USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1179 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot -145:sc= 0.957 USER MOD Set 1.2: B 68 SER OG : rot -145:sc= 0.576 USER MOD Set 2.1: B 49 ASN : amide:sc= -4.96! K(o=-3.8!,f=-3.1) USER MOD Set 2.2: B 51 THR OG1 : rot 71:sc= 1.11 USER MOD Set 3.1: A 73 LYS NZ :NH3+ -145:sc= -0.0499 (180deg=-1.08) USER MOD Set 3.2: B 4 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 68 SER OG : rot -119:sc= 0.425 USER MOD Set 4.2: B 14 TYR OH : rot 17:sc= 2.37 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 144:sc= -0.0601 USER MOD Single : A 21 HIS : no HD1:sc= -2.78 X(o=-2.8,f=-3.3!) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0398) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -77:sc= 0.0343 USER MOD Single : A 38 ASN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.017) USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -1.04 (180deg=-1.96!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.051) USER MOD Single : A 51 THR OG1 : rot 74:sc=-0.00249 USER MOD Single : A 53 THR OG1 : rot 160:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.4) USER MOD Single : A 56 MET CE :methyl -169:sc= -2.17 (180deg=-2.64!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 62 LYS NZ :NH3+ -124:sc= -0.0463 (180deg=-2.38!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -145:sc= -4.53 (180deg=-7.68!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 THR N :NH3+ -171:sc= 0.718 (180deg=0.695) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot 152:sc= -1.62 USER MOD Single : B 21 HIS : no HD1:sc= -2.92! K(o=-2.9!,f=-1.4) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.3!) USER MOD Single : B 31 SER OG : rot 130:sc= -0.703 USER MOD Single : B 38 ASN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD Single : B 40 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.71) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 100:sc= -0.47 USER MOD Single : B 55 ASN : amide:sc= -2.48 K(o=-2.5,f=-1.5) USER MOD Single : B 56 MET CE :methyl -160:sc= -2.12 (180deg=-4.44!) USER MOD Single : B 57 SER OG : rot 180:sc= 0.00591 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 THR OG1 : rot 180:sc= -0.0606 USER MOD Single : B 69 LYS NZ :NH3+ -127:sc=-0.00962 (180deg=-0.187) USER MOD Single : B 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.017) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 MET CE :methyl 155:sc= -1.37 (180deg=-3.04!) USER MOD Single : B 77 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 14.714 -3.090 5.303 1.00 0.00 N ATOM 18 CA LYS A 2 15.304 -1.783 5.592 1.00 0.00 C ATOM 19 C LYS A 2 16.238 -1.331 4.467 1.00 0.00 C ATOM 20 O LYS A 2 17.104 -2.089 4.026 1.00 0.00 O ATOM 21 CB LYS A 2 16.068 -1.825 6.921 1.00 0.00 C ATOM 22 CG LYS A 2 16.988 -3.029 7.067 1.00 0.00 C ATOM 23 CD LYS A 2 17.401 -3.247 8.515 1.00 0.00 C ATOM 24 CE LYS A 2 18.577 -2.363 8.902 1.00 0.00 C ATOM 25 NZ LYS A 2 19.884 -2.981 8.536 1.00 0.00 N ATOM 0 HA LYS A 2 14.491 -1.061 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.660 -0.915 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.350 -1.827 7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.483 -3.920 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.877 -2.885 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.556 -3.036 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.667 -4.293 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.482 -1.396 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.552 -2.176 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.659 -2.347 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.987 -3.892 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.919 -3.136 7.508 1.00 0.00 H new ATOM 39 N VAL A 3 16.052 -0.090 4.014 1.00 0.00 N ATOM 40 CA VAL A 3 16.867 0.478 2.942 1.00 0.00 C ATOM 41 C VAL A 3 17.709 1.646 3.458 1.00 0.00 C ATOM 42 O VAL A 3 17.194 2.537 4.132 1.00 0.00 O ATOM 43 CB VAL A 3 15.989 0.974 1.769 1.00 0.00 C ATOM 44 CG1 VAL A 3 16.850 1.426 0.600 1.00 0.00 C ATOM 45 CG2 VAL A 3 15.009 -0.110 1.331 1.00 0.00 C ATOM 0 H VAL A 3 15.339 0.543 4.376 1.00 0.00 H new ATOM 0 HA VAL A 3 17.523 -0.316 2.585 1.00 0.00 H new ATOM 0 HB VAL A 3 15.414 1.832 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.209 