USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=27 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 -57:sc= -0.306 USER MOD Set 1.2: B 207 CYS SG : rot -67:sc= -1.33 USER MOD Set 1.3: B 219 HIS : no HE2:sc=-0.00374 X(o=-1.3,f=-1.4) USER MOD Set 1.4: B 223 CYS SG : rot 84:sc= 0.34 USER MOD Set 2.1: A 7 THR OG1 : rot 126:sc= 1.01 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.907 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 122:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.888 (180deg=0.84) USER MOD Single : A 2 GLN : amide:sc=-0.00361 X(o=-0.0036,f=-0.0047) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0475) USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.502 USER MOD Single : A 20 SER OG : rot -38:sc= 0.401 USER MOD Single : A 22 THR OG1 : rot 30:sc= 0.394 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.785) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -2.05 (180deg=-3.56!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.578 F(o=-1.1,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0.708 (180deg=0.673) USER MOD Single : A 40 GLN : amide:sc= 0.175 K(o=0.18,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -3.98! C(o=-4!,f=-8.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.6) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -78:sc= 0.712 USER MOD Single : A 60 ASN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0374 X(o=0.037,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= 0.259 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=-0.018) USER MOD Single : B 201 LYS NZ :NH3+ -165:sc= -0.0367 (180deg=-0.286) USER MOD Single : B 210 ASN : amide:sc= 0.0602 X(o=0.06,f=0) 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= -0.804 K(o=-0.8,f=-7.1!) USER MOD Single : B 218 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0928) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N MET A 1 4.316 9.032 -0.212 1.00 0.00 N ATOM 40 CA MET A 1 4.925 10.308 -0.657 1.00 0.00 C ATOM 41 C MET A 1 5.446 11.068 0.569 1.00 0.00 C ATOM 42 O MET A 1 4.905 10.936 1.668 1.00 0.00 O ATOM 43 CB MET A 1 3.897 11.188 -1.424 1.00 0.00 C ATOM 44 CG MET A 1 3.134 10.448 -2.527 1.00 0.00 C ATOM 45 SD MET A 1 4.242 9.666 -3.716 1.00 0.00 S ATOM 46 CE MET A 1 3.092 8.799 -4.776 1.00 0.00 C ATOM 0 H1 MET A 1 4.083 8.450 -1.042 1.00 0.00 H new ATOM 0 H2 MET A 1 4.989 8.519 0.393 1.00 0.00 H new ATOM 0 H3 MET A 1 3.448 9.230 0.326 1.00 0.00 H new ATOM 0 HA MET A 1 5.746 10.083 -1.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.179 11.593 -0.711 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.420 12.036 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.493 9.690 -2.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.481 11.149 -3.048 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.642 8.272 -5.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.523 8.081 -4.185 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.409 9.514 -5.234 1.00 0.00 H new ATOM 56 N GLN A 2 6.474 11.883 0.363 1.00 0.00 N ATOM 57 CA GLN A 2 7.169 12.581 1.456 1.00 0.00 C ATOM 58 C GLN A 2 6.620 13.987 1.657 1.00 0.00 C ATOM 59 O GLN A 2 6.470 14.729 0.699 1.00 0.00 O ATOM 60 CB GLN A 2 8.704 12.614 1.227 1.00 0.00 C ATOM 61 CG GLN A 2 9.422 11.285 1.569 1.00 0.00 C ATOM 62 CD GLN A 2 9.223 10.181 0.539 1.00 0.00 C ATOM 63 OE1 GLN A 2 8.301 9.370 0.630 1.00 0.00 O ATOM 64 NE2 GLN A 2 10.092 10.151 -0.453 1.00 0.00 N ATOM 0 H GLN A 2 6.854 12.083 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 2 6.981 12.015 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.900 12.863 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.134 13.413 1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.489 11.479 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.065 10.932 2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.843 10.840 -0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.013 9.439 -1.179 1.00 0.00 H new ATOM 73 N ILE A 3 6.315 14.315 2.925 1.00 0.00 N ATOM 74 CA ILE A 3 5.922 15.666 3.381 1.00 0.00 C ATOM 75 C ILE A 3 6.840 16.076 4.539 1.00 0.00 C ATOM 76 O ILE A 3 7.281 15.226 5.329 1.00 0.00 O ATOM 77 CB ILE A 3 4.397 15.799 3.824 1.00 0.00 C ATOM 78 CG1 ILE A 3 3.947 14.688 4.845 1.00 0.00 C ATOM 79 CG2 ILE A 3 3.459 15.840 2.592 1.00 0.00 C ATOM 80 CD1 ILE A 3 3.723 13.295 4.249 1.00 0.00 C ATOM 0 H ILE A 3 6.335 13.632 3.683 1.00 0.00 H new ATOM 0 HA ILE A 3 6.031 16.331 2.524 1.00 0.00 H new ATOM 0 HB ILE A 3 4.315 16.748 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.702 14.612 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.023 15.012 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.425 15.931 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.716 16.696 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.575 14.922 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.416 12.607 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.944 13.346 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.649 12.939 3.797 1.00 0.00 H new ATOM 92 N PHE A 4 7.126 17.385 4.629 1.00 0.00 N ATOM 93 CA PHE A 4 8.156 17.931 5.540 1.00 0.00 C ATOM 94 C PHE A 4 7.495 18.750 6.658 1.00 0.00 C ATOM 95 O PHE A 4 7.042 19.875 6.447 1.00 0.00 O ATOM 96 CB PHE A 4 9.182 18.773 4.727 1.00 0.00 C ATOM 97 CG PHE A 4 9.914 17.952 3.656 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.016 17.164 3.994 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.484 17.940 2.326 1.00 0.00 C ATOM 100 CE1 PHE A 4 11.666 16.401 3.042 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.133 17.171 1.378 1.00 0.00 C ATOM 102 CZ PHE A 4 11.224 16.403 1.735 1.00 0.00 C ATOM 0 H PHE A 4 6.652 18.098 4.074 1.00 0.00 H new ATOM 0 HA PHE A 4 8.698 17.113 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.664 19.605 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.914 19.204 5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.366 17.150 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.634 18.539 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.521 15.803 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.786 17.171 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.730 15.805 0.992 1.00 0.00 H new ATOM 112 N VAL A 5 7.427 18.152 7.850 1.00 0.00 N ATOM 113 CA VAL A 5 6.778 18.742 9.025 1.00 0.00 C ATOM 114 C VAL A 5 7.862 19.284 9.977 1.00 0.00 C ATOM 115 O VAL A 5 8.584 18.522 10.622 1.00 0.00 O ATOM 116 CB VAL A 5 5.851 17.686 9.733 1.00 0.00 C ATOM 117 CG1 VAL A 5 5.205 18.256 11.003 1.00 0.00 C ATOM 118 CG2 VAL A 5 4.757 17.180 8.760 1.00 0.00 C ATOM 0 H VAL A 5 7.827 17.231 8.029 1.00 0.00 H new ATOM 0 HA VAL A 5 6.139 19.570 8.719 1.00 0.00 H new ATOM 0 HB VAL A 5 6.482 16.847 10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.573 17.496 11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.984 18.553 11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.599 19.124 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.127 16.451 9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.146 18.020 8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.227 16.712 7.895 1.00 0.00 H new ATOM 128 N LYS A 6 7.985 20.613 10.003 1.00 0.00 N ATOM 129 CA LYS A 6 9.028 21.343 10.730 1.00 0.00 C ATOM 130 C LYS A 6 8.565 21.651 12.174 1.00 0.00 C ATOM 131 O LYS A 6 7.582 22.370 12.356 1.00 0.00 O ATOM 132 CB LYS A 6 9.307 22.683 9.972 1.00 0.00 C ATOM 133 CG LYS A 6 10.683 23.321 10.262 1.00 0.00 C ATOM 134 CD LYS A 6 11.817 22.642 9.459 1.00 0.00 C ATOM 135 CE LYS A 6 13.192 23.240 9.768 1.00 0.00 C ATOM 136 NZ LYS A 6 14.227 22.778 8.816 1.00 0.00 N ATOM 0 H LYS A 6 7.343 21.230 9.505 1.00 0.00 H new ATOM 0 HA LYS A 6 9.933 20.737 10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.226 22.501 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.528 23.400 10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.650 24.382 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.899 23.248 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.829 21.576 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.613 22.741 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.129 24.328 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.485 22.968 10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.171 22.961 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.114 21.758 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.125 23.290 7.917 1.00 0.00 H new ATOM 150 N THR A 7 9.278 21.125 13.187 1.00 0.00 N ATOM 151 CA THR A 7 8.998 21.425 14.607 1.00 0.00 C ATOM 152 C THR A 7 9.385 22.865 14.982 1.00 0.00 C ATOM 153 O THR A 7 10.108 23.557 14.247 1.00 0.00 O ATOM 154 CB THR A 7 9.742 20.437 15.568 1.00 0.00 C ATOM 155 OG1 THR A 7 11.087 20.242 15.115 1.00 0.00 O ATOM 156 CG2 THR A 7 9.026 19.096 15.694 1.00 0.00 C ATOM 0 H THR A 7 10.059 20.484 13.048 1.00 0.00 H new ATOM 0 HA THR A 7 7.922 21.304 14.728 1.00 0.00 H new ATOM 0 HB THR A 7 9.748 20.887 16.561 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.710 20.442 15.845 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.583 18.448 16.371 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.022 19.255 16.088 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.961 18.625 14.713 1.00 0.00 H new ATOM 164 N LEU A 8 8.913 23.277 16.172 1.00 0.00 N ATOM 165 CA LEU A 8 9.275 24.555 16.808 1.00 0.00 C ATOM 166 C LEU A 8 10.749 24.554 17.300 1.00 0.00 C ATOM 167 O LEU A 8 11.271 25.600 17.693 1.00 0.00 O ATOM 168 CB LEU A 8 8.331 24.829 18.004 1.00 0.00 C ATOM 169 CG LEU A 8 6.804 24.922 17.714 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.013 25.152 19.022 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.485 26.015 16.668 1.00 0.00 C ATOM 0 H LEU A 8 8.260 22.723 16.726 1.00 0.00 H new ATOM 0 HA LEU A 8 9.169 25.341 16.061 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.485 24.040 18.740 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.642 25.765 18.469 1.00 0.00 H new ATOM 0 HG LEU A 8 6.490 23.969 17.288 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.948 25.214 18.797 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.192 24.322 19.706 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.341 26.082 19.487 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.410 26.048 16.493 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.823 26.983 17.039 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.997 25.785 15.734 1.00 0.00 H new ATOM 183 N THR A 9 11.396 23.370 17.303 1.00 0.00 N ATOM 184 CA THR A 9 12.827 23.224 17.641 1.00 0.00 C ATOM 185 C THR A 9 13.725 23.440 16.405 1.00 0.00 C ATOM 186 O THR A 9 14.954 23.439 16.526 1.00 0.00 O ATOM 187 CB THR A 9 13.103 21.814 18.271 1.00 0.00 C ATOM 188 OG1 THR A 9 12.597 20.782 17.405 1.00 0.00 O ATOM 189 CG2 THR A 9 12.467 21.675 19.666 1.00 0.00 C ATOM 0 H THR A 9 10.940 22.487 17.071 1.00 0.00 H new ATOM 0 HA THR A 9 13.072 23.993 18.373 1.00 0.00 H new ATOM 0 HB THR A 9 14.182 21.709 18.382 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.774 19.904 17.804 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.682 20.684 20.067 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.880 22.433 20.331 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.388 21.809 19.589 1.00 0.00 H new ATOM 197 N GLY A 10 13.097 23.628 15.224 1.00 0.00 N ATOM 198 CA GLY A 10 13.817 23.861 13.966 1.00 0.00 C ATOM 199 C GLY A 10 14.300 22.571 13.312 1.00 0.00 C ATOM 200 O GLY A 10 15.166 22.603 12.430 1.00 0.00 O ATOM 0 H GLY A 10 12.082 23.622 15.122 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.165 24.392 13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.673 24.508 14.157 1.00 0.00 H new ATOM 204 N LYS A 11 13.747 21.436 13.762 1.00 0.00 N ATOM 205 CA LYS A 11 14.034 20.095 13.219 1.00 0.00 C ATOM 206 C LYS A 11 12.996 19.733 12.136 1.00 0.00 C ATOM 207 O LYS A 11 11.867 20.219 12.169 1.00 0.00 O ATOM 