.872 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.166 1.888 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.089 3.373 5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.809 5.151 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.526 5.139 8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.864 5.407 6.974 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.397 3.115 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.870 4.532 4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.806 3.024 5.092 1.00 0.00 H new ATOM 779 N SER A 56 3.454 4.387 8.825 1.00 0.00 N ATOM 780 CA SER A 56 4.018 5.132 9.941 1.00 0.00 C ATOM 781 C SER A 56 3.785 6.633 9.741 1.00 0.00 C ATOM 782 O SER A 56 4.567 7.318 9.077 1.00 0.00 O ATOM 783 CB SER A 56 5.512 4.826 10.070 1.00 0.00 C ATOM 784 OG SER A 56 5.734 3.434 10.241 1.00 0.00 O ATOM 0 H SER A 56 3.929 4.539 7.935 1.00 0.00 H new ATOM 0 HA SER A 56 3.523 4.828 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.036 5.175 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.926 5.371 10.918 1.00 0.00 H new ATOM 0 HG SER A 56 6.696 3.263 10.319 1.00 0.00 H new ATOM 790 N PRO A 57 2.680 7.148 10.325 1.00 0.00 N ATOM 791 CA PRO A 57 2.225 8.544 10.166 1.00 0.00 C ATOM 792 C PRO A 57 3.298 9.593 10.455 1.00 0.00 C ATOM 793 O PRO A 57 3.586 10.441 9.611 1.00 0.00 O ATOM 794 CB PRO A 57 1.087 8.659 11.183 1.00 0.00 C ATOM 795 CG PRO A 57 0.568 7.274 11.322 1.00 0.00 C ATOM 796 CD PRO A 57 1.768 6.383 11.196 1.00 0.00 C ATOM 0 HA PRO A 57 1.938 8.741 9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.445 9.046 12.137 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.311 9.340 10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.075 7.134 12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.169 7.052 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.219 6.179 12.167 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.508 5.420 10.756 1.00 0.00 H new ATOM 804 N ASP A 58 3.887 9.548 11.643 1.00 0.00 N ATOM 805 CA ASP A 58 4.894 10.542 12.015 1.00 0.00 C ATOM 806 C ASP A 58 6.280 10.092 11.576 1.00 0.00 C ATOM 807 O ASP A 58 7.255 10.818 11.757 1.00 0.00 O ATOM 808 CB ASP A 58 4.883 10.805 13.526 1.00 0.00 C ATOM 809 CG ASP A 58 5.690 9.788 14.309 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.262 8.619 14.394 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.746 10.161 14.859 1.00 0.00 O ATOM 0 H ASP A 58 3.692 8.847 12.358 1.00 0.00 H new ATOM 0 HA ASP A 58 4.645 11.472 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.279 11.802 13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.853 10.797 13.883 1.00 0.00 H new ATOM 816 N SER A 59 6.333 8.894 10.990 1.00 0.00 N ATOM 817 CA SER A 59 7.562 8.266 10.488 1.00 0.00 C ATOM 818 C SER A 59 8.700 8.268 11.516 1.00 0.00 C ATOM 819 O SER A 59 8.872 7.304 12.263 1.00 0.00 O ATOM 820 CB SER A 59 8.011 8.896 9.157 1.00 0.00 C ATOM 821 OG SER A 59 8.217 10.294 9.267 1.00 0.00 O ATOM 0 H SER A 59 5.504 8.318 10.847 1.00 0.00 H new ATOM 0 HA SER A 59 7.316 7.220 10.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.934 8.420 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.259 8.701 8.393 1.00 0.00 H new ATOM 0 HG SER A 59 7.647 10.760 8.620 1.00 0.00 H new ATOM 827 N GLY A 60 9.456 9.353 11.560 1.00 0.00 N ATOM 828 CA GLY A 60 10.570 9.456 12.475 1.00 0.00 C ATOM 829 C GLY A 60 11.754 10.139 11.829 1.00 0.00 C ATOM 830 O GLY A 60 12.138 11.243 12.221 1.00 0.00 O ATOM 0 H GLY A 60 9.315 10.173 10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.265 10.014 13.360 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.861 8.460 12.810 1.00 0.00 H new ATOM 834 N GLY A 61 12.325 9.487 10.826 1.00 0.00 N ATOM 835 CA GLY A 61 13.450 10.056 10.109 1.00 0.00 C ATOM 836 C GLY A 61 13.010 10.954 8.976 1.00 0.00 C ATOM 837 O GLY A 61 13.836 11.494 8.242 1.00 0.00 O ATOM 0 H GLY A 61 12.028 8.569 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.070 10.625 