USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 786 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: B 204 CYS SG : rot 171:sc= 0.0299 USER MOD Set 1.2: B 207 CYS SG : rot -64:sc= -2.01! USER MOD Set 1.3: B 219 HIS : no HD1:sc= 0.127 K(o=-1.4,f=-2.5) USER MOD Set 1.4: B 223 CYS SG : rot 80:sc= 0.485 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 0.0869! USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.956 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.68 (180deg=0.663) USER MOD Single : A 2 GLN : amide:sc= -0.532 K(o=-0.53,f=-6.2!) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= -1.14 (180deg=-3.3!) USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.0378 USER MOD Single : A 20 SER OG : rot -40:sc= 0.308 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.151 (180deg=-0.753) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= 1.27 (180deg=0.713) USER MOD Single : A 40 GLN : amide:sc= 0.174 X(o=0.17,f=0.12) USER MOD Single : A 41 GLN : amide:sc= -10.8! C(o=-11!,f=-15!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000234 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -72:sc= -0.263 USER MOD Single : A 60 ASN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= 0.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 201 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Single : B 210 ASN : amide:sc= -0.0605 K(o=-0.06,f=-1.3) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 217 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.3!) USER MOD Single : B 218 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0424) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N MET A 1 4.500 10.396 -1.625 1.00 0.00 N ATOM 40 CA MET A 1 5.251 11.620 -1.961 1.00 0.00 C ATOM 41 C MET A 1 5.819 12.257 -0.688 1.00 0.00 C ATOM 42 O MET A 1 5.333 12.006 0.414 1.00 0.00 O ATOM 43 CB MET A 1 4.325 12.634 -2.679 1.00 0.00 C ATOM 44 CG MET A 1 3.601 12.085 -3.911 1.00 0.00 C ATOM 45 SD MET A 1 4.745 11.448 -5.153 1.00 0.00 S ATOM 46 CE MET A 1 3.629 10.989 -6.471 1.00 0.00 C ATOM 0 H1 MET A 1 4.163 9.945 -2.499 1.00 0.00 H new ATOM 0 H2 MET A 1 5.121 9.737 -1.113 1.00 0.00 H new ATOM 0 H3 MET A 1 3.686 10.642 -1.026 1.00 0.00 H new ATOM 0 HA MET A 1 6.073 11.352 -2.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.581 12.991 -1.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.919 13.497 -2.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.921 11.290 -3.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.992 12.873 -4.353 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.199 10.580 -7.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.927 10.238 -6.108 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.079 11.869 -6.805 1.00 0.00 H new ATOM 56 N GLN A 2 6.833 13.106 -0.862 1.00 0.00 N ATOM 57 CA GLN A 2 7.509 13.782 0.249 1.00 0.00 C ATOM 58 C GLN A 2 6.838 15.120 0.564 1.00 0.00 C ATOM 59 O GLN A 2 6.502 15.877 -0.340 1.00 0.00 O ATOM 60 CB GLN A 2 9.028 13.973 -0.034 1.00 0.00 C ATOM 61 CG GLN A 2 9.876 12.674 0.062 1.00 0.00 C ATOM 62 CD GLN A 2 9.876 11.782 -1.190 1.00 0.00 C ATOM 63 OE1 GLN A 2 8.921 11.737 -1.963 1.00 0.00 O ATOM 64 NE2 GLN A 2 10.955 11.041 -1.382 1.00 0.00 N ATOM 0 H GLN A 2 7.210 13.345 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 2 7.418 13.141 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.147 14.395 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.426 14.703 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.906 12.951 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.512 12.086 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.735 11.096 -0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.007 10.415 -2.185 1.00 0.00 H new ATOM 73 N ILE A 3 6.622 15.359 1.867 1.00 0.00 N ATOM 74 CA ILE A 3 6.128 16.634 2.427 1.00 0.00 C ATOM 75 C ILE A 3 7.039 17.043 3.586 1.00 0.00 C ATOM 76 O ILE A 3 7.726 16.197 4.184 1.00 0.00 O ATOM 77 CB ILE A 3 4.618 16.585 2.933 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.345 15.387 3.918 1.00 0.00 C ATOM 79 CG2 ILE A 3 3.633 16.560 1.743 1.00 0.00 C ATOM 80 CD1 ILE A 3 4.205 14.016 3.254 1.00 0.00 C ATOM 0 H ILE A 3 6.790 14.653 2.583 1.00 0.00 H new ATOM 0 HA ILE A 3 6.149 17.363 1.617 1.00 0.00 H new ATOM 0 HB ILE A 3 4.450 17.500 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.158 15.341 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.433 15.597 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.610 16.527 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.769 17.457 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.824 15.678 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.019 13.260 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.372 14.035 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.124 13.775 2.720 1.00 0.00 H new ATOM 92 N PHE A 4 7.032 18.344 3.902 1.00 0.00 N ATOM 93 CA PHE A 4 7.944 18.940 4.890 1.00 0.00 C ATOM 94 C PHE A 4 7.140 19.496 6.068 1.00 0.00 C ATOM 95 O PHE A 4 6.257 20.326 5.898 1.00 0.00 O ATOM 96 CB PHE A 4 8.803 20.051 4.224 1.00 0.00 C ATOM 97 CG PHE A 4 9.594 19.539 3.017 1.00 0.00 C ATOM 98 CD1 PHE A 4 10.711 18.718 3.198 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.203 19.838 1.712 1.00 0.00 C ATOM 100 CE1 PHE A 4 11.412 18.226 2.115 1.00 0.00 C ATOM 101 CE2 PHE A 4 9.903 19.343 0.632 1.00 0.00 C ATOM 102 CZ PHE A 4 11.009 18.536 0.833 1.00 0.00 C ATOM 0 H PHE A 4 6.392 19.016 3.479 1.00 0.00 H new ATOM 0 HA PHE A 4 8.620 18.173 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.153 20.867 3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.495 20.461 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.030 18.465 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.340 20.466 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.276 17.598 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.588 19.585 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.556 18.149 -0.014 1.00 0.00 H new ATOM 112 N VAL A 5 7.425 18.980 7.255 1.00 0.00 N ATOM 113 CA VAL A 5 6.866 19.466 8.519 1.00 0.00 C ATOM 114 C VAL A 5 8.007 20.149 9.289 1.00 0.00 C ATOM 115 O VAL A 5 9.093 19.592 9.387 1.00 0.00 O ATOM 116 CB VAL A 5 6.246 18.276 9.346 1.00 0.00 C ATOM 117 CG1 VAL A 5 5.664 18.751 10.681 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.164 17.542 8.526 1.00 0.00 C ATOM 0 H VAL A 5 8.065 18.195 7.374 1.00 0.00 H new ATOM 0 HA VAL A 5 6.059 20.176 8.339 1.00 0.00 H new ATOM 0 HB VAL A 5 7.057 17.581 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.247 17.900 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.452 19.208 11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.878 19.483 10.495 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.751 16.725 9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.368 18.240 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.608 17.142 7.614 1.00 0.00 H new ATOM 128 N LYS A 6 7.780 21.364 9.790 1.00 0.00 N ATOM 129 CA LYS A 6 8.830 22.174 10.422 1.00 0.00 C ATOM 130 C LYS A 6 8.466 22.438 11.892 1.00 0.00 C ATOM 131 O LYS A 6 7.456 23.096 12.151 1.00 0.00 O ATOM 132 CB LYS A 6 8.972 23.529 9.664 1.00 0.00 C ATOM 133 CG LYS A 6 10.308 24.255 9.926 1.00 0.00 C ATOM 134 CD LYS A 6 11.463 23.721 9.046 1.00 0.00 C ATOM 135 CE LYS A 6 12.813 24.355 9.421 1.00 0.00 C ATOM 136 NZ LYS A 6 13.885 24.030 8.452 1.00 0.00 N ATOM 0 H LYS A 6 6.866 21.816 9.771 1.00 0.00 H new ATOM 0 HA LYS A 6 9.777 21.636 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.872 23.348 8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.151 24.184 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.179 25.321 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.577 24.144 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.529 22.638 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.245 23.926 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.698 25.437 9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.108 24.011 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.811 24.111 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.756 23.058 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.841 24.692 7.651 1.00 0.00 H new ATOM 150 N THR A 7 9.284 21.945 12.847 1.00 0.00 N ATOM 151 CA THR A 7 9.035 22.158 14.284 1.00 0.00 C ATOM 152 C THR A 7 9.267 23.618 14.689 1.00 0.00 C ATOM 153 O THR A 7 9.899 24.398 13.957 1.00 0.00 O ATOM 154 CB THR A 7 9.933 21.254 15.187 1.00 0.00 C ATOM 155 OG1 THR A 7 11.308 21.452 14.849 1.00 0.00 O ATOM 156 CG2 THR A 7 9.567 19.775 15.074 1.00 0.00 C ATOM 0 H THR A 7 10.121 21.398 12.646 1.00 0.00 H new ATOM 0 HA THR A 7 7.990 21.890 14.439 1.00 0.00 H new ATOM 0 HB THR A 7 9.761 21.546 16.223 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.831 21.580 15.668 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.220 19.188 15.720 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.530 19.632 15.379 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.690 19.448 14.042 1.00 0.00 H new ATOM 164 N LEU A 8 8.776 23.947 15.893 1.00 0.00 N ATOM 165 CA LEU A 8 9.003 25.247 16.538 1.00 0.00 C ATOM 166 C LEU A 8 10.482 25.406 16.959 1.00 0.00 C ATOM 167 O LEU A 8 10.957 26.526 17.141 1.00 0.00 O ATOM 168 CB LEU A 8 8.088 25.391 17.776 1.00 0.00 C ATOM 169 CG LEU A 8 6.558 25.194 17.560 1.00 0.00 C ATOM 170 CD1 LEU A 8 5.777 25.457 18.874 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.031 26.066 16.397 1.00 0.00 C ATOM 0 H LEU A 8 8.205 23.312 16.451 1.00 0.00 H new ATOM 0 HA LEU A 8 8.764 26.030 15.818 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.418 24.671 18.525 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.244 26.384 18.197 1.00 0.00 H new ATOM 0 HG LEU A 8 6.391 24.154 17.278 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.711 25.313 18.699 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.115 24.763 19.643 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.956 26.480 19.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.960 25.902 16.276 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.215 27.117 16.618 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.546 25.794 15.476 1.00 0.00 H new ATOM 183 N THR A 9 11.189 24.269 17.116 1.00 0.00 N ATOM 184 CA THR A 9 12.632 24.246 17.429 1.00 0.00 C ATOM 185 C THR A 9 13.474 24.493 16.155 1.00 0.00 C ATOM 186 O THR A 9 14.665 24.805 16.242 1.00 0.00 O ATOM 187 CB THR A 9 13.036 22.891 18.106 1.00 0.00 C ATOM 188 OG1 THR A 9 12.620 21.789 17.288 1.00 0.00 O ATOM 189 CG2 THR A 9 12.414 22.741 19.513 1.00 0.00 C ATOM 0 H THR A 9 10.776 23.341 17.029 1.00 0.00 H new ATOM 0 HA THR A 9 12.837 25.051 18.134 1.00 0.00 H new ATOM 0 HB THR A 9 14.121 22.892 18.211 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.878 20.947 17.718 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.719 21.789 19.