1.770 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.499 2.241 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.459 0.591 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.402 0.261 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.562 -0.992 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.362 -0.375 2.167 1.00 0.00 H new ATOM 55 N THR A 4 19.006 1.635 3.144 1.00 0.00 N ATOM 56 CA THR A 4 19.907 2.699 3.585 1.00 0.00 C ATOM 57 C THR A 4 20.716 3.265 2.418 1.00 0.00 C ATOM 58 O THR A 4 21.418 2.529 1.724 1.00 0.00 O ATOM 59 CB THR A 4 20.849 2.186 4.679 1.00 0.00 C ATOM 60 OG1 THR A 4 20.164 1.329 5.579 1.00 0.00 O ATOM 61 CG2 THR A 4 21.478 3.296 5.495 1.00 0.00 C ATOM 0 H THR A 4 19.453 0.905 2.589 1.00 0.00 H new ATOM 0 HA THR A 4 19.294 3.503 3.993 1.00 0.00 H new ATOM 0 HB THR A 4 21.637 1.650 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 4 20.786 1.013 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 4 22.133 2.865 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 4 22.059 3.945 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 4 20.695 3.878 5.982 1.00 0.00 H new ATOM 69 N LEU A 5 20.613 4.579 2.215 1.00 0.00 N ATOM 70 CA LEU A 5 21.333 5.262 1.139 1.00 0.00 C ATOM 71 C LEU A 5 22.317 6.280 1.707 1.00 0.00 C ATOM 72 O LEU A 5 22.180 6.711 2.854 1.00 0.00 O ATOM 73 CB LEU A 5 20.349 5.971 0.201 1.00 0.00 C ATOM 74 CG LEU A 5 19.592 5.060 -0.771 1.00 0.00 C ATOM 75 CD1 LEU A 5 20.561 4.333 -1.693 1.00 0.00 C ATOM 76 CD2 LEU A 5 18.726 4.064 -0.012 1.00 0.00 C ATOM 0 H LEU A 5 20.034 5.195 2.786 1.00 0.00 H new ATOM 0 HA LEU A 5 21.887 4.510 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 5 19.621 6.511 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 5 20.897 6.715 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 5 18.940 5.683 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 5 20.003 3.692 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 5 21.133 5.062 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 5 21.242 3.724 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.197 3.427 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 5 19.357 3.448 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.003 4.603 0.600 1.00 0.00 H new ATOM 88 N VAL A 6 23.302 6.670 0.899 1.00 0.00 N ATOM 89 CA VAL A 6 24.301 7.646 1.323 1.00 0.00 C ATOM 90 C VAL A 6 24.403 8.796 0.323 1.00 0.00 C ATOM 91 O VAL A 6 25.068 8.677 -0.707 1.00 0.00 O ATOM 92 CB VAL A 6 25.696 7.006 1.496 1.00 0.00 C ATOM 93 CG1 VAL A 6 26.650 7.987 2.164 1.00 0.00 C ATOM 94 CG2 VAL A 6 25.605 5.713 2.293 1.00 0.00 C ATOM 0 H VAL A 6 23.428 6.324 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 6 23.970 8.029 2.289 1.00 0.00 H new ATOM 0 HB VAL A 6 26.087 6.763 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.629 7.521 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.743 8.881 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.261 8.262 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.600 5.281 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.191 5.922 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.959 5.008 1.770 1.00 0.00 H new ATOM 104 N LYS A 7 23.740 9.909 0.635 1.00 0.00 N ATOM 105 CA LYS A 7 23.760 11.085 -0.238 1.00 0.00 C ATOM 106 C LYS A 7 25.162 11.687 -0.317 1.00 0.00 C ATOM 107 O LYS A 7 25.864 11.788 0.692 1.00 0.00 O ATOM 108 CB LYS A 7 22.770 12.143 0.262 1.00 0.00 C ATOM 109 CG LYS A 7 22.690 13.382 -0.618 1.00 0.00 C ATOM 110 CD LYS A 7 22.211 14.595 0.166 1.00 0.00 C ATOM 111 CE LYS A 7 20.694 14.611 0.301 1.00 0.00 C ATOM 112 NZ LYS A 7 20.147 15.999 0.314 1.00 0.00 N ATOM 0 H LYS A 7 23.184 10.022 1.482 1.00 0.00 H new ATOM 0 HA LYS A 7 23.464 10.762 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.779 11.694 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.054 12.444 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.671 13.589 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 7 22.012 13.195 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.665 14.591 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.542 15.506 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.251 14.055 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.407 14.100 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.112 