208 CB LYS A 11 14.066 19.072 14.409 1.00 0.00 C ATOM 209 CG LYS A 11 13.551 17.650 14.116 1.00 0.00 C ATOM 210 CD LYS A 11 13.687 16.700 15.327 1.00 0.00 C ATOM 211 CE LYS A 11 13.055 15.328 15.067 1.00 0.00 C ATOM 212 NZ LYS A 11 13.642 14.650 13.888 1.00 0.00 N ATOM 0 H LYS A 11 13.074 21.421 14.528 1.00 0.00 H new ATOM 0 HA LYS A 11 15.008 20.069 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.094 18.995 14.763 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.477 19.485 15.228 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.504 17.703 13.818 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.103 17.236 13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.742 16.571 15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.215 17.155 16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.185 14.698 15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.982 15.448 14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.243 13.693 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.422 15.194 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.674 14.586 14.002 1.00 0.00 H new ATOM 226 N THR A 12 13.401 18.892 11.166 1.00 0.00 N ATOM 227 CA THR A 12 12.531 18.468 10.049 1.00 0.00 C ATOM 228 C THR A 12 12.143 16.983 10.207 1.00 0.00 C ATOM 229 O THR A 12 13.009 16.115 10.407 1.00 0.00 O ATOM 230 CB THR A 12 13.233 18.677 8.668 1.00 0.00 C ATOM 231 OG1 THR A 12 13.720 20.020 8.564 1.00 0.00 O ATOM 232 CG2 THR A 12 12.283 18.389 7.481 1.00 0.00 C ATOM 0 H THR A 12 14.337 18.488 11.133 1.00 0.00 H new ATOM 0 HA THR A 12 11.634 19.086 10.078 1.00 0.00 H new ATOM 0 HB THR A 12 14.061 17.970 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.687 20.006 8.408 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.815 18.547 6.543 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.939 17.356 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.426 19.060 7.530 1.00 0.00 H new ATOM 240 N ILE A 13 10.833 16.709 10.126 1.00 0.00 N ATOM 241 CA ILE A 13 10.277 15.348 10.205 1.00 0.00 C ATOM 242 C ILE A 13 9.650 14.985 8.848 1.00 0.00 C ATOM 243 O ILE A 13 8.607 15.523 8.471 1.00 0.00 O ATOM 244 CB ILE A 13 9.230 15.193 11.384 1.00 0.00 C ATOM 245 CG1 ILE A 13 9.890 15.501 12.771 1.00 0.00 C ATOM 246 CG2 ILE A 13 8.611 13.778 11.396 1.00 0.00 C ATOM 247 CD1 ILE A 13 9.979 16.974 13.118 1.00 0.00 C ATOM 0 H ILE A 13 10.123 17.431 10.003 1.00 0.00 H new ATOM 0 HA ILE A 13 11.088 14.655 10.430 1.00 0.00 H new ATOM 0 HB ILE A 13 8.435 15.918 11.210 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.321 14.992 13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.894 15.078 12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.896 13.700 12.215 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.100 13.596 10.450 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.399 13.037 11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.449 17.090 14.095 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.575 17.490 12.365 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.977 17.403 13.144 1.00 0.00 H new ATOM 259 N THR A 14 10.334 14.104 8.109 1.00 0.00 N ATOM 260 CA THR A 14 9.889 13.606 6.804 1.00 0.00 C ATOM 261 C THR A 14 9.008 12.357 6.994 1.00 0.00 C ATOM 262 O THR A 14 9.471 11.350 7.538 1.00 0.00 O ATOM 263 CB THR A 14 11.128 13.263 5.918 1.00 0.00 C ATOM 264 OG1 THR A 14 11.944 14.435 5.773 1.00 0.00 O ATOM 265 CG2 THR A 14 10.736 12.736 4.523 1.00 0.00 C ATOM 0 H THR A 14 11.227 13.711 8.407 1.00 0.00 H new ATOM 0 HA THR A 14 9.302 14.378 6.306 1.00 0.00 H new ATOM 0 HB THR A 14 11.677 12.467 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.625 14.964 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.637 12.514 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.142 11.828 4.631 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.151 13.492 3.999 1.00 0.00 H new ATOM 273 N LEU A 15 7.733 12.441 6.568 1.00 0.00 N ATOM 274 CA LEU A 15 6.766 11.315 6.647 1.00 0.00 C ATOM 275 C LEU A 15 6.558 10.730 5.264 1.00 0.00 C ATOM 276 O LEU A 15 6.796 11.399 4.268 1.00 0.00 O ATOM 277 CB LEU A 15 5.388 11.743 7.231 1.00 0.00 C ATOM 278 CG LEU A 15 5.416 12.480 8.603 1.00 0.00 C ATOM 279 CD1 LEU A 15 6.371 11.797 9.596 1.00 0.00 C ATOM 280 CD2 LEU A 15 5.754 13.966 8.435 1.00 0.00 C ATOM 0 H LEU A 15 7.339 13.288 6.159 1.00 0.00 H new ATOM 0 HA LEU A 15 7.192 10.574 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.896 12.390 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.769 10.852 7.335 1.00 0.00 H new ATOM 0 HG LEU A 15 4.412 12.417 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.363 12.340 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.047 10.770 9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.381 11.796 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.765 14.449 9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.735 14.066 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.003 14.441 7.804 1.00 0.00 H new ATOM 292 N GLU A 16 6.070 9.487 5.226 1.00 0.00 N ATOM 293 CA GLU A 16 5.909 8.712 3.992 1.00 0.00 C ATOM 294 C GLU A 16 4.453 8.209 3.906 1.00 0.00 C ATOM 295 O GLU A 16 4.152 7.091 4.344 1.00 0.00 O ATOM 296 CB GLU A 16 6.934 7.539 3.999 1.00 0.00 C ATOM 297 CG GLU A 16 8.407 7.993 4.096 1.00 0.00 C ATOM 298 CD GLU A 16 9.385 6.831 4.328 1.00 0.00 C ATOM 299 OE1 GLU A 16 9.582 6.433 5.499 1.00 0.00 O ATOM 300 OE2 GLU A 16 9.968 6.322 3.353 1.00 0.00 O ATOM 0 H GLU A 16 5.772 8.984 6.062 1.00 0.00 H new ATOM 0 HA GLU A 16 6.105 9.325 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.711 6.880 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.805 6.951 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.681 8.512 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.506 8.711 4.910 1.00 0.00 H new ATOM 307 N VAL A 17 3.542 9.075 3.410 1.00 0.00 N ATOM 308 CA VAL A 17 2.087 8.769 3.262 1.00 0.00 C ATOM 309 C VAL A 17 1.514 9.507 2.038 1.00 0.00 C ATOM 310 O VAL A 17 2.221 10.225 1.339 1.00 0.00 O ATOM 311 CB VAL A 17 1.226 9.176 4.529 1.00 0.00 C ATOM 312 CG1 VAL A 17 1.621 8.404 5.798 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.277 10.702 4.756 1.00 0.00 C ATOM 0 H VAL A 17 3.789 10.014 3.097 1.00 0.00 H new ATOM 0 HA VAL A 17 2.020 7.688 3.143 1.00 0.00 H new ATOM 0 HB VAL A 17 0.196 8.892 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.996 8.727 6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.481 7.336 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.667 8.600 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.680 10.960 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.310 11.011 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.878 11.214 3.880 1.00 0.00 H new ATOM 323 N GLU A 18 0.206 9.354 1.817 1.00 0.00 N ATOM 324 CA GLU A 18 -0.494 9.948 0.663 1.00 0.00 C ATOM 325 C GLU A 18 -1.151 11.284 1.067 1.00 0.00 C ATOM 326 O GLU A 18 -1.435 11.496 2.254 1.00 0.00 O ATOM 327 CB GLU A 18 -1.576 8.953 0.153 1.00 0.00 C ATOM 328 CG GLU A 18 -1.122 7.490 0.190 1.00 0.00 C ATOM 329 CD GLU A 18 -2.038 6.544 -0.588 1.00 0.00 C ATOM 330 OE1 GLU A 18 -1.860 6.414 -1.816 1.00 0.00 O ATOM 331 OE2 GLU A 18 -2.935 5.921 0.016 1.00 0.00 O ATOM 0 H GLU A 18 -0.404 8.814 2.432 1.00 0.00 H new ATOM 0 HA GLU A 18 0.224 10.144 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.475 9.062 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.848 9.216 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.113 7.421 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.071 7.161 1.228 1.00 0.00 H new ATOM 338 N PRO A 19 -1.406 12.215 0.093 1.00 0.00 N ATOM 339 CA PRO A 19 -2.276 13.392 0.339 1.00 0.00 C ATOM 340 C PRO A 19 -3.721 12.959 0.706 1.00 0.00 C ATOM 341 O PRO A 19 -4.385 13.601 1.520 1.00 0.00 O ATOM 342 CB PRO A 19 -2.213 14.189 -0.998 1.00 0.00 C ATOM 343 CG PRO A 19 -1.774 13.179 -2.018 1.00 0.00 C ATOM 344 CD PRO A 19 -0.843 12.233 -1.285 1.00 0.00 C ATOM 0 HA PRO A 19 -1.949 13.995 1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.184 14.614 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.509 15.019 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.629 12.644 -2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.265 13.661 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.841 11.240 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.187 12.590 -1.296 1.00 0.00 H new ATOM 352 N SER A 20 -4.160 11.816 0.145 1.00 0.00 N ATOM 353 CA SER A 20 -5.522 11.282 0.339 1.00 0.00 C ATOM 354 C SER A 20 -5.548 10.234 1.476 1.00 0.00 C ATOM 355 O SER A 20 -6.563 9.566 1.673 1.00 0.00 O ATOM 356 CB SER A 20 -6.018 10.678 -1.002 1.00 0.00 C ATOM 357 OG SER A 20 -7.387 10.288 -0.951 1.00 0.00 O ATOM 0 H SER A 20 -3.578 11.235 -0.458 1.00 0.00 H new ATOM 0 HA SER A 20 -6.193 12.088 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.881 11.409 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.406 9.812 -1.255 1.00 0.00 H new ATOM 0 HG SER A 20 -7.584 9.899 -0.073 1.00 0.00 H new ATOM 363 N ASP A 21 -4.438 10.125 2.246 1.00 0.00 N ATOM 364 CA ASP A 21 -4.302 9.170 3.369 1.00 0.00 C ATOM 365 C ASP A 21 -5.229 9.586 4.548 1.00 0.00 C ATOM 366 O ASP A 21 -6.423 9.265 4.506 1.00 0.00 O ATOM 367 CB ASP A 21 -2.789 9.055 3.749 1.00 0.00 C ATOM 368 CG ASP A 21 -2.478 8.280 5.035 1.00 0.00 C ATOM 369 OD1 ASP A 21 -2.786 7.069 5.107 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.915 8.879 5.967 1.00 0.00 O ATOM 0 H ASP A 21 -3.608 10.701 2.103 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.635 8.173 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.262 8.577 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.381 10.061 3.847 1.00 0.00 H new ATOM 375 N THR A 22 -4.687 10.314 5.557 1.00 0.00 N ATOM 376 CA THR A 22 -5.441 10.911 6.683 1.00 0.00 C ATOM 377 C THR A 22 -4.446 11.494 7.697 1.00 0.00 C ATOM 378 O THR A 22 -3.377 10.920 7.921 1.00 0.00 O ATOM 379 CB THR A 22 -6.431 9.928 7.426 1.00 0.00 C ATOM 380 OG1 THR A 22 -7.168 10.634 8.436 1.00 0.00 O ATOM 381 CG2 THR A 22 -5.727 8.721 8.072 1.00 0.00 C ATOM 0 H THR A 22 -3.687 10.506 5.609 1.00 0.00 H new ATOM 0 HA THR A 22 -6.074 11.681 6.242 1.00 0.00 H new ATOM 0 HB THR A 22 -7.101 9.541 6.659 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.279 11.570 8.166 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.466 8.089 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.212 8.146 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.003 9.073 8.807 1.00 0.00 H new ATOM 389 N ILE A 23 -4.826 12.622 8.321 1.00 0.00 N ATOM 390 CA ILE A 23 -3.971 13.366 9.262 1.00 0.00 C ATOM 391 C ILE A 23 -3.631 12.522 10.512 1.00 0.00 C ATOM 392 O ILE A 23 -2.523 12.627 11.046 1.00 0.00 O ATOM 393 CB ILE A 23 -4.652 14.707 9.722 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.982 15.650 8.512 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.792 15.450 10.777 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.778 16.136 7.718 1.00 0.00 C ATOM 0 H ILE A 23 -5.743 13.047 8.185 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.050 13.596 8.726 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.598 14.430 10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.654 15.123 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.524 16.518 8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.294 16.372 11.072 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.659 14.814 11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.818 15.688 10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.114 16.780 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.112 16.697 8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.244 15.280 7.305 1.00 0.00 H new ATOM 408 N GLU A 24 -4.600 11.700 10.970 1.00 0.00 N ATOM 409 CA GLU A 24 -4.420 10.831 12.160 1.00 0.00 C ATOM 410 C GLU A 24 -3.256 9.846 11.946 1.00 0.00 C ATOM 411 O GLU A 24 -2.486 9.538 12.870 1.00 0.00 O ATOM 412 CB GLU A 24 -5.720 10.052 12.492 1.00 0.00 C ATOM 413 CG GLU A 24 -5.680 9.323 13.856 1.00 0.00 C ATOM 414 CD GLU A 24 -6.960 8.536 14.170 1.00 0.00 C ATOM 415 OE1 GLU A 24 -7.984 9.158 14.522 1.00 0.00 O ATOM 416 OE2 GLU A 24 -6.949 7.288 14.073 1.00 0.00 O ATOM 0 H GLU A 24 -5.518 11.618 10.534 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.184 11.478 13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.560 10.746 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.905 9.321 11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.831 8.640 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.511 10.056 14.645 1.00 0.00 H new ATOM 423 N ASN A 25 -3.118 9.392 10.700 1.00 0.00 N ATOM 424 CA ASN A 25 -2.041 8.484 10.306 1.00 0.00 C ATOM 425 C ASN A 25 -0.727 9.252 10.219 1.00 0.00 C ATOM 426 O ASN A 25 0.299 8.761 10.677 1.00 0.00 O ATOM 427 CB ASN A 25 -2.364 7.832 8.956 1.00 0.00 C ATOM 428 CG ASN A 25 -1.432 6.669 8.611 1.00 0.00 C ATOM 429 OD1 ASN A 25 -0.333 6.967 7.935 1.00 0.00 O flip ATOM 430 ND2 ASN A 25 -1.697 5.514 8.948 1.00 0.00 N flip ATOM 0 H ASN A 25 -3.748 9.642 9.938 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.946 7.699 11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.393 7.473 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.300 8.586 8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.552 5.318 9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.061 4.754 8.707 1.00 0.00 H new ATOM 437 N VAL A 26 -0.796 10.471 9.635 1.00 0.00 N ATOM 438 CA VAL A 26 0.373 11.373 9.474 1.00 0.00 C ATOM 439 C VAL A 26 1.021 11.664 10.840 1.00 0.00 C ATOM 440 O VAL A 26 2.232 11.587 10.973 1.00 0.00 O ATOM 441 CB VAL A 26 -0.001 12.739 8.759 1.00 0.00 C ATOM 442 CG1 VAL A 26 1.227 13.687 8.608 1.00 0.00 C ATOM 443 CG2 VAL A 26 -0.652 12.481 7.385 1.00 0.00 C ATOM 0 H VAL A 26 -1.662 10.859 9.262 1.00 0.00 H new ATOM 0 HA VAL A 26 1.082 10.851 8.832 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.722 13.243 9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.917 14.607 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.628 13.922 9.594 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.995 13.195 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.899 13.433 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.044 11.933 6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.561 11.895 7.518 1.00 0.00 H new ATOM 453 N LYS A 27 0.192 11.943 11.860 1.00 0.00 N ATOM 454 CA LYS A 27 0.679 12.290 13.211 1.00 0.00 C ATOM 455 C LYS A 27 1.212 11.050 13.955 1.00 0.00 C ATOM 456 O LYS A 27 2.076 11.164 14.834 1.00 0.00 O ATOM 457 CB LYS A 27 -0.420 13.021 14.018 1.00 0.00 C ATOM 458 CG LYS A 27 -1.669 12.210 14.387 1.00 0.00 C ATOM 459 CD LYS A 27 -2.729 13.071 15.118 1.00 0.00 C ATOM 460 CE LYS A 27 -3.302 14.196 14.239 1.00 0.00 C ATOM 461 NZ LYS A 27 -4.216 15.098 14.999 1.00 0.00 N ATOM 0 H LYS A 27 -0.825 11.935 11.776 1.00 0.00 H new ATOM 0 HA LYS A 27 1.519 12.976 13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.027 13.392 14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.739 13.892 13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.107 11.788 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.382 11.372 15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.543 12.428 15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.281 13.508 16.011 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.483 14.781 13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.842 13.759 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.948 15.469 14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.667 14.565 15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.671 15.889 15.398 1.00 0.00 H new ATOM 475 N ALA A 28 0.689 9.866 13.583 1.00 0.00 N ATOM 476 CA ALA A 28 1.250 8.573 14.009 1.00 0.00 C ATOM 477 C ALA A 28 2.641 8.347 13.374 1.00 0.00 C ATOM 478 O ALA A 28 3.506 7.697 13.968 1.00 0.00 O ATOM 479 CB ALA A 28 0.288 7.432 13.643 1.00 0.00 C ATOM 0 H ALA A 28 -0.130 9.781 12.982 1.00 0.00 H new ATOM 0 HA ALA A 28 1.374 8.585 15.092 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.713 6.481 13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.668 7.588 14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.136 7.417 12.564 1.00 0.00 H new ATOM 485 N LYS A 29 2.836 8.880 12.146 1.00 0.00 N ATOM 486 CA LYS A 29 4.134 8.840 11.446 1.00 0.00 C ATOM 487 C LYS A 29 5.173 9.746 12.146 1.00 0.00 C ATOM 488 O LYS A 29 6.337 9.376 12.213 1.00 0.00 O ATOM 489 CB LYS A 29 3.987 9.227 9.950 1.00 0.00 C ATOM 490 CG LYS A 29 2.966 8.418 9.109 1.00 0.00 C ATOM 491 CD LYS A 29 3.369 6.947 8.761 1.00 0.00 C ATOM 492 CE LYS A 29 2.745 5.866 9.678 1.00 0.00 C ATOM 493 NZ LYS A 29 3.357 5.821 11.035 1.00 0.00 N ATOM 0 H LYS A 29 2.099 9.347 11.617 1.00 0.00 H new ATOM 0 HA LYS A 29 4.495 7.812 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.709 10.280 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.965 9.132 9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.019 8.395 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.789 8.954 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.079 6.740 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.455 6.862 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.676 6.055 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.855 4.890 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.292 4.854 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.356 6.103 10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.851 6.474 11.666 1.00 0.00 H new ATOM 507 N ILE A 30 4.752 10.940 12.650 1.00 0.00 N ATOM 508 CA ILE A 30 5.641 11.815 13.467 1.00 0.00 C ATOM 509 C ILE A 30 6.122 11.051 14.731 1.00 0.00 C ATOM 510 O ILE A 30 7.311 11.076 15.071 1.00 0.00 O ATOM 511 CB ILE A 30 4.955 13.202 13.869 1.00 0.00 C ATOM 512 CG1 ILE A 30 4.941 14.241 12.682 1.00 0.00 C ATOM 513 CG2 ILE A 30 5.613 13.845 15.112 1.00 0.00 C ATOM 514 CD1 ILE A 30 3.836 14.070 11.663 1.00 0.00 C ATOM 0 H ILE A 30 3.814 11.315 12.507 1.00 0.00 H new ATOM 0 HA ILE A 30 6.500 12.068 12.846 1.00 0.00 H new ATOM 0 HB ILE A 30 3.923 12.950 14.113 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.867 15.243 13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.898 14.183 12.164 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.111 14.784 15.344 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.526 13.167 15.961 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.666 14.037 14.908 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.927 14.839 10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.916 13.086 11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.869 14.162 12.156 1.00 0.00 H new ATOM 526 N GLN A 31 5.188 10.336 15.388 1.00 0.00 N ATOM 527 CA GLN A 31 5.501 9.489 16.563 1.00 0.00 C ATOM 528 C GLN A 31 6.415 8.296 16.178 1.00 0.00 C ATOM 529 O GLN A 31 7.136 7.745 17.016 1.00 0.00 O ATOM 530 CB GLN A 31 4.191 8.978 17.217 1.00 0.00 C ATOM 531 CG GLN A 31 4.405 8.174 18.523 1.00 0.00 C ATOM 532 CD GLN A 31 3.122 7.640 19.161 1.00 0.00 C ATOM 533 OE1 GLN A 31 2.122 7.303 18.359 1.00 0.00 O flip ATOM 534 NE2 GLN A 31 3.034 7.519 20.380 1.00 0.00 N flip ATOM 0 H GLN A 31 4.203 10.327 15.125 1.00 0.00 H new ATOM 0 HA GLN A 31 6.044 10.102 17.283 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.548 9.832 17.430 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.661 8.351 16.500 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.067 7.334 18.312 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.917 8.810 19.245 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.817 7.785 20.977 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.178 7.152 20.796 1.00 0.00 H new ATOM 543 N ASP A 32 6.363 7.894 14.905 1.00 0.00 N ATOM 544 CA ASP A 32 7.246 6.843 14.360 1.00 0.00 C ATOM 545 C ASP A 32 8.669 7.391 14.127 1.00 0.00 C ATOM 546 O ASP A 32 9.651 6.659 14.292 1.00 0.00 O ATOM 547 CB ASP A 32 6.648 6.279 13.048 1.00 0.00 C ATOM 548 CG ASP A 32 7.513 5.184 12.389 1.00 0.00 C ATOM 549 OD1 ASP A 32 7.381 4.003 12.767 1.00 0.00 O ATOM 550 OD2 ASP A 32 8.331 5.510 11.497 1.00 0.00 O ATOM 0 H ASP A 32 5.713 8.282 14.221 1.00 0.00 H new ATOM 0 HA ASP A 32 7.317 6.033 15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.659 5.871 13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.513 7.097 12.340 1.00 0.00 H new ATOM 555 N LYS A 33 8.779 8.694 13.790 1.00 0.00 N ATOM 556 CA LYS A 33 10.062 9.305 13.373 1.00 0.00 C ATOM 557 C LYS A 33 10.805 9.883 14.590 1.00 0.00 C ATOM 558 O LYS A 33 11.856 9.364 14.981 1.00 0.00 O ATOM 559 CB LYS A 33 9.829 10.406 12.299 1.00 0.00 C ATOM 560 CG LYS A 33 9.190 9.913 10.980 1.00 0.00 C ATOM 561 CD LYS A 33 10.086 8.939 10.179 1.00 0.00 C ATOM 562 CE LYS A 33 9.395 8.411 8.907 1.00 0.00 C ATOM 563 NZ LYS A 33 10.260 7.460 8.160 1.00 0.00 N ATOM 0 H LYS A 33 7.994 9.345 13.798 1.00 0.00 H new ATOM 0 HA LYS A 33 10.681 8.526 12.929 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.191 11.179 12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.786 10.874 12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.245 9.420 11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.957 10.775 10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.011 9.445 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.361 8.098 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.462 7.917 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.135 9.249 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.810 7.220 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.185 7.899 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.390 6.595 8.722 1.00 0.00 H new ATOM 577 N GLU A 34 10.244 10.944 15.203 1.00 0.00 N ATOM 578 CA GLU A 34 10.877 11.618 16.356 1.00 0.00 C ATOM 579 C GLU A 34 10.499 10.940 17.684 1.00 0.00 C ATOM 580 O GLU A 34 11.256 11.016 18.664 1.00 0.00 O ATOM 581 CB GLU A 34 10.552 13.129 16.379 1.00 0.00 C ATOM 582 CG GLU A 34 9.056 13.511 16.421 1.00 0.00 C ATOM 583 CD GLU A 34 8.803 15.028 16.627 1.00 0.00 C ATOM 584 OE1 GLU A 34 9.690 15.850 16.294 1.00 0.00 O ATOM 585 OE2 GLU A 34 7.722 15.397 17.124 1.00 0.00 O ATOM 0 H GLU A 34 9.354 11.353 14.920 1.00 0.00 H new ATOM 0 HA GLU A 34 11.956 11.519 16.236 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.041 13.570 17.247 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.997 13.587 15.496 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.584 13.196 15.490 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.572 12.959 17.226 1.00 0.00 H new ATOM 592 N GLY A 35 9.328 10.285 17.718 1.00 0.00 N ATOM 593 CA GLY A 35 8.917 9.477 18.874 1.00 0.00 C ATOM 594 C GLY A 35 8.077 10.235 19.874 1.00 0.00 C ATOM 595 O GLY A 35 7.930 9.793 21.023 1.00 0.00 O ATOM 0 H GLY A 35 8.649 10.300 16.957 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.355 8.613 18.521 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.807 9.095 19.375 1.00 0.00 H new ATOM 599 N ILE A 36 7.518 11.375 19.444 1.00 0.00 N ATOM 600 CA ILE A 36 6.644 12.206 20.294 1.00 0.00 C ATOM 601 C ILE A 36 5.179 11.795 20.025 1.00 0.00 C ATOM 602 O ILE A 36 4.766 11.778 18.859 1.00 0.00 O ATOM 603 CB ILE A 36 6.865 13.767 20.061 1.00 0.00 C ATOM 604 CG1 ILE A 36 8.210 14.285 20.697 1.00 0.00 C ATOM 605 CG2 ILE A 36 5.682 14.595 20.625 1.00 0.00 C ATOM 606 CD1 ILE A 36 9.497 13.748 20.096 1.00 0.00 C ATOM 0 H ILE A 36 7.656 11.748 18.505 1.00 0.00 H new ATOM 0 HA ILE A 36 6.897 12.031 21.340 1.00 0.00 H new ATOM 0 HB ILE A 36 6.922 13.905 18.981 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.226 15.372 20.621 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.201 14.040 21.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.864 15.655 20.450 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.759 14.298 20.126 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.590 14.415 21.696 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.351 14.179 20.