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.756 23.556 20.151 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.327 22.773 19.436 1.00 0.00 H new ATOM 197 N GLY A 10 12.837 24.354 14.973 1.00 0.00 N ATOM 198 CA GLY A 10 13.444 24.747 13.694 1.00 0.00 C ATOM 199 C GLY A 10 14.052 23.598 12.906 1.00 0.00 C ATOM 200 O GLY A 10 14.914 23.834 12.050 1.00 0.00 O ATOM 0 H GLY A 10 11.897 23.969 14.884 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.685 25.231 13.079 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.219 25.489 13.887 1.00 0.00 H new ATOM 204 N LYS A 11 13.621 22.358 13.186 1.00 0.00 N ATOM 205 CA LYS A 11 14.052 21.169 12.414 1.00 0.00 C ATOM 206 C LYS A 11 13.022 20.872 11.302 1.00 0.00 C ATOM 207 O LYS A 11 11.847 21.238 11.428 1.00 0.00 O ATOM 208 CB LYS A 11 14.253 19.920 13.334 1.00 0.00 C ATOM 209 CG LYS A 11 12.987 19.062 13.558 1.00 0.00 C ATOM 210 CD LYS A 11 13.207 17.772 14.387 1.00 0.00 C ATOM 211 CE LYS A 11 13.963 16.662 13.622 1.00 0.00 C ATOM 212 NZ LYS A 11 15.394 16.994 13.357 1.00 0.00 N ATOM 0 H LYS A 11 12.972 22.146 13.944 1.00 0.00 H new ATOM 0 HA LYS A 11 15.019 21.388 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.029 19.289 12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.621 20.257 14.303 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.236 19.673 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.577 18.786 12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.764 18.022 15.290 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.239 17.386 14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.913 15.737 14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.459 16.477 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.974 16.137 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.492 17.361 12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.714 17.715 14.035 1.00 0.00 H new ATOM 226 N THR A 12 13.476 20.229 10.218 1.00 0.00 N ATOM 227 CA THR A 12 12.597 19.737 9.140 1.00 0.00 C ATOM 228 C THR A 12 12.356 18.210 9.310 1.00 0.00 C ATOM 229 O THR A 12 13.252 17.473 9.745 1.00 0.00 O ATOM 230 CB THR A 12 13.235 20.016 7.743 1.00 0.00 C ATOM 231 OG1 THR A 12 13.595 21.397 7.628 1.00 0.00 O ATOM 232 CG2 THR A 12 12.294 19.648 6.575 1.00 0.00 C ATOM 0 H THR A 12 14.465 20.033 10.060 1.00 0.00 H new ATOM 0 HA THR A 12 11.645 20.264 9.202 1.00 0.00 H new ATOM 0 HB THR A 12 14.120 19.384 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.995 21.558 6.748 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.789 19.863 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.050 18.587 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.378 20.235 6.647 1.00 0.00 H new ATOM 240 N ILE A 13 11.132 17.769 8.974 1.00 0.00 N ATOM 241 CA ILE A 13 10.696 16.356 9.038 1.00 0.00 C ATOM 242 C ILE A 13 10.073 15.975 7.675 1.00 0.00 C ATOM 243 O ILE A 13 9.039 16.525 7.292 1.00 0.00 O ATOM 244 CB ILE A 13 9.643 16.112 10.203 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.211 16.545 11.604 1.00 0.00 C ATOM 246 CG2 ILE A 13 9.177 14.646 10.240 1.00 0.00 C ATOM 247 CD1 ILE A 13 9.882 17.976 11.987 1.00 0.00 C ATOM 0 H ILE A 13 10.399 18.396 8.642 1.00 0.00 H new ATOM 0 HA ILE A 13 11.563 15.732 9.254 1.00 0.00 H new ATOM 0 HB ILE A 13 8.779 16.740 9.985 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.816 15.875 12.368 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.294 16.420 11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.458 14.513 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.708 14.389 9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.035 13.996 10.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.308 18.198 12.965 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.301 18.657 11.246 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.800 18.103 12.025 1.00 0.00 H new ATOM 259 N THR A 14 10.717 15.051 6.950 1.00 0.00 N ATOM 260 CA THR A 14 10.263 14.596 5.622 1.00 0.00 C ATOM 261 C THR A 14 9.511 13.257 5.749 1.00 0.00 C ATOM 262 O THR A 14 10.066 12.291 6.271 1.00 0.00 O ATOM 263 CB THR A 14 11.484 14.451 4.655 1.00 0.00 C ATOM 264 OG1 THR A 14 12.160 15.719 4.567 1.00 0.00 O ATOM 265 CG2 THR A 14 11.067 13.974 3.245 1.00 0.00 C ATOM 0 H THR A 14 11.572 14.594 7.267 1.00 0.00 H new ATOM 0 HA THR A 14 9.581 15.338 5.208 1.00 0.00 H new ATOM 0 HB THR A 14 12.149 13.689 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.800 16.230 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.951 13.890 2.613 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.580 13.002 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.375 14.694 2.807 1.00 0.00 H new ATOM 273 N LEU A 15 8.236 13.227 5.297 1.00 0.00 N ATOM 274 CA LEU A 15 7.371 12.015 5.330 1.00 0.00 C ATOM 275 C LEU A 15 7.121 11.557 3.892 1.00 0.00 C ATOM 276 O LEU A 15 7.136 12.380 2.985 1.00 0.00 O ATOM 277 CB LEU A 15 5.993 12.286 6.025 1.00 0.00 C ATOM 278 CG LEU A 15 6.007 13.072 7.381 1.00 0.00 C ATOM 279 CD1 LEU A 15 7.057 12.519 8.360 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.198 14.584 7.163 1.00 0.00 C ATOM 0 H LEU A 15 7.773 14.043 4.897 1.00 0.00 H new ATOM 0 HA LEU A 15 7.886 11.248 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.366 12.836 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.509 11.325 6.199 1.00 0.00 H new ATOM 0 HG LEU A 15 5.028 12.923 7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.030 13.094 9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.838 11.473 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.048 12.597 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.202 15.093 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.146 14.761 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.381 14.970 6.553 1.00 0.00 H new ATOM 292 N GLU A 16 6.865 10.254 3.696 1.00 0.00 N ATOM 293 CA GLU A 16 6.638 9.670 2.353 1.00 0.00 C ATOM 294 C GLU A 16 5.195 9.119 2.278 1.00 0.00 C ATOM 295 O GLU A 16 4.977 7.908 2.411 1.00 0.00 O ATOM 296 CB GLU A 16 7.670 8.536 2.026 1.00 0.00 C ATOM 297 CG GLU A 16 9.166 8.892 2.233 1.00 0.00 C ATOM 298 CD GLU A 16 9.591 8.931 3.714 1.00 0.00 C ATOM 299 OE1 GLU A 16 9.405 7.909 4.418 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.104 9.968 4.191 1.00 0.00 O ATOM 0 H GLU A 16 6.809 9.575 4.455 1.00 0.00 H new ATOM 0 HA GLU A 16 6.777 10.455 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.435 7.670 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.530 8.234 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.781 8.162 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.366 9.863 1.780 1.00 0.00 H new ATOM 307 N VAL A 17 4.202 10.029 2.116 1.00 0.00 N ATOM 308 CA VAL A 17 2.758 9.669 2.088 1.00 0.00 C ATOM 309 C VAL A 17 2.020 10.492 1.013 1.00 0.00 C ATOM 310 O VAL A 17 2.594 11.384 0.382 1.00 0.00 O ATOM 311 CB VAL A 17 2.040 9.883 3.485 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.720 9.099 4.630 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.918 11.385 3.825 1.00 0.00 C ATOM 0 H VAL A 17 4.376 11.028 2.002 1.00 0.00 H new ATOM 0 HA VAL A 17 2.713 8.606 1.851 1.00 0.00 H new ATOM 0 HB VAL A 17 1.034 9.475 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.187 9.282 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.699 8.033 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.754 9.428 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.422 11.501 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.912 11.829 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.334 11.886 3.053 1.00 0.00 H new ATOM 323 N GLU A 18 0.722 10.215 0.863 1.00 0.00 N ATOM 324 CA GLU A 18 -0.122 10.798 -0.201 1.00 0.00 C ATOM 325 C GLU A 18 -0.796 12.084 0.315 1.00 0.00 C ATOM 326 O GLU A 18 -0.964 12.237 1.532 1.00 0.00 O ATOM 327 CB GLU A 18 -1.221 9.763 -0.611 1.00 0.00 C ATOM 328 CG GLU A 18 -0.755 8.313 -0.503 1.00 0.00 C ATOM 329 CD GLU A 18 -1.814 7.292 -0.922 1.00 0.00 C ATOM 330 OE1 GLU A 18 -2.049 7.142 -2.137 1.00 0.00 O ATOM 331 OE2 GLU A 18 -2.416 6.642 -0.043 1.00 0.00 O ATOM 0 H GLU A 18 0.217 9.576 1.477 1.00 0.00 H new ATOM 0 HA GLU A 18 0.498 11.039 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.097 9.904 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.533 9.962 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.131 8.179 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.457 8.112 0.526 1.00 0.00 H new ATOM 338 N PRO A 19 -1.220 13.022 -0.589 1.00 0.00 N ATOM 339 CA PRO A 19 -2.138 14.111 -0.199 1.00 0.00 C ATOM 340 C PRO A 19 -3.496 13.540 0.289 1.00 0.00 C ATOM 341 O PRO A 19 -4.084 14.044 1.242 1.00 0.00 O ATOM 342 CB PRO A 19 -2.275 14.973 -1.490 1.00 0.00 C ATOM 343 CG PRO A 19 -1.853 14.065 -2.606 1.00 0.00 C ATOM 344 CD PRO A 19 -0.816 13.126 -2.016 1.00 0.00 C ATOM 0 HA PRO A 19 -1.771 14.705 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.300 15.318 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.643 15.860 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.704 13.508 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.435 14.635 -3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.827 12.154 -2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.193 13.525 -2.120 1.00 0.00 H new ATOM 352 N SER A 20 -3.940 12.424 -0.321 1.00 0.00 N ATOM 353 CA SER A 20 -5.236 11.784 0.006 1.00 0.00 C ATOM 354 C SER A 20 -5.043 10.666 1.059 1.00 0.00 C ATOM 355 O SER A 20 -5.957 9.868 1.283 1.00 0.00 O ATOM 356 CB SER A 20 -5.880 11.230 -1.298 1.00 0.00 C ATOM 357 OG SER A 20 -7.223 10.789 -1.116 1.00 0.00 O ATOM 0 H SER A 20 -3.416 11.940 -1.051 1.00 0.00 H new ATOM 0 HA SER A 20 -5.907 12.525 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.859 12.005 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.279 10.400 -1.669 1.00 0.00 H new ATOM 0 HG SER A 20 -7.300 10.321 -0.258 1.00 0.00 H new ATOM 363 N ASP A 21 -3.857 10.634 1.716 1.00 0.00 N ATOM 364 CA ASP A 21 -3.531 9.638 2.758 1.00 0.00 C ATOM 365 C ASP A 21 -4.445 9.820 4.004 1.00 0.00 C ATOM 366 O ASP A 21 -5.578 9.325 3.993 1.00 0.00 O ATOM 367 CB ASP A 21 -2.010 9.733 3.076 1.00 0.00 C ATOM 368 CG ASP A 21 -1.530 8.909 4.275 1.00 0.00 C ATOM 369 OD1 ASP A 21 -1.709 7.671 4.274 1.00 0.00 O ATOM 370 OD2 ASP A 21 -0.954 9.504 5.210 1.00 0.00 O ATOM 0 H ASP A 21 -3.104 11.298 1.536 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.731 8.627 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.453 9.416 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.759 10.779 3.253 1.00 0.00 H new ATOM 375 N THR A 22 -3.958 10.550 5.036 1.00 0.00 N ATOM 376 CA THR A 22 -4.685 10.869 6.283 1.00 0.00 C ATOM 377 C THR A 22 -3.695 11.477 7.273 1.00 0.00 C ATOM 378 O THR A 22 -2.569 10.989 7.407 1.00 0.00 O ATOM 379 CB THR A 22 -5.430 9.654 6.969 1.00 0.00 C ATOM 380 OG1 THR A 22 -6.047 10.079 8.199 1.00 0.00 O ATOM 381 CG2 THR A 22 -4.528 8.445 7.255 1.00 0.00 C ATOM 0 H THR A 22 -3.018 10.945 5.020 1.00 0.00 H new ATOM 0 HA THR A 22 -5.477 11.562 6.000 1.00 0.00 H new ATOM 0 HB THR A 22 -6.179 9.326 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.506 9.319 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.115 7.656 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.107 8.076 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.720 8.744 7.923 1.00 0.00 H new ATOM 389 N ILE A 23 -4.137 12.530 7.978 1.00 0.00 N ATOM 390 CA ILE A 23 -3.313 13.270 8.944 1.00 0.00 C ATOM 391 C ILE A 23 -2.848 12.348 10.095 1.00 0.00 C ATOM 392 O ILE A 23 -1.742 12.518 10.612 1.00 0.00 O ATOM 393 CB ILE A 23 -4.092 14.506 9.548 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.560 15.515 8.437 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.263 15.242 10.637 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.438 16.190 7.664 1.00 0.00 C ATOM 0 H ILE A 23 -5.086 12.894 7.892 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.442 13.638 8.401 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.984 14.098 10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.198 14.983 7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.174 16.286 8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.837 16.084 11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.037 14.552 11.450 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.333 15.607 10.202 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.863 16.866 6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.810 16.755 8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.835 15.433 7.162 1.00 0.00 H new ATOM 408 N GLU A 24 -3.709 11.381 10.483 1.00 0.00 N ATOM 409 CA GLU A 24 -3.395 10.400 11.547 1.00 0.00 C ATOM 410 C GLU A 24 -2.154 9.557 11.187 1.00 0.00 C ATOM 411 O GLU A 24 -1.324 9.220 12.049 1.00 0.00 O ATOM 412 CB GLU A 24 -4.625 9.494 11.826 1.00 0.00 C ATOM 413 CG GLU A 24 -4.442 8.473 12.980 1.00 0.00 C ATOM 414 CD GLU A 24 -3.910 9.103 14.291 1.00 0.00 C ATOM 415 OE1 GLU A 24 -4.539 10.041 14.824 1.00 0.00 O ATOM 416 OE2 GLU A 24 -2.851 8.668 14.788 1.00 0.00 O ATOM 0 H GLU A 24 -4.634 11.258 10.071 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.160 10.951 12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.480 10.130 12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.869 8.949 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.398 7.991 13.