USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 770 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 22 THR OG1 : rot -157:sc= -1.07 USER MOD Set 1.2: B 25 ASN : amide:sc= -2 K(o=-3.1,f=-8.5!) USER MOD Set 2.1: A 22 THR OG1 : rot -139:sc= -1.04 USER MOD Set 2.2: A 25 ASN : amide:sc= -2.06 K(o=-3.1,f=-9.1!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.292 (180deg=-1.63) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0369 (180deg=-0.257) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0501 (180deg=-0.272) USER MOD Single : A 7 THR OG1 : rot -92:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.599) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.99! C(o=-8.2!,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0442 (180deg=-0.223) USER MOD Single : A 40 GLN :FLIP amide:sc= -7.9! C(o=-11!,f=-7.9!) USER MOD Single : A 41 GLN : amide:sc= -5.49! C(o=-5.5!,f=-11!) USER MOD Single : B 1 MET CE :methyl -166:sc= -0.97 (180deg=-1.54) USER MOD Single : B 1 MET N :NH3+ 170:sc= -0.0352 (180deg=-0.178) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.552 F(o=-3!,f=-0.55) USER MOD Single : B 6 LYS NZ :NH3+ -168:sc= -0.0126 (180deg=-0.179) USER MOD Single : B 7 THR OG1 : rot -79:sc= 1.29 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.682) USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= -0.01 (180deg=-0.172) USER MOD Single : B 31 GLN :FLIP amide:sc= -4.22! C(o=-8.6!,f=-4.2!) USER MOD Single : B 33 LYS NZ :NH3+ 166:sc= -0.022 (180deg=-0.233) USER MOD Single : B 40 GLN :FLIP amide:sc= -8.25! C(o=-13!,f=-8.3!) USER MOD Single : B 41 GLN : amide:sc= -5.99! C(o=-6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 1 2.139 -3.675 -12.002 1.00 0.00 N ATOM 22 CA MET A 1 1.689 -2.399 -11.449 1.00 0.00 C ATOM 23 C MET A 1 2.777 -1.744 -10.601 1.00 0.00 C ATOM 24 O MET A 1 3.058 -2.180 -9.485 1.00 0.00 O ATOM 25 CB MET A 1 0.427 -2.601 -10.603 1.00 0.00 C ATOM 26 CG MET A 1 0.565 -3.693 -9.553 1.00 0.00 C ATOM 27 SD MET A 1 -0.919 -3.890 -8.549 1.00 0.00 S ATOM 28 CE MET A 1 -0.955 -2.321 -7.688 1.00 0.00 C ATOM 0 H1 MET A 1 1.326 -4.188 -12.398 1.00 0.00 H new ATOM 0 H2 MET A 1 2.837 -3.501 -12.753 1.00 0.00 H new ATOM 0 H3 MET A 1 2.575 -4.245 -11.249 1.00 0.00 H new ATOM 0 HA MET A 1 1.463 -1.738 -12.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.178 -1.662 -10.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.406 -2.845 -11.262 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.792 -4.638 -10.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.409 -3.461 -8.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.560 -2.415 -6.786 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.060 -2.032 -7.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.387 -1.560 -8.337 1.00 0.00 H new ATOM 38 N GLN A 2 3.378 -0.684 -11.135 1.00 0.00 N ATOM 39 CA GLN A 2 4.423 0.041 -10.425 1.00 0.00 C ATOM 40 C GLN A 2 3.839 0.783 -9.225 1.00 0.00 C ATOM 41 O GLN A 2 2.901 1.568 -9.362 1.00 0.00 O ATOM 42 CB GLN A 2 5.117 1.027 -11.368 1.00 0.00 C ATOM 43 CG GLN A 2 4.179 2.071 -11.957 1.00 0.00 C ATOM 44 CD GLN A 2 4.862 2.995 -12.951 1.00 0.00 C ATOM 45 OE1 GLN A 2 6.148 2.766 -13.199 1.00 0.00 O flip ATOM 46 NE2 GLN A 2 4.236 3.905 -13.494 1.00 0.00 N flip ATOM 0 H GLN A 2 3.158 -0.309 -12.058 1.00 0.00 H new ATOM 0 HA GLN A 2 5.158 -0.678 -10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.916 1.533 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.585 0.471 -12.181 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.348 1.567 -12.451 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.755 2.667 -11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.250 4.047 -13.276 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.703 4.517 -14.162 1.00 0.00 H new ATOM 55 N ILE A 3 4.397 0.525 -8.047 1.00 0.00 N ATOM 56 CA ILE A 3 3.932 1.166 -6.824 1.00 0.00 C ATOM 57 C ILE A 3 4.707 2.446 -6.535 1.00 0.00 C ATOM 58 O ILE A 3 5.927 2.494 -6.695 1.00 0.00 O ATOM 59 CB ILE A 3 4.057 0.224 -5.610 1.00 0.00 C ATOM 60 CG1 ILE A 3 5.508 -0.217 -5.422 1.00 0.00 C ATOM 61 CG2 ILE A 3 3.147 -0.983 -5.773 1.00 0.00 C ATOM 62 CD1 ILE A 3 5.716 -1.112 -4.221 1.00 0.00 C ATOM 0 H ILE A 3 5.172 -0.124 -7.914 1.00 0.00 H new ATOM 0 HA ILE A 3 2.882 1.410 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 3 3.745 0.769 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.839 -0.742 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.138 0.667 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.250 -1.636 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.112 -0.650 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.426 -1.530 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.769 -1.386 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.417 -0.583 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.113 -2.013 -4.330 1.00 0.00 H new ATOM 74 N PHE A 4 3.995 3.476 -6.087 1.00 0.00 N ATOM 75 CA PHE A 4 4.625 4.747 -5.751 1.00 0.00 C ATOM 76 C PHE A 4 5.068 4.724 -4.293 1.00 0.00 C ATOM 77 O PHE A 4 4.293 4.351 -3.412 1.00 0.00 O ATOM 78 CB PHE A 4 3.662 5.914 -5.996 1.00 0.00 C ATOM 79 CG PHE A 4 3.313 6.128 -7.445 1.00 0.00 C ATOM 80 CD1 PHE A 4 2.818 5.090 -8.219 1.00 0.00 C ATOM 81 CD2 PHE A 4 3.479 7.374 -8.030 1.00 0.00 C ATOM 82 CE1 PHE A 4 2.497 5.290 -9.549 1.00 0.00 C ATOM 83 CE2 PHE A 4 3.160 7.580 -9.359 1.00 0.00 C ATOM 84 CZ PHE A 4 2.668 6.536 -10.120 1.00 0.00 C ATOM 0 H PHE A 4 2.985 3.455 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 4 5.495 4.889 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.745 5.738 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.107 6.827 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.681 4.114 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.862 8.194 -7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.113 4.472 -10.141 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.295 8.555 -9.802 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.418 6.694 -11.159 1.00 0.00 H new ATOM 94 N VAL A 5 6.320 5.093 -4.041 1.00 0.00 N ATOM 95 CA VAL A 5 6.854 5.076 -2.682 1.00 0.00 C ATOM 96 C VAL A 5 7.838 6.215 -2.444 1.00 0.00 C ATOM 97 O VAL A 5 8.736 6.450 -3.251 1.00 0.00 O ATOM 98 CB VAL A 5 7.586 3.749 -2.396 1.00 0.00 C ATOM 99 CG1 VAL A 5 8.061 3.694 -0.952 1.00 0.00 C ATOM 100 CG2 VAL A 5 6.701 2.558 -2.721 1.00 0.00 C ATOM 0 H VAL A 5 6.980 5.405 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 5 6.000 5.191 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 5 8.462 3.702 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.574 2.749 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.746 4.521 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.204 3.773 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.241 1.635 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.799 2.598 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.427 2.585 -3.776 1.00 0.00 H new ATOM 110 N LYS A 6 7.682 6.901 -1.315 1.00 0.00 N ATOM 111 CA LYS A 6 8.581 7.990 -0.961 1.00 0.00 C ATOM 112 C LYS A 6 9.714 7.460 -0.090 1.00 0.00 C ATOM 113 O LYS A 6 9.474 6.904 0.981 1.00 0.00 O ATOM 114 CB LYS A 6 7.827 9.101 -0.226 1.00 0.00 C ATOM 115 CG LYS A 6 8.710 10.276 0.167 1.00 0.00 C ATOM 116 CD LYS A 6 7.921 11.360 0.884 1.00 0.00 C ATOM 117 CE LYS A 6 6.853 11.967 -0.014 1.00 0.00 C ATOM 118 NZ LYS A 6 7.440 12.588 -1.233 1.00 0.00 N ATOM 0 H LYS A 6 6.944 6.722 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 6 8.997 8.409 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.018 9.461 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.368 8.686 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.515 9.926 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.176 10.695 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.452 10.940 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.601 12.143 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.142 11.194 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.294 12.719 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.727 13.189 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.261 13.168 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.742 11.842 -1.891 1.00 0.00 H new ATOM 132 N THR A 7 10.947 7.623 -0.556 1.00 0.00 N ATOM 133 CA THR A 7 12.106 7.144 0.187 1.00 0.00 C ATOM 134 C THR A 7 12.374 8.006 1.416 1.00 0.00 C ATOM 135 O THR A 7 11.476 8.683 1.918 1.00 0.00 O ATOM 136 CB THR A 7 13.368 7.115 -0.696 1.00 0.00 C ATOM 137 OG1 THR A 7 13.653 8.430 -1.187 1.00 0.00 O ATOM 138 CG2 THR A 7 13.186 6.160 -1.867 1.00 0.00 C ATOM 0 H THR A 7 11.169 8.081 -1.440 1.00 0.00 H new ATOM 0 HA THR A 7 11.874 6.129 0.508 1.00 0.00 H new ATOM 0 HB THR A 7 14.203 6.766 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.220 8.555 -2.057 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.089 6.156 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.997 5.155 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.340 6.485 -2.473 1.00 0.00 H new ATOM 146 N LEU A 8 13.614 7.975 1.900 1.00 0.00 N ATOM 147 CA LEU A 8 13.993 8.754 3.073 1.00 0.00 C ATOM 148 C LEU A 8 14.269 10.206 2.700 1.00 0.00 C ATOM 149 O LEU A 8 13.733 11.129 3.313 1.00 0.00 O ATOM 150 CB LEU A 8 15.228 8.150 3.746 1.00 0.00 C ATOM 151 CG LEU A 8 15.128 6.663 4.103 1.00 0.00 C ATOM 152 CD1 LEU A 8 16.326 6.238 4.932 1.00 0.00 C ATOM 153 CD2 LEU A 8 13.845 6.366 4.854 1.00 0.00 C ATOM 0 H LEU A 8 14.370 7.420 1.498 1.00 0.00 H new ATOM 0 HA LEU A 8 13.157 8.727 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.084 8.290 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.434 8.711 4.658 1.00 0.00 H new ATOM 0 HG LEU A 8 15.118 6.095 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.241 5.180 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.240 6.406 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.358 6.823 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.801 5.304 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.820 6.948 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.990 6.633 4.233 1.00 0.00 H new ATOM 165 N THR A 9 15.118 10.401 1.694 1.00 0.00 N ATOM 166 CA THR A 9 15.476 11.741 1.244 1.00 0.00 C ATOM 167 C THR A 9 14.299 12.440 0.569 1.00 0.00 C ATOM 168 O THR A 9 14.028 13.611 0.837 1.00 0.00 O ATOM 169 CB THR A 9 16.671 11.708 0.272 1.00 0.00 C ATOM 170 OG1 THR A 9 16.954 13.029 -0.203 1.00 0.00 O ATOM 171 CG2 THR A 9 16.390 10.788 -0.908 1.00 0.00 C ATOM 0 H THR A 9 15.570 9.648 1.176 1.00 0.00 H new ATOM 0 HA THR A 9 15.757 12.303 2.135 1.00 0.00 H new ATOM 0 HB THR A 9 17.536 11.323 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.716 12.999 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.249 10.783 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.207 9.777 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.512 11.145 -1.446 1.00 0.00 H new ATOM 179 N GLY A 10 13.604 11.721 -0.307 1.00 0.00 N ATOM 180 CA GLY A 10 12.469 12.302 -1.000 1.00 0.00 C ATOM 181 C GLY A 10 12.199 11.643 -2.339 1.00 0.00 C ATOM 182 O GLY A 10 11.048 11.531 -2.761 1.00 0.00 O ATOM 0 H GLY A 10 13.805 10.751 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.582 12.215 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.648 13.366 -1.153 1.00 0.00 H new ATOM 186 N LYS A 11 13.266 11.218 -3.011 