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.520 12.663 20.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.545 14.016 19.041 1.00 0.00 H new ATOM 618 N PRO A 37 4.368 11.445 21.096 1.00 0.00 N ATOM 619 CA PRO A 37 2.977 10.930 20.927 1.00 0.00 C ATOM 620 C PRO A 37 2.048 11.971 20.261 1.00 0.00 C ATOM 621 O PRO A 37 2.295 13.170 20.417 1.00 0.00 O ATOM 622 CB PRO A 37 2.531 10.608 22.387 1.00 0.00 C ATOM 623 CG PRO A 37 3.398 11.470 23.254 1.00 0.00 C ATOM 624 CD PRO A 37 4.735 11.544 22.543 1.00 0.00 C ATOM 0 HA PRO A 37 2.929 10.064 20.267 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.475 10.833 22.536 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.667 9.552 22.618 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.965 12.462 23.379 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.506 11.041 24.250 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.255 12.477 22.762 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.396 10.732 22.846 1.00 0.00 H new ATOM 632 N PRO A 38 0.960 11.534 19.522 1.00 0.00 N ATOM 633 CA PRO A 38 0.015 12.457 18.832 1.00 0.00 C ATOM 634 C PRO A 38 -0.682 13.453 19.787 1.00 0.00 C ATOM 635 O PRO A 38 -1.262 14.446 19.338 1.00 0.00 O ATOM 636 CB PRO A 38 -1.002 11.506 18.137 1.00 0.00 C ATOM 637 CG PRO A 38 -0.870 10.203 18.864 1.00 0.00 C ATOM 638 CD PRO A 38 0.581 10.117 19.278 1.00 0.00 C ATOM 0 HA PRO A 38 0.536 13.107 18.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.018 11.896 18.206 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.775 11.392 17.077 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.528 10.169 19.732 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.145 9.366 18.222 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.707 9.508 20.174 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.194 9.667 18.498 1.00 0.00 H new ATOM 646 N ASP A 39 -0.613 13.155 21.093 1.00 0.00 N ATOM 647 CA ASP A 39 -1.127 14.028 22.161 1.00 0.00 C ATOM 648 C ASP A 39 -0.207 15.253 22.382 1.00 0.00 C ATOM 649 O ASP A 39 -0.687 16.351 22.671 1.00 0.00 O ATOM 650 CB ASP A 39 -1.258 13.203 23.469 1.00 0.00 C ATOM 651 CG ASP A 39 -1.957 13.951 24.618 1.00 0.00 C ATOM 652 OD1 ASP A 39 -3.091 14.437 24.411 1.00 0.00 O ATOM 653 OD2 ASP A 39 -1.406 14.005 25.736 1.00 0.00 O ATOM 0 H ASP A 39 -0.195 12.293 21.442 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.105 14.407 21.865 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.812 12.289 23.255 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.263 12.903 23.798 1.00 0.00 H new ATOM 658 N GLN A 40 1.117 15.042 22.243 1.00 0.00 N ATOM 659 CA GLN A 40 2.162 16.063 22.535 1.00 0.00 C ATOM 660 C GLN A 40 2.634 16.805 21.281 1.00 0.00 C ATOM 661 O GLN A 40 3.081 17.950 21.372 1.00 0.00 O ATOM 662 CB GLN A 40 3.357 15.399 23.297 1.00 0.00 C ATOM 663 CG GLN A 40 3.290 15.530 24.830 1.00 0.00 C ATOM 664 CD GLN A 40 1.895 15.278 25.403 1.00 0.00 C ATOM 665 OE1 GLN A 40 1.091 16.201 25.539 1.00 0.00 O ATOM 666 NE2 GLN A 40 1.603 14.042 25.734 1.00 0.00 N ATOM 0 H GLN A 40 1.502 14.153 21.923 1.00 0.00 H new ATOM 0 HA GLN A 40 1.713 16.822 23.176 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.394 14.341 23.037 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.288 15.846 22.947 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.991 14.826 25.278 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.616 16.530 25.116 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.295 13.303 25.607 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.684 13.820 26.118 1.00 0.00 H new ATOM 675 N GLN A 41 2.569 16.149 20.129 1.00 0.00 N ATOM 676 CA GLN A 41 2.849 16.797 18.838 1.00 0.00 C ATOM 677 C GLN A 41 1.534 17.356 18.275 1.00 0.00 C ATOM 678 O GLN A 41 0.447 16.833 18.581 1.00 0.00 O ATOM 679 CB GLN A 41 3.570 15.805 17.874 1.00 0.00 C ATOM 680 CG GLN A 41 2.840 14.482 17.556 1.00 0.00 C ATOM 681 CD GLN A 41 1.895 14.566 16.364 1.00 0.00 C ATOM 682 OE1 GLN A 41 2.302 14.348 15.235 1.00 0.00 O ATOM 683 NE2 GLN A 41 0.625 14.854 16.599 1.00 0.00 N ATOM 0 H GLN A 41 2.324 15.162 20.055 1.00 0.00 H new ATOM 0 HA GLN A 41 3.536 17.634 18.964 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.758 16.323 16.933 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.542 15.561 18.303 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.582 13.707 17.364 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.274 14.171 18.434 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.311 15.032 17.553 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.039 14.898 15.826 1.00 0.00 H new ATOM 692 N ARG A 42 1.614 18.452 17.504 1.00 0.00 N ATOM 693 CA ARG A 42 0.418 19.126 16.962 1.00 0.00 C ATOM 694 C ARG A 42 0.681 19.602 15.521 1.00 0.00 C ATOM 695 O ARG A 42 1.640 20.330 15.271 1.00 0.00 O ATOM 696 CB ARG A 42 0.022 20.295 17.918 1.00 0.00 C ATOM 697 CG ARG A 42 -1.492 20.430 18.180 1.00 0.00 C ATOM 698 CD ARG A 42 -1.784 21.202 19.469 1.00 0.00 C ATOM 699 NE ARG A 42 -3.206 21.175 19.835 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.724 21.715 20.952 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.967 22.400 21.802 1.00 0.00 N ATOM 702 NH2 ARG A 42 -5.021 21.600 21.187 1.00 0.00 N ATOM 0 H ARG A 42 2.495 18.893 17.240 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.421 18.432 16.911 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.531 20.154 18.872 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.389 21.231 17.496 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.962 20.939 17.338 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.939 19.438 18.242 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.195 20.779 20.283 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.463 22.237 19.349 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.849 20.712 19.193 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.972 22.525 21.613 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.380 22.801 22.644 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.618 21.105 20.524 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.424 22.006 22.031 1.00 0.00 H new ATOM 716 N LEU A 43 -0.211 19.214 14.597 1.00 0.00 N ATOM 717 CA LEU A 43 -0.029 19.408 13.139 1.00 0.00 C ATOM 718 C LEU A 43 -0.668 20.726 12.722 1.00 0.00 C ATOM 719 O LEU A 43 -1.833 20.945 13.010 1.00 0.00 O ATOM 720 CB LEU A 43 -0.680 18.222 12.352 1.00 0.00 C ATOM 721 CG LEU A 43 0.224 16.983 12.092 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.438 17.378 11.224 1.00 0.00 C ATOM 723 CD2 LEU A 43 0.652 16.325 13.410 1.00 0.00 C ATOM 0 H LEU A 43 -1.088 18.752 14.836 1.00 0.00 H new ATOM 0 HA LEU A 43 1.036 19.434 12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.562 17.892 12.901 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.026 18.600 11.390 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.352 16.241 11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.062 16.501 11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.090 17.771 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.021 18.141 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.283 15.462 13.198 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.210 17.043 14.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.232 16.002 13.959 1.00 0.00 H new ATOM 735 N ILE A 44 0.100 21.606 12.047 1.00 0.00 N ATOM 736 CA ILE A 44 -0.370 22.948 11.651 1.00 0.00 C ATOM 737 C ILE A 44 0.139 23.309 10.254 1.00 0.00 C ATOM 738 O ILE A 44 1.343 23.408 10.040 1.00 0.00 O ATOM 739 CB ILE A 44 0.094 24.051 12.680 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.501 23.748 14.088 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.282 25.490 12.212 1.00 0.00 C ATOM 742 CD1 ILE A 44 0.051 24.582 15.196 1.00 0.00 C ATOM 0 H ILE A 44 1.059 21.407 11.763 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.460 22.918 11.643 1.00 0.00 H new ATOM 0 HB ILE A 44 1.182 24.016 12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.581 23.891 14.049 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.327 22.698 14.322 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.058 26.214 12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.197 25.698 11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.364 25.565 12.101 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.423 24.299 16.136 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.127 24.423 15.270 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.147 25.634 14.993 1.00 0.00 H new ATOM 754 N PHE A 45 -0.799 23.527 9.326 1.00 0.00 N ATOM 755 CA PHE A 45 -0.510 23.983 7.960 1.00 0.00 C ATOM 756 C PHE A 45 -1.265 25.290 7.732 1.00 0.00 C ATOM 757 O PHE A 45 -2.453 25.355 8.027 1.00 0.00 O ATOM 758 CB PHE A 45 -0.953 22.903 6.947 1.00 0.00 C ATOM 759 CG PHE A 45 -0.711 23.242 5.469 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.505 22.938 4.857 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.713 23.830 4.686 1.00 0.00 C ATOM 762 CE1 PHE A 45 0.719 23.209 3.519 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.496 24.105 3.351 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.283 23.791 2.767 1.00 0.00 C ATOM 0 H PHE A 45 -1.794 23.390 9.504 1.00 0.00 H new ATOM 0 HA PHE A 45 0.558 24.150 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.429 21.976 7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.017 22.712 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.293 22.483 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.666 24.071 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.667 22.966 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.275 24.566 2.762 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.118 24.001 1.721 1.00 0.00 H new ATOM 774 N ALA A 46 -0.557 26.326 7.250 1.00 0.00 N ATOM 775 CA ALA A 46 -1.155 27.640 6.895 1.00 0.00 C ATOM 776 C ALA A 46 -1.770 28.364 8.118 1.00 0.00 C ATOM 777 O ALA A 46 -2.608 29.257 7.957 1.00 0.00 O ATOM 778 CB ALA A 46 -2.196 27.470 5.761 1.00 0.00 C ATOM 0 H ALA A 46 0.450 26.283 7.092 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.347 28.277 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.625 28.441 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.709 27.052 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.988 26.798 6.092 1.00 0.00 H new ATOM 784 N GLY A 47 -1.333 27.977 9.334 1.00 0.00 N ATOM 785 CA GLY A 47 -1.809 28.589 10.579 1.00 0.00 C ATOM 786 C GLY A 47 -3.126 27.998 11.091 1.00 0.00 C ATOM 787 O GLY A 47 -3.848 28.662 11.836 1.00 0.00 O ATOM 0 H GLY A 47 -0.645 27.237 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.045 28.470 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.939 29.660 10.421 1.00 0.00 H new ATOM 791 N LYS A 48 -3.449 26.758 10.677 1.00 0.00 N ATOM 792 CA LYS A 48 -4.618 26.001 11.207 1.00 0.00 C ATOM 793 C LYS A 48 -4.162 24.599 11.652 1.00 0.00 C ATOM 794 O LYS A 48 -3.256 24.020 11.042 1.00 0.00 O ATOM 795 CB LYS A 48 -5.733 25.900 10.123 1.00 0.00 C ATOM 796 CG LYS A 48 -5.419 24.924 8.959 1.00 0.00 C ATOM 797 CD LYS A 48 -6.267 25.160 7.699 1.00 0.00 C ATOM 798 CE LYS A 48 -5.949 26.484 6.994 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.927 26.772 5.915 1.00 0.00 N ATOM 0 H LYS A 48 -2.917 26.249 9.971 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.030 26.528 12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.660 25.585 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.909 26.893 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.365 25.014 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.575 23.902 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.107 24.337 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.322 25.146 