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.753 7.693 12.657 1.00 0.00 H new ATOM 423 N ASN A 25 -2.015 9.261 9.898 1.00 0.00 N ATOM 424 CA ASN A 25 -0.872 8.496 9.390 1.00 0.00 C ATOM 425 C ASN A 25 0.361 9.387 9.325 1.00 0.00 C ATOM 426 O ASN A 25 1.437 8.982 9.747 1.00 0.00 O ATOM 427 CB ASN A 25 -1.189 7.934 8.003 1.00 0.00 C ATOM 428 CG ASN A 25 -0.138 6.950 7.493 1.00 0.00 C ATOM 429 OD1 ASN A 25 0.762 7.418 6.642 1.00 0.00 O flip ATOM 430 ND2 ASN A 25 -0.153 5.770 7.844 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.683 9.540 9.179 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.673 7.665 10.067 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.158 7.436 8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.277 8.759 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.861 5.442 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.542 5.120 7.477 1.00 0.00 H new ATOM 437 N VAL A 26 0.159 10.618 8.819 1.00 0.00 N ATOM 438 CA VAL A 26 1.231 11.632 8.664 1.00 0.00 C ATOM 439 C VAL A 26 1.904 11.912 10.013 1.00 0.00 C ATOM 440 O VAL A 26 3.125 11.945 10.096 1.00 0.00 O ATOM 441 CB VAL A 26 0.687 12.988 8.061 1.00 0.00 C ATOM 442 CG1 VAL A 26 1.808 14.059 7.895 1.00 0.00 C ATOM 443 CG2 VAL A 26 -0.020 12.732 6.718 1.00 0.00 C ATOM 0 H VAL A 26 -0.755 10.943 8.503 1.00 0.00 H new ATOM 0 HA VAL A 26 1.958 11.218 7.966 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.033 13.390 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.381 14.971 7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.249 14.277 8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.578 13.679 7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.389 13.675 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.685 12.288 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.857 12.051 6.871 1.00 0.00 H new ATOM 453 N LYS A 27 1.085 12.054 11.069 1.00 0.00 N ATOM 454 CA LYS A 27 1.563 12.385 12.425 1.00 0.00 C ATOM 455 C LYS A 27 2.309 11.185 13.045 1.00 0.00 C ATOM 456 O LYS A 27 3.293 11.358 13.786 1.00 0.00 O ATOM 457 CB LYS A 27 0.379 12.850 13.318 1.00 0.00 C ATOM 458 CG LYS A 27 -0.609 11.760 13.770 1.00 0.00 C ATOM 459 CD LYS A 27 -1.770 12.314 14.625 1.00 0.00 C ATOM 460 CE LYS A 27 -2.647 13.309 13.861 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.767 13.805 14.695 1.00 0.00 N ATOM 0 H LYS A 27 0.073 11.943 11.008 1.00 0.00 H new ATOM 0 HA LYS A 27 2.271 13.211 12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.790 13.328 14.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.179 13.613 12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.018 11.261 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.071 11.005 14.343 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.387 11.485 14.973 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.363 12.801 15.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.039 14.151 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.044 12.831 12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.505 14.206 14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.164 13.018 15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.418 14.540 15.343 1.00 0.00 H new ATOM 475 N ALA A 28 1.841 9.964 12.701 1.00 0.00 N ATOM 476 CA ALA A 28 2.537 8.712 13.039 1.00 0.00 C ATOM 477 C ALA A 28 3.914 8.643 12.342 1.00 0.00 C ATOM 478 O ALA A 28 4.866 8.074 12.888 1.00 0.00 O ATOM 479 CB ALA A 28 1.664 7.503 12.653 1.00 0.00 C ATOM 0 H ALA A 28 0.973 9.824 12.183 1.00 0.00 H new ATOM 0 HA ALA A 28 2.708 8.688 14.115 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.187 6.581 12.907 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.721 7.547 13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.466 7.525 11.581 1.00 0.00 H new ATOM 485 N LYS A 29 4.004 9.254 11.135 1.00 0.00 N ATOM 486 CA LYS A 29 5.258 9.320 10.369 1.00 0.00 C ATOM 487 C LYS A 29 6.247 10.315 11.023 1.00 0.00 C ATOM 488 O LYS A 29 7.446 10.082 10.973 1.00 0.00 O ATOM 489 CB LYS A 29 5.025 9.708 8.878 1.00 0.00 C ATOM 490 CG LYS A 29 4.072 8.822 8.038 1.00 0.00 C ATOM 491 CD LYS A 29 4.385 7.293 8.083 1.00 0.00 C ATOM 492 CE LYS A 29 3.465 6.521 9.051 1.00 0.00 C ATOM 493 NZ LYS A 29 3.780 5.073 9.085 1.00 0.00 N ATOM 0 H LYS A 29 3.215 9.708 10.675 1.00 0.00 H new ATOM 0 HA LYS A 29 5.687 8.318 10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.641 10.728 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.995 9.721 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.051 8.979 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.109 9.155 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.282 6.876 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.423 7.148 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.564 6.937 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.426 6.659 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.138 4.594 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.660 4.669 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.763 4.939 9.397 1.00 0.00 H new ATOM 507 N ILE A 30 5.747 11.436 11.609 1.00 0.00 N ATOM 508 CA ILE A 30 6.589 12.354 12.424 1.00 0.00 C ATOM 509 C ILE A 30 7.281 11.569 13.571 1.00 0.00 C ATOM 510 O ILE A 30 8.483 11.738 13.818 1.00 0.00 O ATOM 511 CB ILE A 30 5.768 13.599 12.999 1.00 0.00 C ATOM 512 CG1 ILE A 30 5.587 14.740 11.928 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.405 14.180 14.285 1.00 0.00 C ATOM 514 CD1 ILE A 30 4.544 14.491 10.859 1.00 0.00 C ATOM 0 H ILE A 30 4.772 11.724 11.533 1.00 0.00 H new ATOM 0 HA ILE A 30 7.350 12.767 11.762 1.00 0.00 H new ATOM 0 HB ILE A 30 4.782 13.209 13.253 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.331 15.662 12.449 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.547 14.907 11.439 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.811 15.023 14.636 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.434 13.410 15.056 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.419 14.516 14.069 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.509 15.343 10.180 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.803 13.592 10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.568 14.359 11.326 1.00 0.00 H new ATOM 526 N GLN A 31 6.510 10.686 14.235 1.00 0.00 N ATOM 527 CA GLN A 31 7.038 9.797 15.294 1.00 0.00 C ATOM 528 C GLN A 31 8.056 8.778 14.719 1.00 0.00 C ATOM 529 O GLN A 31 8.977 8.346 15.418 1.00 0.00 O ATOM 530 CB GLN A 31 5.868 9.069 16.010 1.00 0.00 C ATOM 531 CG GLN A 31 6.302 8.163 17.187 1.00 0.00 C ATOM 532 CD GLN A 31 5.145 7.516 17.955 1.00 0.00 C ATOM 533 OE1 GLN A 31 5.261 7.263 19.151 1.00 0.00 O ATOM 534 NE2 GLN A 31 4.031 7.225 17.288 1.00 0.00 N ATOM 0 H GLN A 31 5.513 10.567 14.057 1.00 0.00 H new ATOM 0 HA GLN A 31 7.567 10.410 16.024 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.166 9.815 16.382 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.332 8.463 15.279 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.950 7.376 16.802 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.897 8.754 17.883 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.959 7.445 16.295 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.249 6.782 17.770 1.00 0.00 H new ATOM 543 N ASP A 32 7.878 8.413 13.439 1.00 0.00 N ATOM 544 CA ASP A 32 8.819 7.531 12.709 1.00 0.00 C ATOM 545 C ASP A 32 10.152 8.262 12.404 1.00 0.00 C ATOM 546 O ASP A 32 11.196 7.611 12.274 1.00 0.00 O ATOM 547 CB ASP A 32 8.142 7.015 11.402 1.00 0.00 C ATOM 548 CG ASP A 32 9.026 6.091 10.535 1.00 0.00 C ATOM 549 OD1 ASP A 32 9.088 4.875 10.819 1.00 0.00 O ATOM 550 OD2 ASP A 32 9.666 6.581 9.566 1.00 0.00 O ATOM 0 H ASP A 32 7.082 8.717 12.878 1.00 0.00 H new ATOM 0 HA ASP A 32 9.062 6.676 13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.232 6.478 11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.841 7.874 10.802 1.00 0.00 H new ATOM 555 N LYS A 33 10.123 9.620 12.311 1.00 0.00 N ATOM 556 CA LYS A 33 11.321 10.409 11.926 1.00 0.00 C ATOM 557 C LYS A 33 12.018 11.001 13.164 1.00 0.00 C ATOM 558 O LYS A 33 13.114 10.564 13.523 1.00 0.00 O ATOM 559 CB LYS A 33 10.958 11.560 10.939 1.00 0.00 C ATOM 560 CG LYS A 33 10.103 11.153 9.723 1.00 0.00 C ATOM 561 CD LYS A 33 10.720 10.031 8.876 1.00 0.00 C ATOM 562 CE LYS A 33 9.744 9.487 7.814 1.00 0.00 C ATOM 563 NZ LYS A 33 10.293 8.291 7.130 1.00 0.00 N ATOM 0 H LYS A 33 9.293 10.183 12.495 1.00 0.00 H new ATOM 0 HA LYS A 33 12.003 9.721 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.425 12.333 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.883 12.008 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.121 10.833 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.947 12.028 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.617 10.404 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.031 9.216 9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.795 9.233 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.536 10.264 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.861 8.201 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.323 8.390 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.080 7.442 7.691 1.00 0.00 H new ATOM 577 N GLU A 34 11.365 11.982 13.832 1.00 0.00 N ATOM 578 CA GLU A 34 11.975 12.705 14.971 1.00 0.00 C ATOM 579 C GLU A 34 11.777 11.950 16.301 1.00 0.00 C ATOM 580 O GLU A 34 12.521 12.177 17.264 1.00 0.00 O ATOM 581 CB GLU A 34 11.461 14.168 15.064 1.00 0.00 C ATOM 582 CG GLU A 34 9.957 14.344 15.354 1.00 0.00 C ATOM 583 CD GLU A 34 9.565 15.830 15.543 1.00 0.00 C ATOM 584 OE1 GLU A 34 10.078 16.464 16.488 1.00 0.00 O ATOM 585 OE2 GLU A 34 8.765 16.366 14.755 1.00 0.00 O ATOM 0 H GLU A 34 10.420 12.289 13.602 1.00 0.00 H new ATOM 0 HA GLU A 34 13.048 12.749 14.783 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.023 14.679 15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.690 14.672 14.125 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.379 13.920 14.533 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.694 13.784 16.252 1.00 0.00 H new ATOM 592 N GLY A 35 10.771 11.057 16.347 1.00 0.00 N ATOM 593 CA GLY A 35 10.591 10.135 17.475 1.00 0.00 C ATOM 594 C GLY A 35 9.625 10.629 18.538 1.00 0.00 C ATOM 595 O GLY A 35 9.586 10.071 19.644 1.00 0.00 O ATOM 0 H GLY A 35 10.071 10.957 15.612 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.235 9.178 17.