1.00 0.00 N ATOM 187 CA LYS A 11 13.148 10.579 -4.320 1.00 0.00 C ATOM 188 C LYS A 11 12.101 9.471 -4.311 1.00 0.00 C ATOM 189 O LYS A 11 12.114 8.594 -3.448 1.00 0.00 O ATOM 190 CB LYS A 11 14.494 9.997 -4.753 1.00 0.00 C ATOM 191 CG LYS A 11 14.447 9.319 -6.114 1.00 0.00 C ATOM 192 CD LYS A 11 15.736 8.572 -6.415 1.00 0.00 C ATOM 193 CE LYS A 11 15.715 7.968 -7.810 1.00 0.00 C ATOM 194 NZ LYS A 11 16.980 7.246 -8.121 1.00 0.00 N ATOM 0 H LYS A 11 14.224 11.305 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 11 12.834 11.346 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.236 10.795 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.827 9.276 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.608 8.624 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.271 10.067 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.582 9.253 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.882 7.783 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.874 7.280 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.557 8.757 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.926 6.849 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.780 7.908 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.118 6.477 -7.435 1.00 0.00 H new ATOM 208 N THR A 12 11.207 9.513 -5.291 1.00 0.00 N ATOM 209 CA THR A 12 10.162 8.509 -5.421 1.00 0.00 C ATOM 210 C THR A 12 10.715 7.251 -6.077 1.00 0.00 C ATOM 211 O THR A 12 11.602 7.326 -6.928 1.00 0.00 O ATOM 212 CB THR A 12 8.987 9.025 -6.265 1.00 0.00 C ATOM 213 OG1 THR A 12 8.526 10.281 -5.752 1.00 0.00 O ATOM 214 CG2 THR A 12 7.840 8.027 -6.270 1.00 0.00 C ATOM 0 H THR A 12 11.186 10.236 -6.010 1.00 0.00 H new ATOM 0 HA THR A 12 9.805 8.284 -4.416 1.00 0.00 H new ATOM 0 HB THR A 12 9.339 9.156 -7.288 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.778 10.603 -6.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.021 8.417 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.183 7.081 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.493 7.867 -5.249 1.00 0.00 H new ATOM 222 N ILE A 13 10.192 6.098 -5.686 1.00 0.00 N ATOM 223 CA ILE A 13 10.647 4.837 -6.250 1.00 0.00 C ATOM 224 C ILE A 13 9.491 4.018 -6.808 1.00 0.00 C ATOM 225 O ILE A 13 8.480 3.801 -6.139 1.00 0.00 O ATOM 226 CB ILE A 13 11.414 4.005 -5.211 1.00 0.00 C ATOM 227 CG1 ILE A 13 10.634 3.941 -3.897 1.00 0.00 C ATOM 228 CG2 ILE A 13 12.794 4.602 -4.992 1.00 0.00 C ATOM 229 CD1 ILE A 13 11.288 3.073 -2.846 1.00 0.00 C ATOM 0 H ILE A 13 9.457 6.010 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 13 11.320 5.087 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 13 11.529 2.987 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.520 4.951 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.632 3.562 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.334 4.009 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.345 4.600 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.694 5.626 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.679 3.075 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.378 2.053 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.279 3.464 -2.617 1.00 0.00 H new ATOM 241 N THR A 14 9.657 3.571 -8.047 1.00 0.00 N ATOM 242 CA THR A 14 8.646 2.773 -8.727 1.00 0.00 C ATOM 243 C THR A 14 9.079 1.320 -8.856 1.00 0.00 C ATOM 244 O THR A 14 10.250 1.030 -9.097 1.00 0.00 O ATOM 245 CB THR A 14 8.344 3.320 -10.134 1.00 0.00 C ATOM 246 OG1 THR A 14 9.559 3.722 -10.777 1.00 0.00 O ATOM 247 CG2 THR A 14 7.377 4.491 -10.073 1.00 0.00 C ATOM 0 H THR A 14 10.491 3.751 -8.605 1.00 0.00 H new ATOM 0 HA THR A 14 7.746 2.832 -8.115 1.00 0.00 H new ATOM 0 HB THR A 14 7.876 2.523 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.357 4.067 -11.672 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.183 4.856 -11.082 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.441 4.167 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.812 5.292 -9.475 1.00 0.00 H new ATOM 255 N LEU A 15 8.122 0.411 -8.713 1.00 0.00 N ATOM 256 CA LEU A 15 8.403 -1.011 -8.833 1.00 0.00 C ATOM 257 C LEU A 15 7.102 -1.800 -8.986 1.00 0.00 C ATOM 258 O LEU A 15 6.204 -1.719 -8.149 1.00 0.00 O ATOM 259 CB LEU A 15 9.216 -1.502 -7.623 1.00 0.00 C ATOM 260 CG LEU A 15 8.442 -1.677 -6.313 1.00 0.00 C ATOM 261 CD1 LEU A 15 7.798 -3.052 -6.262 1.00 0.00 C ATOM 262 CD2 LEU A 15 9.362 -1.497 -5.118 1.00 0.00 C ATOM 0 H LEU A 15 7.147 0.634 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 15 9.003 -1.177 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.672 -2.458 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.030 -0.798 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 15 7.663 -0.915 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.251 -3.163 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.109 -3.163 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.571 -3.818 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.792 -1.625 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.159 -2.239 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.796 -0.497 -5.140 1.00 0.00 H new ATOM 274 N GLU A 16 7.005 -2.545 -10.080 1.00 0.00 N ATOM 275 CA GLU A 16 5.821 -3.342 -10.371 1.00 0.00 C ATOM 276 C GLU A 16 5.770 -4.601 -9.508 1.00 0.00 C ATOM 277 O GLU A 16 6.793 -5.244 -9.269 1.00 0.00 O ATOM 278 CB GLU A 16 5.805 -3.723 -11.852 1.00 0.00 C ATOM 279 CG GLU A 16 7.046 -4.483 -12.291 1.00 0.00 C ATOM 280 CD GLU A 16 7.053 -4.784 -13.775 1.00 0.00 C ATOM 281 OE1 GLU A 16 7.032 -3.825 -14.575 1.00 0.00 O ATOM 282 OE2 GLU A 16 7.084 -5.978 -14.139 1.00 0.00 O ATOM 0 H GLU A 16 7.739 -2.614 -10.785 1.00 0.00 H new ATOM 0 HA GLU A 16 4.942 -2.741 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.924 -4.332 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.711 -2.818 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.932 -3.900 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.110 -5.418 -11.735 1.00 0.00 H new ATOM 289 N VAL A 17 4.568 -4.951 -9.056 1.00 0.00 N ATOM 290 CA VAL A 17 4.366 -6.139 -8.229 1.00 0.00 C ATOM 291 C VAL A 17 2.954 -6.684 -8.386 1.00 0.00 C ATOM 292 O VAL A 17 1.979 -5.935 -8.342 1.00 0.00 O ATOM 293 CB VAL A 17 4.622 -5.855 -6.736 1.00 0.00 C ATOM 294 CG1 VAL A 17 6.106 -5.797 -6.444 1.00 0.00 C ATOM 295 CG2 VAL A 17 3.955 -4.559 -6.318 1.00 0.00 C ATOM 0 H VAL A 17 3.715 -4.426 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 17 5.088 -6.878 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 17 4.190 -6.673 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.261 -5.595 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.565 -6.751 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.562 -5.003 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.147 -4.375 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.358 -3.736 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.880 -4.633 -6.484 1.00 0.00 H new ATOM 305 N GLU A 18 2.855 -7.994 -8.568 1.00 0.00 N ATOM 306 CA GLU A 18 1.566 -8.650 -8.735 1.00 0.00 C ATOM 307 C GLU A 18 0.674 -8.427 -7.515 1.00 0.00 C ATOM 308 O GLU A 18 1.139 -8.489 -6.378 1.00 0.00 O ATOM 309 CB GLU A 18 1.768 -10.147 -8.968 1.00 0.00 C ATOM 310 CG GLU A 18 2.674 -10.458 -10.147 1.00 0.00 C ATOM 311 CD GLU A 18 2.874 -11.946 -10.359 1.00 0.00 C ATOM 312 OE1 GLU A 18 2.303 -12.739 -9.580 1.00 0.00 O ATOM 313 OE2 GLU A 18 3.603 -12.319 -11.302 1.00 0.00 O ATOM 0 H GLU A 18 3.656 -8.625 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 18 1.072 -8.213 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.190 -10.593 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.798 -10.616 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.249 -10.021 -11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.643 -9.985 -9.989 1.00 0.00 H new ATOM 320 N PRO A 19 -0.628 -8.169 -7.737 1.00 0.00 N ATOM 321 CA PRO A 19 -1.589 -7.943 -6.653 1.00 0.00 C ATOM 322 C PRO A 19 -1.606 -9.095 -5.659 1.00 0.00 C ATOM 323 O PRO A 19 -1.717 -8.891 -4.450 1.00 0.00 O ATOM 324 CB PRO A 19 -2.943 -7.855 -7.370 1.00 0.00 C ATOM 325 CG PRO A 19 -2.703 -8.389 -8.742 1.00 0.00 C ATOM 326 CD PRO A 19 -1.269 -8.084 -9.056 1.00 0.00 C ATOM 0 HA PRO A 19 -1.341 -7.052 -6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.702 -8.439 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.302 -6.826 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.892 -9.462 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.370 -7.920 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.846 -8.802 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.153 -7.096 -9.501 1.00 0.00 H new ATOM 334 N SER A 20 -1.497 -10.305 -6.188 1.00 0.00 N ATOM 335 CA SER A 20 -1.503 -11.507 -5.371 1.00 0.00 C ATOM 336 C SER A 20 -0.294 -11.547 -4.444 1.00 0.00 C ATOM 337 O SER A 20 -0.361 -12.103 -3.347 1.00 0.00 O ATOM 338 CB SER A 20 -1.523 -12.741 -6.270 1.00 0.00 C ATOM 339 OG SER A 20 -1.542 -13.934 -5.506 1.00 0.00 O ATOM 0 H SER A 20 -1.403 -10.480 -7.189 1.00 0.00 H new ATOM 0 HA SER A 20 -2.399 -11.499 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.399 -12.707 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.647 -12.736 -6.918 1.00 0.00 H new ATOM 0 HG SER A 20 -1.556 -14.708 -6.108 1.00 0.00 H new ATOM 345 N ASP A 21 0.813 -10.954 -4.888 1.00 0.00 N ATOM 346 CA ASP A 21 2.034 -10.925 -4.090 1.00 0.00 C ATOM 347 C ASP A 21 1.760 -10.335 -2.710 1.00 0.00 C ATOM 348 O ASP A 21 1.058 -9.332 -2.581 1.00 0.00 O ATOM 349 CB ASP A 21 3.121 -10.115 -4.799 1.00 0.00 C ATOM 350 CG ASP A 21 4.427 -10.103 -4.030 1.00 0.00 C ATOM 351 OD1 ASP A 21 4.989 -11.194 -3.798 1.00 0.00 O ATOM 352 OD2 ASP A 21 4.888 -9.003 -3.660 1.00 0.00 O ATOM 0 H ASP A 21 0.888 -10.489 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 21 2.384 -11.950 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.291 -10.531 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.775 -9.091 -4.938 1.00 0.00 H new ATOM 357 N THR A 22 2.314 -10.970 -1.683 1.00 0.00 N ATOM 358 CA THR A 22 2.127 -10.519 -0.310 1.00 0.00 C ATOM 359 C THR A 22 2.755 -9.150 -0.080 1.00 0.00 C ATOM 360 O THR A 22 3.802 -8.832 -0.644 1.00 0.00 O ATOM 361 CB THR A 22 2.722 -11.522 0.692 1.00 0.00 C ATOM 362 OG1 THR A 22 4.127 -11.669 0.461 1.00 0.00 O ATOM 363 CG2 THR A 22 2.040 -12.875 0.570 1.00 0.00 C ATOM 0 H THR A 22 2.898 -11.801 -1.777 1.00 0.00 H new ATOM 0 HA THR A 22 1.052 -10.446 -0.148 1.00 0.00 H new ATOM 0 HB THR A 22 2.558 -11.138 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.376 -12.613 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.477 -13.569 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.975 -12.765 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.179 -13.263 -0.439 1.00 0.00 H new ATOM 371 N ILE A 23 2.103 -8.346 0.754 1.00 0.00 N ATOM 372 CA ILE A 23 2.588 -7.006 1.067 1.00 0.00 C ATOM 373 C ILE A 23 4.016 -7.046 1.605 1.00 0.00 C ATOM 374 O ILE A 23 4.830 -6.178 1.290 1.00 0.00 O ATOM 375 CB ILE A 23 1.683 -6.308 2.104 1.00 0.00 C ATOM 376 CG1 ILE A 23 0.243 -6.233 1.588 1.00 0.00 C ATOM 377 CG2 ILE A 23 2.214 -4.916 2.420 1.00 0.00 C ATOM 378 CD1 ILE A 23 -0.726 -5.620 2.577 1.00 0.00 C ATOM 0 H ILE A 23 1.235 -8.600 1.226 1.00 0.00 H new ATOM 0 HA ILE A 23 2.569 -6.440 0.136 1.00 0.00 H new ATOM 0 HB ILE A 23 1.689 -6.894 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.226 -5.650 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.096 -7.238 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.565 -4.437 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.223 -4.995 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.235 -4.319 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.725 -5.600 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.739 -6.215 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.412 -4.603 2.811 1.00 0.00 H new ATOM 390 N GLU A 24 4.312 -8.054 2.420 1.00 0.00 N ATOM 391 CA GLU A 24 5.641 -8.201 3.006 1.00 0.00 C ATOM 392 C GLU A 24 6.717 -8.251 1.921 1.00 0.00 C ATOM 393 O GLU A 24 7.751 -7.592 2.034 1.00 0.00 O ATOM 394 CB GLU A 24 5.705 -9.459 3.876 1.00 0.00 C ATOM 395 CG GLU A 24 5.410 -10.745 3.120 1.00 0.00 C ATOM 396 CD GLU A 24 5.454 -11.971 4.011 1.00 0.00 C ATOM 397 OE1 GLU A 24 5.656 -11.813 5.233 1.00 0.00 O ATOM 398 OE2 GLU A 24 5.283 -13.091 3.486 1.00 0.00 O ATOM 0 H GLU A 24 3.650 -8.781 2.690 1.00 0.00 H new ATOM 0 HA GLU A 24 5.831 -7.330 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.697 -9.530 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.993 -9.359 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.426 -10.672 2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.133 -10.861 2.313 1.00 0.00 H new ATOM 405 N ASN A 25 6.467 -9.026 0.869 1.00 0.00 N ATOM 406 CA ASN A 25 7.416 -9.146 -0.233 1.00 0.00 C ATOM 407 C ASN A 25 7.564 -7.817 -0.965 1.00 0.00 C ATOM 408 O ASN A 25 8.677 -7.373 -1.246 1.00 0.00 O ATOM 409 CB ASN A 25 6.968 -10.236 -1.209 1.00 0.00 C ATOM 410 CG ASN A 25 7.120 -11.629 -0.629 1.00 0.00 C ATOM 411 OD1 ASN A 25 6.611 -11.924 0.451 1.00 0.00 O ATOM 412 ND2 ASN A 25 7.823 -12.496 -1.348 1.00 0.00 N ATOM 0 H ASN A 25 5.617 -9.579 0.757 1.00 0.00 H new ATOM 0 HA ASN A 25 8.385 -9.423 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.926 -10.070 -1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.552 -10.161 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.958 -13.449 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.228 -12.209 -2.239 1.00 0.00 H new ATOM 419 N VAL A 26 6.433 -7.184 -1.261 1.00 0.00 N ATOM 420 CA VAL A 26 6.430 -5.898 -1.952 1.00 0.00 C ATOM 421 C VAL A 26 7.313 -4.882 -1.230 1.00 0.00 C ATOM 422 O VAL A 26 8.140 -4.214 -1.851 1.00 0.00 O ATOM 423 CB VAL A 26 4.995 -5.339 -2.073 1.00 0.00 C ATOM 424 CG1 VAL A 26 5.005 -3.837 -2.306 1.00 0.00 C ATOM 425 CG2 VAL A 26 4.232 -6.054 -3.177 1.00 0.00 C ATOM 0 H VAL A 26 5.505 -7.541 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 26 6.832 -6.066 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 26 4.483 -5.523 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.980 -3.474 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.500 -3.342 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.542 -3.615 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.224 -5.646 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.747 -5.911 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.177 -7.119 -2.951 1.00 0.00 H new ATOM 435 N LYS A 27 7.131 -4.770 0.080 1.00 0.00 N ATOM 436 CA LYS A 27 7.910 -3.837 0.885 1.00 0.00 C ATOM 437 C LYS A 27 9.371 -4.274 0.969 1.00 0.00 C ATOM 438 O LYS A 27 10.277 -3.441 0.999 1.00 0.00 O ATOM 439 CB LYS A 27 7.311 -3.716 2.289 1.00 0.00 C ATOM 440 CG LYS A 27 5.857 -3.266 2.291 1.00 0.00 C ATOM 441 CD LYS A 27 5.331 -3.040 3.702 1.00 0.00 C ATOM 442 CE LYS A 27 5.420 -4.300 4.546 1.00 0.00 C ATOM 443 NZ LYS A 27 4.808 -4.114 5.890 1.00 0.00 N ATOM 0 H LYS A 27 6.450 -5.315 0.608 1.00 0.00 H new ATOM 0 HA LYS A 27 7.874 -2.861 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.385 -4.680 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.903 -3.008 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.762 -2.344 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.245 -4.017 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.901 -2.242 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.294 -2.707 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.919 -5.119 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.465 -4.587 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.092 -4.897 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.131 -3.213 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.772 -4.101 5.801 1.00 0.00 H new ATOM 457 N ALA A 28 9.589 -5.585 1.013 1.00 0.00 N ATOM 458 CA ALA A 28 10.936 -6.140 1.097 1.00 0.00 C ATOM 459 C ALA A 28 11.820 -5.636 -0.042 1.00 0.00 C ATOM 460 O ALA A 28 12.994 -5.325 0.164 1.00 0.00 O ATOM 461 CB ALA A 28 10.880 -7.659 1.097 1.00 0.00 C ATOM 0 H ALA A 28 8.847 -6.285 0.992 1.00 0.00 H new ATOM 0 HA ALA A 28 11.380 -5.803 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.891 -8.060 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.300 -8.002 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.409 -8.006 0.177 1.00 0.00 H new ATOM 467 N LYS A 29 11.249 -5.549 -1.240 1.00 0.00 N ATOM 468 CA LYS A 29 11.982 -5.073 -2.407 1.00 0.00 C ATOM 469 C LYS A 29 12.424 -3.642 -2.180 1.00 0.00 C ATOM 470 O LYS A 29 13.557 -3.268 -2.477 1.00 0.00 O ATOM 471 CB LYS A 29 11.094 -5.130 -3.651 1.00 0.00 C ATOM 472 CG LYS A 29 10.316 -6.427 -3.792 1.00 0.00 C ATOM 473 CD LYS A 29 11.216 -7.591 -4.171 1.00 0.00 C ATOM 474 CE LYS A 29 11.876 -7.371 -5.524 1.00 0.00 C ATOM 475 NZ LYS A 29 12.787 -8.491 -5.885 1.00 0.00 N ATOM 0 H LYS A 29 10.279 -5.803 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 29 12.852 -5.712 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.391 -4.297 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.715 -4.992 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.810 -6.650 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.542 -6.305 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.983 -7.722 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.631 -8.511 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.108 -7.266 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.438 -6.437 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.217 -8.303 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.535 -8.575 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.246 -9.378 -5.927 1.00 0.00 H new ATOM 489 N ILE A 30 11.505 -2.848 -1.647 1.00 0.00 N ATOM 490 CA ILE A 30 11.764 -1.451 -1.363 1.00 0.00 C ATOM 491 C ILE A 30 12.964 -1.302 -0.431 1.00 0.00 C ATOM 492 O ILE A 30 13.757 -0.372 -0.578 1.00 0.00 O ATOM 493 CB ILE A 30 10.524 -0.779 -0.749 1.00 0.00 C ATOM 494 CG1 ILE A 30 9.342 -0.885 -1.719 1.00 0.00 C ATOM 495 CG2 ILE A 30 10.817 0.677 -0.415 1.00 0.00 C ATOM 496 CD1 ILE A 30 8.066 -0.255 -1.203 1.00 0.00 C ATOM 0 H ILE A 30 10.564 -3.157 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 30 11.994 -0.953 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 30 10.265 -1.292 0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.615 -0.410 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.155 -1.937 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.929 1.137 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.638 0.728 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.095 1.210 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.277 -0.371 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.767 -0.745 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.234 0.805 -1.015 1.00 0.00 H new ATOM 508 N GLN A 31 13.111 -2.238 0.509 1.00 0.00 N ATOM 509 CA GLN A 31 14.239 -2.213 1.429 1.00 0.00 C ATOM 510 C GLN A 31 15.525 -2.275 0.627 1.00 0.00 C ATOM 511 O GLN A 31 16.470 -1.530 0.878 1.00 0.00 O ATOM 512 CB GLN A 31 14.177 -3.390 2.403 1.00 0.00 C ATOM 513 CG GLN A 31 12.918 -3.421 3.251 1.00 0.00 C ATOM 514 CD GLN A 31 12.919 -4.567 4.243 1.00 0.00 C ATOM 515 OE1 GLN A 31 11.964 -5.477 4.097 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 13.773 -4.637 5.127 1.00 0.00 N flip ATOM 0 H GLN A 31 12.466 -3.015 0.649 1.00 0.00 H new ATOM 0 HA GLN A 31 14.203 -1.292 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.246 -4.320 1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.045 -3.351 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.822 -2.478 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.047 -3.507 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.489 -3.915 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.764 -5.417 5.784 1.00 0.00 H new ATOM 525 N ASP A 32 15.533 -3.159 -0.365 1.00 0.00 N ATOM 526 CA ASP A 32 16.680 -3.307 -1.242 1.00 0.00 C ATOM 527 C ASP A 32 16.829 -2.045 -2.077 1.00 0.00 C ATOM 528 O ASP A 32 17.937 -1.579 -2.345 1.00 0.00 O ATOM 529 CB ASP A 32 16.510 -4.527 -2.150 1.00 0.00 C ATOM 530 CG ASP A 32 17.703 -4.742 -3.060 1.00 0.00 C ATOM 531 OD1 ASP A 32 18.811 -4.986 -2.539 1.00 0.00 O ATOM 532 OD2 ASP A 32 17.530 -4.664 -4.293 1.00 0.00 O ATOM 0 H ASP A 32 14.755 -3.783 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 32 17.577 -3.457 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.360 -5.415 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.612 -4.403 -2.756 1.00 0.00 H new ATOM 537 N LYS A 33 15.684 -1.496 -2.470 1.00 0.00 N ATOM 538 CA LYS A 33 15.629 -0.279 -3.263 1.00 0.00 C ATOM 539 C LYS A 33 15.897 0.946 -2.395 1.00 0.00 C ATOM 540 O LYS A 33 15.833 2.082 -2.866 1.00 0.00 O ATOM 541 CB LYS A 33 14.264 -0.166 -3.946 1.00 0.00 C ATOM 542 CG LYS A 33 14.050 -1.200 -5.040 1.00 0.00 C ATOM 543 CD LYS A 33 12.696 -1.034 -5.714 1.00 0.00 C ATOM 544 CE LYS A 33 12.581 0.308 -6.421 1.00 0.00 C ATOM 545 NZ LYS A 33 13.615 0.470 -7.480 1.00 0.00 N ATOM 0 H LYS A 33 14.768 -1.885 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 33 16.405 -0.325 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.480 -0.274 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.161 0.831 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.841 -1.111 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.124 -2.201 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.547 -1.839 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.905 -1.122 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.590 0.400 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.680 1.112 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.373 1.285 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.543 0.628 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.652 -0.390 -8.064 1.00 0.00 H new ATOM 559 N GLU A 34 16.197 0.700 -1.125 1.00 0.00 N ATOM 560 CA GLU A 34 16.479 1.768 -0.176 1.00 0.00 C ATOM 561 C GLU A 34 17.046 1.186 1.118 1.00 0.00 C ATOM 562 O GLU A 34 18.218 0.810 1.175 1.00 0.00 O ATOM 563 CB GLU A 34 15.210 2.579 0.109 1.00 0.00 C ATOM 564 CG GLU A 34 15.440 3.777 1.017 1.00 0.00 C ATOM 565 CD GLU A 34 16.424 4.771 0.432 1.00 0.00 C ATOM 566 OE1 GLU A 34 16.152 5.301 -0.665 1.00 0.00 O ATOM 567 OE2 GLU A 34 17.467 5.022 1.073 1.00 0.00 O ATOM 0 H GLU A 34 16.251 -0.238 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 34 17.222 2.436 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.791 2.926 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.467 1.925 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.489 4.277 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.809 3.431 1.982 1.00 