15.963 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.549 16.523 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.398 16.479 -0.574 1.00 0.00 H new ATOM 212 N GLU A 13 20.634 14.971 -4.882 1.00 0.00 N ATOM 213 CA GLU A 13 19.423 14.209 -5.138 1.00 0.00 C ATOM 214 C GLU A 13 19.719 12.712 -5.191 1.00 0.00 C ATOM 215 O GLU A 13 20.710 12.287 -5.786 1.00 0.00 O ATOM 216 CB GLU A 13 18.795 14.661 -6.452 1.00 0.00 C ATOM 217 CG GLU A 13 17.552 15.515 -6.263 1.00 0.00 C ATOM 218 CD GLU A 13 16.861 15.849 -7.572 1.00 0.00 C ATOM 219 OE1 GLU A 13 16.513 14.910 -8.320 1.00 0.00 O ATOM 220 OE2 GLU A 13 16.665 17.051 -7.847 1.00 0.00 O ATOM 0 HA GLU A 13 18.725 14.390 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.532 15.226 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.537 13.783 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.852 14.991 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.826 16.440 -5.756 1.00 0.00 H new ATOM 227 N TYR A 14 18.849 11.922 -4.566 1.00 0.00 N ATOM 228 CA TYR A 14 19.009 10.468 -4.541 1.00 0.00 C ATOM 229 C TYR A 14 18.626 9.837 -5.882 1.00 0.00 C ATOM 230 O TYR A 14 19.086 8.742 -6.210 1.00 0.00 O ATOM 231 CB TYR A 14 18.163 9.857 -3.422 1.00 0.00 C ATOM 232 CG TYR A 14 18.653 10.202 -2.034 1.00 0.00 C ATOM 233 CD1 TYR A 14 18.304 11.406 -1.438 1.00 0.00 C ATOM 234 CD2 TYR A 14 19.461 9.327 -1.321 1.00 0.00 C ATOM 235 CE1 TYR A 14 18.747 11.729 -0.172 1.00 0.00 C ATOM 236 CE2 TYR A 14 19.908 9.641 -0.055 1.00 0.00 C ATOM 237 CZ TYR A 14 19.547 10.844 0.516 1.00 0.00 C ATOM 238 OH TYR A 14 19.986 11.166 1.780 1.00 0.00 O ATOM 0 H TYR A 14 18.026 12.263 -4.070 1.00 0.00 H new ATOM 0 HA TYR A 14 20.062 10.258 -4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.133 10.198 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 14 18.154 8.773 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.675 12.101 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 14 19.744 8.384 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.468 12.671 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 14 20.537 8.950 0.486 1.00 0.00 H new ATOM 0 HH TYR A 14 20.889 10.810 1.913 1.00 0.00 H new ATOM 248 N GLY A 15 17.775 10.526 -6.647 1.00 0.00 N ATOM 249 CA GLY A 15 17.341 10.008 -7.933 1.00 0.00 C ATOM 250 C GLY A 15 16.233 8.975 -7.808 1.00 0.00 C ATOM 251 O GLY A 15 16.129 8.070 -8.638 1.00 0.00 O ATOM 0 H GLY A 15 17.381 11.433 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.993 10.834 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.193 9.561 -8.446 1.00 0.00 H new ATOM 255 N LEU A 16 15.402 9.109 -6.772 1.00 0.00 N ATOM 256 CA LEU A 16 14.297 8.180 -6.549 1.00 0.00 C ATOM 257 C LEU A 16 12.959 8.917 -6.559 1.00 0.00 C ATOM 258 O LEU A 16 12.732 9.826 -5.757 1.00 0.00 O ATOM 259 CB LEU A 16 14.482 7.422 -5.226 1.00 0.00 C ATOM 260 CG LEU A 16 14.633 8.297 -3.974 1.00 0.00 C ATOM 261 CD1 LEU A 16 13.305 8.421 -3.242 1.00 0.00 C ATOM 262 CD2 LEU A 16 15.702 7.729 -3.050 1.00 0.00 C ATOM 0 H LEU A 16 15.475 9.851 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 16 14.296 7.455 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.627 6.761 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.364 6.788 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 16 14.944 9.293 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.434 9.045 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.567 8.876 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.962 7.431 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.795 8.363 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.421 6.721 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.657 7.696 -3.575 1.00 0.00 H new ATOM 274 N ARG A 17 12.077 8.516 -7.474 1.00 0.00 N ATOM 275 CA ARG A 17 10.757 9.129 -7.601 1.00 0.00 C ATOM 276 C ARG A 17 9.849 8.700 -6.454 1.00 0.00 C ATOM 277 O ARG A 17 9.621 7.510 -6.241 1.00 0.00 O ATOM 278 CB ARG A 17 10.120 8.755 -8.943 1.00 0.00 C ATOM 279 CG ARG A 17 9.737 9.957 -9.792 1.00 0.00 C ATOM 280 CD ARG A 17 8.413 10.560 -9.345 1.00 0.00 C ATOM 281 NE ARG A 17 7.487 10.753 -10.463 1.00 0.00 N ATOM 282 CZ ARG A 17 6.354 11.458 -10.385 1.00 0.00 C ATOM 283 NH1 ARG A 17 5.993 12.031 -9.238 1.00 0.00 N ATOM 284 NH2 ARG A 17 5.579 11.588 -11.455 1.00 0.00 N ATOM 0 H