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.561 9.953 17.938 1.00 0.00 H new ATOM 599 N ILE A 36 8.838 11.668 18.217 1.00 0.00 N ATOM 600 CA ILE A 36 7.898 12.287 19.180 1.00 0.00 C ATOM 601 C ILE A 36 6.462 11.757 18.914 1.00 0.00 C ATOM 602 O ILE A 36 6.001 11.820 17.772 1.00 0.00 O ATOM 603 CB ILE A 36 7.953 13.882 19.140 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.262 14.441 19.811 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.721 14.509 19.834 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.557 14.181 19.070 1.00 0.00 C ATOM 0 H ILE A 36 8.830 12.103 17.294 1.00 0.00 H new ATOM 0 HA ILE A 36 8.202 12.001 20.187 1.00 0.00 H new ATOM 0 HB ILE A 36 7.952 14.161 18.086 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.150 15.518 19.937 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.346 14.011 20.809 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.791 15.596 19.788 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.813 14.183 19.328 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.689 14.191 20.876 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.388 14.612 19.628 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.708 13.106 18.967 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.508 14.637 18.081 1.00 0.00 H new ATOM 618 N PRO A 37 5.739 11.224 19.972 1.00 0.00 N ATOM 619 CA PRO A 37 4.395 10.599 19.806 1.00 0.00 C ATOM 620 C PRO A 37 3.294 11.623 19.422 1.00 0.00 C ATOM 621 O PRO A 37 3.430 12.799 19.774 1.00 0.00 O ATOM 622 CB PRO A 37 4.128 9.966 21.206 1.00 0.00 C ATOM 623 CG PRO A 37 4.911 10.820 22.158 1.00 0.00 C ATOM 624 CD PRO A 37 6.171 11.198 21.408 1.00 0.00 C ATOM 0 HA PRO A 37 4.373 9.877 18.989 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.065 9.972 21.449 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.457 8.927 21.242 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.346 11.705 22.449 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.146 10.276 23.073 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.552 12.168 21.729 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.968 10.472 21.573 1.00 0.00 H new ATOM 632 N PRO A 38 2.177 11.173 18.726 1.00 0.00 N ATOM 633 CA PRO A 38 1.040 12.052 18.292 1.00 0.00 C ATOM 634 C PRO A 38 0.382 12.871 19.423 1.00 0.00 C ATOM 635 O PRO A 38 -0.382 13.807 19.148 1.00 0.00 O ATOM 636 CB PRO A 38 0.027 11.057 17.640 1.00 0.00 C ATOM 637 CG PRO A 38 0.453 9.702 18.116 1.00 0.00 C ATOM 638 CD PRO A 38 1.954 9.777 18.264 1.00 0.00 C ATOM 0 HA PRO A 38 1.396 12.828 17.614 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.996 11.279 17.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.056 11.120 16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.022 9.452 19.065 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.168 8.928 17.403 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.325 9.049 18.986 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.463 9.578 17.321 1.00 0.00 H new ATOM 646 N ASP A 39 0.666 12.499 20.678 1.00 0.00 N ATOM 647 CA ASP A 39 0.235 13.264 21.855 1.00 0.00 C ATOM 648 C ASP A 39 1.052 14.568 21.975 1.00 0.00 C ATOM 649 O ASP A 39 0.490 15.654 22.121 1.00 0.00 O ATOM 650 CB ASP A 39 0.395 12.394 23.132 1.00 0.00 C ATOM 651 CG ASP A 39 -0.105 13.063 24.433 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.121 13.797 24.403 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.485 12.813 25.504 1.00 0.00 O ATOM 0 H ASP A 39 1.200 11.660 20.906 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.816 13.532 21.744 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.146 11.459 22.989 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.448 12.138 23.252 1.00 0.00 H new ATOM 658 N GLN A 40 2.380 14.433 21.865 1.00 0.00 N ATOM 659 CA GLN A 40 3.347 15.522 22.131 1.00 0.00 C ATOM 660 C GLN A 40 3.648 16.382 20.886 1.00 0.00 C ATOM 661 O GLN A 40 4.119 17.507 21.019 1.00 0.00 O ATOM 662 CB GLN A 40 4.660 14.922 22.730 1.00 0.00 C ATOM 663 CG GLN A 40 4.728 14.866 24.268 1.00 0.00 C ATOM 664 CD GLN A 40 3.491 14.279 24.939 1.00 0.00 C ATOM 665 OE1 GLN A 40 2.578 15.011 25.322 1.00 0.00 O ATOM 666 NE2 GLN A 40 3.448 12.968 25.076 1.00 0.00 N ATOM 0 H GLN A 40 2.824 13.558 21.586 1.00 0.00 H new ATOM 0 HA GLN A 40 2.889 16.196 22.855 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.786 13.911 22.342 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.504 15.509 22.368 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.597 14.276 24.559 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.887 15.875 24.648 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.225 12.395 24.746 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.638 12.527 25.512 1.00 0.00 H new ATOM 675 N GLN A 41 3.431 15.840 19.692 1.00 0.00 N ATOM 676 CA GLN A 41 3.579 16.605 18.431 1.00 0.00 C ATOM 677 C GLN A 41 2.180 17.030 17.916 1.00 0.00 C ATOM 678 O GLN A 41 1.279 16.196 17.753 1.00 0.00 O ATOM 679 CB GLN A 41 4.394 15.779 17.391 1.00 0.00 C ATOM 680 CG GLN A 41 3.864 14.362 17.061 1.00 0.00 C ATOM 681 CD GLN A 41 2.997 14.269 15.809 1.00 0.00 C ATOM 682 OE1 GLN A 41 2.089 13.473 15.751 1.00 0.00 O ATOM 683 NE2 GLN A 41 3.309 15.042 14.780 1.00 0.00 N ATOM 0 H GLN A 41 3.150 14.869 19.557 1.00 0.00 H new ATOM 0 HA GLN A 41 4.146 17.519 18.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.440 16.350 16.464 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.416 15.683 17.758 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.715 13.691 16.945 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.286 14.000 17.912 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.080 15.705 14.856 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.778 14.974 13.912 1.00 0.00 H new ATOM 692 N ARG A 42 2.005 18.347 17.701 1.00 0.00 N ATOM 693 CA ARG A 42 0.705 18.969 17.368 1.00 0.00 C ATOM 694 C ARG A 42 0.766 19.505 15.931 1.00 0.00 C ATOM 695 O ARG A 42 1.703 20.229 15.574 1.00 0.00 O ATOM 696 CB ARG A 42 0.418 20.118 18.378 1.00 0.00 C ATOM 697 CG ARG A 42 -1.051 20.580 18.491 1.00 0.00 C ATOM 698 CD ARG A 42 -1.213 21.709 19.537 1.00 0.00 C ATOM 699 NE ARG A 42 -2.629 21.994 19.845 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.085 22.491 21.012 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.241 22.853 21.973 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.393 22.633 21.211 1.00 0.00 N ATOM 0 H ARG A 42 2.770 19.019 17.754 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.100 18.238 17.436 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.752 19.797 19.365 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.026 20.978 18.099 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.399 20.931 17.519 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.679 19.733 18.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.694 21.428 20.454 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.735 22.616 19.166 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.316 21.799 19.117 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.235 22.756 21.832 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.599 23.228 22.852 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.052 22.366 20.480 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.737 23.009 22.095 1.00 0.00 H new ATOM 716 N LEU A 43 -0.244 19.161 15.126 1.00 0.00 N ATOM 717 CA LEU A 43 -0.251 19.421 13.674 1.00 0.00 C ATOM 718 C LEU A 43 -0.981 20.728 13.367 1.00 0.00 C ATOM 719 O LEU A 43 -2.168 20.857 13.680 1.00 0.00 O ATOM 720 CB LEU A 43 -0.917 18.231 12.916 1.00 0.00 C ATOM 721 CG LEU A 43 -0.020 16.983 12.658 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.198 17.368 11.784 1.00 0.00 C ATOM 723 CD2 LEU A 43 0.407 16.310 13.982 1.00 0.00 C ATOM 0 H LEU A 43 -1.086 18.692 15.460 1.00 0.00 H new ATOM 0 HA LEU A 43 0.780 19.517 13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.791 17.912 13.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.277 18.597 11.955 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.605 16.246 12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.816 16.486 11.612 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.851 17.760 10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.787 18.129 12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.031 15.443 13.765 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.971 17.021 14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.479 15.990 14.530 1.00 0.00 H new ATOM 735 N ILE A 44 -0.255 21.701 12.762 1.00 0.00 N ATOM 736 CA ILE A 44 -0.816 23.009 12.359 1.00 0.00 C ATOM 737 C ILE A 44 -0.224 23.435 10.997 1.00 0.00 C ATOM 738 O ILE A 44 0.992 23.444 10.823 1.00 0.00 O ATOM 739 CB ILE A 44 -0.549 24.137 13.453 1.00 0.00 C ATOM 740 CG1 ILE A 44 -1.215 23.741 14.820 1.00 0.00 C ATOM 741 CG2 ILE A 44 -1.053 25.533 12.979 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.826 24.581 16.013 1.00 0.00 C ATOM 0 H ILE A 44 0.735 21.598 12.541 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.896 22.894 12.269 1.00 0.00 H new ATOM 0 HB ILE A 44 0.529 24.212 13.595 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.297 23.792 14.702 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.966 22.702 15.035 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.853 26.274 13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.534 25.815 12.063 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.125 25.488 12.789 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.346 24.217 16.899 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.250 24.513 16.170 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.102 25.620 15.832 1.00 0.00 H new ATOM 754 N PHE A 45 -1.105 23.774 10.045 1.00 0.00 N ATOM 755 CA PHE A 45 -0.744 24.266 8.701 1.00 0.00 C ATOM 756 C PHE A 45 -1.522 25.550 8.432 1.00 0.00 C ATOM 757 O PHE A 45 -2.741 25.553 8.575 1.00 0.00 O ATOM 758 CB PHE A 45 -1.098 23.188 7.640 1.00 0.00 C ATOM 759 CG PHE A 45 -0.948 23.607 6.167 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.288 23.546 5.527 1.00 0.00 C ATOM 761 CD2 PHE A 45 -2.052 24.036 5.417 1.00 0.00 C ATOM 762 CE1 PHE A 45 0.424 23.895 4.198 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.914 24.381 4.090 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.677 24.310 3.480 1.00 0.00 C ATOM 0 H PHE A 45 -2.113 23.713 10.188 1.00 0.00 H new ATOM 0 HA PHE A 45 0.326 24.468 8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.467 22.316 7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.129 22.873 7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.156 23.220 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.023 24.097 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.392 23.843 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.775 24.708 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.572 24.580 2.440 1.00 0.00 H new ATOM 774 N ALA A 46 -0.808 26.631 8.074 1.00 0.00 N ATOM 775 CA ALA A 46 -1.407 27.917 7.638 1.00 0.00 C ATOM 776 C ALA A 46 -2.280 28.591 8.731 1.00 0.00 C ATOM 777 O ALA A 46 -3.096 29.473 8.419 1.00 0.00 O ATOM 778 CB ALA A 46 -2.209 27.717 6.331 1.00 0.00 C ATOM 0 H ALA A 46 0.212 26.643 8.077 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.580 28.603 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.643 28.668 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.544 27.350 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.005 26.992 6.500 1.00 0.00 H new ATOM 784 N GLY A 47 -2.092 28.178 10.005 1.00 0.00 N ATOM 785 CA GLY A 47 -2.817 28.771 11.133 1.00 0.00 C ATOM 786 C GLY A 47 -4.033 27.956 11.584 1.00 0.00 C ATOM 787 O GLY A 47 -4.787 28.404 12.459 1.00 0.00 O ATOM 0 H GLY A 47 -1.443 27.437 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.133 28.881 11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.145 29.773 10.855 1.00 0.00 H new ATOM 791 N LYS A 48 -4.234 26.767 10.987 1.00 0.00 N ATOM 792 CA LYS A 48 -5.342 25.848 11.350 1.00 0.00 C ATOM 793 C LYS A 48 -4.756 24.521 11.874 1.00 0.00 C ATOM 794 O LYS A 48 -3.685 24.095 11.433 1.00 0.00 O ATOM 795 CB LYS A 48 -6.249 25.607 10.102 1.00 0.00 C ATOM 796 CG LYS A 48 -5.698 24.581 9.068 1.00 0.00 C ATOM 797 CD LYS A 48 -6.223 24.786 7.634 1.00 0.00 C ATOM 798 CE LYS A 48 -5.660 26.037 6.961 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.100 26.129 5.548 1.00 0.00 N ATOM 0 H LYS A 48 -3.637 26.412 10.240 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.952 26.291 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.226 25.265 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.404 26.560 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.610 24.642 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.957 23.575 9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.970 23.913 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.311 24.852 7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.986 26.924 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.571 26.018 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.703 26.988 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.768 25.293 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.138 26.171 5.510 1.00 0.00 H new ATOM 813 N GLN A 49 -5.454 23.887 12.825 1.00 0.00 N ATOM 814 CA GLN A 49 -5.068 22.562 13.358 1.00 0.00 C ATOM 815 C GLN A 49 -5.534 21.452 12.397 1.00 0.00 C ATOM 816 O GLN A 49 -6.634 21.528 11.833 1.00 0.00 O ATOM 817 CB GLN A 49 -5.651 22.378 14.790 1.00 0.00 C ATOM 818 CG GLN A 49 -5.381 21.009 15.489 1.00 0.00 C ATOM 819 CD GLN A 49 -6.431 19.922 15.182 1.00 0.00 C ATOM 820 OE1 GLN A 49 -7.592 20.211 14.905 1.00 0.00 O ATOM 821 NE2 GLN A 49 -6.037 18.666 15.238 1.00 0.00 N ATOM 0 H GLN A 49 -6.299 24.271 13.249 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.983 22.496 13.