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.957 27.296 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.944 26.442 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.684 27.674 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.901 26.008 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.883 26.836 6.321 1.00 0.00 H new ATOM 813 N GLN A 49 -4.788 24.058 12.719 1.00 0.00 N ATOM 814 CA GLN A 49 -4.459 22.710 13.226 1.00 0.00 C ATOM 815 C GLN A 49 -5.218 21.660 12.394 1.00 0.00 C ATOM 816 O GLN A 49 -6.400 21.839 12.062 1.00 0.00 O ATOM 817 CB GLN A 49 -4.775 22.589 14.752 1.00 0.00 C ATOM 818 CG GLN A 49 -3.902 21.578 15.551 1.00 0.00 C ATOM 819 CD GLN A 49 -4.134 20.091 15.245 1.00 0.00 C ATOM 820 OE1 GLN A 49 -3.209 19.279 15.302 1.00 0.00 O ATOM 821 NE2 GLN A 49 -5.368 19.717 14.954 1.00 0.00 N ATOM 0 H GLN A 49 -5.522 24.533 13.244 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.389 22.531 13.118 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.662 23.574 15.205 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.821 22.304 14.865 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.853 21.807 15.362 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.077 21.740 16.615 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.115 20.410 14.914 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.573 18.735 14.770 1.00 0.00 H new ATOM 830 N LEU A 50 -4.524 20.566 12.069 1.00 0.00 N ATOM 831 CA LEU A 50 -5.019 19.546 11.154 1.00 0.00 C ATOM 832 C LEU A 50 -5.783 18.445 11.929 1.00 0.00 C ATOM 833 O LEU A 50 -5.213 17.773 12.805 1.00 0.00 O ATOM 834 CB LEU A 50 -3.830 18.966 10.361 1.00 0.00 C ATOM 835 CG LEU A 50 -2.842 20.001 9.722 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.758 19.284 8.903 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.577 21.071 8.882 1.00 0.00 C ATOM 0 H LEU A 50 -3.595 20.366 12.439 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.725 19.989 10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.261 18.317 11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.226 18.336 9.564 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.353 20.532 10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.083 20.021 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.194 18.615 9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.226 18.707 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.850 21.765 8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.126 20.586 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.274 21.617 9.518 1.00 0.00 H new ATOM 849 N GLU A 51 -7.067 18.278 11.581 1.00 0.00 N ATOM 850 CA GLU A 51 -7.996 17.352 12.249 1.00 0.00 C ATOM 851 C GLU A 51 -7.703 15.904 11.834 1.00 0.00 C ATOM 852 O GLU A 51 -7.509 15.638 10.644 1.00 0.00 O ATOM 853 CB GLU A 51 -9.452 17.731 11.859 1.00 0.00 C ATOM 854 CG GLU A 51 -10.562 16.824 12.440 1.00 0.00 C ATOM 855 CD GLU A 51 -11.960 17.183 11.902 1.00 0.00 C ATOM 856 OE1 GLU A 51 -12.498 18.248 12.276 1.00 0.00 O ATOM 857 OE2 GLU A 51 -12.528 16.401 11.109 1.00 0.00 O ATOM 0 H GLU A 51 -7.498 18.792 10.813 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.869 17.430 13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.640 18.755 12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.532 17.720 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.340 15.784 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.562 16.907 13.527 1.00 0.00 H new ATOM 864 N ASP A 52 -7.762 14.989 12.821 1.00 0.00 N ATOM 865 CA ASP A 52 -7.467 13.552 12.652 1.00 0.00 C ATOM 866 C ASP A 52 -8.269 12.933 11.492 1.00 0.00 C ATOM 867 O ASP A 52 -7.690 12.277 10.617 1.00 0.00 O ATOM 868 CB ASP A 52 -7.801 12.790 13.964 1.00 0.00 C ATOM 869 CG ASP A 52 -6.901 13.175 15.140 1.00 0.00 C ATOM 870 OD1 ASP A 52 -7.065 14.283 15.690 1.00 0.00 O ATOM 871 OD2 ASP A 52 -5.998 12.396 15.498 1.00 0.00 O ATOM 0 H ASP A 52 -8.021 15.232 13.777 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.406 13.460 12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.839 12.984 14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.713 11.718 13.785 1.00 0.00 H new ATOM 876 N GLY A 53 -9.597 13.189 11.501 1.00 0.00 N ATOM 877 CA GLY A 53 -10.536 12.608 10.536 1.00 0.00 C ATOM 878 C GLY A 53 -10.300 13.052 9.100 1.00 0.00 C ATOM 879 O GLY A 53 -10.574 12.296 8.160 1.00 0.00 O ATOM 0 H GLY A 53 -10.040 13.806 12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.466 11.521 10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.552 12.876 10.826 1.00 0.00 H new ATOM 883 N ARG A 54 -9.772 14.280 8.934 1.00 0.00 N ATOM 884 CA ARG A 54 -9.511 14.886 7.610 1.00 0.00 C ATOM 885 C ARG A 54 -8.214 14.342 6.990 1.00 0.00 C ATOM 886 O ARG A 54 -7.517 13.529 7.602 1.00 0.00 O ATOM 887 CB ARG A 54 -9.464 16.427 7.738 1.00 0.00 C ATOM 888 CG ARG A 54 -10.810 17.043 8.170 1.00 0.00 C ATOM 889 CD ARG A 54 -10.812 18.573 8.197 1.00 0.00 C ATOM 890 NE ARG A 54 -12.160 19.101 8.469 1.00 0.00 N ATOM 891 CZ ARG A 54 -12.462 20.137 9.265 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.530 20.783 9.948 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.719 20.520 9.366 1.00 0.00 N ATOM 0 H ARG A 54 -9.513 14.883 9.715 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.326 14.614 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.697 16.702 8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.166 16.856 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.590 16.700 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.066 16.672 9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.120 18.926 8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.455 18.956 7.241 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.940 18.633 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.554 20.496 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.788 21.568 10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.445 20.030 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.966 21.306 9.967 1.00 0.00 H new ATOM 907 N THR A 55 -7.919 14.793 5.764 1.00 0.00 N ATOM 908 CA THR A 55 -6.727 14.364 4.998 1.00 0.00 C ATOM 909 C THR A 55 -5.825 15.562 4.710 1.00 0.00 C ATOM 910 O THR A 55 -6.245 16.719 4.879 1.00 0.00 O ATOM 911 CB THR A 55 -7.123 13.678 3.646 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.971 14.547 2.879 1.00 0.00 O ATOM 913 CG2 THR A 55 -7.828 12.336 3.869 1.00 0.00 C ATOM 0 H THR A 55 -8.499 15.469 5.267 1.00 0.00 H new ATOM 0 HA THR A 55 -6.193 13.636 5.609 1.00 0.00 H new ATOM 0 HB THR A 55 -6.201 13.485 3.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.211 14.109 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.085 11.895 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.165 11.662 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.737 12.495 4.449 1.00 0.00 H new ATOM 921 N LEU A 56 -4.584 15.264 4.271 1.00 0.00 N ATOM 922 CA LEU A 56 -3.616 16.288 3.850 1.00 0.00 C ATOM 923 C LEU A 56 -4.237 17.166 2.739 1.00 0.00 C ATOM 924 O LEU A 56 -4.358 18.382 2.891 1.00 0.00 O ATOM 925 CB LEU A 56 -2.290 15.636 3.351 1.00 0.00 C ATOM 926 CG LEU A 56 -1.400 14.925 4.424 1.00 0.00 C ATOM 927 CD1 LEU A 56 -0.211 14.187 3.761 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.890 15.931 5.487 1.00 0.00 C ATOM 0 H LEU A 56 -4.230 14.310 4.200 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.376 16.913 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.540 14.906 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.690 16.411 2.873 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.023 14.186 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.391 13.702 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.590 13.435 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.404 14.904 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.275 15.407 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.296 16.704 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.740 16.390 5.991 1.00 0.00 H new ATOM 940 N SER A 57 -4.713 16.494 1.676 1.00 0.00 N ATOM 941 CA SER A 57 -5.278 17.126 0.472 1.00 0.00 C ATOM 942 C SER A 57 -6.520 17.979 0.810 1.00 0.00 C ATOM 943 O SER A 57 -6.825 18.940 0.094 1.00 0.00 O ATOM 944 CB SER A 57 -5.639 16.034 -0.563 1.00 0.00 C ATOM 945 OG SER A 57 -5.977 16.591 -1.823 1.00 0.00 O ATOM 0 H SER A 57 -4.715 15.475 1.630 1.00 0.00 H new ATOM 0 HA SER A 57 -4.528 17.795 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.796 15.353 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.476 15.443 -0.191 1.00 0.00 H new ATOM 0 HG SER A 57 -6.197 15.871 -2.450 1.00 0.00 H new ATOM 951 N ASP A 58 -7.218 17.624 1.921 1.00 0.00 N ATOM 952 CA ASP A 58 -8.415 18.355 2.383 1.00 0.00 C ATOM 953 C ASP A 58 -8.013 19.747 2.885 1.00 0.00 C ATOM 954 O ASP A 58 -8.686 20.746 2.601 1.00 0.00 O ATOM 955 CB ASP A 58 -9.129 17.566 3.510 1.00 0.00 C ATOM 956 CG ASP A 58 -10.410 18.253 4.016 1.00 0.00 C ATOM 957 OD1 ASP A 58 -11.490 18.018 3.433 1.00 0.00 O ATOM 958 OD2 ASP A 58 -10.347 19.032 4.990 1.00 0.00 O ATOM 0 H ASP A 58 -6.966 16.831 2.512 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.105 18.464 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.379 16.570 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.441 17.436 4.345 1.00 0.00 H new ATOM 963 N TYR A 59 -6.883 19.797 3.616 1.00 0.00 N ATOM 964 CA TYR A 59 -6.313 21.051 4.136 1.00 0.00 C ATOM 965 C TYR A 59 -5.397 21.740 3.090 1.00 0.00 C ATOM 966 O TYR A 59 -4.631 22.640 3.452 1.00 0.00 O ATOM 967 CB TYR A 59 -5.539 20.772 5.453 1.00 0.00 C ATOM 968 CG TYR A 59 -6.420 20.644 6.694 1.00 0.00 C ATOM 969 CD1 TYR A 59 -7.062 21.770 7.208 1.00 0.00 C ATOM 970 CD2 TYR A 59 -6.586 19.435 7.369 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.831 21.704 8.343 1.00 0.00 C ATOM 972 CE2 TYR A 59 -7.352 19.370 8.510 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.970 20.509 8.996 1.00 0.00 C ATOM 974 OH TYR A 59 -8.730 20.453 10.142 1.00 0.00 O ATOM 0 H TYR A 59 -6.341 18.969 3.862 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.133 21.738 4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.966 19.853 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.821 21.576 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.951 22.717 6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.109 18.542 6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.323 22.589 8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.471 18.429 9.027 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.215 20.814 10.894 1.00 0.00 H new ATOM 984 N ASN A 60 -5.495 21.307 1.804 1.00 0.00 N ATOM 985 CA ASN A 60 -4.749 21.889 0.655 1.00 0.00 C ATOM 986 C ASN A 60 -3.237 21.602 0.753 1.00 0.00 C ATOM 987 O ASN A 60 -2.411 22.319 0.179 1.00 0.00 O ATOM 988 CB ASN A 60 -5.044 23.416 0.508 1.00 0.00 C ATOM 989 CG ASN A 60 -6.522 23.715 0.229 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.934 23.850 -0.924 1.00 0.00 O ATOM 991 ND2 ASN A 60 -7.334 23.786 1.271 1.00 0.00 N ATOM 0 H ASN A 60 -6.102 20.534 1.533 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.104 21.399 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.741 23.929 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.437 23.822 -0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.330 23.957 1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.964 23.670 2.215 1.00 0.00 H new ATOM 998 N ILE A 61 -2.901 20.507 1.453 1.00 0.00 N ATOM 999 CA ILE A 61 -1.524 20.000 1.596 1.00 0.00 C ATOM 1000 C ILE A 61 -1.281 18.954 0.501 1.00 0.00 C ATOM 1001 O ILE A 61 -2.077 18.014 0.347 1.00 0.00 O ATOM 1002 CB ILE A 61 -1.317 19.313 2.996 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.890 20.207 4.130 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.170 18.953 3.262 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -2.154 19.491 5.435 1.00 0.00 C ATOM 0 H ILE A 61 -3.590 19.938 1.945 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.829 20.836 1.511 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.868 18.373 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.193 21.024 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.821 20.655 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.261 18.481 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.521 18.264 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.774 19.860 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.552 20.197 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.877 18.692 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.223 19.067 5.812 1.00 0.00 H new ATOM 1017 N GLN A 62 -0.203 19.120 -0.251 1.00 0.00 N ATOM 1018 CA GLN A 62 0.240 18.122 -1.235 1.00 0.00 C ATOM 1019 C GLN A 62 1.535 17.468 -0.738 1.00 0.00 C ATOM 1020 O GLN A 62 2.024 17.781 0.363 1.00 0.00 O ATOM 1021 CB GLN A 62 0.453 18.778 -2.628 1.00 0.00 C ATOM 1022 CG GLN A 62 1.611 19.805 -2.704 1.00 0.00 C ATOM 1023 CD GLN A 62 2.050 20.125 -4.134 1.00 0.00 C ATOM 1024 OE1 GLN A 62 1.522 21.032 -4.780 1.00 0.00 O ATOM 1025 NE2 GLN A 62 3.023 19.378 -4.633 1.00 0.00 N ATOM 0 H GLN A 62 0.394 19.946 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.530 17.358 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.639 17.990 -3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.471 19.274 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.301 20.727 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.465 19.419 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.437 18.636 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.359 19.545 -5.582 1.00 0.00 H new ATOM 1034 N LYS A 63 2.082 16.559 -1.551 1.00 0.00 N ATOM 1035 CA LYS A 63 3.400 15.976 -1.301 1.00 0.00 C ATOM 1036 C LYS A 63 4.476 17.087 -1.281 1.00 0.00 C ATOM 1037 O LYS A 63 4.428 18.029 -2.089 1.00 0.00 O ATOM 1038 CB LYS A 63 3.749 14.904 -2.364 1.00 0.00 C ATOM 1039 CG LYS A 63 3.860 15.430 -3.816 1.00 0.00 C ATOM 1040 CD LYS A 63 4.436 14.386 -4.794 1.00 0.00 C ATOM 1041 CE LYS A 63 5.836 13.901 -4.381 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.420 12.970 -5.375 1.00 0.00 N ATOM 0 H LYS A 63 1.626 16.210 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 63 3.377 15.486 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.695 14.437 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.988 14.124 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.873 15.737 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.492 16.318 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.761 13.532 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.485 14.818 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.495 14.760 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.776 13.405 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.363 12.669 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.805 12.137 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.502 13.450 -6.294 1.00 0.00 H new ATOM 1056 N GLU A 64 5.385 16.982 -0.304 1.00 0.00 N ATOM 1057 CA GLU A 64 6.554 17.867 -0.128 1.00 0.00 C ATOM 1058 C GLU A 64 6.163 19.261 0.390 1.00 0.00 C ATOM 1059 O GLU A 64 7.018 20.157 0.450 1.00 0.00 O ATOM 1060 CB GLU A 64 7.417 17.934 -1.423 1.00 0.00 C ATOM 1061 CG GLU A 64 7.951 16.561 -1.894 1.00 0.00 C ATOM 1062 CD GLU A 64 8.662 16.628 -3.251 1.00 0.00 C ATOM 1063 OE1 GLU A 64 7.975 16.584 -4.293 1.00 0.00 O ATOM 1064 OE2 GLU A 64 9.907 16.736 -3.285 1.00 0.00 O ATOM 0 H GLU A 64 5.330 16.257 0.411 1.00 0.00 H new ATOM 0 HA GLU A 64 7.177 17.424 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.821 18.374 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.261 18.601 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.642 16.170 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.121 15.857 -1.959 1.00 0.00 H new ATOM 1071 N SER A 65 4.887 19.433 0.809 1.00 0.00 N ATOM 1072 CA SER A 65 4.448 20.653 1.502 1.00 0.00 C ATOM 1073 C SER A 65 5.098 20.740 2.894 1.00 0.00 C ATOM 1074 O SER A 65 5.217 19.724 3.600 1.00 0.00 O ATOM 1075 CB SER A 65 2.913 20.693 1.625 1.00 0.00 C ATOM 1076 OG SER A 65 2.288 20.702 0.352 1.00 0.00 O ATOM 0 H SER A 65 4.150 18.740 0.676 1.00 0.00 H new ATOM 0 HA SER A 65 4.765 21.513 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.570 19.828 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.615 21.580 2.184 1.00 0.00 H new ATOM 0 HG SER A 65 1.628 21.425 0.317 1.00 0.00 H new ATOM 1082 N THR A 66 5.527 21.956 3.267 1.00 0.00 N ATOM 1083 CA THR A 66 6.153 22.228 4.566 1.00 0.00 C ATOM 1084 C THR A 66 5.126 22.876 5.508 1.00 0.00 C ATOM 1085 O THR A 66 4.455 23.845 5.135 1.00 0.00 O ATOM 1086 CB THR A 66 7.407 23.151 4.411 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.269 22.599 3.405 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.196 23.280 5.731 1.00 0.00 C ATOM 0 H THR A 66 5.448 22.780 2.672 1.00 0.00 H new ATOM 0 HA THR A 66 6.489 21.282 4.991 1.00 0.00 H new ATOM 0 HB THR A 66 7.061 24.145 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.057 23.172 3.299 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.058 23.929 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.552 23.707 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.536 22.295 6.049 1.00 0.00 H new ATOM 1096 N LEU A 67 5.010 22.317 6.719 1.00 0.00 N ATOM 1097 CA LEU A 67 4.028 22.739 7.729 1.00 0.00 C ATOM 1098 C LEU A 67 4.643 22.633 9.133 1.00 0.00 C ATOM 1099 O LEU A 67 5.544 21.829 9.350 1.00 0.00 O ATOM 1100 CB LEU A 67 2.736 21.877 7.632 1.00 0.00 C ATOM 1101 CG LEU A 67 2.910 20.319 7.725 1.00 0.00 C ATOM 1102 CD1 LEU A 67 1.654 19.645 8.307 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.262 19.687 6.348 1.00 0.00 C ATOM 0 H LEU A 67 5.603 21.548 7.030 1.00 0.00 H new ATOM 0 HA LEU A 67 3.756 23.778 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.059 22.190 8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.245 22.107 6.686 1.00 0.00 H new ATOM 0 HG LEU A 67 3.746 20.142 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.809 18.567 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.465 20.031 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.797 19.859 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.373 18.608 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.464 19.897 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.196 20.112 5.981 1.00 0.00 H new ATOM 1115 N HIS A 68 4.131 23.437 10.078 1.00 0.00 N ATOM 1116 CA HIS A 68 4.666 23.508 11.459 1.00 0.00 C ATOM 1117 C HIS A 68 4.159 22.352 12.348 1.00 0.00 C ATOM 1118 O HIS A 68 3.085 21.779 12.114 1.00 0.00 O ATOM 1119 CB HIS A 68 4.332 24.877 12.109 1.00 0.00 C ATOM 1120 CG HIS A 68 5.084 26.038 11.505 1.00 0.00 C ATOM 1121 ND1 HIS A 68 4.478 27.062 10.809 1.00 0.00 N ATOM 1122 CD2 HIS A 68 6.409 26.336 11.521 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.393 27.930 10.425 1.00 0.00 C ATOM 1124 NE2 HIS A 68 6.571 27.515 10.846 1.00 0.00 N ATOM 0 H HIS A 68 3.337 24.056 9.914 1.00 0.00 H new ATOM 0 HA HIS A 68 5.749 23.406 11.383 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.262 25.061 12.016 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.555 24.827 13.175 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.191 25.750 11.982 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.208 28.831 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.458 27.994 10.694 1.00 0.00 H new ATOM 1133 N LEU A 69 4.970 22.041 13.377 1.00 0.00 N ATOM 1134 CA LEU A 69 4.692 21.014 14.388 1.00 0.00 C ATOM 1135 C LEU A 69 4.947 21.646 15.764 1.00 0.00 C ATOM 1136 O LEU A 69 6.057 22.126 16.032 1.00 0.00 O ATOM 1137 CB LEU A 69 5.618 19.772 14.146 1.00 0.00 C ATOM 1138 CG LEU A 69 5.264 18.402 14.852 1.00 0.00 C ATOM 1139 CD1 LEU A 69 5.449 18.440 16.379 1.00 0.00 C ATOM 1140 CD2 LEU A 69 3.847 17.920 14.476 1.00 0.00 C ATOM 0 H LEU A 69 5.861 22.513 13.528 1.00 0.00 H new ATOM 0 HA LEU A 69 3.661 20.666 14.330 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.650 19.590 13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.627 20.049 14.452 1.00 0.00 H new ATOM 0 HG LEU A 69 5.984 17.676 14.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.189 17.469 16.801 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.488 18.672 16.614 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.801 19.206 16.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.638 16.976 14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.115 18.666 14.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.786 17.777 13.397 1.00 0.00 H new ATOM 1152 N VAL A 70 3.918 21.654 16.618 1.00 0.00 N ATOM 1153 CA VAL A 70 4.010 22.157 17.993 1.00 0.00 C ATOM 1154 C VAL A 70 4.208 20.999 18.972 1.00 0.00 C ATOM 1155 O VAL A 70 3.370 20.095 19.064 1.00 0.00 O ATOM 1156 CB VAL A 70 2.744 23.000 18.380 1.00 0.00 C ATOM 1157 CG1 VAL A 70 2.701 23.355 19.893 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.687 24.271 17.507 1.00 0.00 C ATOM 0 H VAL A 70 2.990 21.309 16.372 1.00 0.00 H new ATOM 0 HA VAL A 70 4.876 22.816 18.052 1.00 0.00 H new ATOM 0 HB VAL A 70 1.862 22.388 18.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.805 23.938 20.105 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.684 22.438 20.482 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.584 23.938 20.155 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.808 24.857 17.775 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.585 24.867 17.672 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.628 23.988 16.456 1.00 0.00 H new ATOM 1168 N LEU A 71 5.339 21.051 19.680 1.00 0.00 N ATOM 1169 CA LEU A 71 5.663 20.134 20.767 1.00 0.00 C ATOM 1170 C LEU A 71 5.059 20.652 22.086 1.00 0.00 C ATOM 1171 O LEU A 71 4.923 21.869 22.283 1.00 0.00 O ATOM 1172 CB LEU A 71 7.196 20.003 20.881 1.00 0.00 C ATOM 1173 CG LEU A 71 7.930 19.408 19.641 1.00 0.00 C ATOM 1174 CD1 LEU A 71 9.459 19.457 19.828 1.00 0.00 C ATOM 1175 CD2 LEU A 71 7.453 17.966 19.350 1.00 0.00 C ATOM 0 H LEU A 71 6.066 21.745 19.508 1.00 0.00 H new ATOM 0 HA LEU A 71 5.239 19.151 20.561 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.610 20.991 21.083 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.423 19.379 21.746 1.00 0.00 H new ATOM 0 HG LEU A 71 7.678 20.023 18.777 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.947 19.036 18.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.777 20.491 19.959 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.737 18.878 20.709 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.982 17.576 18.480 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.659 17.333 20.213 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.381 17.970 19.151 1.00 0.00 H new ATOM 1187 N ARG A 72 4.671 19.718 22.966 1.00 0.00 N ATOM 1188 CA ARG A 72 4.039 20.034 24.269 1.00 0.00 C ATOM 1189 C ARG A 72 4.866 19.455 25.436 1.00 0.00 C ATOM 1190 O ARG A 72 4.998 20.101 26.479 1.00 0.00 O ATOM 1191 CB ARG A 72 2.587 19.470 24.281 1.00 0.00 C ATOM 1192 CG ARG A 72 1.610 20.187 23.306 1.00 0.00 C ATOM 1193 CD ARG A 72 0.301 19.402 23.056 1.00 0.00 C ATOM 1194 NE ARG A 72 -0.325 18.889 24.300 1.00 0.00 N ATOM 1195 CZ ARG A 72 -1.613 19.052 24.653 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -2.430 19.826 23.947 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -2.073 18.459 25.739 1.00 0.00 N ATOM 0 H ARG A 72 4.784 18.718 22.800 1.00 0.00 H new ATOM 0 HA ARG A 72 4.005 21.116 24.400 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.620 18.410 24.028 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.190 19.544 25.293 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.364 21.170 23.708 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.114 20.350 22.353 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.409 20.049 22.541 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.510 18.564 22.391 1.00 0.00 H new ATOM 0 HE ARG A 72 0.272 18.368 24.942 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.084 20.311 23.119 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.403 19.935 24.233 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.453 17.881 26.306 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.049 18.579 26.011 1.00 0.00 H new ATOM 1211 N LEU A 73 5.379 18.212 25.242 1.00 0.00 N ATOM 1212 CA LEU A 73 6.192 17.450 26.246 1.00 0.00 C ATOM 1213 C LEU A 73 5.504 17.350 27.634 1.00 0.00 C ATOM 1214 O LEU A 73 6.173 17.244 28.672 1.00 0.00 O ATOM 1215 CB LEU A 73 7.651 18.012 26.371 1.00 0.00 C ATOM 1216 CG LEU A 73 8.650 17.714 25.193 1.00 0.00 C ATOM 1217 CD1 LEU A 73 8.764 16.202 24.902 1.00 0.00 C ATOM 1218 CD2 LEU A 73 8.291 18.508 23.925 1.00 0.00 C ATOM 0 H LEU A 73 5.241 17.697 24.372 1.00 0.00 H new ATOM 0 HA LEU A 73 6.262 16.433 25.860 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.585 19.093 26.490 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.086 17.616 27.289 1.00 0.00 H new ATOM 0 HG LEU A 73 9.633 18.053 25.