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.070 9.252 9.713 1.00 0.00 H new ATOM 841 N LEU A 62 11.705 11.124 8.842 1.00 0.00 N ATOM 842 CA LEU A 62 11.138 11.872 7.735 1.00 0.00 C ATOM 843 C LEU A 62 10.222 12.972 8.262 1.00 0.00 C ATOM 844 O LEU A 62 9.659 12.845 9.347 1.00 0.00 O ATOM 845 CB LEU A 62 10.341 10.920 6.833 1.00 0.00 C ATOM 846 CG LEU A 62 11.104 9.690 6.341 1.00 0.00 C ATOM 847 CD1 LEU A 62 10.229 8.847 5.433 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.387 10.091 5.631 1.00 0.00 C ATOM 0 H LEU A 62 11.014 10.750 9.493 1.00 0.00 H new ATOM 0 HA LEU A 62 11.943 12.330 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.458 10.585 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.988 11.478 5.966 1.00 0.00 H new ATOM 0 HG LEU A 62 11.375 9.091 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.790 7.976 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.346 8.519 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.922 9.440 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.910 9.197 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.147 10.719 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.025 10.645 6.319 1.00 0.00 H new ATOM 860 N PRO A 63 10.079 14.075 7.511 1.00 0.00 N ATOM 861 CA PRO A 63 9.114 15.129 7.830 1.00 0.00 C ATOM 862 C PRO A 63 7.739 14.758 7.296 1.00 0.00 C ATOM 863 O PRO A 63 6.716 15.350 7.648 1.00 0.00 O ATOM 864 CB PRO A 63 9.677 16.328 7.072 1.00 0.00 C ATOM 865 CG PRO A 63 10.272 15.723 5.849 1.00 0.00 C ATOM 866 CD PRO A 63 10.843 14.394 6.282 1.00 0.00 C ATOM 0 HA PRO A 63 8.990 15.308 8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.897 17.048 6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.425 16.859 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.519 15.590 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.048 16.365 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.709 13.630 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.913 14.462 6.480 1.00 0.00 H new ATOM 874 N GLU A 64 7.752 13.759 6.431 1.00 0.00 N ATOM 875 CA GLU A 64 6.570 13.266 5.768 1.00 0.00 C ATOM 876 C GLU A 64 6.161 11.937 6.390 1.00 0.00 C ATOM 877 O GLU A 64 6.631 11.578 7.472 1.00 0.00 O ATOM 878 CB GLU A 64 6.878 13.115 4.276 1.00 0.00 C ATOM 879 CG GLU A 64 8.080 12.222 3.999 1.00 0.00 C ATOM 880 CD GLU A 64 8.750 12.526 2.674 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.037 12.698 1.663 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.999 12.584 2.643 1.00 0.00 O ATOM 0 H GLU A 64 8.603 13.262 6.169 1.00 0.00 H new ATOM 0 HA GLU A 64 5.739 13.961 5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.004 12.704 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.059 14.101 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.807 12.340 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.761 11.180 4.008 1.00 0.00 H new ATOM 889 N ARG A 65 5.302 11.208 5.713 1.00 0.00 N ATOM 890 CA ARG A 65 4.809 9.945 6.228 1.00 0.00 C ATOM 891 C ARG A 65 5.553 8.806 5.548 1.00 0.00 C ATOM 892 O ARG A 65 5.797 8.853 4.345 1.00 0.00 O ATOM 893 CB ARG A 65 3.304 9.862 5.966 1.00 0.00 C ATOM 894 CG ARG A 65 2.517 8.977 6.921 1.00 0.00 C ATOM 895 CD ARG A 65 2.639 7.503 6.582 1.00 0.00 C ATOM 896 NE ARG A 65 2.262 7.222 5.195 1.00 0.00 N ATOM 897 CZ ARG A 65 1.008 7.070 4.765 1.00 0.00 C ATOM 898 NH1 ARG A 65 -0.018 7.227 5.593 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.780 6.771 3.492 1.00 0.00 N ATOM 0 H ARG A 65 4.928 11.467 4.800 1.00 0.00 H new ATOM 0 HA ARG A 65 4.980 9.870 7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.890 10.869 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.150 9.497 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.870 9.143 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.466 9.266 6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.665 7.177 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.005 6.924 7.254 1.00 0.00 H new ATOM 0 HE ARG A 65 3.012 7.136 