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.250 23.168 15.424 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.730 22.527 14.739 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.399 20.646 15.184 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.342 21.166 16.567 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.069 18.445 15.470 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.700 17.915 15.050 1.00 0.00 H new ATOM 830 N LEU A 50 -4.686 20.420 12.219 1.00 0.00 N ATOM 831 CA LEU A 50 -4.952 19.322 11.285 1.00 0.00 C ATOM 832 C LEU A 50 -5.610 18.129 12.013 1.00 0.00 C ATOM 833 O LEU A 50 -4.977 17.498 12.875 1.00 0.00 O ATOM 834 CB LEU A 50 -3.650 18.874 10.584 1.00 0.00 C ATOM 835 CG LEU A 50 -2.756 20.000 9.963 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.586 19.387 9.174 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.581 20.980 9.096 1.00 0.00 C ATOM 0 H LEU A 50 -3.802 20.329 12.719 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.645 19.685 10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.048 18.323 11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.915 18.175 9.791 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.340 20.586 10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.976 20.184 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.976 18.779 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.977 18.763 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.922 21.745 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.056 20.434 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.347 21.453 9.710 1.00 0.00 H new ATOM 849 N GLU A 51 -6.869 17.828 11.647 1.00 0.00 N ATOM 850 CA GLU A 51 -7.661 16.755 12.261 1.00 0.00 C ATOM 851 C GLU A 51 -7.220 15.392 11.714 1.00 0.00 C ATOM 852 O GLU A 51 -7.033 15.242 10.504 1.00 0.00 O ATOM 853 CB GLU A 51 -9.165 16.990 11.967 1.00 0.00 C ATOM 854 CG GLU A 51 -10.116 15.879 12.476 1.00 0.00 C ATOM 855 CD GLU A 51 -11.582 16.120 12.079 1.00 0.00 C ATOM 856 OE1 GLU A 51 -12.246 16.964 12.708 1.00 0.00 O ATOM 857 OE2 GLU A 51 -12.072 15.475 11.125 1.00 0.00 O ATOM 0 H GLU A 51 -7.366 18.329 10.911 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.501 16.762 13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.464 17.937 12.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.297 17.094 10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.790 14.918 12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.044 15.815 13.562 1.00 0.00 H new ATOM 864 N ASP A 52 -7.141 14.404 12.614 1.00 0.00 N ATOM 865 CA ASP A 52 -6.650 13.042 12.321 1.00 0.00 C ATOM 866 C ASP A 52 -7.476 12.341 11.215 1.00 0.00 C ATOM 867 O ASP A 52 -6.911 11.656 10.346 1.00 0.00 O ATOM 868 CB ASP A 52 -6.677 12.203 13.622 1.00 0.00 C ATOM 869 CG ASP A 52 -8.102 11.937 14.149 1.00 0.00 C ATOM 870 OD1 ASP A 52 -8.833 12.912 14.437 1.00 0.00 O ATOM 871 OD2 ASP A 52 -8.519 10.762 14.233 1.00 0.00 O ATOM 0 H ASP A 52 -7.421 14.526 13.587 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.630 13.126 11.947 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.180 11.250 13.441 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.104 12.720 14.391 1.00 0.00 H new ATOM 876 N GLY A 53 -8.812 12.553 11.265 1.00 0.00 N ATOM 877 CA GLY A 53 -9.762 11.919 10.348 1.00 0.00 C ATOM 878 C GLY A 53 -9.752 12.527 8.955 1.00 0.00 C ATOM 879 O GLY A 53 -10.250 11.917 8.006 1.00 0.00 O ATOM 0 H GLY A 53 -9.253 13.171 11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.531 10.856 10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.766 11.999 10.764 1.00 0.00 H new ATOM 883 N ARG A 54 -9.206 13.744 8.834 1.00 0.00 N ATOM 884 CA ARG A 54 -9.033 14.430 7.546 1.00 0.00 C ATOM 885 C ARG A 54 -7.721 14.023 6.872 1.00 0.00 C ATOM 886 O ARG A 54 -6.940 13.238 7.422 1.00 0.00 O ATOM 887 CB ARG A 54 -9.100 15.954 7.768 1.00 0.00 C ATOM 888 CG ARG A 54 -10.478 16.417 8.279 1.00 0.00 C ATOM 889 CD ARG A 54 -10.572 17.925 8.476 1.00 0.00 C ATOM 890 NE ARG A 54 -11.907 18.331 8.934 1.00 0.00 N ATOM 891 CZ ARG A 54 -12.251 19.556 9.345 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.357 20.527 9.460 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.507 19.807 9.640 1.00 0.00 N ATOM 0 H ARG A 54 -8.870 14.284 9.631 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.839 14.134 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.333 16.247 8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.873 16.464 6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.245 16.101 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.693 15.920 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.825 18.244 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.340 18.430 7.538 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.635 17.617 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.379 20.349 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.647 21.452 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.208 19.071 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.781 20.738 9.955 1.00 0.00 H new ATOM 907 N THR A 55 -7.508 14.554 5.663 1.00 0.00 N ATOM 908 CA THR A 55 -6.319 14.276 4.844 1.00 0.00 C ATOM 909 C THR A 55 -5.518 15.559 4.650 1.00 0.00 C ATOM 910 O THR A 55 -6.012 16.662 4.949 1.00 0.00 O ATOM 911 CB THR A 55 -6.712 13.702 3.441 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.596 14.616 2.763 1.00 0.00 O ATOM 913 CG2 THR A 55 -7.367 12.317 3.551 1.00 0.00 C ATOM 0 H THR A 55 -8.163 15.197 5.219 1.00 0.00 H new ATOM 0 HA THR A 55 -5.719 13.531 5.367 1.00 0.00 H new ATOM 0 HB THR A 55 -5.795 13.587 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.835 14.250 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.624 11.956 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.671 11.622 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.271 12.389 4.155 1.00 0.00 H new ATOM 921 N LEU A 56 -4.291 15.398 4.129 1.00 0.00 N ATOM 922 CA LEU A 56 -3.432 16.526 3.747 1.00 0.00 C ATOM 923 C LEU A 56 -4.178 17.429 2.735 1.00 0.00 C ATOM 924 O LEU A 56 -4.322 18.633 2.951 1.00 0.00 O ATOM 925 CB LEU A 56 -2.086 16.019 3.143 1.00 0.00 C ATOM 926 CG LEU A 56 -1.101 15.297 4.119 1.00 0.00 C ATOM 927 CD1 LEU A 56 0.146 14.768 3.367 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.675 16.229 5.284 1.00 0.00 C ATOM 0 H LEU A 56 -3.869 14.484 3.962 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.199 17.108 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.317 15.335 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.567 16.872 2.707 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.632 14.445 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.812 14.271 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.165 14.059 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.670 15.602 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.010 15.697 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.178 17.111 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.557 16.535 5.846 1.00 0.00 H new ATOM 940 N SER A 57 -4.731 16.783 1.689 1.00 0.00 N ATOM 941 CA SER A 57 -5.406 17.446 0.560 1.00 0.00 C ATOM 942 C SER A 57 -6.661 18.200 1.018 1.00 0.00 C ATOM 943 O SER A 57 -7.062 19.181 0.376 1.00 0.00 O ATOM 944 CB SER A 57 -5.778 16.397 -0.519 1.00 0.00 C ATOM 945 OG SER A 57 -6.383 16.989 -1.667 1.00 0.00 O ATOM 0 H SER A 57 -4.720 15.766 1.606 1.00 0.00 H new ATOM 0 HA SER A 57 -4.717 18.176 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.881 15.858 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.461 15.664 -0.089 1.00 0.00 H new ATOM 0 HG SER A 57 -6.599 16.291 -2.320 1.00 0.00 H new ATOM 951 N ASP A 58 -7.266 17.745 2.141 1.00 0.00 N ATOM 952 CA ASP A 58 -8.446 18.403 2.725 1.00 0.00 C ATOM 953 C ASP A 58 -8.064 19.806 3.216 1.00 0.00 C ATOM 954 O ASP A 58 -8.791 20.786 3.006 1.00 0.00 O ATOM 955 CB ASP A 58 -9.013 17.563 3.897 1.00 0.00 C ATOM 956 CG ASP A 58 -10.273 18.187 4.520 1.00 0.00 C ATOM 957 OD1 ASP A 58 -11.388 17.913 4.030 1.00 0.00 O ATOM 958 OD2 ASP A 58 -10.155 18.986 5.469 1.00 0.00 O ATOM 0 H ASP A 58 -6.951 16.923 2.657 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.217 18.488 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.248 16.560 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.248 17.456 4.666 1.00 0.00 H new ATOM 963 N TYR A 59 -6.879 19.883 3.842 1.00 0.00 N ATOM 964 CA TYR A 59 -6.341 21.126 4.395 1.00 0.00 C ATOM 965 C TYR A 59 -5.485 21.900 3.357 1.00 0.00 C ATOM 966 O TYR A 59 -4.745 22.812 3.739 1.00 0.00 O ATOM 967 CB TYR A 59 -5.516 20.799 5.660 1.00 0.00 C ATOM 968 CG TYR A 59 -6.375 20.491 6.883 1.00 0.00 C ATOM 969 CD1 TYR A 59 -7.152 21.496 7.453 1.00 0.00 C ATOM 970 CD2 TYR A 59 -6.402 19.234 7.482 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.920 21.274 8.561 1.00 0.00 C ATOM 972 CE2 TYR A 59 -7.172 19.010 8.600 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.923 20.040 9.139 1.00 0.00 C ATOM 974 OH TYR A 59 -8.693 19.830 10.263 1.00 0.00 O ATOM 0 H TYR A 59 -6.268 19.078 3.977 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.173 21.778 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.872 19.944 5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.864 21.642 5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.147 22.479 7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.814 18.429 7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.520 22.070 8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.190 18.031 9.057 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.282 20.281 11.030 1.00 0.00 H new ATOM 984 N ASN A 60 -5.610 21.520 2.053 1.00 0.00 N ATOM 985 CA ASN A 60 -4.906 22.161 0.900 1.00 0.00 C ATOM 986 C ASN A 60 -3.395 21.845 0.884 1.00 0.00 C ATOM 987 O ASN A 60 -2.629 22.478 0.149 1.00 0.00 O ATOM 988 CB ASN A 60 -5.149 23.705 0.849 1.00 0.00 C ATOM 989 CG ASN A 60 -6.620 24.081 0.643 1.00 0.00 C ATOM 990 OD1 ASN A 60 -7.067 24.307 -0.481 1.00 0.00 O ATOM 991 ND2 ASN A 60 -7.386 24.130 1.722 1.00 0.00 N ATOM 0 H ASN A 60 -6.212 20.748 1.768 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.341 21.724 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.793 24.153 1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.555 24.133 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.376 24.360 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.986 23.938 2.640 1.00 0.00 H new ATOM 998 N ILE A 61 -2.985 20.839 1.667 1.00 0.00 N ATOM 999 CA ILE A 61 -1.592 20.361 1.725 1.00 0.00 C ATOM 1000 C ILE A 61 -1.382 19.315 0.615 1.00 0.00 C ATOM 1001 O ILE A 61 -2.091 18.307 0.565 1.00 0.00 O ATOM 1002 CB ILE A 61 -1.274 19.689 3.117 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.841 20.540 4.293 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.248 19.427 3.300 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -2.048 19.774 5.588 1.00 0.00 C ATOM 0 H ILE A 61 -3.615 20.327 2.285 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.928 