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.464 16.041 24.082 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.124 15.686 25.792 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.785 15.810 24.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.005 18.274 23.135 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.287 18.238 23.599 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.327 19.576 24.142 1.00 0.00 H new ATOM 1358 N LYS B 201 11.580 27.754 24.730 1.00 0.00 N ATOM 1359 CA LYS B 201 11.168 29.017 24.083 1.00 0.00 C ATOM 1360 C LYS B 201 10.954 28.744 22.588 1.00 0.00 C ATOM 1361 O LYS B 201 11.861 28.272 21.889 1.00 0.00 O ATOM 1362 CB LYS B 201 12.204 30.157 24.297 1.00 0.00 C ATOM 1363 CG LYS B 201 12.234 30.767 25.723 1.00 0.00 C ATOM 1364 CD LYS B 201 12.759 29.805 26.811 1.00 0.00 C ATOM 1365 CE LYS B 201 12.829 30.476 28.189 1.00 0.00 C ATOM 1366 NZ LYS B 201 13.680 31.701 28.171 1.00 0.00 N ATOM 0 HA LYS B 201 10.241 29.362 24.542 1.00 0.00 H new ATOM 0 HB2 LYS B 201 13.197 29.772 24.064 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.995 30.954 23.583 1.00 0.00 H new ATOM 0 HG2 LYS B 201 12.859 31.660 25.711 1.00 0.00 H new ATOM 0 HG3 LYS B 201 11.227 31.086 25.991 1.00 0.00 H new ATOM 0 HD2 LYS B 201 12.109 28.931 26.866 1.00 0.00 H new ATOM 0 HD3 LYS B 201 13.750 29.448 26.531 1.00 0.00 H new ATOM 0 HE2 LYS B 201 11.823 30.738 28.516 1.00 0.00 H new ATOM 0 HE3 LYS B 201 13.227 29.769 28.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 13.910 31.978 29.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 14.559 31.506 27.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 13.165 32.474 27.703 1.00 0.00 H new ATOM 1380 N VAL B 202 9.744 29.045 22.123 1.00 0.00 N ATOM 1381 CA VAL B 202 9.227 28.635 20.808 1.00 0.00 C ATOM 1382 C VAL B 202 8.261 29.712 20.282 1.00 0.00 C ATOM 1383 O VAL B 202 8.089 30.745 20.922 1.00 0.00 O ATOM 1384 CB VAL B 202 8.495 27.237 20.921 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.486 26.058 21.105 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.457 27.249 22.068 1.00 0.00 C ATOM 0 H VAL B 202 9.074 29.595 22.660 1.00 0.00 H new ATOM 0 HA VAL B 202 10.056 28.529 20.108 1.00 0.00 H new ATOM 0 HB VAL B 202 7.978 27.079 19.974 1.00 0.00 H new ATOM 0 HG11 VAL B 202 8.930 25.123 21.177 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.161 26.014 20.251 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.064 26.207 22.017 1.00 0.00 H new ATOM 0 HG21 VAL B 202 6.967 26.277 22.126 1.00 0.00 H new ATOM 0 HG22 VAL B 202 7.960 27.458 23.012 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.711 28.020 21.876 1.00 0.00 H new ATOM 1396 N ASP B 203 7.649 29.480 19.104 1.00 0.00 N ATOM 1397 CA ASP B 203 6.709 30.452 18.480 1.00 0.00 C ATOM 1398 C ASP B 203 5.327 29.828 18.273 1.00 0.00 C ATOM 1399 O ASP B 203 5.214 28.668 17.881 1.00 0.00 O ATOM 1400 CB ASP B 203 7.262 30.980 17.127 1.00 0.00 C ATOM 1401 CG ASP B 203 8.465 31.915 17.296 1.00 0.00 C ATOM 1402 OD1 ASP B 203 9.607 31.421 17.405 1.00 0.00 O ATOM 1403 OD2 ASP B 203 8.271 33.152 17.348 1.00 0.00 O ATOM 0 H ASP B 203 7.785 28.628 18.559 1.00 0.00 H new ATOM 0 HA ASP B 203 6.611 31.294 19.165 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.551 30.134 16.504 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.469 31.509 16.598 1.00 0.00 H new ATOM 1408 N CYS B 204 4.277 30.618 18.560 1.00 0.00 N ATOM 1409 CA CYS B 204 2.874 30.250 18.322 1.00 0.00 C ATOM 1410 C CYS B 204 2.570 30.450 16.827 1.00 0.00 C ATOM 1411 O CYS B 204 2.338 31.578 16.405 1.00 0.00 O ATOM 1412 CB CYS B 204 1.964 31.112 19.227 1.00 0.00 C ATOM 1413 SG CYS B 204 0.194 30.678 19.276 1.00 0.00 S ATOM 0 H CYS B 204 4.384 31.545 18.971 1.00 0.00 H new ATOM 0 HA CYS B 204 2.687 29.206 18.572 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.353 31.062 20.244 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.049 32.149 18.903 1.00 0.00 H new ATOM 0 HG CYS B 204 -0.297 30.721 18.073 1.00 0.00 H new ATOM 1418 N PRO B 205 2.567 29.354 15.997 1.00 0.00 N ATOM 1419 CA PRO B 205 2.726 29.453 14.520 1.00 0.00 C ATOM 1420 C PRO B 205 1.425 29.801 13.768 1.00 0.00 C ATOM 1421 O PRO B 205 1.304 29.519 12.573 1.00 0.00 O ATOM 1422 CB PRO B 205 3.252 28.042 14.169 1.00 0.00 C ATOM 1423 CG PRO B 205 2.532 27.142 15.125 1.00 0.00 C ATOM 1424 CD PRO B 205 2.368 27.935 16.414 1.00 0.00 C ATOM 0 HA PRO B 205 3.385 30.267 14.220 1.00 0.00 H new ATOM 0 HB2 PRO B 205 3.035 27.781 13.133 1.00 0.00 H new ATOM 0 HB3 PRO B 205 4.333 27.976 14.294 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.563 26.845 14.725 1.00 0.00 H new ATOM 0 HG3 PRO B 205 3.098 26.227 15.300 1.00 0.00 H new ATOM 0 HD2 PRO B 205 1.382 27.783 16.853 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.100 27.633 17.163 1.00 0.00 H new ATOM 1432 N VAL B 206 0.456 30.377 14.497 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.756 30.968 13.908 1.00 0.00 C ATOM 1434 C VAL B 206 -0.654 32.509 13.944 1.00 0.00 C ATOM 1435 O VAL B 206 -0.707 33.169 12.903 1.00 0.00 O ATOM 1436 CB VAL B 206 -2.058 30.491 14.658 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.333 31.073 14.002 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -2.122 28.944 14.730 1.00 0.00 C ATOM 0 H VAL B 206 0.491 30.446 15.514 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.829 30.631 12.874 1.00 0.00 H new ATOM 0 HB VAL B 206 -2.011 30.873 15.678 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.212 30.724 14.544 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.295 32.162 14.035 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.391 30.743 12.965 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -3.030 28.641 15.252 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.130 28.533 13.721 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.252 28.568 15.268 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.488 33.069 15.168 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.478 34.537 15.393 1.00 0.00 C ATOM 1450 C CYS B 207 0.961 35.105 15.323 1.00 0.00 C ATOM 1451 O CYS B 207 1.150 36.288 15.037 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.151 34.888 16.743 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.260 34.302 18.219 1.00 0.00 S ATOM 0 H CYS B 207 -0.358 32.522 16.019 1.00 0.00 H new ATOM 0 HA CYS B 207 -1.055 35.004 14.595 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.259 35.971 16.808 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.156 34.466 16.752 1.00 0.00 H new ATOM 0 HG CYS B 207 -0.288 33.003 18.255 1.00 0.00 H new ATOM 1458 N GLY B 208 1.968 34.241 15.576 1.00 0.00 N ATOM 1459 CA GLY B 208 3.391 34.601 15.430 1.00 0.00 C ATOM 1460 C GLY B 208 3.981 35.332 16.634 1.00 0.00 C ATOM 1461 O GLY B 208 4.563 36.412 16.487 1.00 0.00 O ATOM 0 H GLY B 208 1.817 33.281 15.885 1.00 0.00 H new ATOM 0 HA2 GLY B 208 3.967 33.693 15.253 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.506 35.229 14.546 1.00 0.00 H new ATOM 1465 N VAL B 209 3.822 34.753 17.835 1.00 0.00 N ATOM 1466 CA VAL B 209 4.387 35.313 19.092 1.00 0.00 C ATOM 1467 C VAL B 209 5.364 34.302 19.734 1.00 0.00 C ATOM 1468 O VAL B 209 5.054 33.110 19.815 1.00 0.00 O ATOM 1469 CB VAL B 209 3.249 35.719 20.110 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.380 36.858 19.540 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.366 34.510 20.503 1.00 0.00 C ATOM 0 H VAL B 209 3.302 33.886 17.971 1.00 0.00 H new ATOM 0 HA VAL B 209 4.936 36.220 18.840 1.00 0.00 H new ATOM 0 HB VAL B 209 3.742 36.075 21.015 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.604 37.119 20.260 1.00 0.00 H new ATOM 0 HG12 VAL B 209 3.004 37.730 19.347 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.916 36.531 18.609 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.597 34.834 21.204 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.894 34.099 19.611 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.985 33.745 20.971 1.00 0.00 H new ATOM 1481 N ASN B 210 6.544 34.781 20.181 1.00 0.00 N ATOM 1482 CA ASN B 210 7.574 33.922 20.807 1.00 0.00 C ATOM 1483 C ASN B 210 7.309 33.822 22.323 1.00 0.00 C ATOM 1484 O ASN B 210 7.402 34.819 23.048 1.00 0.00 O ATOM 1485 CB ASN B 210 9.000 34.450 20.517 1.00 0.00 C ATOM 1486 CG ASN B 210 10.099 33.497 21.023 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.610 33.637 22.132 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.452 32.512 20.217 1.00 0.00 N ATOM 0 H ASN B 210 6.809 35.764 20.120 1.00 0.00 H new ATOM 0 HA ASN B 210 7.512 32.924 20.373 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.118 34.597 19.443 1.00 0.00 H new ATOM 0 HB3 ASN B 210 9.125 35.425 20.988 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.165 31.844 20.510 1.00 0.00 H new ATOM 0 HD22 ASN B 210 10.012 32.419 19.302 1.00 0.00 H new ATOM 1495 N ILE B 211 6.966 32.603 22.777 1.00 0.00 N ATOM 1496 CA ILE B 211 6.490 32.314 24.148 1.00 0.00 C ATOM 1497 C ILE B 211 7.024 30.934 24.627 1.00 0.00 C ATOM 1498 O ILE B 211 7.447 30.122 23.796 1.00 0.00 O ATOM 1499 CB ILE B 211 4.903 32.330 24.192 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.313 31.451 23.033 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.353 33.779 24.150 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.800 31.453 22.921 1.00 0.00 C ATOM 0 H ILE B 211 7.012 31.770 22.190 1.00 0.00 H new ATOM 0 HA ILE B 211 6.869 33.086 24.817 1.00 0.00 H new ATOM 0 HB ILE B 211 4.582 31.895 25.138 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.731 31.798 22.088 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.649 30.423 23.172 1.00 0.00 H new ATOM 0 HG21 ILE B 211 3.264 33.756 24.182 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.729 34.336 25.008 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.679 34.265 23.231 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.496 30.816 22.090 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.366 31.074 23.846 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.449 32.470 22.745 1.00 0.00 H new ATOM 1514 N PRO B 212 7.046 30.661 25.985 1.00 0.00 N ATOM 1515 CA PRO B 212 7.383 29.316 26.543 1.00 0.00 C ATOM 1516 C PRO B 212 6.435 28.195 26.027 1.00 0.00 C ATOM 1517 O PRO B 212 5.297 28.475 25.650 1.00 0.00 O ATOM 1518 CB PRO B 212 7.247 29.517 28.084 1.00 0.00 C ATOM 1519 CG PRO B 212 6.423 30.758 28.244 1.00 0.00 C ATOM 1520 CD PRO B 212 6.809 31.641 27.080 1.00 0.00 C ATOM 0 HA PRO B 212 8.376 28.984 26.238 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.764 28.660 28.552 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.224 29.629 28.555 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.358 30.528 28.228 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.629 