0.00 H new ATOM 574 N GLY A 35 16.213 1.105 2.153 1.00 0.00 N ATOM 575 CA GLY A 35 16.659 0.557 3.419 1.00 0.00 C ATOM 576 C GLY A 35 15.724 0.903 4.560 1.00 0.00 C ATOM 577 O GLY A 35 16.161 1.380 5.607 1.00 0.00 O ATOM 0 H GLY A 35 15.239 1.409 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.739 -0.527 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.657 0.934 3.644 1.00 0.00 H new ATOM 581 N ILE A 36 14.432 0.669 4.353 1.00 0.00 N ATOM 582 CA ILE A 36 13.431 0.966 5.367 1.00 0.00 C ATOM 583 C ILE A 36 12.636 -0.279 5.747 1.00 0.00 C ATOM 584 O ILE A 36 12.080 -0.957 4.882 1.00 0.00 O ATOM 585 CB ILE A 36 12.442 2.053 4.896 1.00 0.00 C ATOM 586 CG1 ILE A 36 12.739 2.486 3.456 1.00 0.00 C ATOM 587 CG2 ILE A 36 12.484 3.246 5.833 1.00 0.00 C ATOM 588 CD1 ILE A 36 12.418 1.429 2.420 1.00 0.00 C ATOM 0 H ILE A 36 14.055 0.274 3.491 1.00 0.00 H new ATOM 0 HA ILE A 36 13.979 1.331 6.236 1.00 0.00 H new ATOM 0 HB ILE A 36 11.438 1.629 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.167 3.386 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.793 2.751 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.781 4.004 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.210 2.928 6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.491 3.663 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.655 1.810 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.010 0.535 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.358 1.181 2.470 1.00 0.00 H new ATOM 600 N PRO A 37 12.562 -0.590 7.054 1.00 0.00 N ATOM 601 CA PRO A 37 11.820 -1.752 7.551 1.00 0.00 C ATOM 602 C PRO A 37 10.410 -1.829 6.969 1.00 0.00 C ATOM 603 O PRO A 37 9.764 -0.804 6.750 1.00 0.00 O ATOM 604 CB PRO A 37 11.763 -1.511 9.059 1.00 0.00 C ATOM 605 CG PRO A 37 12.980 -0.706 9.353 1.00 0.00 C ATOM 606 CD PRO A 37 13.193 0.172 8.150 1.00 0.00 C ATOM 0 HA PRO A 37 12.295 -2.693 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.856 -0.977 9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.765 -2.451 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.845 -0.108 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.843 -1.350 9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.729 1.150 8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.253 0.345 7.961 1.00 0.00 H new ATOM 614 N PRO A 38 9.915 -3.051 6.708 1.00 0.00 N ATOM 615 CA PRO A 38 8.576 -3.257 6.144 1.00 0.00 C ATOM 616 C PRO A 38 7.482 -2.617 6.994 1.00 0.00 C ATOM 617 O PRO A 38 6.507 -2.081 6.467 1.00 0.00 O ATOM 618 CB PRO A 38 8.415 -4.781 6.133 1.00 0.00 C ATOM 619 CG PRO A 38 9.803 -5.319 6.165 1.00 0.00 C ATOM 620 CD PRO A 38 10.620 -4.325 6.939 1.00 0.00 C ATOM 0 HA PRO A 38 8.481 -2.799 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.840 -5.123 6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.884 -5.115 5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.830 -6.299 6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.195 -5.444 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.660 -4.576 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.649 -4.285 6.582 1.00 0.00 H new ATOM 628 N ASP A 39 7.649 -2.684 8.310 1.00 0.00 N ATOM 629 CA ASP A 39 6.677 -2.120 9.237 1.00 0.00 C ATOM 630 C ASP A 39 6.561 -0.611 9.067 1.00 0.00 C ATOM 631 O ASP A 39 5.469 -0.050 9.156 1.00 0.00 O ATOM 632 CB ASP A 39 7.067 -2.452 10.679 1.00 0.00 C ATOM 633 CG ASP A 39 7.130 -3.945 10.932 1.00 0.00 C ATOM 634 OD1 ASP A 39 6.094 -4.621 10.759 1.00 0.00 O ATOM 635 OD2 ASP A 39 8.216 -4.439 11.303 1.00 0.00 O ATOM 0 H ASP A 39 8.451 -3.125 8.759 1.00 0.00 H new ATOM 0 HA ASP A 39 5.707 -2.564 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.037 -2.007 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.346 -2.001 11.360 1.00 0.00 H new ATOM 640 N GLN A 40 7.694 0.047 8.834 1.00 0.00 N ATOM 641 CA GLN A 40 7.710 1.491 8.665 1.00 0.00 C ATOM 642 C GLN A 40 6.917 1.922 7.435 1.00 0.00 C ATOM 643 O GLN A 40 6.217 2.933 7.461 1.00 0.00 O ATOM 644 CB GLN A 40 9.147 2.002 8.573 1.00 0.00 C ATOM 645 CG GLN A 40 9.959 1.754 9.836 1.00 0.00 C ATOM 646 CD GLN A 40 11.366 2.316 9.761 1.00 0.00 C ATOM 647 OE1 GLN A 40 11.701 2.948 8.640 1.00 0.00 O flip ATOM 648 NE2 GLN A 40 12.147 2.185 10.703 1.00 0.00 N flip ATOM 0 H GLN A 40 8.609 -0.398 8.759 1.00 0.00 H new ATOM 0 HA GLN A 40 7.232 1.930 9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.643 1.520 7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.132 3.072 8.364 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.442 2.199 10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.012 0.681 10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.851 1.693 11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.090 2.568 10.641 1.00 0.00 H new ATOM 657 N GLN A 41 7.032 1.156 6.356 1.00 0.00 N ATOM 658 CA GLN A 41 6.321 1.476 5.123 1.00 0.00 C ATOM 659 C GLN A 41 4.814 1.500 5.353 1.00 0.00 C ATOM 660 O GLN A 41 4.194 0.465 5.595 1.00 0.00 O ATOM 661 CB GLN A 41 6.681 0.461 4.040 1.00 0.00 C ATOM 662 CG GLN A 41 8.157 0.477 3.675 1.00 0.00 C ATOM 663 CD GLN A 41 8.542 -0.648 2.740 1.00 0.00 C ATOM 664 OE1 GLN A 41 7.972 -0.796 1.660 1.00 0.00 O ATOM 665 NE2 GLN A 41 9.520 -1.446 3.150 1.00 0.00 N ATOM 0 H GLN A 41 7.607 0.315 6.309 1.00 0.00 H new ATOM 0 HA GLN A 41 6.625 2.470 4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.408 -0.538 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.090 0.666 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.401 1.431 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.752 0.407 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.964 -1.285 4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.827 -2.220 2.561 1.00 0.00 H new ATOM 674 N ARG A 42 4.235 2.696 5.282 1.00 0.00 N ATOM 675 CA ARG A 42 2.804 2.870 5.487 1.00 0.00 C ATOM 676 C ARG A 42 2.020 2.551 4.220 1.00 0.00 C ATOM 677 O ARG A 42 2.343 3.045 3.140 1.00 0.00 O ATOM 678 CB ARG A 42 2.508 4.302 5.936 1.00 0.00 C ATOM 679 CG ARG A 42 1.035 4.568 6.203 1.00 0.00 C ATOM 680 CD ARG A 42 0.798 6.005 6.643 1.00 0.00 C ATOM 681 NE ARG A 42 1.225 6.966 5.629 1.00 0.00 N ATOM 682 CZ ARG A 42 1.126 8.284 5.773 1.00 0.00 C ATOM 683 NH1 ARG A 42 0.616 8.796 6.886 1.00 0.00 N ATOM 684 NH2 ARG A 42 1.536 9.092 4.806 1.00 0.00 N ATOM 0 H ARG A 42 4.739 3.560 5.083 1.00 0.00 H new ATOM 0 HA ARG A 42 2.489 2.174 6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.076 4.514 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.860 4.993 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.458 4.363 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.675 3.886 6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.261 6.149 6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.338 6.194 7.571 1.00 0.00 H new ATOM 0 HE ARG A 42 1.622 6.605 4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.299 8.178 7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.541 9.807 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.929 8.703 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.459 10.103 4.919 1.00 0.00 H new ATOM 698 N LEU A 43 0.983 1.730 4.357 1.00 0.00 N ATOM 699 CA LEU A 43 0.153 1.360 3.217 1.00 0.00 C ATOM 700 C LEU A 43 -0.850 2.459 2.900 1.00 0.00 C ATOM 701 O LEU A 43 -1.489 3.010 3.795 1.00 0.00 O ATOM 702 CB LEU A 43 -0.586 0.047 3.480 1.00 0.00 C ATOM 703 CG LEU A 43 0.302 -1.138 3.857 1.00 0.00 C ATOM 704 CD1 LEU A 43 -0.508 -2.425 3.879 1.00 0.00 C ATOM 705 CD2 LEU A 43 1.469 -1.260 2.888 1.00 0.00 C ATOM 0 H LEU A 43 0.699 1.310 5.242 1.00 0.00 H new ATOM 0 HA LEU A 43 0.812 1.225 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.307 0.209 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.155 -0.216 2.588 1.00 0.00 H new ATOM 0 HG LEU A 43 0.701 -0.964 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.140 -3.258 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.311 -2.337 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.935 -2.603 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.091 -2.109 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.089 -1.411 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.065 -0.348 2.919 1.00 0.00 H new ATOM 717 N ILE A 44 -0.988 2.766 1.616 1.00 0.00 N ATOM 718 CA ILE A 44 -1.918 3.793 1.170 1.00 0.00 C ATOM 719 C ILE A 44 -2.558 3.390 -0.152 1.00 0.00 C ATOM 720 O ILE A 44 -1.876 2.926 -1.063 1.00 0.00 O ATOM 721 CB ILE A 44 -1.220 5.156 1.016 1.00 0.00 C ATOM 722 CG1 ILE A 44 -0.620 5.591 2.354 1.00 0.00 C ATOM 723 CG2 ILE A 44 -2.200 6.201 0.500 1.00 0.00 C ATOM 724 CD1 ILE A 44 0.203 6.854 2.270 1.00 0.00 C ATOM 0 H ILE A 44 -0.466 2.316 0.864 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.692 3.890 1.932 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.414 5.059 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.426 5.741 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.005 4.786 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.690 7.159 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.587 5.890 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.026 6.304 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.595 7.099 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.031 6.703 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.422 7.673 1.914 1.00 0.00 H new ATOM 736 N PHE A 45 -3.874 3.547 -0.237 1.00 0.00 N ATOM 737 CA PHE A 45 -4.612 3.176 -1.439 1.00 0.00 C ATOM 738 C PHE A 45 -5.476 4.335 -1.926 1.00 0.00 C ATOM 739 O PHE A 45 -6.065 5.055 -1.121 1.00 0.00 O ATOM 740 CB PHE A 45 -5.489 1.950 -1.157 1.00 0.00 C ATOM 741 CG PHE A 45 -4.739 0.783 -0.574 1.00 0.00 C ATOM 742 CD1 PHE A 45 -4.228 0.841 0.714 1.00 0.00 C ATOM 743 CD2 PHE A 45 -4.554 -0.376 -1.309 1.00 0.00 C ATOM 744 CE1 PHE A 45 -3.543 -0.231 1.255 1.00 0.00 C ATOM 745 CE2 PHE A 45 -3.871 -1.452 -0.773 1.00 0.00 C ATOM 746 CZ PHE A 45 -3.365 -1.379 0.510 1.00 0.00 C ATOM 0 H PHE A 45 -4.452 3.929 0.512 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.894 2.932 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.286 2.236 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.966 1.635 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.367 1.736 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.948 -0.440 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.148 -0.170 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.733 -2.350 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.831 -2.219 0.930 1.00 0.00 H new ATOM 756 N ALA A 46 -5.551 4.518 -3.245 1.00 0.00 N ATOM 757 CA ALA A 46 -6.355 5.605 -3.803 1.00 0.00 C ATOM 758 C ALA A 46 -6.876 5.268 -5.196 1.00 0.00 C ATOM 759 O ALA A 46 -6.110 4.927 -6.095 1.00 0.00 O ATOM 760 CB ALA A 46 -5.544 6.891 -3.841 1.00 0.00 C ATOM 0 H ALA A 46 -5.074 3.939 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.219 5.743 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.153 7.693 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.237 7.157 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.660 6.746 -4.462 1.00 0.00 H new ATOM 766 N GLY A 47 -8.192 5.379 -5.365 1.00 0.00 N ATOM 767 CA GLY A 47 -8.810 5.090 -6.647 1.00 0.00 C ATOM 768 C GLY A 47 -8.311 5.997 -7.756 1.00 0.00 C ATOM 769 O GLY A 47 -8.091 7.188 -7.538 1.00 0.00 O ATOM 0 H GLY A 47 -8.843 5.665 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.612 