ARG A 17 12.255 7.765 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 17 10.881 10.211 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.816 8.131 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.230 8.153 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.521 10.712 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.666 9.657 -10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.952 9.909 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.598 11.518 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 17 7.721 10.322 -11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.583 11.933 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.127 12.567 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.848 11.150 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.714 12.126 -11.396 1.00 0.00 H new ATOM 298 N LEU A 18 9.337 9.680 -5.714 1.00 0.00 N ATOM 299 CA LEU A 18 8.460 9.411 -4.581 1.00 0.00 C ATOM 300 C LEU A 18 6.992 9.631 -4.950 1.00 0.00 C ATOM 301 O LEU A 18 6.643 10.627 -5.587 1.00 0.00 O ATOM 302 CB LEU A 18 8.850 10.305 -3.398 1.00 0.00 C ATOM 303 CG LEU A 18 8.504 9.759 -2.010 1.00 0.00 C ATOM 304 CD1 LEU A 18 7.002 9.807 -1.777 1.00 0.00 C ATOM 305 CD2 LEU A 18 9.033 8.339 -1.842 1.00 0.00 C ATOM 0 H LEU A 18 9.516 10.670 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 18 8.579 8.365 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.924 10.484 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.361 11.271 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 18 8.986 10.390 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.775 9.415 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.656 10.838 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.497 9.202 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.776 7.970 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.585 7.692 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.117 8.338 -1.960 1.00 0.00 H new ATOM 317 N ALA A 19 6.140 8.694 -4.534 1.00 0.00 N ATOM 318 CA ALA A 19 4.705 8.767 -4.800 1.00 0.00 C ATOM 319 C ALA A 19 3.905 8.430 -3.541 1.00 0.00 C ATOM 320 O ALA A 19 4.472 7.992 -2.538 1.00 0.00 O ATOM 321 CB ALA A 19 4.335 7.831 -5.939 1.00 0.00 C ATOM 0 H ALA A 19 6.423 7.868 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 19 4.457 9.787 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.263 7.894 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.880 8.119 -6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.596 6.808 -5.669 1.00 0.00 H new ATOM 327 N SER A 20 2.587 8.638 -3.588 1.00 0.00 N ATOM 328 CA SER A 20 1.732 8.354 -2.435 1.00 0.00 C ATOM 329 C SER A 20 0.464 7.598 -2.836 1.00 0.00 C ATOM 330 O SER A 20 -0.037 7.747 -3.953 1.00 0.00 O ATOM 331 CB SER A 20 1.360 9.654 -1.715 1.00 0.00 C ATOM 332 OG SER A 20 0.734 10.572 -2.597 1.00 0.00 O ATOM 0 H SER A 20 2.093 8.999 -4.404 1.00 0.00 H new ATOM 0 HA SER A 20 2.300 7.715 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.692 9.433 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.257 10.107 -1.292 1.00 0.00 H new ATOM 0 HG SER A 20 0.033 11.061 -2.117 1.00 0.00 H new ATOM 338 N HIS A 21 -0.045 6.788 -1.907 1.00 0.00 N ATOM 339 CA HIS A 21 -1.255 5.999 -2.135 1.00 0.00 C ATOM 340 C HIS A 21 -2.361 6.402 -1.157 1.00 0.00 C ATOM 341 O HIS A 21 -2.151 7.252 -0.288 1.00 0.00 O ATOM 342 CB HIS A 21 -0.941 4.509 -1.972 1.00 0.00 C ATOM 343 CG HIS A 21 -1.025 3.730 -3.244 1.00 0.00 C ATOM 344 ND1 HIS A 21 -1.825 2.621 -3.394 1.00 0.00 N ATOM 345 CD2 HIS A 21 -0.398 3.903 -4.429 1.00 0.00 C ATOM 346 CE1 HIS A 21 -1.685 2.142 -4.616 1.00 0.00 C ATOM 347 NE2 HIS A 21 -0.824 2.902 -5.267 1.00 0.00 N ATOM 0 H HIS A 21 0.366 6.661 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.604 6.190 -3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.061 4.402 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.633 4.079 -1.248 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.307 4.684 -4.672 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.190 1.275 -5.016 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.525 2.768 -6.233 1.00 0.00 H new ATOM 356 N ILE A 22 -3.537 5.785 -1.297 1.00 0.00 N ATOM 357 CA ILE A 22 -4.671 6.081 -0.421 1.00 0.00 C ATOM 358 C ILE A 22 -5.335 4.797 0.079 1.00 0.00 C ATOM 359 