21.215 1.592 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.773 18.720 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.162 21.371 4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.794 20.971 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.423 18.964 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.600 18.762 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.789 20.372 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.445 20.446 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.753 18.960 5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.095 19.366 5.926 1.00 0.00 H new ATOM 1017 N GLN A 62 -0.434 19.570 -0.271 1.00 0.00 N ATOM 1018 CA GLN A 62 -0.005 18.597 -1.294 1.00 0.00 C ATOM 1019 C GLN A 62 1.449 18.203 -1.019 1.00 0.00 C ATOM 1020 O GLN A 62 2.011 18.583 0.023 1.00 0.00 O ATOM 1021 CB GLN A 62 -0.163 19.199 -2.718 1.00 0.00 C ATOM 1022 CG GLN A 62 0.693 20.451 -2.995 1.00 0.00 C ATOM 1023 CD GLN A 62 0.666 20.882 -4.460 1.00 0.00 C ATOM 1024 OE1 GLN A 62 -0.165 21.695 -4.871 1.00 0.00 O ATOM 1025 NE2 GLN A 62 1.559 20.314 -5.261 1.00 0.00 N ATOM 0 H GLN A 62 0.069 20.457 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.633 17.707 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.093 18.433 -3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.212 19.452 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.336 21.273 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.723 20.252 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.231 19.646 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.574 20.546 -6.254 1.00 0.00 H new ATOM 1034 N LYS A 63 2.052 17.440 -1.946 1.00 0.00 N ATOM 1035 CA LYS A 63 3.491 17.131 -1.895 1.00 0.00 C ATOM 1036 C LYS A 63 4.330 18.426 -1.888 1.00 0.00 C ATOM 1037 O LYS A 63 3.941 19.437 -2.501 1.00 0.00 O ATOM 1038 CB LYS A 63 3.917 16.232 -3.075 1.00 0.00 C ATOM 1039 CG LYS A 63 3.656 16.826 -4.478 1.00 0.00 C ATOM 1040 CD LYS A 63 4.338 16.018 -5.603 1.00 0.00 C ATOM 1041 CE LYS A 63 5.871 16.064 -5.508 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.506 15.332 -6.624 1.00 0.00 N ATOM 0 H LYS A 63 1.565 17.025 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 63 3.675 16.587 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.981 16.016 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.390 15.281 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.582 16.859 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.016 17.855 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.004 14.981 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.024 16.410 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.206 17.101 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.191 15.632 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.540 15.383 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.205 14.337 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.220 15.760 -7.527 1.00 0.00 H new ATOM 1056 N GLU A 64 5.440 18.381 -1.126 1.00 0.00 N ATOM 1057 CA GLU A 64 6.431 19.467 -0.998 1.00 0.00 C ATOM 1058 C GLU A 64 5.892 20.660 -0.172 1.00 0.00 C ATOM 1059 O GLU A 64 6.615 21.643 0.025 1.00 0.00 O ATOM 1060 CB GLU A 64 6.966 19.944 -2.391 1.00 0.00 C ATOM 1061 CG GLU A 64 7.510 18.819 -3.307 1.00 0.00 C ATOM 1062 CD GLU A 64 8.697 18.058 -2.696 1.00 0.00 C ATOM 1063 OE1 GLU A 64 9.818 18.612 -2.684 1.00 0.00 O ATOM 1064 OE2 GLU A 64 8.528 16.905 -2.239 1.00 0.00 O ATOM 0 H GLU A 64 5.679 17.563 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 64 7.273 19.046 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.161 20.460 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.759 20.674 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.707 18.114 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.816 19.252 -4.259 1.00 0.00 H new ATOM 1071 N SER A 65 4.636 20.569 0.339 1.00 0.00 N ATOM 1072 CA SER A 65 4.042 21.639 1.161 1.00 0.00 C ATOM 1073 C SER A 65 4.640 21.616 2.575 1.00 0.00 C ATOM 1074 O SER A 65 4.804 20.539 3.169 1.00 0.00 O ATOM 1075 CB SER A 65 2.511 21.483 1.224 1.00 0.00 C ATOM 1076 OG SER A 65 1.936 21.504 -0.075 1.00 0.00 O ATOM 0 H SER A 65 4.023 19.767 0.193 1.00 0.00 H new ATOM 0 HA SER A 65 4.272 22.600 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.259 20.546 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.086 22.287 1.825 1.00 0.00 H new ATOM 0 HG SER A 65 1.193 22.143 -0.093 1.00 0.00 H new ATOM 1082 N THR A 66 4.988 22.805 3.096 1.00 0.00 N ATOM 1083 CA THR A 66 5.551 22.949 4.440 1.00 0.00 C ATOM 1084 C THR A 66 4.467 23.397 5.436 1.00 0.00 C ATOM 1085 O THR A 66 3.708 24.336 5.174 1.00 0.00 O ATOM 1086 CB THR A 66 6.751 23.945 4.445 1.00 0.00 C ATOM 1087 OG1 THR A 66 7.699 23.553 3.434 1.00 0.00 O ATOM 1088 CG2 THR A 66 7.470 23.990 5.813 1.00 0.00 C ATOM 0 H THR A 66 4.885 23.688 2.595 1.00 0.00 H new ATOM 0 HA THR A 66 5.925 21.974 4.753 1.00 0.00 H new ATOM 0 HB THR A 66 6.352 24.939 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.454 24.178 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.298 24.698 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.767 24.305 6.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.853 22.999 6.055 1.00 0.00 H new ATOM 1096 N LEU A 67 4.410 22.687 6.566 1.00 0.00 N ATOM 1097 CA LEU A 67 3.534 22.990 7.704 1.00 0.00 C ATOM 1098 C LEU A 67 4.392 23.126 8.958 1.00 0.00 C ATOM 1099 O LEU A 67 5.613 22.958 8.905 1.00 0.00 O ATOM 1100 CB LEU A 67 2.423 21.911 7.906 1.00 0.00 C ATOM 1101 CG LEU A 67 2.862 20.406 7.902 1.00 0.00 C ATOM 1102 CD1 LEU A 67 1.890 19.530 8.729 1.00 0.00 C ATOM 1103 CD2 LEU A 67 2.981 19.857 6.451 1.00 0.00 C ATOM 0 H LEU A 67 4.988 21.861 6.720 1.00 0.00 H new ATOM 0 HA LEU A 67 3.015 23.927 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.927 22.113 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.678 22.045 7.122 1.00 0.00 H new ATOM 0 HG LEU A 67 3.845 20.357 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.225 18.493 8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.872 19.881 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.888 19.598 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.287 18.811 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.016 19.938 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.724 20.436 5.903 1.00 0.00 H new ATOM 1115 N HIS A 68 3.753 23.491 10.073 1.00 0.00 N ATOM 1116 CA HIS A 68 4.426 23.664 11.373 1.00 0.00 C ATOM 1117 C HIS A 68 4.050 22.541 12.354 1.00 0.00 C ATOM 1118 O HIS A 68 2.965 21.944 12.269 1.00 0.00 O ATOM 1119 CB HIS A 68 4.101 25.054 11.958 1.00 0.00 C ATOM 1120 CG HIS A 68 4.615 26.178 11.092 1.00 0.00 C ATOM 1121 ND1 HIS A 68 3.834 26.850 10.176 1.00 0.00 N ATOM 1122 CD2 HIS A 68 5.859 26.711 10.979 1.00 0.00 C ATOM 1123 CE1 HIS A 68 4.571 27.740 9.540 1.00 0.00 C ATOM 1124 NE2 HIS A 68 5.800 27.675 10.008 1.00 0.00 N ATOM 0 H HIS A 68 2.751 23.677 10.104 1.00 0.00 H new ATOM 0 HA HIS A 68 5.502 23.601 11.213 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.022 25.153 12.074 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.537 25.137 12.953 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.732 26.428 11.548 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.225 28.409 8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.583 28.250 9.697 1.00 0.00 H new ATOM 1133 N LEU A 69 4.974 22.278 13.289 1.00 0.00 N ATOM 1134 CA LEU A 69 4.879 21.189 14.256 1.00 0.00 C ATOM 1135 C LEU A 69 5.172 21.760 15.637 1.00 0.00 C ATOM 1136 O LEU A 69 6.209 22.399 15.849 1.00 0.00 O ATOM 1137 CB LEU A 69 5.893 20.066 13.871 1.00 0.00 C ATOM 1138 CG LEU A 69 5.669 18.634 14.469 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.045 18.559 15.957 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.218 18.158 14.224 1.00 0.00 C ATOM 0 H LEU A 69 5.824 22.832 13.391 1.00 0.00 H new ATOM 0 HA LEU A 69 3.882 20.747 14.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.896 19.977 12.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.888 20.399 14.166 1.00 0.00 H new ATOM 0 HG LEU A 69 6.341 17.954 13.946 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.872 17.548 16.325 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.097 18.815 16.080 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.432 19.261 16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.085 17.162 14.647 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.523 18.850 14.700 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.022 18.126 13.152 1.00 0.00 H new ATOM 1152 N VAL A 70 4.251 21.523 16.563 1.00 0.00 N ATOM 1153 CA VAL A 70 4.325 22.029 17.930 1.00 0.00 C ATOM 1154 C VAL A 70 4.705 20.895 18.883 1.00 0.00 C ATOM 1155 O VAL A 70 3.918 19.969 19.116 1.00 0.00 O ATOM 1156 CB VAL A 70 2.960 22.675 18.332 1.00 0.00 C ATOM 1157 CG1 VAL A 70 2.951 23.177 19.796 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.587 23.794 17.332 1.00 0.00 C ATOM 0 H VAL A 70 3.417 20.964 16.383 1.00 0.00 H new ATOM 0 HA VAL A 70 5.095 22.798 17.994 1.00 0.00 H new ATOM 0 HB VAL A 70 2.195 21.900 18.281 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.980 23.617 20.024 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.137 22.340 20.469 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.730 23.928 19.928 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.634 24.238 17.621 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.361 24.561 17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.502 23.373 16.330 1.00 0.00 H new ATOM 1168 N LEU A 71 5.936 20.969 19.394 1.00 0.00 N ATOM 1169 CA LEU A 71 6.454 20.018 20.378 1.00 0.00 C ATOM 1170 C LEU A 71 5.973 20.394 21.787 1.00 0.00 C ATOM 1171 O LEU A 71 5.925 21.579 22.147 1.00 0.00 O ATOM 1172 CB LEU A 71 7.999 19.975 20.317 1.00 0.00 C ATOM 1173 CG LEU A 71 8.603 19.427 18.986 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.149 19.509 18.980 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.121 17.980 18.727 1.00 0.00 C ATOM 0 H LEU A 71 6.604 21.695 19.135 1.00 0.00 H new ATOM 0 HA LEU A 71 6.074 19.024 20.142 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.380 20.983 20.481 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.361 19.360 21.141 1.00 0.00 H new ATOM 0 HG LEU A 71 8.245 20.060 18.174 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.530 19.118 18.037 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.459 20.548 19.094 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.548 18.919 19.805 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.552 17.614 17.795 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.437 17.338 19.549 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.034 17.966 18.654 1.00 0.00 H new ATOM 1187 N ARG A 72 5.599 19.366 22.559 1.00 0.00 N ATOM 1188 CA ARG A 72 5.080 19.514 23.928 1.00 0.00 C ATOM 1189 C ARG A 72 6.062 18.920 24.947 1.00 0.00 C ATOM 1190 O ARG A 72 6.350 19.534 25.969 1.00 0.00 O ATOM 1191 CB ARG A 72 3.698 18.818 24.040 1.00 0.00 C ATOM 1192 CG ARG A 72 2.602 19.406 23.122 1.00 0.00 C ATOM 1193 CD ARG A 72 1.252 18.678 23.265 1.00 0.00 C ATOM 1194 NE ARG A 72 0.727 18.756 24.645 1.00 0.00 N ATOM 1195 CZ ARG A 72 0.089 17.767 25.306 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -0.105 16.581 24.746 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -0.335 17.976 26.543 1.00 0.00 N ATOM 0 H ARG A 72 5.648 18.396 22.248 1.00 0.00 H new ATOM 0 HA ARG A 72 4.965 20.575 24.148 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.819 17.760 23.