4.052 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.891 5.195 -6.556 1.00 0.00 H new ATOM 868 N MET B 1 -1.360 -3.509 11.691 1.00 0.00 N ATOM 869 CA MET B 1 -0.944 -2.231 11.117 1.00 0.00 C ATOM 870 C MET B 1 -2.084 -1.564 10.349 1.00 0.00 C ATOM 871 O MET B 1 -2.435 -1.986 9.247 1.00 0.00 O ATOM 872 CB MET B 1 0.257 -2.427 10.187 1.00 0.00 C ATOM 873 CG MET B 1 0.042 -3.500 9.130 1.00 0.00 C ATOM 874 SD MET B 1 1.418 -3.626 7.972 1.00 0.00 S ATOM 875 CE MET B 1 1.312 -2.040 7.149 1.00 0.00 C ATOM 0 H1 MET B 1 -0.527 -4.013 12.057 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.031 -3.339 12.467 1.00 0.00 H new ATOM 0 H3 MET B 1 -1.818 -4.086 10.957 1.00 0.00 H new ATOM 0 HA MET B 1 -0.660 -1.579 11.943 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.481 -1.482 9.692 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.130 -2.688 10.785 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.103 -4.463 9.620 1.00 0.00 H new ATOM 0 HG3 MET B 1 -0.872 -3.282 8.578 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.924 -2.056 6.247 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.275 -1.838 6.880 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.672 -1.258 7.818 1.00 0.00 H new ATOM 885 N GLN B 2 -2.646 -0.510 10.933 1.00 0.00 N ATOM 886 CA GLN B 2 -3.731 0.227 10.298 1.00 0.00 C ATOM 887 C GLN B 2 -3.222 0.945 9.050 1.00 0.00 C ATOM 888 O GLN B 2 -2.223 1.663 9.098 1.00 0.00 O ATOM 889 CB GLN B 2 -4.332 1.228 11.286 1.00 0.00 C ATOM 890 CG GLN B 2 -3.330 2.242 11.815 1.00 0.00 C ATOM 891 CD GLN B 2 -3.902 3.139 12.900 1.00 0.00 C ATOM 892 OE1 GLN B 2 -5.142 2.878 13.305 1.00 0.00 O flip ATOM 893 NE2 GLN B 2 -3.233 4.054 13.378 1.00 0.00 N flip ATOM 0 H GLN B 2 -2.367 -0.148 11.845 1.00 0.00 H new ATOM 0 HA GLN B 2 -4.508 -0.476 9.998 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.150 1.759 10.799 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.761 0.682 12.126 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.462 1.714 12.210 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -2.978 2.861 10.989 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -2.285 4.223 13.041 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -3.626 4.644 14.111 1.00 0.00 H new ATOM 902 N ILE B 3 -3.907 0.733 7.931 1.00 0.00 N ATOM 903 CA ILE B 3 -3.518 1.344 6.667 1.00 0.00 C ATOM 904 C ILE B 3 -4.316 2.611 6.376 1.00 0.00 C ATOM 905 O ILE B 3 -5.533 2.650 6.557 1.00 0.00 O ATOM 906 CB ILE B 3 -3.702 0.358 5.496 1.00 0.00 C ATOM 907 CG1 ILE B 3 -5.179 -0.002 5.323 1.00 0.00 C ATOM 908 CG2 ILE B 3 -2.872 -0.895 5.730 1.00 0.00 C ATOM 909 CD1 ILE B 3 -5.431 -0.997 4.213 1.00 0.00 C ATOM 0 H ILE B 3 -4.736 0.141 7.875 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.465 1.608 6.763 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.358 0.838 4.580 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.557 -0.411 6.260 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -5.745 0.907 5.121 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -3.010 -1.584 4.897 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.819 -0.625 5.807 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.192 -1.376 6.655 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.499 -1.206 4.147 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -5.083 -0.582 3.267 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.893 -1.921 4.424 1.00 0.00 H new ATOM 921 N PHE B 4 -3.621 3.644 5.908 1.00 0.00 N ATOM 922 CA PHE B 4 -4.263 4.909 5.571 1.00 0.00 C ATOM 923 C PHE B 4 -4.706 4.900 4.113 1.00 0.00 C ATOM 924 O PHE B 4 -3.909 4.628 3.219 1.00 0.00 O ATOM 925 CB PHE B 4 -3.309 6.084 5.816 1.00 0.00 C ATOM 926 CG PHE B 4 -2.929 6.281 7.259 1.00 0.00 C ATOM 927 CD1 PHE B 4 -2.399 5.240 8.006 1.00 0.00 C ATOM 928 CD2 PHE B 4 -3.095 7.516 7.865 1.00 0.00 C ATOM 929 CE1 PHE B 4 -2.048 5.426 9.328 1.00 0.00 C ATOM 930 CE2 PHE B 4 -2.744 7.708 9.187 1.00 0.00 C ATOM 931 CZ PHE B 4 -2.220 6.662 9.920 1.00 0.00 C ATOM 0 H PHE B 4 -2.613 3.629 5.754 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.137 5.030 6.211 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.402 5.929 5.231 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.774 6.998 5.447 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -2.259 4.272 7.548 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.504 8.338 7.297 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -1.639 4.606 9.899 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -2.879 8.676 9.647 1.00 0.00 H new ATOM 0 HZ PHE B 4 -1.945 6.810 10.954 1.00 0.00 H new ATOM 941 N VAL B 5 -5.978 5.197 3.876 1.00 0.00 N ATOM 942 CA VAL B 5 -6.513 5.216 2.520 1.00 0.00 C ATOM 943 C VAL B 5 -7.659 6.214 2.385 1.00 0.00 C ATOM 944 O VAL B 5 -8.568 6.250 3.212 1.00 0.00 O ATOM 945 CB VAL B 5 -6.978 3.808 2.083 1.00 0.00 C ATOM 946 CG1 VAL B 5 -7.651 3.081 3.235 1.00 0.00 C ATOM 947 CG2 VAL B 5 -7.911 3.889 0.883 1.00 0.00 C ATOM 0 H VAL B 5 -6.656 5.427 4.602 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.705 5.534 1.861 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.095 3.240 1.788 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.970 2.092 2.905 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.947 2.978 4.061 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -8.519 3.650 3.567 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.223 2.885 0.596 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.788 4.481 1.144 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.391 4.359 0.049 1.00 0.00 H new ATOM 957 N LYS B 6 -7.601 7.028 1.336 1.00 0.00 N ATOM 958 CA LYS B 6 -8.626 8.036 1.085 1.00 0.00 C ATOM 959 C LYS B 6 -9.809 7.439 0.327 1.00 0.00 C ATOM 960 O LYS B 6 -9.631 6.783 -0.700 1.00 0.00 O ATOM 961 CB LYS B 6 -8.029 9.201 0.291 1.00 0.00 C ATOM 962 CG LYS B 6 -9.017 10.323 0.010 1.00 0.00 C ATOM 963 CD LYS B 6 -8.374 11.448 -0.785 1.00 0.00 C ATOM 964 CE LYS B 6 -7.221 12.088 -0.025 1.00 0.00 C ATOM 965 NZ LYS B 6 -7.665 12.669 1.272 1.00 0.00 N ATOM 0 H LYS B 6 -6.852 7.009 0.644 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.988 8.402 2.046 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.180 9.606 0.842 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -7.644 8.823 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -9.870 9.928 -0.542 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -9.401 10.715 0.952 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -8.011 11.060 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -9.123 12.206 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -6.448 11.342 0.157 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -6.772 12.869 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -6.908 13.266 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -8.518 13.245 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -7.880 11.902 1.941 1.00 0.00 H new ATOM 979 N THR B 7 -11.015 7.674 0.834 1.00 0.00 N ATOM 980 CA THR B 7 -12.223 7.160 0.198 1.00 0.00 C ATOM 981 C THR B 7 -12.602 7.996 -1.022 1.00 0.00 C ATOM 982 O THR B 7 -11.760 8.675 -1.609 1.00 0.00 O ATOM 983 CB THR B 7 -13.412 7.136 1.177 1.00 0.00 C ATOM 984 OG1 THR B 7 -13.664 8.456 1.676 1.00 0.00 O ATOM 985 CG2 THR B 7 -13.144 6.193 2.338 1.00 0.00 C ATOM 0 H THR B 7 -11.182 8.216 1.682 1.00 0.00 H new ATOM 0 HA THR B 7 -12.002 6.140 -0.116 1.00 0.00 H new ATOM 0 HB THR B 7 -14.288 6.778 0.636 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.019 8.667 2.383 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.999 6.195 3.014 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.985 5.184 1.958 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.255 6.522 2.877 1.00 0.00 H new ATOM 993 N LEU B 8 -13.877 7.939 -1.395 1.00 0.00 N ATOM 994 CA LEU B 8 -14.379 8.686 -2.542 1.00 0.00 C ATOM 995 C LEU B 8 -14.669 10.138 -2.171 1.00 0.00 C ATOM 996 O LEU B 8 -14.225 11.063 -2.853 1.00 0.00 O ATOM 997 CB LEU B 8 -15.645 8.021 -3.082 1.00 0.00 C ATOM 998 CG LEU B 8 -15.437 6.621 -3.663 1.00 0.00 C ATOM 999 CD1 LEU B 8 -16.760 5.896 -3.811 1.00 0.00 C ATOM 1000 CD2 LEU B 8 -14.727 6.701 -5.001 1.00 0.00 C ATOM 0 H LEU B 8 -14.584 7.380 -0.917 1.00 0.00 H new ATOM 0 HA LEU B 8 -13.610 8.682 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -16.378 7.960 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -16.073 8.660 -3.855 1.00 0.00 H new ATOM 0 HG LEU B 8 -14.813 6.056 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -16.586 4.903 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -17.235 5.803 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -17.411 6.460 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -14.587 5.696 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -15.327 7.287 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -13.755 7.177 -4.869 1.00 0.00 H new ATOM 1012 N THR B 9 -15.422 10.331 -1.093 1.00 0.00 N ATOM 1013 CA THR B 9 -15.776 11.671 -0.638 1.00 0.00 C ATOM 1014 C THR B 9 -14.575 12.400 -0.042 1.00 0.00 C ATOM 1015 O THR B 9 -14.341 13.571 -0.342 1.00 0.00 O ATOM 1016 CB THR B 9 -16.911 11.629 0.403 1.00 0.00 C ATOM 1017 OG1 THR B 9 -17.190 12.952 0.878 1.00 0.00 O ATOM 1018 CG2 THR B 9 -16.544 10.732 1.576 1.00 0.00 C ATOM 0 H THR B 9 -15.799 9.577 -0.518 1.00 0.00 H new ATOM 0 HA THR B 9 -16.118 12.217 -1.517 1.00 0.00 H new ATOM 0 HB THR B 9 -17.798 11.220 -0.080 1.00 0.00 H new ATOM 0 HG1 THR B 9 -17.914 12.917 1.538 1.00 0.00 H new ATOM 0 HG21 THR B 9 -17.363 10.721 2.295 1.00 0.00 H new ATOM 0 HG22 THR B 9 -16.363 9.719 1.217 1.00 0.00 H new ATOM 0 HG23 THR B 9 -15.643 11.113 2.057 1.00 0.00 H new ATOM 1026 N GLY B 10 -13.817 11.706 0.802 1.00 0.00 N ATOM 1027 CA GLY B 10 -12.655 12.316 1.421 1.00 0.00 C ATOM 1028 C GLY B 10 -12.266 11.650 2.728 1.00 0.00 C ATOM 1029 O GLY B 10 -11.082 11.547 3.050 1.00 0.00 O ATOM 0 H GLY B 10 -13.986 10.736 1.067 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -11.814 12.268 0.730 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -12.858 13.371 1.603 1.00 0.00 H new ATOM 1033 N LYS B 11 -13.268 11.209 3.485 1.00 0.00 N ATOM 1034 CA LYS B 11 -13.036 10.560 4.773 1.00 0.00 C ATOM 1035 C LYS B 11 -11.971 9.472 4.663 1.00 0.00 C ATOM 1036 O LYS B 11 -12.031 8.615 3.783 1.00 0.00 O ATOM 1037 CB LYS B 11 -14.337 9.956 5.302 1.00 0.00 C ATOM 1038 CG LYS B 11 -14.186 9.270 6.651 1.00 0.00 C ATOM 1039 CD LYS B 11 -15.479 8.602 7.086 1.00 0.00 C ATOM 1040 CE LYS B 11 -15.335 7.941 8.448 1.00 0.00 C ATOM 1041 NZ LYS B 11 -16.594 7.273 8.878 1.00 0.00 N ATOM 0 H LYS B 11 -14.252 11.290 3.227 1.00 0.00 H new ATOM 0 HA LYS B 11 -12.679 11.319 5.469 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -15.086 10.744 5.386 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -14.714 9.234 4.577 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -13.392 8.525 6.594 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -13.884 10.002 7.400 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -16.278 9.343 7.123 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -15.770 7.855 6.347 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -14.529 7.208 8.412 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -15.051 8.690 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -16.454 6.835 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -17.358 