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.148 7.467 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.972 7.108 5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.562 6.658 2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.177 6.654 3.159 1.00 0.00 H new ATOM 913 N SER A 66 5.932 7.796 6.309 1.00 0.00 N ATOM 914 CA SER A 66 6.694 6.697 5.750 1.00 0.00 C ATOM 915 C SER A 66 5.819 5.456 5.581 1.00 0.00 C ATOM 916 O SER A 66 4.931 5.187 6.399 1.00 0.00 O ATOM 917 CB SER A 66 7.911 6.406 6.629 1.00 0.00 C ATOM 918 OG SER A 66 7.527 6.078 7.955 1.00 0.00 O ATOM 0 H SER A 66 5.727 7.714 7.305 1.00 0.00 H new ATOM 0 HA SER A 66 7.047 6.982 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.483 5.583 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.567 7.276 6.644 1.00 0.00 H new ATOM 0 HG SER A 66 8.327 5.896 8.492 1.00 0.00 H new ATOM 924 N VAL A 67 6.053 4.730 4.497 1.00 0.00 N ATOM 925 CA VAL A 67 5.265 3.550 4.168 1.00 0.00 C ATOM 926 C VAL A 67 6.175 2.376 3.853 1.00 0.00 C ATOM 927 O VAL A 67 6.866 2.383 2.836 1.00 0.00 O ATOM 928 CB VAL A 67 4.365 3.795 2.937 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.483 2.585 2.664 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.526 5.046 3.116 1.00 0.00 C ATOM 0 H VAL A 67 6.790 4.940 3.824 1.00 0.00 H new ATOM 0 HA VAL A 67 4.643 3.332 5.036 1.00 0.00 H new ATOM 0 HB VAL A 67 5.011 3.947 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.858 2.780 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.110 1.714 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.849 2.394 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.902 5.195 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.892 4.936 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.181 5.908 3.246 1.00 0.00 H new ATOM 940 N SER A 68 6.178 1.369 4.705 1.00 0.00 N ATOM 941 CA SER A 68 6.928 0.169 4.405 1.00 0.00 C ATOM 942 C SER A 68 6.141 -0.722 3.469 1.00 0.00 C ATOM 943 O SER A 68 5.021 -1.141 3.775 1.00 0.00 O ATOM 944 CB SER A 68 7.269 -0.622 5.650 1.00 0.00 C ATOM 945 OG SER A 68 8.101 0.117 6.534 1.00 0.00 O ATOM 0 H SER A 68 5.679 1.358 5.594 1.00 0.00 H new ATOM 0 HA SER A 68 7.857 0.491 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.350 -0.903 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.771 -1.547 5.367 1.00 0.00 H new ATOM 0 HG SER A 68 8.754 0.631 6.015 1.00 0.00 H new ATOM 951 N LEU A 69 6.730 -1.003 2.333 1.00 0.00 N ATOM 952 CA LEU A 69 6.110 -1.845 1.347 1.00 0.00 C ATOM 953 C LEU A 69 6.821 -3.185 1.245 1.00 0.00 C ATOM 954 O LEU A 69 7.957 -3.268 0.774 1.00 0.00 O ATOM 955 CB LEU A 69 6.124 -1.132 0.013 1.00 0.00 C ATOM 956 CG LEU A 69 5.249 0.119 -0.045 1.00 0.00 C ATOM 957 CD1 LEU A 69 5.476 0.875 -1.338 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.786 -0.265 0.106 1.00 0.00 C ATOM 0 H LEU A 69 7.651 -0.654 2.069 1.00 0.00 H new ATOM 0 HA LEU A 69 5.081 -2.044 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.151 -0.854 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.795 -1.827 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 69 5.525 0.777 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.842 1.762 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.522 1.175 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.227 0.233 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.168 0.632 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.502 -0.940 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.638 -0.763 1.064 1.00 0.00 H new ATOM 970 N THR A 70 6.164 -4.226 1.731 1.00 0.00 N ATOM 971 CA THR A 70 6.692 -5.579 1.666 1.00 0.00 C ATOM 972 C THR A 70 5.525 -6.563 1.607 1.00 0.00 C ATOM 973 O THR A 70 4.464 -6.263 2.130 1.00 0.00 O ATOM 974 CB THR A 70 7.554 -5.885 2.905 1.00 0.00 C ATOM 975 OG1 THR A 70 8.022 -4.661 3.488 1.00 0.00 O ATOM 976 CG2 THR A 70 8.744 -6.741 2.527 1.00 0.00 C ATOM 0 H THR A 70 5.251 -4.157 2.181 1.00 0.00 H new ATOM 0 HA THR A 70 7.315 -5.675 0.777 