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.358 18.879 25.074 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.467 20.462 23.355 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.933 19.348 22.085 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.529 19.115 22.576 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.371 17.633 22.981 1.00 0.00 H new ATOM 0 HE ARG A 72 0.859 19.637 25.142 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.230 16.403 23.799 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.589 15.846 25.262 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.179 18.879 26.990 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.818 17.234 27.049 1.00 0.00 H new ATOM 1211 N LEU A 73 6.541 17.689 24.662 1.00 0.00 N ATOM 1212 CA LEU A 73 7.473 16.932 25.548 1.00 0.00 C ATOM 1213 C LEU A 73 6.883 16.711 26.962 1.00 0.00 C ATOM 1214 O LEU A 73 7.616 16.399 27.906 1.00 0.00 O ATOM 1215 CB LEU A 73 8.886 17.619 25.613 1.00 0.00 C ATOM 1216 CG LEU A 73 9.871 17.352 24.424 1.00 0.00 C ATOM 1217 CD1 LEU A 73 10.275 15.865 24.352 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.303 17.850 23.072 1.00 0.00 C ATOM 0 H LEU A 73 6.295 17.185 23.810 1.00 0.00 H new ATOM 0 HA LEU A 73 7.605 15.945 25.104 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.734 18.696 25.690 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.374 17.299 26.534 1.00 0.00 H new ATOM 0 HG LEU A 73 10.772 17.932 24.622 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.959 15.714 23.517 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.767 15.576 25.281 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.385 15.253 24.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.020 17.643 22.278 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.367 17.334 22.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.122 18.923 23.127 1.00 0.00 H new ATOM 1358 N LYS B 201 11.381 28.228 24.647 1.00 0.00 N ATOM 1359 CA LYS B 201 10.700 29.410 24.101 1.00 0.00 C ATOM 1360 C LYS B 201 10.591 29.239 22.582 1.00 0.00 C ATOM 1361 O LYS B 201 11.603 29.070 21.884 1.00 0.00 O ATOM 1362 CB LYS B 201 11.444 30.728 24.462 1.00 0.00 C ATOM 1363 CG LYS B 201 11.587 31.026 25.981 1.00 0.00 C ATOM 1364 CD LYS B 201 12.651 30.145 26.686 1.00 0.00 C ATOM 1365 CE LYS B 201 12.764 30.423 28.187 1.00 0.00 C ATOM 1366 NZ LYS B 201 13.247 31.794 28.474 1.00 0.00 N ATOM 0 HA LYS B 201 9.707 29.489 24.543 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.441 30.694 24.022 1.00 0.00 H new ATOM 0 HB3 LYS B 201 10.918 31.560 23.995 1.00 0.00 H new ATOM 0 HG2 LYS B 201 11.849 32.076 26.114 1.00 0.00 H new ATOM 0 HG3 LYS B 201 10.622 30.875 26.465 1.00 0.00 H new ATOM 0 HD2 LYS B 201 12.402 29.095 26.535 1.00 0.00 H new ATOM 0 HD3 LYS B 201 13.621 30.313 26.218 1.00 0.00 H new ATOM 0 HE2 LYS B 201 11.790 30.279 28.655 1.00 0.00 H new ATOM 0 HE3 LYS B 201 13.444 29.700 28.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 13.355 31.916 29.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 14.165 31.943 28.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 12.560 32.487 28.113 1.00 0.00 H new ATOM 1380 N VAL B 202 9.355 29.307 22.088 1.00 0.00 N ATOM 1381 CA VAL B 202 8.976 28.826 20.755 1.00 0.00 C ATOM 1382 C VAL B 202 7.839 29.685 20.158 1.00 0.00 C ATOM 1383 O VAL B 202 6.966 30.172 20.881 1.00 0.00 O ATOM 1384 CB VAL B 202 8.556 27.293 20.814 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.779 26.348 20.737 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.736 26.973 22.094 1.00 0.00 C ATOM 0 H VAL B 202 8.574 29.704 22.610 1.00 0.00 H new ATOM 0 HA VAL B 202 9.843 28.919 20.101 1.00 0.00 H new ATOM 0 HB VAL B 202 7.931 27.118 19.939 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.442 25.312 20.781 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.311 26.517 19.801 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.447 26.548 21.575 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.467 25.917 22.099 1.00 0.00 H new ATOM 0 HG22 VAL B 202 8.335 27.199 22.976 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.830 27.578 22.106 1.00 0.00 H new ATOM 1396 N ASP B 203 7.864 29.858 18.820 1.00 0.00 N ATOM 1397 CA ASP B 203 6.904 30.721 18.091 1.00 0.00 C ATOM 1398 C ASP B 203 5.521 30.067 17.996 1.00 0.00 C ATOM 1399 O ASP B 203 5.416 28.844 17.925 1.00 0.00 O ATOM 1400 CB ASP B 203 7.417 31.060 16.665 1.00 0.00 C ATOM 1401 CG ASP B 203 8.695 31.912 16.672 1.00 0.00 C ATOM 1402 OD1 ASP B 203 8.631 33.096 17.076 1.00 0.00 O ATOM 1403 OD2 ASP B 203 9.768 31.417 16.269 1.00 0.00 O ATOM 0 H ASP B 203 8.548 29.405 18.213 1.00 0.00 H new ATOM 0 HA ASP B 203 6.816 31.645 18.662 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.608 30.133 16.124 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.636 31.591 16.121 1.00 0.00 H new ATOM 1408 N CYS B 204 4.468 30.906 18.000 1.00 0.00 N ATOM 1409 CA CYS B 204 3.060 30.470 17.912 1.00 0.00 C ATOM 1410 C CYS B 204 2.637 30.451 16.438 1.00 0.00 C ATOM 1411 O CYS B 204 2.295 31.497 15.910 1.00 0.00 O ATOM 1412 CB CYS B 204 2.173 31.410 18.779 1.00 0.00 C ATOM 1413 SG CYS B 204 0.450 30.870 19.082 1.00 0.00 S ATOM 0 H CYS B 204 4.572 31.919 18.065 1.00 0.00 H new ATOM 0 HA CYS B 204 2.937 29.460 18.304 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.662 31.544 19.744 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.143 32.388 18.298 1.00 0.00 H new ATOM 0 HG CYS B 204 -0.099 31.647 19.969 1.00 0.00 H new ATOM 1418 N PRO B 205 2.662 29.260 15.743 1.00 0.00 N ATOM 1419 CA PRO B 205 2.559 29.166 14.247 1.00 0.00 C ATOM 1420 C PRO B 205 1.285 29.770 13.606 1.00 0.00 C ATOM 1421 O PRO B 205 1.173 29.788 12.375 1.00 0.00 O ATOM 1422 CB PRO B 205 2.655 27.639 13.977 1.00 0.00 C ATOM 1423 CG PRO B 205 2.259 27.002 15.270 1.00 0.00 C ATOM 1424 CD PRO B 205 2.819 27.908 16.338 1.00 0.00 C ATOM 0 HA PRO B 205 3.343 29.766 13.785 1.00 0.00 H new ATOM 0 HB2 PRO B 205 1.991 27.337 13.167 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.665 27.351 13.686 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.175 26.917 15.353 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.665 25.994 15.354 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.271 27.813 17.276 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.863 27.681 16.554 1.00 0.00 H new ATOM 1432 N VAL B 206 0.330 30.224 14.429 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.859 30.936 13.942 1.00 0.00 C ATOM 1434 C VAL B 206 -0.625 32.461 13.999 1.00 0.00 C ATOM 1435 O VAL B 206 -0.691 33.142 12.971 1.00 0.00 O ATOM 1436 CB VAL B 206 -2.142 30.560 14.768 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.398 31.232 14.164 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -2.313 29.018 14.871 1.00 0.00 C ATOM 0 H VAL B 206 0.359 30.110 15.442 1.00 0.00 H new ATOM 0 HA VAL B 206 -1.026 30.631 12.909 1.00 0.00 H new ATOM 0 HB VAL B 206 -2.016 30.940 15.782 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.275 30.958 14.751 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.274 32.315 14.179 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.531 30.897 13.135 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -3.209 28.789 15.448 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.407 28.595 13.871 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.443 28.588 15.366 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.311 32.988 15.206 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.263 34.459 15.451 1.00 0.00 C ATOM 1450 C CYS B 207 1.191 34.989 15.574 1.00 0.00 C ATOM 1451 O CYS B 207 1.403 36.143 15.959 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.097 34.824 16.710 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.294 34.489 18.310 1.00 0.00 S ATOM 0 H CYS B 207 -0.087 32.424 16.026 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.703 34.949 14.583 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.346 35.884 16.664 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.037 34.274 16.673 1.00 0.00 H new ATOM 0 HG CYS B 207 -0.102 33.210 18.440 1.00 0.00 H new ATOM 1458 N GLY B 208 2.186 34.130 15.255 1.00 0.00 N ATOM 1459 CA GLY B 208 3.606 34.528 15.133 1.00 0.00 C ATOM 1460 C GLY B 208 4.405 34.581 16.450 1.00 0.00 C ATOM 1461 O GLY B 208 5.573 34.193 16.467 1.00 0.00 O ATOM 0 H GLY B 208 2.026 33.139 15.075 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.102 33.831 14.457 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.649 35.511 14.665 1.00 0.00 H new ATOM 1465 N VAL B 209 3.760 35.035 17.545 1.00 0.00 N ATOM 1466 CA VAL B 209 4.444 35.449 18.805 1.00 0.00 C ATOM 1467 C VAL B 209 5.273 34.312 19.476 1.00 0.00 C ATOM 1468 O VAL B 209 4.809 33.173 19.585 1.00 0.00 O ATOM 1469 CB VAL B 209 3.402 36.047 19.828 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.638 37.236 19.187 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.413 34.962 20.333 1.00 0.00 C ATOM 0 H VAL B 209 2.745 35.128 17.588 1.00 0.00 H new ATOM 0 HA VAL B 209 5.162 36.217 18.518 1.00 0.00 H new ATOM 0 HB VAL B 209 3.954 36.414 20.694 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.923 37.638 19.905 1.00 0.00 H new ATOM 0 HG12 VAL B 209 3.347 38.015 18.906 1.00 0.00 H new ATOM 0 HG13 VAL B 209 2.107 36.891 18.300 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.710 35.409 21.036 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.866 34.546 19.487 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.968 34.167 20.832 1.00 0.00 H new ATOM 1481 N ASN B 210 6.507 34.642 19.905 1.00 0.00 N ATOM 1482 CA ASN B 210 7.395 33.704 20.623 1.00 0.00 C ATOM 1483 C ASN B 210 7.045 33.730 22.123 1.00 0.00 C ATOM 1484 O ASN B 210 7.026 34.796 22.744 1.00 0.00 O ATOM 1485 CB ASN B 210 8.889 34.060 20.397 1.00 0.00 C ATOM 1486 CG ASN B 210 9.843 32.976 20.906 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.269 32.991 22.058 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.177 32.018 20.051 1.00 0.00 N ATOM 0 H ASN B 210 6.917 35.565 19.764 1.00 0.00 H new ATOM 0 HA ASN B 210 7.242 32.698 20.232 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.062 34.219 19.333 1.00 0.00 H new ATOM 0 HB3 ASN B 210 9.114 35.000 20.901 1.00 0.00 H new ATOM 0 HD21 ASN B 210 10.803 31.268 20.344 1.00 0.00 H new ATOM 0 HD22 ASN B 210 9.808 32.031 19.100 1.00 0.00 H new ATOM 1495 N ILE B 211 6.761 32.541 22.666 1.00 0.00 N ATOM 1496 CA ILE B 211 6.233 32.325 24.030 1.00 0.00 C ATOM 1497 C ILE B 211 6.759 30.964 24.572 1.00 0.00 C ATOM 1498 O ILE B 211 7.100 30.085 23.774 1.00 0.00 O ATOM 1499 CB ILE B 211 4.638 32.316 24.023 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.116 31.512 22.790 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.042 33.749 24.063 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.614 31.383 22.687 1.00 0.00 C ATOM 0 H ILE B 211 6.895 31.668 22.155 1.00 0.00 H new ATOM 0 HA ILE B 211 6.571 33.139 24.672 1.00 0.00 H new ATOM 0 HB ILE B 211 4.300 31.820 24.933 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.485 31.991 21.883 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.548 30.512 22.821 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.954 33.691 24.057 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.373 34.256 24.970 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.380 34.308 23.191 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.358 30.808 21.797 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.231 30.873 23.571 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.167 32.375 22.619 1.00 0.00 H new ATOM 1514 N PRO B 212 6.833 30.762 25.933 1.00 0.00 N ATOM 1515 CA PRO B 212 7.248 29.459 26.534 1.00 0.00 C ATOM 1516 C PRO B 212 6.291 28.301 26.142 1.00 0.00 C ATOM 1517 O PRO B 212 5.104 28.533 25.933 1.00 0.00 O ATOM 1518 CB PRO B 212 7.214 29.747 28.057 1.00 0.00 C ATOM 1519 CG PRO B 212 6.285 30.917 28.207 1.00 0.00 C ATOM 1520 CD PRO B 212 6.527 31.772 26.988 1.00 0.00 C ATOM 0 HA PRO B 212 8.225 29.126 26.185 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.854 28.882 28.615 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.208 29.980 28.437 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.246 30.591 28.260 