7.977 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -16.852 6.540 8.187 1.00 0.00 H new ATOM 1055 N THR B 12 -10.999 9.514 5.569 1.00 0.00 N ATOM 1056 CA THR B 12 -9.920 8.534 5.583 1.00 0.00 C ATOM 1057 C THR B 12 -10.348 7.255 6.294 1.00 0.00 C ATOM 1058 O THR B 12 -10.933 7.303 7.377 1.00 0.00 O ATOM 1059 CB THR B 12 -8.667 9.092 6.280 1.00 0.00 C ATOM 1060 OG1 THR B 12 -8.253 10.309 5.646 1.00 0.00 O ATOM 1061 CG2 THR B 12 -7.527 8.084 6.240 1.00 0.00 C ATOM 0 H THR B 12 -10.937 10.218 6.304 1.00 0.00 H new ATOM 0 HA THR B 12 -9.684 8.310 4.543 1.00 0.00 H new ATOM 0 HB THR B 12 -8.919 9.291 7.322 1.00 0.00 H new ATOM 0 HG1 THR B 12 -7.456 10.658 6.097 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.653 8.503 6.739 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.832 7.169 6.749 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.278 7.857 5.203 1.00 0.00 H new ATOM 1069 N ILE B 13 -10.045 6.112 5.687 1.00 0.00 N ATOM 1070 CA ILE B 13 -10.391 4.823 6.274 1.00 0.00 C ATOM 1071 C ILE B 13 -9.195 4.178 6.953 1.00 0.00 C ATOM 1072 O ILE B 13 -8.116 4.071 6.371 1.00 0.00 O ATOM 1073 CB ILE B 13 -10.941 3.831 5.232 1.00 0.00 C ATOM 1074 CG1 ILE B 13 -10.687 4.331 3.811 1.00 0.00 C ATOM 1075 CG2 ILE B 13 -12.419 3.580 5.463 1.00 0.00 C ATOM 1076 CD1 ILE B 13 -11.173 3.379 2.743 1.00 0.00 C ATOM 0 H ILE B 13 -9.562 6.052 4.791 1.00 0.00 H new ATOM 0 HA ILE B 13 -11.167 5.038 7.009 1.00 0.00 H new ATOM 0 HB ILE B 13 -10.412 2.886 5.351 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -11.179 5.294 3.680 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.618 4.499 3.679 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -12.790 2.877 4.717 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -12.566 3.163 6.459 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.965 4.520 5.379 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -10.961 3.797 1.759 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.662 2.422 2.849 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.248 3.230 2.850 1.00 0.00 H new ATOM 1088 N THR B 14 -9.406 3.723 8.179 1.00 0.00 N ATOM 1089 CA THR B 14 -8.362 3.055 8.934 1.00 0.00 C ATOM 1090 C THR B 14 -8.649 1.560 8.959 1.00 0.00 C ATOM 1091 O THR B 14 -9.790 1.151 9.175 1.00 0.00 O ATOM 1092 CB THR B 14 -8.273 3.588 10.373 1.00 0.00 C ATOM 1093 OG1 THR B 14 -8.588 4.985 10.397 1.00 0.00 O ATOM 1094 CG2 THR B 14 -6.876 3.385 10.932 1.00 0.00 C ATOM 0 H THR B 14 -10.295 3.806 8.672 1.00 0.00 H new ATOM 0 HA THR B 14 -7.406 3.252 8.448 1.00 0.00 H new ATOM 0 HB THR B 14 -8.987 3.038 10.986 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.531 5.317 11.317 1.00 0.00 H new ATOM 0 HG21 THR B 14 -6.833 3.769 11.951 1.00 0.00 H new ATOM 0 HG22 THR B 14 -6.636 2.322 10.934 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.155 3.919 10.313 1.00 0.00 H new ATOM 1102 N LEU B 15 -7.634 0.742 8.708 1.00 0.00 N ATOM 1103 CA LEU B 15 -7.834 -0.700 8.679 1.00 0.00 C ATOM 1104 C LEU B 15 -6.513 -1.465 8.803 1.00 0.00 C ATOM 1105 O LEU B 15 -5.650 -1.397 7.930 1.00 0.00 O ATOM 1106 CB LEU B 15 -8.571 -1.055 7.374 1.00 0.00 C ATOM 1107 CG LEU B 15 -8.079 -2.294 6.622 1.00 0.00 C ATOM 1108 CD1 LEU B 15 -8.356 -3.559 7.417 1.00 0.00 C ATOM 1109 CD2 LEU B 15 -8.742 -2.369 5.255 1.00 0.00 C ATOM 0 H LEU B 15 -6.678 1.047 8.524 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.434 -1.000 9.538 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.627 -1.195 7.607 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.504 -0.200 6.702 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.000 -2.211 6.489 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.997 -4.425 6.860 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.842 -3.506 8.377 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.429 -3.656 7.585 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.387 -3.253 4.726 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.823 -2.430 5.378 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.492 -1.478 4.680 1.00 0.00 H new ATOM 1121 N GLU B 16 -6.376 -2.200 9.906 1.00 0.00 N ATOM 1122 CA GLU B 16 -5.178 -2.991 10.169 1.00 0.00 C ATOM 1123 C GLU B 16 -5.187 -4.291 9.366 1.00 0.00 C ATOM 1124 O GLU B 16 -6.226 -4.936 9.226 1.00 0.00 O ATOM 1125 CB GLU B 16 -5.076 -3.302 11.664 1.00 0.00 C ATOM 1126 CG GLU B 16 -6.249 -4.112 12.196 1.00 0.00 C ATOM 1127 CD GLU B 16 -6.132 -4.408 13.678 1.00 0.00 C ATOM 1128 OE1 GLU B 16 -6.075 -3.445 14.472 1.00 0.00 O ATOM 1129 OE2 GLU B 16 -6.100 -5.601 14.045 1.00 0.00 O ATOM 0 H GLU B 16 -7.086 -2.263 10.635 1.00 0.00 H new ATOM 0 HA GLU B 16 -4.311 -2.407 9.860 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -4.152 -3.849 11.851 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -5.010 -2.366 12.218 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -7.175 -3.568 12.011 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -6.316 -5.051 11.646 1.00 0.00 H new ATOM 1136 N VAL B 17 -4.021 -4.670 8.847 1.00 0.00 N ATOM 1137 CA VAL B 17 -3.889 -5.895 8.061 1.00 0.00 C ATOM 1138 C VAL B 17 -2.473 -6.454 8.143 1.00 0.00 C ATOM 1139 O VAL B 17 -1.496 -5.714 8.046 1.00 0.00 O ATOM 1140 CB VAL B 17 -4.240 -5.663 6.579 1.00 0.00 C ATOM 1141 CG1 VAL B 17 -5.732 -5.465 6.399 1.00 0.00 C ATOM 1142 CG2 VAL B 17 -3.477 -4.475 6.028 1.00 0.00 C ATOM 0 H VAL B 17 -3.153 -4.146 8.957 1.00 0.00 H new ATOM 0 HA VAL B 17 -4.592 -6.611 8.487 1.00 0.00 H new ATOM 0 HB VAL B 17 -3.946 -6.552 6.021 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -5.953 -5.303 5.344 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -6.261 -6.351 6.749 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.056 -4.598 6.975 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -3.739 -4.328 4.980 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -3.736 -3.581 6.595 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.406 -4.660 6.112 1.00 0.00 H new ATOM 1152 N GLU B 18 -2.372 -7.767 8.320 1.00 0.00 N ATOM 1153 CA GLU B 18 -1.079 -8.432 8.416 1.00 0.00 C ATOM 1154 C GLU B 18 -0.255 -8.218 7.146 1.00 0.00 C ATOM 1155 O GLU B 18 -0.789 -8.257 6.037 1.00 0.00 O ATOM 1156 CB GLU B 18 -1.273 -9.928 8.664 1.00 0.00 C ATOM 1157 CG GLU B 18 -2.103 -10.234 9.900 1.00 0.00 C ATOM 1158 CD GLU B 18 -2.272 -11.722 10.138 1.00 0.00 C ATOM 1159 OE1 GLU B 18 -1.740 -12.518 9.335 1.00 0.00 O ATOM 1160 OE2 GLU B 18 -2.936 -12.092 11.130 1.00 0.00 O ATOM 0 H GLU B 18 -3.173 -8.393 8.400 1.00 0.00 H new ATOM 0 HA GLU B 18 -0.536 -7.996 9.254 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -1.754 -10.373 7.793 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.296 -10.401 8.765 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.629 -9.782 10.772 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.085 -9.773 9.796 1.00 0.00 H new ATOM 1167 N PRO B 19 1.063 -7.994 7.293 1.00 0.00 N ATOM 1168 CA PRO B 19 1.965 -7.781 6.155 1.00 0.00 C ATOM 1169 C PRO B 19 1.924 -8.939 5.170 1.00 0.00 C ATOM 1170 O PRO B 19 1.956 -8.742 3.955 1.00 0.00 O ATOM 1171 CB PRO B 19 3.356 -7.697 6.795 1.00 0.00 C ATOM 1172 CG PRO B 19 3.194 -8.248 8.171 1.00 0.00 C ATOM 1173 CD PRO B 19 1.783 -7.940 8.575 1.00 0.00 C ATOM 0 HA PRO B 19 1.688 -6.893 5.587 1.00 0.00 H new ATOM 0 HB2 PRO B 19 4.086 -8.272 6.225 1.00 0.00 H new ATOM 0 HB3 PRO B 19 3.714 -6.668 6.824 1.00 0.00 H new ATOM 0 HG2 PRO B 19 3.379 -9.322 8.186 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.906 -7.793 8.860 1.00 0.00 H new ATOM 0 HD2 PRO B 19 1.397 -8.669 9.288 1.00 0.00 H new ATOM 0 HD3 PRO B 19 1.701 -6.960 9.045 1.00 0.00 H new ATOM 1181 N SER B 20 1.859 -10.146 5.711 1.00 0.00 N ATOM 1182 CA SER B 20 1.822 -11.353 4.900 1.00 0.00 C ATOM 1183 C SER B 20 0.556 -11.406 4.051 1.00 0.00 C ATOM 1184 O SER B 20 0.554 -11.979 2.963 1.00 0.00 O ATOM 1185 CB SER B 20 1.909 -12.582 5.801 1.00 0.00 C ATOM 1186 OG SER B 20 1.890 -13.778 5.042 1.00 0.00 O ATOM 0 H SER B 20 1.831 -10.316 6.716 1.00 0.00 H new ATOM 0 HA SER B 20 2.677 -11.341 4.224 1.00 0.00 H new ATOM 0 HB2 SER B 20 2.824 -12.538 6.392 1.00 0.00 H new ATOM 0 HB3 SER B 20 1.075 -12.581 6.503 1.00 0.00 H new ATOM 0 HG SER B 20 1.948 -14.549 5.644 1.00 0.00 H new ATOM 1192 N ASP B 21 -0.521 -10.805 4.553 1.00 0.00 N ATOM 1193 CA ASP B 21 -1.788 -10.790 3.829 1.00 0.00 C ATOM 1194 C ASP B 21 -1.605 -10.188 2.438 1.00 0.00 C ATOM 1195 O ASP B 21 -0.928 -9.174 2.274 1.00 0.00 O ATOM 1196 CB ASP B 21 -2.841 -9.999 4.607 1.00 0.00 C ATOM 1197 CG ASP B 21 -4.201 -10.036 3.937 1.00 0.00 C ATOM 1198 OD1 ASP B 21 -4.745 -11.145 3.760 1.00 0.00 O ATOM 1199 OD2 ASP B 21 -4.722 -8.955 3.591 1.00 0.00 O ATOM 0 H ASP B 21 -0.541 -10.325 5.453 1.00 0.00 H new ATOM 0 HA ASP B 21 -2.130 -11.819 3.722 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -2.924 -10.404 5.616 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.515 -8.964 4.705 1.00 0.00 H new ATOM 1204 N THR B 22 -2.205 -10.828 1.440 1.00 0.00 N ATOM 1205 CA THR B 22 -2.105 -10.369 0.060 1.00 0.00 C ATOM 1206 C THR B 22 -2.771 -9.011 -0.132 1.00 0.00 C ATOM 1207 O THR B 22 -3.777 -8.703 0.509 1.00 0.00 O ATOM 1208 CB THR B 22 -2.733 -11.379 -0.915 1.00 0.00 C ATOM 1209 OG1 THR B 22 -4.113 -11.579 -0.591 1.00 0.00 O ATOM 1210 CG2 THR B 22 -1.998 -12.709 -0.858 1.00 0.00 C ATOM 0 H THR B 22 -2.768 -11.670 1.562 1.00 0.00 H new ATOM 0 HA THR B 22 -1.041 -10.275 -0.157 1.00 0.00 H new ATOM 0 HB THR B 22 -2.652 -10.977 -1.925 1.00 0.00 H new ATOM 0 HG1 THR B 22 -4.409 -12.445 -0.941 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.458 -13.409 -1.555 1.00 0.00 H new ATOM 0 HG22 THR B 22 -0.953 -12.559 -1.131 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.055 -13.113 0.153 1.00 0.00 H new ATOM 1218 N ILE B 23 -2.198 -8.204 -1.020 1.00 0.00 N ATOM 1219 CA ILE B 23 -2.723 -6.874 -1.310 1.00 0.00 C ATOM 1220 C ILE B 23 -4.186 -6.937 -1.739 1.00 0.00 C ATOM 1221 O ILE B 23 -4.989 -6.079 -1.374 1.00 0.00 O ATOM 1222 CB ILE B 23 -1.908 -6.177 -2.419 1.00 0.00 C ATOM 1223 CG1 ILE B 23 -0.433 -6.081 -2.016 1.00 0.00 C ATOM 1224 CG2 ILE B 23 -2.476 -4.795 -2.705 1.00 0.00 C ATOM 1225 CD1 ILE B 23 0.449 -5.467 -3.083 1.00 0.00 C ATOM 0 H ILE B 23 -1.365 -8.450 -1.554 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.642 -6.298 -0.388 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.978 -6.772 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.352 -5.489 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.064 -7.079 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.890 -4.316 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.512 -4.888 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -2.433 -4.190 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE B 23 1.479 -5.431 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE B 23 0.398 -6.071 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.105 -4.456 -3.302 1.00 0.00 H new ATOM 1237 N GLU B 24 -4.526 -7.953 -2.524 1.00 0.00 N ATOM 1238 CA GLU B 24 -5.891 -8.122 -3.009 1.00 0.00 C ATOM 1239 C GLU B 24 -6.886 -8.194 -1.853 1.00 0.00 C ATOM 1240 O GLU B 24 -7.983 -7.641 -1.933 1.00 0.00 O ATOM 1241 CB GLU B 24 -5.996 -9.380 -3.873 1.00 0.00 C ATOM 1242 CG GLU B 24 -5.569 -10.651 -3.157 1.00 0.00 C ATOM 1243 CD GLU B 24 -5.705 -11.886 -4.025 1.00 0.00 C ATOM 1244 OE1 GLU B 24 -6.844 -12.212 -4.418 1.00 