1.00 0.00 H new ATOM 0 HB THR A 70 6.940 -6.426 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.632 -4.863 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.341 -6.947 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.395 -7.681 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.354 -6.213 1.794 1.00 0.00 H new ATOM 984 N GLY A 71 5.689 -7.712 0.964 1.00 0.00 N ATOM 985 CA GLY A 71 4.600 -8.673 0.921 1.00 0.00 C ATOM 986 C GLY A 71 4.853 -9.843 -0.008 1.00 0.00 C ATOM 987 O GLY A 71 5.487 -10.821 0.373 1.00 0.00 O ATOM 0 H GLY A 71 6.541 -7.994 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.422 -9.052 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.689 -8.162 0.607 1.00 0.00 H new ATOM 991 N ALA A 72 4.348 -9.744 -1.224 1.00 0.00 N ATOM 992 CA ALA A 72 4.452 -10.822 -2.199 1.00 0.00 C ATOM 993 C ALA A 72 4.549 -10.224 -3.597 1.00 0.00 C ATOM 994 O ALA A 72 4.234 -9.054 -3.768 1.00 0.00 O ATOM 995 CB ALA A 72 3.250 -11.752 -2.079 1.00 0.00 C ATOM 0 H ALA A 72 3.855 -8.919 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 72 5.349 -11.411 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.336 -12.555 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.218 -12.178 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.335 -11.189 -2.263 1.00 0.00 H new ATOM 1001 N PRO A 73 4.982 -11.004 -4.611 1.00 0.00 N ATOM 1002 CA PRO A 73 5.195 -10.498 -5.978 1.00 0.00 C ATOM 1003 C PRO A 73 4.053 -9.617 -6.485 1.00 0.00 C ATOM 1004 O PRO A 73 4.272 -8.471 -6.880 1.00 0.00 O ATOM 1005 CB PRO A 73 5.301 -11.777 -6.808 1.00 0.00 C ATOM 1006 CG PRO A 73 5.867 -12.780 -5.866 1.00 0.00 C ATOM 1007 CD PRO A 73 5.305 -12.443 -4.511 1.00 0.00 C ATOM 0 HA PRO A 73 6.072 -9.854 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.327 -12.089 -7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.947 -11.636 -7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.591 -13.792 -6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.956 -12.736 -5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.419 -13.037 -4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.028 -12.637 -3.719 1.00 0.00 H new ATOM 1015 N GLU A 74 2.837 -10.145 -6.457 1.00 0.00 N ATOM 1016 CA GLU A 74 1.675 -9.398 -6.928 1.00 0.00 C ATOM 1017 C GLU A 74 1.158 -8.453 -5.844 1.00 0.00 C ATOM 1018 O GLU A 74 0.667 -7.363 -6.140 1.00 0.00 O ATOM 1019 CB GLU A 74 0.566 -10.360 -7.370 1.00 0.00 C ATOM 1020 CG GLU A 74 0.015 -11.220 -6.244 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.868 -12.338 -6.749 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -2.069 -12.098 -6.988 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.356 -13.461 -6.912 1.00 0.00 O ATOM 0 H GLU A 74 2.628 -11.083 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 74 1.981 -8.798 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.249 -9.783 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.953 -11.010 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.843 -11.644 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.554 -10.593 -5.558 1.00 0.00 H new ATOM 1030 N SER A 75 1.293 -8.865 -4.587 1.00 0.00 N ATOM 1031 CA SER A 75 0.769 -8.098 -3.470 1.00 0.00 C ATOM 1032 C SER A 75 1.528 -6.788 -3.307 1.00 0.00 C ATOM 1033 O SER A 75 0.929 -5.718 -3.198 1.00 0.00 O ATOM 1034 CB SER A 75 0.873 -8.930 -2.195 1.00 0.00 C ATOM 1035 OG SER A 75 0.335 -10.225 -2.397 1.00 0.00 O ATOM 0 H SER A 75 1.763 -9.730 -4.319 1.00 0.00 H new ATOM 0 HA SER A 75 -0.276 -7.858 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.916 -9.008 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.340 -8.432 -1.385 1.00 0.00 H new ATOM 0 HG SER A 75 -0.638 -10.197 -2.282 1.00 0.00 H new ATOM 1041 N VAL A 76 2.850 -6.880 -3.324 1.00 0.00 N ATOM 1042 CA VAL A 76 3.698 -5.719 -3.127 1.00 0.00 C ATOM 1043 C VAL A 76 3.635 -4.819 -4.358 1.00 0.00 C ATOM 1044 O VAL A 76 3.860 -3.616 -4.274 1.00 0.00 O ATOM 1045 CB VAL A 76 5.162 -6.132 -2.821 