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.492 31.470 29.123 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.652 32.371 26.734 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.355 32.465 27.137 1.00 0.00 H new ATOM 1528 N GLU B 213 6.836 27.067 26.100 1.00 0.00 N ATOM 1529 CA GLU B 213 6.189 25.888 25.481 1.00 0.00 C ATOM 1530 C GLU B 213 4.809 25.527 26.081 1.00 0.00 C ATOM 1531 O GLU B 213 3.880 25.209 25.334 1.00 0.00 O ATOM 1532 CB GLU B 213 7.177 24.674 25.495 1.00 0.00 C ATOM 1533 CG GLU B 213 6.585 23.297 25.053 1.00 0.00 C ATOM 1534 CD GLU B 213 5.907 22.510 26.209 1.00 0.00 C ATOM 1535 OE1 GLU B 213 6.597 22.216 27.209 1.00 0.00 O ATOM 1536 OE2 GLU B 213 4.691 22.188 26.127 1.00 0.00 O ATOM 0 H GLU B 213 7.750 26.857 26.500 1.00 0.00 H new ATOM 0 HA GLU B 213 5.965 26.157 24.449 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.019 24.910 24.844 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.575 24.568 26.504 1.00 0.00 H new ATOM 0 HG2 GLU B 213 5.855 23.463 24.261 1.00 0.00 H new ATOM 0 HG3 GLU B 213 7.383 22.687 24.629 1.00 0.00 H new ATOM 1543 N SER B 214 4.663 25.548 27.412 1.00 0.00 N ATOM 1544 CA SER B 214 3.371 25.203 28.049 1.00 0.00 C ATOM 1545 C SER B 214 2.289 26.254 27.681 1.00 0.00 C ATOM 1546 O SER B 214 1.114 25.913 27.432 1.00 0.00 O ATOM 1547 CB SER B 214 3.541 25.056 29.579 1.00 0.00 C ATOM 1548 OG SER B 214 2.353 24.603 30.213 1.00 0.00 O ATOM 0 H SER B 214 5.406 25.795 28.066 1.00 0.00 H new ATOM 0 HA SER B 214 3.034 24.239 27.668 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.350 24.356 29.787 1.00 0.00 H new ATOM 0 HB3 SER B 214 3.833 26.016 30.004 1.00 0.00 H new ATOM 0 HG SER B 214 2.507 24.523 31.178 1.00 0.00 H new ATOM 1554 N HIS B 215 2.715 27.537 27.592 1.00 0.00 N ATOM 1555 CA HIS B 215 1.843 28.646 27.170 1.00 0.00 C ATOM 1556 C HIS B 215 1.748 28.723 25.640 1.00 0.00 C ATOM 1557 O HIS B 215 0.896 29.452 25.121 1.00 0.00 O ATOM 1558 CB HIS B 215 2.331 29.989 27.778 1.00 0.00 C ATOM 1559 CG HIS B 215 1.946 30.168 29.224 1.00 0.00 C ATOM 1560 ND1 HIS B 215 2.847 30.161 30.267 1.00 0.00 N ATOM 1561 CD2 HIS B 215 0.731 30.376 29.784 1.00 0.00 C ATOM 1562 CE1 HIS B 215 2.198 30.349 31.400 1.00 0.00 C ATOM 1563 NE2 HIS B 215 0.919 30.485 31.131 1.00 0.00 N ATOM 0 H HIS B 215 3.669 27.825 27.811 1.00 0.00 H new ATOM 0 HA HIS B 215 0.839 28.454 27.549 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.416 30.046 27.689 1.00 0.00 H new ATOM 0 HB3 HIS B 215 1.919 30.813 27.196 1.00 0.00 H new ATOM 0 HD2 HIS B 215 -0.212 30.443 29.262 1.00 0.00 H new ATOM 0 HE1 HIS B 215 2.643 30.385 32.383 1.00 0.00 H new ATOM 0 HE2 HIS B 215 0.184 30.646 31.819 1.00 0.00 H new ATOM 1572 N ILE B 216 2.621 27.970 24.930 1.00 0.00 N ATOM 1573 CA ILE B 216 2.545 27.818 23.469 1.00 0.00 C ATOM 1574 C ILE B 216 1.289 27.001 23.145 1.00 0.00 C ATOM 1575 O ILE B 216 0.492 27.401 22.304 1.00 0.00 O ATOM 1576 CB ILE B 216 3.882 27.177 22.813 1.00 0.00 C ATOM 1577 CG1 ILE B 216 4.433 28.075 21.671 1.00 0.00 C ATOM 1578 CG2 ILE B 216 3.709 25.719 22.281 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.502 28.254 20.512 1.00 0.00 C ATOM 0 H ILE B 216 3.392 27.456 25.357 1.00 0.00 H new ATOM 0 HA ILE B 216 2.477 28.807 23.016 1.00 0.00 H new ATOM 0 HB ILE B 216 4.595 27.128 23.636 1.00 0.00 H new ATOM 0 HG12 ILE B 216 4.673 29.056 22.082 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.366 27.645 21.307 1.00 0.00 H new ATOM 0 HG21 ILE B 216 4.652 25.371 21.860 1.00 0.00 H new ATOM 0 HG22 ILE B 216 3.415 25.065 23.102 1.00 0.00 H new ATOM 0 HG23 ILE B 216 2.939 25.702 21.510 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.970 28.895 19.765 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.281 27.283 20.070 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.576 28.715 20.857 1.00 0.00 H new ATOM 1591 N ASN B 217 1.091 25.901 23.891 1.00 0.00 N ATOM 1592 CA ASN B 217 -0.027 24.975 23.668 1.00 0.00 C ATOM 1593 C ASN B 217 -1.362 25.559 24.152 1.00 0.00 C ATOM 1594 O ASN B 217 -2.405 25.232 23.584 1.00 0.00 O ATOM 1595 CB ASN B 217 0.264 23.600 24.315 1.00 0.00 C ATOM 1596 CG ASN B 217 1.360 22.840 23.568 1.00 0.00 C ATOM 1597 OD1 ASN B 217 1.079 22.190 22.560 1.00 0.00 O ATOM 1598 ND2 ASN B 217 2.601 22.913 24.044 1.00 0.00 N ATOM 0 H ASN B 217 1.701 25.631 24.663 1.00 0.00 H new ATOM 0 HA ASN B 217 -0.124 24.827 22.593 1.00 0.00 H new ATOM 0 HB2 ASN B 217 0.564 23.743 25.353 1.00 0.00 H new ATOM 0 HB3 ASN B 217 -0.648 23.004 24.326 1.00 0.00 H new ATOM 0 HD21 ASN B 217 3.358 22.420 23.571 1.00 0.00 H new ATOM 0 HD22 ASN B 217 2.794 23.462 24.882 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.323 26.414 25.196 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.518 27.171 25.638 1.00 0.00 C ATOM 1607 C LYS B 218 -2.924 28.231 24.580 1.00 0.00 C ATOM 1608 O LYS B 218 -4.095 28.275 24.153 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.278 27.825 27.035 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.422 28.760 27.542 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.821 28.068 27.619 1.00 0.00 C ATOM 1612 CE LYS B 218 -4.907 26.960 28.686 1.00 0.00 C ATOM 1613 NZ LYS B 218 -4.750 27.504 30.056 1.00 0.00 N ATOM 0 H LYS B 218 -0.484 26.598 25.746 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.346 26.470 25.739 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -2.128 27.032 27.768 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.353 28.400 26.994 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.159 29.136 28.531 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.491 29.624 26.881 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -5.579 28.823 27.830 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -5.059 27.641 26.645 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -5.867 26.450 28.605 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -4.134 26.215 28.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -4.914 26.748 30.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -3.787 27.878 30.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.439 28.268 30.207 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.936 29.056 24.143 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.161 30.133 23.141 1.00 0.00 C ATOM 1629 C HIS B 219 -2.737 29.531 21.867 1.00 0.00 C ATOM 1630 O HIS B 219 -3.695 30.046 21.311 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.836 30.904 22.796 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.950 32.418 22.770 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.757 33.190 21.618 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -1.146 33.254 23.820 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.835 34.442 22.035 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -1.068 34.528 23.343 1.00 0.00 N ATOM 0 H HIS B 219 -0.972 28.995 24.471 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.861 30.847 23.576 1.00 0.00 H new ATOM 0 HB2 HIS B 219 -0.074 30.627 23.525 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.483 30.567 21.822 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -1.330 32.964 24.844 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -0.722 35.299 21.387 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -1.169 35.386 23.886 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.124 28.412 21.447 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.510 27.681 20.240 1.00 0.00 C ATOM 1646 C LEU B 220 -3.853 27.011 20.378 1.00 0.00 C ATOM 1647 O LEU B 220 -4.564 26.962 19.402 1.00 0.00 O ATOM 1648 CB LEU B 220 -1.438 26.649 19.864 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.160 27.257 19.234 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.943 26.200 19.121 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.482 27.914 17.870 1.00 0.00 C ATOM 0 H LEU B 220 -1.340 27.990 21.944 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.595 28.416 19.440 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -1.158 26.091 20.758 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -1.869 25.934 19.164 1.00 0.00 H new ATOM 0 HG LEU B 220 0.214 28.044 19.889 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.832 26.648 18.676 1.00 0.00 H new ATOM 0 HD12 LEU B 220 1.186 25.820 20.113 1.00 0.00 H new ATOM 0 HD13 LEU B 220 0.597 25.379 18.493 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.429 28.335 17.445 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.886 27.163 17.191 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -1.216 28.707 18.012 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.201 26.528 21.586 1.00 0.00 N ATOM 1664 CA ASP B 221 -5.517 25.889 21.835 1.00 0.00 C ATOM 1665 C ASP B 221 -6.654 26.872 21.479 1.00 0.00 C ATOM 1666 O ASP B 221 -7.725 26.466 21.025 1.00 0.00 O ATOM 1667 CB ASP B 221 -5.626 25.421 23.312 1.00 0.00 C ATOM 1668 CG ASP B 221 -6.777 24.424 23.552 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.567 23.215 23.332 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -7.889 24.841 23.933 1.00 0.00 O ATOM 0 H ASP B 221 -3.595 26.566 22.405 1.00 0.00 H new ATOM 0 HA ASP B 221 -5.610 25.008 21.199 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -4.685 24.958 23.610 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -5.769 26.292 23.952 1.00 0.00 H new ATOM 1675 N SER B 222 -6.370 28.178 21.665 1.00 0.00 N ATOM 1676 CA SER B 222 -7.287 29.274 21.284 1.00 0.00 C ATOM 1677 C SER B 222 -7.014 29.779 19.836 1.00 0.00 C ATOM 1678 O SER B 222 -7.952 30.118 19.113 1.00 0.00 O ATOM 1679 CB SER B 222 -7.142 30.436 22.294 1.00 0.00 C ATOM 1680 OG SER B 222 -8.066 31.488 22.039 1.00 0.00 O ATOM 0 H SER B 222 -5.498 28.503 22.084 1.00 0.00 H new ATOM 0 HA SER B 222 -8.307 28.890 21.306 1.00 0.00 H new ATOM 0 HB2 SER B 222 -7.295 30.058 23.305 1.00 0.00 H new ATOM 0 HB3 SER B 222 -6.126 30.828 22.250 1.00 0.00 H new ATOM 0 HG SER B 222 -7.941 32.200 22.700 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.725 29.805 19.428 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.280 30.404 18.146 1.00 0.00 C ATOM 1688 C CYS B 223 -5.628 29.516 16.934 1.00 0.00 C ATOM 1689 O CYS B 223 -5.854 30.033 15.836 1.00 0.00 O ATOM 1690 CB CYS B 223 -3.755 30.712 18.181 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.299 32.100 19.281 1.00 0.00 S ATOM 0 H CYS B 223 -4.962 29.411 19.978 1.00 0.00 H new ATOM 0 HA CYS B 223 -5.824 31.341 18.025 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.222 29.817 18.503 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.418 30.938 17.170 1.00 0.00 H new ATOM 0 HG CYS B 223 -3.253 31.682 20.511 1.00 0.00 H new ATOM 1696 N LEU B 224 -5.707 28.181 17.150 1.00 0.00 N ATOM 1697 CA LEU B 224 -5.968 27.199 16.066 1.00 0.00 C ATOM 1698 C LEU B 224 -7.440 27.234 15.639 1.00 0.00 C ATOM 1699 O LEU B 224 -7.814 26.577 14.661 1.00 0.00 O ATOM 1700 CB LEU B 224 -5.513 25.752 16.486 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.183 25.075 17.751 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -7.634 24.583 17.523 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.299 23.922 18.278 1.00 0.00 C ATOM 0 H LEU B 224 -5.593 27.756 18.070 1.00 0.00 H new ATOM 0 HA LEU B 224 -5.370 27.483 15.200 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -5.680 25.094 15.633 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -4.437 25.782 16.660 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.255 25.863 18.501 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.014 24.133 18.440 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.265 25.427 17.244 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -7.646 23.842 16.724 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -5.774 23.468 19.147 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.177 23.171 17.497 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.322 24.313 18.561 1.00 0.00 H new