0.00 O ATOM 1245 OE2 GLU B 24 -4.673 -12.524 -4.317 1.00 0.00 O ATOM 0 H GLU B 24 -3.875 -8.673 -2.838 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.140 -7.251 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.026 -9.493 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -5.381 -9.251 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -4.532 -10.551 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -6.172 -10.776 -2.257 1.00 0.00 H new ATOM 1252 N ASN B 25 -6.503 -8.885 -0.784 1.00 0.00 N ATOM 1253 CA ASN B 25 -7.370 -9.035 0.383 1.00 0.00 C ATOM 1254 C ASN B 25 -7.569 -7.715 1.126 1.00 0.00 C ATOM 1255 O ASN B 25 -8.700 -7.345 1.439 1.00 0.00 O ATOM 1256 CB ASN B 25 -6.808 -10.095 1.332 1.00 0.00 C ATOM 1257 CG ASN B 25 -6.985 -11.501 0.792 1.00 0.00 C ATOM 1258 OD1 ASN B 25 -6.566 -11.809 -0.323 1.00 0.00 O ATOM 1259 ND2 ASN B 25 -7.608 -12.365 1.584 1.00 0.00 N ATOM 0 H ASN B 25 -5.599 -9.350 -0.700 1.00 0.00 H new ATOM 0 HA ASN B 25 -8.346 -9.357 0.021 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.748 -9.903 1.501 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -7.305 -10.014 2.299 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -7.755 -13.326 1.275 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.940 -12.068 2.502 1.00 0.00 H new ATOM 1266 N VAL B 26 -6.477 -7.008 1.420 1.00 0.00 N ATOM 1267 CA VAL B 26 -6.579 -5.738 2.139 1.00 0.00 C ATOM 1268 C VAL B 26 -7.481 -4.756 1.393 1.00 0.00 C ATOM 1269 O VAL B 26 -8.288 -4.057 2.005 1.00 0.00 O ATOM 1270 CB VAL B 26 -5.201 -5.080 2.385 1.00 0.00 C ATOM 1271 CG1 VAL B 26 -4.258 -6.045 3.089 1.00 0.00 C ATOM 1272 CG2 VAL B 26 -4.590 -4.570 1.093 1.00 0.00 C ATOM 0 H VAL B 26 -5.527 -7.287 1.176 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.017 -5.974 3.109 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.357 -4.220 3.036 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.295 -5.560 3.251 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.685 -6.335 4.049 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.118 -6.932 2.471 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.623 -4.114 1.303 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.457 -5.401 0.401 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.251 -3.828 0.646 1.00 0.00 H new ATOM 1282 N LYS B 27 -7.342 -4.711 0.070 1.00 0.00 N ATOM 1283 CA LYS B 27 -8.151 -3.817 -0.753 1.00 0.00 C ATOM 1284 C LYS B 27 -9.605 -4.277 -0.785 1.00 0.00 C ATOM 1285 O LYS B 27 -10.527 -3.462 -0.766 1.00 0.00 O ATOM 1286 CB LYS B 27 -7.599 -3.748 -2.180 1.00 0.00 C ATOM 1287 CG LYS B 27 -6.149 -3.292 -2.254 1.00 0.00 C ATOM 1288 CD LYS B 27 -5.702 -3.048 -3.688 1.00 0.00 C ATOM 1289 CE LYS B 27 -5.827 -4.299 -4.541 1.00 0.00 C ATOM 1290 NZ LYS B 27 -5.319 -4.083 -5.924 1.00 0.00 N ATOM 0 H LYS B 27 -6.678 -5.282 -0.453 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.107 -2.823 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -7.685 -4.732 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -8.215 -3.066 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.027 -2.377 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.508 -4.046 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -6.302 -2.250 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.667 -2.707 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.273 -5.113 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.872 -4.607 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.604 -4.881 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.717 -3.201 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.281 -4.015 -5.906 1.00 0.00 H new ATOM 1304 N ALA B 28 -9.798 -5.592 -0.841 1.00 0.00 N ATOM 1305 CA ALA B 28 -11.133 -6.176 -0.887 1.00 0.00 C ATOM 1306 C ALA B 28 -12.001 -5.694 0.272 1.00 0.00 C ATOM 1307 O ALA B 28 -13.183 -5.401 0.090 1.00 0.00 O ATOM 1308 CB ALA B 28 -11.040 -7.695 -0.881 1.00 0.00 C ATOM 0 H ALA B 28 -9.041 -6.276 -0.856 1.00 0.00 H new ATOM 0 HA ALA B 28 -11.608 -5.848 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -12.043 -8.121 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.474 -8.028 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.537 -8.025 0.028 1.00 0.00 H new ATOM 1314 N LYS B 29 -11.413 -5.616 1.461 1.00 0.00 N ATOM 1315 CA LYS B 29 -12.140 -5.169 2.641 1.00 0.00 C ATOM 1316 C LYS B 29 -12.484 -3.698 2.518 1.00 0.00 C ATOM 1317 O LYS B 29 -13.567 -3.273 2.911 1.00 0.00 O ATOM 1318 CB LYS B 29 -11.314 -5.425 3.900 1.00 0.00 C ATOM 1319 CG LYS B 29 -10.750 -6.834 3.959 1.00 0.00 C ATOM 1320 CD LYS B 29 -10.115 -7.138 5.305 1.00 0.00 C ATOM 1321 CE LYS B 29 -11.138 -7.092 6.430 1.00 0.00 C ATOM 1322 NZ LYS B 29 -12.198 -8.125 6.264 1.00 0.00 N ATOM 0 H LYS B 29 -10.437 -5.856 1.632 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.068 -5.735 2.718 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.494 -4.708 3.943 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.936 -5.251 4.778 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.547 -7.552 3.764 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.007 -6.960 3.171 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.651 -8.124 5.275 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.321 -6.418 5.504 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.634 -7.241 7.385 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.597 -6.104 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.752 -8.197 7.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.825 -7.856 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.758 -9.044 6.056 1.00 0.00 H new ATOM 1336 N ILE B 30 -11.562 -2.927 1.951 1.00 0.00 N ATOM 1337 CA ILE B 30 -11.790 -1.506 1.757 1.00 0.00 C ATOM 1338 C ILE B 30 -13.047 -1.303 0.920 1.00 0.00 C ATOM 1339 O ILE B 30 -13.809 -0.363 1.145 1.00 0.00 O ATOM 1340 CB ILE B 30 -10.589 -0.820 1.083 1.00 0.00 C ATOM 1341 CG1 ILE B 30 -9.344 -0.953 1.966 1.00 0.00 C ATOM 1342 CG2 ILE B 30 -10.903 0.646 0.811 1.00 0.00 C ATOM 1343 CD1 ILE B 30 -8.108 -0.299 1.388 1.00 0.00 C ATOM 0 H ILE B 30 -10.657 -3.262 1.621 1.00 0.00 H new ATOM 0 HA ILE B 30 -11.919 -1.047 2.737 1.00 0.00 H new ATOM 0 HB ILE B 30 -10.390 -1.310 0.130 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -9.554 -0.513 2.941 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -9.139 -2.011 2.131 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -10.045 1.119 0.334 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -11.769 0.717 0.153 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -11.120 1.152 1.752 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -7.270 -0.437 2.071 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -7.871 -0.755 0.427 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.291 0.766 1.249 1.00 0.00 H new ATOM 1355 N GLN B 31 -13.278 -2.220 -0.022 1.00 0.00 N ATOM 1356 CA GLN B 31 -14.466 -2.166 -0.858 1.00 0.00 C ATOM 1357 C GLN B 31 -15.684 -2.266 0.039 1.00 0.00 C ATOM 1358 O GLN B 31 -16.667 -1.547 -0.134 1.00 0.00 O ATOM 1359 CB GLN B 31 -14.474 -3.310 -1.874 1.00 0.00 C ATOM 1360 CG GLN B 31 -13.269 -3.322 -2.799 1.00 0.00 C ATOM 1361 CD GLN B 31 -13.327 -4.453 -3.806 1.00 0.00 C ATOM 1362 OE1 GLN B 31 -12.358 -5.357 -3.735 1.00 0.00 O flip ATOM 1363 NE2 GLN B 31 -14.235 -4.517 -4.634 1.00 0.00 N flip ATOM 0 H GLN B 31 -12.657 -3.004 -0.220 1.00 0.00 H new ATOM 0 HA GLN B 31 -14.475 -1.228 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -14.517 -4.258 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -15.380 -3.242 -2.475 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -13.210 -2.371 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -12.359 -3.413 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -14.960 -3.800 -4.653 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -14.263 -5.288 -5.302 1.00 0.00 H new ATOM 1372 N ASP B 32 -15.587 -3.151 1.026 1.00 0.00 N ATOM 1373 CA ASP B 32 -16.654 -3.334 1.990 1.00 0.00 C ATOM 1374 C ASP B 32 -16.770 -2.075 2.836 1.00 0.00 C ATOM 1375 O ASP B 32 -17.864 -1.632 3.185 1.00 0.00 O ATOM 1376 CB ASP B 32 -16.375 -4.552 2.877 1.00 0.00 C ATOM 1377 CG ASP B 32 -17.501 -4.838 3.855 1.00 0.00 C ATOM 1378 OD1 ASP B 32 -18.497 -4.086 3.854 1.00 0.00 O ATOM 1379 OD2 ASP B 32 -17.384 -5.817 4.620 1.00 0.00 O ATOM 0 H ASP B 32 -14.776 -3.752 1.175 1.00 0.00 H new ATOM 0 HA ASP B 32 -17.593 -3.511 1.466 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -16.217 -5.427 2.246 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -15.451 -4.388 3.432 1.00 0.00 H new ATOM 1384 N LYS B 33 -15.610 -1.498 3.139 1.00 0.00 N ATOM 1385 CA LYS B 33 -15.521 -0.276 3.922 1.00 0.00 C ATOM 1386 C LYS B 33 -15.854 0.939 3.062 1.00 0.00 C ATOM 1387 O LYS B 33 -15.779 2.079 3.521 1.00 0.00 O ATOM 1388 CB LYS B 33 -14.117 -0.143 4.514 1.00 0.00 C ATOM 1389 CG LYS B 33 -13.803 -1.188 5.574 1.00 0.00 C ATOM 1390 CD LYS B 33 -12.401 -1.015 6.138 1.00 0.00 C ATOM 1391 CE LYS B 33 -12.238 0.324 6.842 1.00 0.00 C ATOM 1392 NZ LYS B 33 -13.189 0.474 7.977 1.00 0.00 N ATOM 0 H LYS B 33 -14.706 -1.868 2.846 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.246 -0.325 4.734 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -13.384 -0.220 3.711 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -14.008 0.850 4.951 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -14.531 -1.117 6.382 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -13.901 -2.184 5.143 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -12.189 -1.823 6.839 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -11.672 -1.093 5.331 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.216 0.419 7.210 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -12.396 1.132 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -12.897 1.276 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -14.146 0.647 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -13.190 -0.396 8.547 1.00 0.00 H new ATOM 1406 N GLU B 34 -16.222 0.680 1.811 1.00 0.00 N ATOM 1407 CA GLU B 34 -16.570 1.737 0.870 1.00 0.00 C ATOM 1408 C GLU B 34 -17.217 1.137 -0.379 1.00 0.00 C ATOM 1409 O GLU B 34 -18.361 0.688 -0.332 1.00 0.00 O ATOM 1410 CB GLU B 34 -15.325 2.551 0.497 1.00 0.00 C ATOM 1411 CG GLU B 34 -15.622 3.751 -0.390 1.00 0.00 C ATOM 1412 CD GLU B 34 -16.570 4.738 0.262 1.00 0.00 C ATOM 1413 OE1 GLU B 34 -16.227 5.267 1.340 1.00 0.00 O ATOM 1414 OE2 GLU B 34 -17.656 4.982 -0.306 1.00 0.00 O ATOM 0 H GLU B 34 -16.287 -0.261 1.424 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.287 2.408 1.343 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -14.841 2.896 1.410 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -14.615 1.900 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -14.688 4.257 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -16.053 3.406 -1.330 1.00 0.00 H new ATOM 1421 N GLY B 35 -16.484 1.122 -1.491 1.00 0.00 N ATOM 1422 CA GLY B 35 -17.020 0.563 -2.718 1.00 0.00 C ATOM 1423 C GLY B 35 -16.191 0.919 -3.938 1.00 0.00 C ATOM 1424 O GLY B 35 -16.724 1.396 -4.939 1.00 0.00 O ATOM 0 H GLY B 35 -15.534 1.485 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -17.073 -0.522 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -18.040 0.921 -2.860 1.00 0.00 H new ATOM 1428 N ILE B 36 -14.885 0.690 -3.854 1.00 0.00 N ATOM 1429 CA