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.965 -6.379 -4.091 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.839 -5.104 -1.932 1.00 0.00 C ATOM 0 H VAL A 76 3.358 -7.752 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 76 3.329 -5.166 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 76 5.126 -7.078 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.983 -6.665 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.500 -7.180 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.988 -5.469 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.864 -5.415 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.845 -4.137 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.294 -5.021 -0.992 1.00 0.00 H new ATOM 1057 N GLN A 77 3.298 -5.416 -5.496 1.00 0.00 N ATOM 1058 CA GLN A 77 3.139 -4.673 -6.733 1.00 0.00 C ATOM 1059 C GLN A 77 1.869 -3.830 -6.683 1.00 0.00 C ATOM 1060 O GLN A 77 1.875 -2.665 -7.076 1.00 0.00 O ATOM 1061 CB GLN A 77 3.096 -5.633 -7.921 1.00 0.00 C ATOM 1062 CG GLN A 77 2.941 -4.941 -9.265 1.00 0.00 C ATOM 1063 CD GLN A 77 2.971 -5.918 -10.424 1.00 0.00 C ATOM 1064 OE1 GLN A 77 2.342 -5.694 -11.458 1.00 0.00 O ATOM 1065 NE2 GLN A 77 3.711 -7.005 -10.259 1.00 0.00 N ATOM 0 H GLN A 77 3.130 -6.418 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 77 3.992 -4.006 -6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.011 -6.225 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.268 -6.329 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.000 -4.391 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.740 -4.210 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.216 -7.150 -9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.776 -7.696 -11.006 1.00 0.00 H new ATOM 1074 N LYS A 78 0.789 -4.422 -6.185 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.478 -3.712 -6.060 1.00 0.00 C ATOM 1076 C LYS A 78 -0.350 -2.584 -5.037 1.00 0.00 C ATOM 1077 O LYS A 78 -0.786 -1.449 -5.269 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.588 -4.674 -5.635 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.981 -4.085 -5.771 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.373 -3.930 -7.230 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.682 -3.173 -7.391 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.801 -3.828 -6.668 1.00 0.00 N ATOM 0 H LYS A 78 0.766 -5.389 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.734 -3.286 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.524 -5.580 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.426 -4.969 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.701 -4.728 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.018 -3.114 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.582 -3.404 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.465 -4.915 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.559 -2.155 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.929 -3.100 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.696 -3.358 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.850 -4.831 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.642 -3.755 -5.643 1.00 0.00 H new ATOM 1096 N ALA A 79 0.259 -2.906 -3.905 1.00 0.00 N ATOM 1097 CA ALA A 79 0.533 -1.916 -2.878 1.00 0.00 C ATOM 1098 C ALA A 79 1.324 -0.752 -3.470 1.00 0.00 C ATOM 1099 O ALA A 79 0.960 0.415 -3.309 1.00 0.00 O ATOM 1100 CB ALA A 79 1.310 -2.547 -1.739 1.00 0.00 C ATOM 0 H ALA A 79 0.573 -3.849 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.414 -1.539 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.510 -1.796 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.726 -3.359 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.254 -2.941 -2.116 1.00 0.00 H new ATOM 1106 N LYS A 80 2.390 -1.085 -4.189 1.00 0.00 N ATOM 1107 CA LYS A 80 3.266 -0.082 -4.772 1.00 0.00 C ATOM 1108 C LYS A 80 2.626 0.649 -5.945 1.00 0.00 C ATOM 1109 O LYS A 80 3.049 1.745 -6.270 1.00 0.00 O ATOM 1110 CB LYS A 80 4.589 -0.693 -5.229 1.00 0.00 C ATOM 1111 CG LYS A 80 5.525 -1.063 -4.092 1.00 0.00 C ATOM 1112 CD LYS A 80 6.923 -1.374 -4.608 1.00 0.00 C ATOM 1113 CE LYS A 80 6.910 -2.519 -5.610 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.205 -2.638 -6.330 1.00 0.00 N ATOM 0 H LYS A 80 2.667 -2.048 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 80 3.452 0.642 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.380 -1.585 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.095 0.013 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.573 -0.243 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.130 -1.928 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.344 -0.485 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.572 -1.630 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.695 -3.453 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.107 -2.363 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.156 -3.429 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.398 -1.756 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.968 -2.813 -5.645 1.00 0.00 H new ATOM 1128 N MET A 81 1.632 0.060 -6.600 1.00 0.00 N ATOM 1129 CA MET A 81 1.011 0.744 -7.730 1.00 0.00 C ATOM 1130 C MET A 81 0.220 1.947 -7.233 1.00 0.00 C ATOM 1131 O MET A 81 0.231 3.004 -7.862 1.00 0.00 O ATOM 1132 CB MET A 81 0.121 -0.180 -8.577 1.00 0.00 C ATOM 1133 CG MET A 81 -1.226 -0.509 -7.960 1.00 0.00 C ATOM 1134 SD MET A 81 -2.360 -1.273 -9.132 1.00 0.00 S ATOM 1135 CE MET A 81 -2.655 0.098 -10.246 1.00 0.00 C ATOM 0 H MET A 81 1.248 -0.859 -6.379 1.00 0.00 H new ATOM 0 HA MET A 81 1.815 1.078 -8.386 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.044 0.288 -9.547 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.658 -1.111 -8.760 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.079 -1.180 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.675 0.404 -7.569 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.728 0.236 -10.377 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.221 1.006 -9.828 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.196 -0.113 -11.212 1.00 0.00 H new ATOM 1145 N MET A 82 -0.439 1.798 -6.083 1.00 0.00 N ATOM 1146 CA MET A 82 -1.171 2.917 -5.492 1.00 0.00 C ATOM 1147 C MET A 82 -0.203 3.909 -4.861 1.00 0.00 C ATOM 1148 O MET A 82 -0.381 5.121 -4.963 1.00 0.00 O ATOM 1149 CB MET A 82 -2.181 2.441 -4.444 1.00 0.00 C ATOM 1150 CG MET A 82 -3.290 1.570 -5.010 1.00 0.00 C ATOM 1151 SD MET A 82 -4.106 2.309 -6.438 1.00 0.00 S ATOM 1152 CE MET A 82 -5.288 1.025 -6.846 1.00 0.00 C ATOM 0 H MET A 82 -0.481 0.929 -5.551 1.00 0.00 H new ATOM 0 HA MET A 82 -1.722 3.408 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.652 1.883 -3.671 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.626 3.311 -3.961 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.875 0.603 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.030 1.382 -4.232 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.977 1.393 -7.606 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.759 0.152 -7.228 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.847 0.748 -5.952 1.00 0.00 H new ATOM 1162 N LEU A 83 0.832 3.379 -4.223 1.00 0.00 N ATOM 1163 CA LEU A 83 1.862 4.201 -3.597 1.00 0.00 C ATOM 1164 C LEU A 83 2.572 5.050 -4.637 1.00 0.00 C ATOM 1165 O LEU A 83 2.548 6.276 -4.576 1.00 0.00 O ATOM 1166 CB LEU A 83 2.888 3.317 -2.873 1.00 0.00 C ATOM 1167 CG LEU A 83 2.691 3.148 -1.362 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.856 4.481 -0.651 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.328 2.549 -1.051 1.00 0.00 C ATOM 0 H LEU A 83 0.982 2.375 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 83 1.377 4.855 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.873 2.329 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.880 3.734 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 83 3.455 2.460 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.713 4.342 