31.248 29.196 1.00 0.00 H new ATOM 0 HD2 PRO B 212 6.017 32.346 26.827 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.701 32.229 27.297 1.00 0.00 H new ATOM 1528 N GLU B 213 6.930 26.941 26.057 1.00 0.00 N ATOM 1529 CA GLU B 213 6.267 25.760 25.449 1.00 0.00 C ATOM 1530 C GLU B 213 4.928 25.380 26.136 1.00 0.00 C ATOM 1531 O GLU B 213 4.010 24.842 25.496 1.00 0.00 O ATOM 1532 CB GLU B 213 7.273 24.576 25.442 1.00 0.00 C ATOM 1533 CG GLU B 213 6.810 23.319 24.677 1.00 0.00 C ATOM 1534 CD GLU B 213 7.948 22.314 24.426 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.448 21.711 25.400 1.00 0.00 O ATOM 1536 OE2 GLU B 213 8.372 22.150 23.262 1.00 0.00 O ATOM 0 H GLU B 213 7.815 26.713 26.510 1.00 0.00 H new ATOM 0 HA GLU B 213 5.988 26.015 24.427 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.211 24.921 25.006 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.485 24.295 26.474 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.017 22.828 25.242 1.00 0.00 H new ATOM 0 HG3 GLU B 213 6.381 23.620 23.721 1.00 0.00 H new ATOM 1543 N SER B 214 4.813 25.672 27.437 1.00 0.00 N ATOM 1544 CA SER B 214 3.543 25.517 28.180 1.00 0.00 C ATOM 1545 C SER B 214 2.473 26.485 27.612 1.00 0.00 C ATOM 1546 O SER B 214 1.312 26.106 27.353 1.00 0.00 O ATOM 1547 CB SER B 214 3.791 25.791 29.681 1.00 0.00 C ATOM 1548 OG SER B 214 4.874 25.014 30.170 1.00 0.00 O ATOM 0 H SER B 214 5.585 26.019 28.005 1.00 0.00 H new ATOM 0 HA SER B 214 3.173 24.498 28.065 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.002 26.850 29.831 1.00 0.00 H new ATOM 0 HB3 SER B 214 2.889 25.562 30.249 1.00 0.00 H new ATOM 0 HG SER B 214 5.012 25.207 31.121 1.00 0.00 H new ATOM 1554 N HIS B 215 2.917 27.729 27.362 1.00 0.00 N ATOM 1555 CA HIS B 215 2.052 28.820 26.888 1.00 0.00 C ATOM 1556 C HIS B 215 1.823 28.732 25.371 1.00 0.00 C ATOM 1557 O HIS B 215 0.850 29.292 24.871 1.00 0.00 O ATOM 1558 CB HIS B 215 2.675 30.183 27.283 1.00 0.00 C ATOM 1559 CG HIS B 215 1.812 31.399 27.021 1.00 0.00 C ATOM 1560 ND1 HIS B 215 2.338 32.636 26.763 1.00 0.00 N ATOM 1561 CD2 HIS B 215 0.459 31.565 27.009 1.00 0.00 C ATOM 1562 CE1 HIS B 215 1.366 33.503 26.609 1.00 0.00 C ATOM 1563 NE2 HIS B 215 0.216 32.883 26.755 1.00 0.00 N ATOM 0 H HIS B 215 3.891 28.006 27.484 1.00 0.00 H new ATOM 0 HA HIS B 215 1.076 28.727 27.364 1.00 0.00 H new ATOM 0 HB2 HIS B 215 2.920 30.156 28.345 1.00 0.00 H new ATOM 0 HB3 HIS B 215 3.614 30.303 26.742 1.00 0.00 H new ATOM 0 HD2 HIS B 215 -0.282 30.796 27.170 1.00 0.00 H new ATOM 0 HE1 HIS B 215 1.490 34.555 26.397 1.00 0.00 H new ATOM 0 HE2 HIS B 215 -0.705 33.316 26.689 1.00 0.00 H new ATOM 1572 N ILE B 216 2.720 28.036 24.634 1.00 0.00 N ATOM 1573 CA ILE B 216 2.553 27.835 23.182 1.00 0.00 C ATOM 1574 C ILE B 216 1.376 26.882 22.963 1.00 0.00 C ATOM 1575 O ILE B 216 0.546 27.126 22.098 1.00 0.00 O ATOM 1576 CB ILE B 216 3.882 27.341 22.440 1.00 0.00 C ATOM 1577 CG1 ILE B 216 3.927 27.801 20.939 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.094 25.803 22.506 1.00 0.00 C ATOM 1579 CD1 ILE B 216 2.953 27.102 19.997 1.00 0.00 C ATOM 0 H ILE B 216 3.561 27.608 25.021 1.00 0.00 H new ATOM 0 HA ILE B 216 2.341 28.801 22.724 1.00 0.00 H new ATOM 0 HB ILE B 216 4.695 27.815 22.989 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.732 28.873 20.902 1.00 0.00 H new ATOM 0 HG13 ILE B 216 4.939 27.648 20.563 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.013 25.540 21.983 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.167 25.490 23.548 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.251 25.299 22.034 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.073 27.499 18.989 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.157 26.031 19.992 1.00 0.00 H new ATOM 0 HD13 ILE B 216 1.932 27.275 20.336 1.00 0.00 H new ATOM 1591 N ASN B 217 1.300 25.838 23.811 1.00 0.00 N ATOM 1592 CA ASN B 217 0.204 24.874 23.796 1.00 0.00 C ATOM 1593 C ASN B 217 -1.138 25.598 24.032 1.00 0.00 C ATOM 1594 O ASN B 217 -2.063 25.489 23.220 1.00 0.00 O ATOM 1595 CB ASN B 217 0.443 23.793 24.886 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.629 22.699 24.904 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -1.188 22.341 23.868 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -0.913 22.151 26.079 1.00 0.00 N ATOM 0 H ASN B 217 2.004 25.647 24.524 1.00 0.00 H new ATOM 0 HA ASN B 217 0.165 24.386 22.822 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.418 23.333 24.723 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.477 24.274 25.863 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -1.612 21.411 26.141 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -0.432 22.470 26.920 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.177 26.406 25.118 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.403 27.096 25.570 1.00 0.00 C ATOM 1607 C LYS B 218 -2.895 28.141 24.536 1.00 0.00 C ATOM 1608 O LYS B 218 -4.094 28.176 24.171 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.152 27.786 26.951 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.433 27.987 27.800 1.00 0.00 C ATOM 1611 CD LYS B 218 -3.943 26.653 28.411 1.00 0.00 C ATOM 1612 CE LYS B 218 -5.368 26.746 28.981 1.00 0.00 C ATOM 1613 NZ LYS B 218 -6.377 26.932 27.906 1.00 0.00 N ATOM 0 H LYS B 218 -0.362 26.596 25.701 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.184 26.343 25.674 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.442 27.187 27.521 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.686 28.756 26.781 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.229 28.698 28.601 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -4.215 28.423 27.178 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -3.916 25.878 27.645 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -3.263 26.342 29.204 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -5.596 25.839 29.542 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -5.426 27.578 29.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -7.331 26.805 28.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -6.291 27.890 27.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -6.216 26.232 27.154 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.947 28.986 24.054 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.255 30.077 23.106 1.00 0.00 C ATOM 1629 C HIS B 219 -2.739 29.486 21.792 1.00 0.00 C ATOM 1630 O HIS B 219 -3.570 30.082 21.113 1.00 0.00 O ATOM 1631 CB HIS B 219 -1.020 31.000 22.841 1.00 0.00 C ATOM 1632 CG HIS B 219 -1.374 32.468 22.702 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -1.157 33.222 21.539 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -1.876 33.287 23.666 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -1.534 34.454 21.873 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -1.966 34.532 23.131 1.00 0.00 N ATOM 0 H HIS B 219 -0.961 28.928 24.310 1.00 0.00 H new ATOM 0 HA HIS B 219 -3.034 30.693 23.556 1.00 0.00 H new ATOM 0 HB2 HIS B 219 -0.308 30.883 23.658 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.519 30.669 21.932 1.00 0.00 H new ATOM 0 HD1 HIS B 219 -0.793 32.900 20.642 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -2.152 33.000 24.670 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -1.494 35.297 21.199 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.178 28.315 21.445 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.535 27.579 20.253 1.00 0.00 C ATOM 1646 C LEU B 220 -3.955 27.021 20.345 1.00 0.00 C ATOM 1647 O LEU B 220 -4.661 27.063 19.358 1.00 0.00 O ATOM 1648 CB LEU B 220 -1.531 26.449 20.015 1.00 0.00 C ATOM 1649 CG LEU B 220 -1.744 25.632 18.724 1.00 0.00 C ATOM 1650 CD1 LEU B 220 -1.696 26.544 17.475 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.718 24.501 18.645 1.00 0.00 C ATOM 0 H LEU B 220 -1.455 27.860 22.002 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.505 28.267 19.408 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -0.528 26.876 19.993 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -1.568 25.768 20.865 1.00 0.00 H new ATOM 0 HG LEU B 220 -2.737 25.183 18.750 1.00 0.00 H new ATOM 0 HD11 LEU B 220 -1.849 25.942 16.579 1.00 0.00 H new ATOM 0 HD12 LEU B 220 -2.480 27.298 17.544 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.725 27.035 17.420 1.00 0.00 H new ATOM 0 HD21 LEU B 220 -0.876 23.930 17.730 1.00 0.00 H new ATOM 0 HD22 LEU B 220 0.288 24.922 18.641 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.833 23.844 19.507 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.367 26.526 21.538 1.00 0.00 N ATOM 1664 CA ASP B 221 -5.750 26.030 21.777 1.00 0.00 C ATOM 1665 C ASP B 221 -6.789 27.102 21.399 1.00 0.00 C ATOM 1666 O ASP B 221 -7.858 26.786 20.862 1.00 0.00 O ATOM 1667 CB ASP B 221 -5.945 25.572 23.255 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.509 24.118 23.507 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.321 23.198 23.273 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.357 23.885 23.931 1.00 0.00 O ATOM 0 H ASP B 221 -3.760 26.458 22.355 1.00 0.00 H new ATOM 0 HA ASP B 221 -5.903 25.161 21.137 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.377 26.233 23.910 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -6.995 25.681 23.526 1.00 0.00 H new ATOM 1675 N SER B 222 -6.440 28.373 21.666 1.00 0.00 N ATOM 1676 CA SER B 222 -7.263 29.524 21.258 1.00 0.00 C ATOM 1677 C SER B 222 -7.069 29.828 19.754 1.00 0.00 C ATOM 1678 O SER B 222 -8.038 30.045 19.018 1.00 0.00 O ATOM 1679 CB SER B 222 -6.893 30.762 22.109 1.00 0.00 C ATOM 1680 OG SER B 222 -7.658 31.904 21.739 1.00 0.00 O ATOM 0 H SER B 222 -5.588 28.629 22.166 1.00 0.00 H new ATOM 0 HA SER B 222 -8.312 29.280 21.423 1.00 0.00 H new ATOM 0 HB2 SER B 222 -7.057 30.541 23.164 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.832 30.981 21.990 1.00 0.00 H new ATOM 0 HG SER B 222 -7.399 32.666 22.298 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.798 29.797 19.314 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.376 30.285 17.986 1.00 0.00 C ATOM 1688 C CYS B 223 -5.707 29.306 16.832 1.00 0.00 C ATOM 1689 O CYS B 223 -5.789 29.725 15.677 1.00 0.00 O ATOM 1690 CB CYS B 223 -3.862 30.614 18.014 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.455 32.112 18.990 1.00 0.00 S ATOM 0 H CYS B 223 -5.028 29.430 19.873 1.00 0.00 H new ATOM 0 HA CYS B 223 -5.951 31.188 17.778 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.321 29.763 18.428 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.509 30.749 16.992 1.00 0.00 H new ATOM 0 HG CYS B 223 -3.357 31.797 20.248 1.00 0.00 H new ATOM 1696 N LEU B 224 -5.910 28.014 17.146 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.150 26.969 16.122 1.00 0.00 C ATOM 1698 C LEU B 224 -7.644 26.900 15.809 1.00 0.00 C ATOM 1699 O LEU B 224 -8.044 26.591 14.678 1.00 0.00 O ATOM 1700 CB LEU B 224 -5.563 25.587 16.575 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.253 24.804 17.768 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -7.486 23.960 17.329 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.233 23.909 18.503 1.00 0.00 C ATOM 0 H LEU B 224 -5.913 27.663 18.104 1.00 0.00 H new ATOM 0 HA LEU B 224 -5.626 27.232 15.203 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -5.567 24.929 15.706 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -4.520 25.748 16.849 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.624 25.570 18.449 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -7.907 23.452 18.197 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.239 24.616 16.892 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -7.176 23.220 16.591 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -5.731 23.382 19.317 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -4.815 23.184 17.804 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.432 24.527 18.907 1.00 0.00 H new