ILE B 36 -13.983 0.990 -4.952 1.00 0.00 C ATOM 1430 C ILE B 36 -13.134 -0.218 -5.341 1.00 0.00 C ATOM 1431 O ILE B 36 -12.368 -0.739 -4.529 1.00 0.00 O ATOM 1432 CB ILE B 36 -13.044 2.165 -4.607 1.00 0.00 C ATOM 1433 CG1 ILE B 36 -12.944 2.370 -3.088 1.00 0.00 C ATOM 1434 CG2 ILE B 36 -13.520 3.442 -5.279 1.00 0.00 C ATOM 1435 CD1 ILE B 36 -12.352 1.198 -2.333 1.00 0.00 C ATOM 0 H ILE B 36 -14.429 0.296 -3.031 1.00 0.00 H new ATOM 0 HA ILE B 36 -14.616 1.265 -5.796 1.00 0.00 H new ATOM 0 HB ILE B 36 -12.051 1.919 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.338 3.255 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.940 2.573 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.846 4.260 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -13.530 3.303 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -14.526 3.681 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.319 1.430 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.968 0.313 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.341 1.006 -2.694 1.00 0.00 H new ATOM 1447 N PRO B 37 -13.256 -0.673 -6.601 1.00 0.00 N ATOM 1448 CA PRO B 37 -12.496 -1.813 -7.122 1.00 0.00 C ATOM 1449 C PRO B 37 -11.051 -1.846 -6.622 1.00 0.00 C ATOM 1450 O PRO B 37 -10.432 -0.802 -6.418 1.00 0.00 O ATOM 1451 CB PRO B 37 -12.526 -1.554 -8.620 1.00 0.00 C ATOM 1452 CG PRO B 37 -13.858 -0.934 -8.857 1.00 0.00 C ATOM 1453 CD PRO B 37 -14.156 -0.109 -7.630 1.00 0.00 C ATOM 0 HA PRO B 37 -12.916 -2.769 -6.809 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -11.718 -0.890 -8.926 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -12.410 -2.478 -9.186 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -13.845 -0.312 -9.752 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -14.622 -1.696 -9.010 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -13.956 0.949 -7.801 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -15.202 -0.192 -7.336 1.00 0.00 H new ATOM 1461 N PRO B 38 -10.496 -3.055 -6.421 1.00 0.00 N ATOM 1462 CA PRO B 38 -9.117 -3.225 -5.944 1.00 0.00 C ATOM 1463 C PRO B 38 -8.091 -2.578 -6.870 1.00 0.00 C ATOM 1464 O PRO B 38 -7.100 -2.009 -6.413 1.00 0.00 O ATOM 1465 CB PRO B 38 -8.922 -4.747 -5.924 1.00 0.00 C ATOM 1466 CG PRO B 38 -10.296 -5.318 -5.897 1.00 0.00 C ATOM 1467 CD PRO B 38 -11.165 -4.348 -6.644 1.00 0.00 C ATOM 0 HA PRO B 38 -8.970 -2.748 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.373 -5.085 -6.803 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.349 -5.059 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.318 -6.302 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.645 -5.445 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.223 -4.594 -7.704 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.186 -4.344 -6.261 1.00 0.00 H new ATOM 1475 N ASP B 39 -8.333 -2.674 -8.174 1.00 0.00 N ATOM 1476 CA ASP B 39 -7.429 -2.108 -9.168 1.00 0.00 C ATOM 1477 C ASP B 39 -7.315 -0.597 -9.010 1.00 0.00 C ATOM 1478 O ASP B 39 -6.233 -0.027 -9.162 1.00 0.00 O ATOM 1479 CB ASP B 39 -7.914 -2.448 -10.579 1.00 0.00 C ATOM 1480 CG ASP B 39 -7.981 -3.942 -10.823 1.00 0.00 C ATOM 1481 OD1 ASP B 39 -6.930 -4.609 -10.718 1.00 0.00 O ATOM 1482 OD2 ASP B 39 -9.085 -4.446 -11.119 1.00 0.00 O ATOM 0 H ASP B 39 -9.151 -3.140 -8.567 1.00 0.00 H new ATOM 0 HA ASP B 39 -6.442 -2.544 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -8.901 -2.013 -10.736 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.245 -1.993 -11.310 1.00 0.00 H new ATOM 1487 N GLN B 40 -8.437 0.049 -8.710 1.00 0.00 N ATOM 1488 CA GLN B 40 -8.461 1.495 -8.539 1.00 0.00 C ATOM 1489 C GLN B 40 -7.536 1.937 -7.410 1.00 0.00 C ATOM 1490 O GLN B 40 -6.791 2.906 -7.553 1.00 0.00 O ATOM 1491 CB GLN B 40 -9.880 1.970 -8.247 1.00 0.00 C ATOM 1492 CG GLN B 40 -10.849 1.765 -9.398 1.00 0.00 C ATOM 1493 CD GLN B 40 -12.289 2.029 -8.996 1.00 0.00 C ATOM 1494 OE1 GLN B 40 -12.504 2.294 -7.709 1.00 0.00 O flip ATOM 1495 NE2 GLN B 40 -13.195 1.986 -9.828 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.340 -0.407 -8.581 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.110 1.942 -9.469 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.256 1.442 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.852 3.030 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -10.577 2.427 -10.221 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -10.759 0.743 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.982 1.779 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.159 2.157 -9.542 1.00 0.00 H new ATOM 1504 N GLN B 41 -7.599 1.228 -6.287 1.00 0.00 N ATOM 1505 CA GLN B 41 -6.776 1.556 -5.129 1.00 0.00 C ATOM 1506 C GLN B 41 -5.300 1.614 -5.507 1.00 0.00 C ATOM 1507 O GLN B 41 -4.709 0.611 -5.908 1.00 0.00 O ATOM 1508 CB GLN B 41 -7.007 0.528 -4.024 1.00 0.00 C ATOM 1509 CG GLN B 41 -8.442 0.502 -3.524 1.00 0.00 C ATOM 1510 CD GLN B 41 -8.705 -0.628 -2.551 1.00 0.00 C ATOM 1511 OE1 GLN B 41 -8.036 -0.748 -1.526 1.00 0.00 O ATOM 1512 NE2 GLN B 41 -9.691 -1.460 -2.866 1.00 0.00 N ATOM 0 H GLN B 41 -8.211 0.423 -6.155 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.065 2.542 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.740 -0.462 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -6.341 0.746 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -8.671 1.452 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -9.117 0.407 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -10.219 -1.322 -3.727 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.920 -2.237 -2.247 1.00 0.00 H new ATOM 1521 N ARG B 42 -4.716 2.802 -5.386 1.00 0.00 N ATOM 1522 CA ARG B 42 -3.317 3.007 -5.723 1.00 0.00 C ATOM 1523 C ARG B 42 -2.401 2.712 -4.542 1.00 0.00 C ATOM 1524 O ARG B 42 -2.549 3.298 -3.473 1.00 0.00 O ATOM 1525 CB ARG B 42 -3.090 4.438 -6.211 1.00 0.00 C ATOM 1526 CG ARG B 42 -1.651 4.723 -6.611 1.00 0.00 C ATOM 1527 CD ARG B 42 -1.473 6.160 -7.069 1.00 0.00 C ATOM 1528 NE ARG B 42 -1.825 7.115 -6.022 1.00 0.00 N ATOM 1529 CZ ARG B 42 -1.750 8.435 -6.171 1.00 0.00 C ATOM 1530 NH1 ARG B 42 -1.336 8.954 -7.319 1.00 0.00 N ATOM 1531 NH2 ARG B 42 -2.090 9.236 -5.170 1.00 0.00 N ATOM 0 H ARG B 42 -5.195 3.639 -5.055 1.00 0.00 H new ATOM 0 HA ARG B 42 -3.070 2.308 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.740 4.630 -7.064 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.384 5.132 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -0.992 4.525 -5.766 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.354 4.046 -7.412 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -0.438 6.319 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.093 6.340 -7.947 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.147 6.749 -5.126 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -1.074 8.341 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -1.280 9.966 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -2.409 8.840 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.032 10.248 -5.284 1.00 0.00 H new ATOM 1545 N LEU B 43 -1.443 1.813 -4.747 1.00 0.00 N ATOM 1546 CA LEU B 43 -0.499 1.455 -3.695 1.00 0.00 C ATOM 1547 C LEU B 43 0.505 2.575 -3.454 1.00 0.00 C ATOM 1548 O LEU B 43 1.079 3.124 -4.394 1.00 0.00 O ATOM 1549 CB LEU B 43 0.243 0.164 -4.047 1.00 0.00 C ATOM 1550 CG LEU B 43 -0.648 -1.050 -4.314 1.00 0.00 C ATOM 1551 CD1 LEU B 43 0.197 -2.304 -4.472 1.00 0.00 C ATOM 1552 CD2 LEU B 43 -1.657 -1.228 -3.190 1.00 0.00 C ATOM 0 H LEU B 43 -1.301 1.321 -5.629 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.071 1.297 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.855 0.346 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.924 -0.078 -3.231 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.193 -0.880 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.452 -3.159 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.883 -2.177 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.767 -2.476 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -2.283 -2.096 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.130 -1.377 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.283 -0.339 -3.119 1.00 0.00 H new ATOM 1564 N ILE B 44 0.718 2.901 -2.184 1.00 0.00 N ATOM 1565 CA ILE B 44 1.660 3.946 -1.804 1.00 0.00 C ATOM 1566 C ILE B 44 2.380 3.571 -0.516 1.00 0.00 C ATOM 1567 O ILE B 44 1.752 3.162 0.462 1.00 0.00 O ATOM 1568 CB ILE B 44 0.955 5.303 -1.620 1.00 0.00 C ATOM 1569 CG1 ILE B 44 0.265 5.721 -2.920 1.00 0.00 C ATOM 1570 CG2 ILE B 44 1.954 6.365 -1.177 1.00 0.00 C ATOM 1571 CD1 ILE B 44 -0.530 7.001 -2.801 1.00 0.00 C ATOM 0 H ILE B 44 0.248 2.454 -1.397 1.00 0.00 H new ATOM 0 HA ILE B 44 2.385 4.041 -2.613 1.00 0.00 H new ATOM 0 HB ILE B 44 0.197 5.201 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.019 5.843 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -0.400 4.919 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.440 7.318 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.405 6.068 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.733 6.470 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -0.990 7.234 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.307 6.878 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.133 7.815 -2.509 1.00 0.00 H new ATOM 1583 N PHE B 45 3.702 3.698 -0.525 1.00 0.00 N ATOM 1584 CA PHE B 45 4.512 3.357 0.639 1.00 0.00 C ATOM 1585 C PHE B 45 5.426 4.518 1.021 1.00 0.00 C ATOM 1586 O PHE B 45 5.866 5.280 0.163 1.00 0.00 O ATOM 1587 CB PHE B 45 5.351 2.103 0.357 1.00 0.00 C ATOM 1588 CG PHE B 45 4.549 0.907 -0.083 1.00 0.00 C ATOM 1589 CD1 PHE B 45 3.891 0.904 -1.304 1.00 0.00 C ATOM 1590 CD2 PHE B 45 4.467 -0.220 0.720 1.00 0.00 C ATOM 1591 CE1 PHE B 45 3.165 -0.197 -1.713 1.00 0.00 C ATOM 1592 CE2 PHE B 45 3.742 -1.325 0.313 1.00 0.00 C ATOM 1593 CZ PHE B 45 3.089 -1.312 -0.905 1.00 0.00 C ATOM 0 H PHE B 45 4.236 4.035 -1.326 1.00 0.00 H new ATOM 0 HA PHE B 45 3.839 3.155 1.473 1.00 0.00 H new ATOM 0 HB2 PHE B 45 6.085 2.337 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE B 45 5.907 1.842 1.258 1.00 0.00 H new ATOM 0 HD1 PHE B 45 3.947 1.773 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE B 45 4.975 -0.235 1.673 1.00 0.00 H new ATOM 0 HE1 PHE B 45 2.657 -0.185 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE B 45 3.686 -2.198 0.947 1.00 0.00 H new ATOM 0 HZ PHE B 45 2.520 -2.173 -1.223 1.00 0.00 H new ATOM 1603 N ALA B 46 5.703 4.653 2.315 1.00 0.00 N ATOM 1604 CA ALA B 46 6.564 5.726 2.804 1.00 0.00 C ATOM 1605 C ALA B 46 7.163 5.380 4.164 1.00 0.00 C ATOM 1606 O ALA B 46 6.456 4.944 5.073 1.00 0.00 O ATOM 1607 CB ALA B 46 5.783 7.030 2.887 1.00 0.00 C ATOM 0 H ALA B 46 5.345 4.034 3.043 1.00 0.00 H new ATOM 0 HA ALA B 46 7.385 5.847 2.098 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.436 7.822 3.253 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.411 7.295 1.897 1.00 0.00 H new ATOM 0 HB3 ALA B 46 4.943 6.908 3.570 1.00 0.00 H new ATOM 1613 N GLY B 47 8.472 5.581 4.294 1.00 0.00 N ATOM 1614 CA GLY B 47 9.154 5.290 5.545 1.00 0.00 C ATOM 1615 C GLY B 47 8.693 6.185 6.680 1.00 0.00 C ATOM 1616 O GLY B 47 8.436 7.371 6.476 1.00 0.00 O ATOM 0 H GLY B 47 9.074 5.941 3.554 1.00 0.00 H new ATOM 0 HA2 GLY B 47 8.982 4.248 5.815 1.00 0.00 H new ATOM 0 HA3 GLY B 47 10.228 5.410 5.406 1.00 0.00 H new