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.857 4.870 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.117 5.188 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.216 2.440 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.546 3.206 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.244 1.571 -1.525 1.00 0.00 H new ATOM 1181 N ASP A 84 3.175 4.375 -5.602 1.00 0.00 N ATOM 1182 CA ASP A 84 3.942 5.024 -6.658 1.00 0.00 C ATOM 1183 C ASP A 84 3.085 6.040 -7.400 1.00 0.00 C ATOM 1184 O ASP A 84 3.573 7.082 -7.823 1.00 0.00 O ATOM 1185 CB ASP A 84 4.468 3.963 -7.633 1.00 0.00 C ATOM 1186 CG ASP A 84 5.436 4.512 -8.658 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.651 4.550 -8.366 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.993 4.877 -9.768 1.00 0.00 O ATOM 0 H ASP A 84 3.147 3.358 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 84 4.783 5.553 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.961 3.173 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.624 3.506 -8.150 1.00 0.00 H new ATOM 1193 N ASP A 85 1.798 5.742 -7.537 1.00 0.00 N ATOM 1194 CA ASP A 85 0.889 6.621 -8.260 1.00 0.00 C ATOM 1195 C ASP A 85 0.639 7.929 -7.504 1.00 0.00 C ATOM 1196 O ASP A 85 0.980 9.011 -7.990 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.437 5.911 -8.522 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.398 6.770 -9.321 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -1.286 6.786 -10.566 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.265 7.431 -8.716 1.00 0.00 O ATOM 0 H ASP A 85 1.362 4.901 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 85 1.362 6.870 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.250 4.982 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.897 5.642 -7.571 1.00 0.00 H new ATOM 1205 N ILE A 86 0.076 7.823 -6.305 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.290 9.003 -5.526 1.00 0.00 C ATOM 1207 C ILE A 86 0.945 9.781 -5.087 1.00 0.00 C ATOM 1208 O ILE A 86 0.973 11.014 -5.124 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.144 8.634 -4.286 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.596 8.366 -4.696 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.082 9.727 -3.227 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.795 7.046 -5.406 1.00 0.00 C ATOM 0 H ILE A 86 -0.137 6.935 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.891 9.635 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.729 7.724 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.225 8.388 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.935 9.173 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.691 9.438 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.049 9.866 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.462 10.660 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.847 6.927 -5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.193 7.027 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.488 6.231 -4.751 1.00 0.00 H new ATOM 1224 N VAL A 87 1.976 9.066 -4.693 1.00 0.00 N ATOM 1225 CA VAL A 87 3.185 9.711 -4.231 1.00 0.00 C ATOM 1226 C VAL A 87 3.923 10.370 -5.398 1.00 0.00 C ATOM 1227 O VAL A 87 4.689 11.307 -5.199 1.00 0.00 O ATOM 1228 CB VAL A 87 4.088 8.720 -3.473 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.352 9.392 -2.969 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.326 8.125 -2.305 1.00 0.00 C ATOM 0 H VAL A 87 2.002 8.046 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 87 2.908 10.496 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 87 4.379 7.931 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.965 8.663 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.913 9.792 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.087 10.204 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.968 7.424 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.017 8.922 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.445 7.601 -2.675 1.00 0.00 H new ATOM 1240 N SER A 88 3.657 9.908 -6.617 1.00 0.00 N ATOM 1241 CA SER A 88 4.162 10.585 -7.806 1.00 0.00 C ATOM 1242 C SER A 88 3.403 11.890 -8.030 1.00 0.00 C ATOM 1243 O SER A 88 3.951 12.852 -8.565 1.00 0.00 O ATOM 1244 CB SER A 88 4.034 9.686 -9.039 1.00 0.00 C ATOM 1245 OG SER A 88 4.500 10.337 -10.209 1.00 0.00 O ATOM 0 H SER A 88 3.100 9.075 -6.806 1.00 0.00 H new ATOM 0 HA SER A 88 5.217 10.808 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.601 8.769 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.992 9.397 -9.173 1.00 0.00 H new ATOM 0 HG SER A 88 4.406 9.736 -10.977 1.00 0.00 H new ATOM 1251 N ARG A 89 2.138 11.913 -7.613 1.00 0.00 N ATOM 1252 CA ARG A 89 1.311 13.113 -7.724 1.00 0.00 C ATOM 1253 C ARG A 89 1.832 14.195 -6.782 1.00 0.00 C ATOM 1254 O ARG A 89 1.684 15.389 -7.041 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.152 12.808 -7.368 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.742 11.598 -8.083 1.00 0.00 C ATOM 1257 CD ARG A 89 -0.874 11.823 -9.584 1.00 0.00 C ATOM 1258 NE ARG A 89 -1.841 12.877 -9.902 1.00 0.00 N ATOM 1259 CZ ARG A 89 -2.974 12.674 -10.577 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -3.277 11.463 -11.025 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.797 13.690 -10.818 1.00 0.00 N ATOM 0 H ARG A 89 1.663 11.113 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 89 1.361 13.460 -8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.224 12.648 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.759 13.683 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.111 10.728 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.723 11.373 -7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.099 12.088 -9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.181 10.894 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.635 13.825 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.643 10.683 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.144 11.312 -11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.563 14.626 -10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.663 13.534 -11.334 1.00 0.00 H new ATOM 1275 N GLY A 90 2.427 13.760 -5.674 1.00 0.00 N ATOM 1276 CA GLY A 90 2.919 14.693 -4.676 1.00 0.00 C ATOM 1277 C GLY A 90 4.397 15.015 -4.808 1.00 0.00 C ATOM 1278 O GLY A 90 4.804 16.168 -4.650 1.00 0.00 O ATOM 0 H GLY A 90 2.577 12.776 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.348 15.619 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.735 14.279 -3.685 1.00 0.00 H new ATOM 1282 N ARG A 91 5.208 14.004 -5.083 1.00 0.00 N ATOM 1283 CA ARG A 91 6.648 14.184 -5.171 1.00 0.00 C ATOM 1284 C ARG A 91 7.248 13.241 -6.208 1.00 0.00 C ATOM 1285 O ARG A 91 6.537 12.709 -7.060 1.00 0.00 O ATOM 1286 CB ARG A 91 7.302 13.966 -3.802 1.00 0.00 C ATOM 1287 CG ARG A 91 7.060 12.591 -3.200 1.00 0.00 C ATOM 1288 CD ARG A 91 7.806 12.427 -1.884 1.00 0.00 C ATOM 1289 NE ARG A 91 9.237 12.657 -2.052 1.00 0.00 N ATOM 1290 CZ ARG A 91 10.137 11.686 -2.135 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.776 10.420 -1.957 1.00 0.00 N ATOM 1292 NH2 ARG A 91 11.405 11.984 -2.367 1.00 0.00 N ATOM 0 H ARG A 91 4.892 13.049 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 91 6.845 15.208 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.376 14.123 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.930 14.722 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.992 12.446 -3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.382 11.822 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.407 13.126 -1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.641 11.423 -1.493 1.00 0.00 H new ATOM 0 HE ARG A 91 9.565 13.621 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.803 10.191 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.472 9.677 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.687 12.957 -2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.100 11.240 -2.432 1.00 0.00 H new