O ILE A 22 -5.526 3.849 -0.685 1.00 0.00 O ATOM 360 CB ILE A 22 -5.727 6.952 -1.141 1.00 0.00 C ATOM 361 CG1 ILE A 22 -5.080 8.214 -1.719 1.00 0.00 C ATOM 362 CG2 ILE A 22 -6.863 7.322 -0.195 1.00 0.00 C ATOM 363 CD1 ILE A 22 -4.538 9.164 -0.667 1.00 0.00 C ATOM 0 H ILE A 22 -3.728 5.079 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.276 6.634 0.431 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.144 6.369 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.267 7.922 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.815 8.742 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.593 7.934 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.346 6.414 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.464 7.883 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.096 10.033 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.350 9.487 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.778 8.655 -0.074 1.00 0.00 H new ATOM 375 N PHE A 23 -5.682 4.772 1.368 1.00 0.00 N ATOM 376 CA PHE A 23 -6.324 3.605 1.973 1.00 0.00 C ATOM 377 C PHE A 23 -7.260 4.014 3.116 1.00 0.00 C ATOM 378 O PHE A 23 -7.408 5.202 3.417 1.00 0.00 O ATOM 379 CB PHE A 23 -5.264 2.624 2.488 1.00 0.00 C ATOM 380 CG PHE A 23 -4.520 3.120 3.697 1.00 0.00 C ATOM 381 CD1 PHE A 23 -3.687 4.223 3.607 1.00 0.00 C ATOM 382 CD2 PHE A 23 -4.661 2.489 4.924 1.00 0.00 C ATOM 383 CE1 PHE A 23 -3.008 4.686 4.715 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.983 2.949 6.036 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.156 4.051 5.931 1.00 0.00 C ATOM 0 H PHE A 23 -5.529 5.548 2.012 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.922 3.116 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.746 1.677 2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.550 2.422 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.568 4.726 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.308 1.629 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.360 5.546 4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.099 2.448 6.986 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.626 4.415 6.799 1.00 0.00 H new ATOM 395 N VAL A 24 -7.885 3.022 3.753 1.00 0.00 N ATOM 396 CA VAL A 24 -8.801 3.273 4.865 1.00 0.00 C ATOM 397 C VAL A 24 -8.174 2.852 6.194 1.00 0.00 C ATOM 398 O VAL A 24 -7.924 1.668 6.423 1.00 0.00 O ATOM 399 CB VAL A 24 -10.141 2.524 4.680 1.00 0.00 C ATOM 400 CG1 VAL A 24 -11.140 2.926 5.757 1.00 0.00 C ATOM 401 CG2 VAL A 24 -10.716 2.781 3.294 1.00 0.00 C ATOM 0 H VAL A 24 -7.773 2.036 3.517 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.997 4.345 4.877 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.947 1.456 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.075 2.386 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.734 2.682 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.327 3.998 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.659 2.244 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.890 3.849 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.012 2.434 2.538 1.00 0.00 H new ATOM 411 N LYS A 25 -7.933 3.830 7.068 1.00 0.00 N ATOM 412 CA LYS A 25 -7.342 3.562 8.380 1.00 0.00 C ATOM 413 C LYS A 25 -8.281 2.723 9.252 1.00 0.00 C ATOM 414 O LYS A 25 -7.835 1.825 9.968 1.00 0.00 O ATOM 415 CB LYS A 25 -7.005 4.878 9.092 1.00 0.00 C ATOM 416 CG LYS A 25 -6.062 4.714 10.276 1.00 0.00 C ATOM 417 CD LYS A 25 -4.604 4.731 9.841 1.00 0.00 C ATOM 418 CE LYS A 25 -3.664 4.916 11.027 1.00 0.00 C ATOM 419 NZ LYS A 25 -3.666 6.318 11.533 1.00 0.00 N ATOM 0 H LYS A 25 -8.138 4.814 6.892 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.425 2.994 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.555 5.564 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.930 5.340 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.237 5.515 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.279 3.776 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.366 3.798 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.448 5.537 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.958 4.241 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.652 4.639 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.929 6.426 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.476 6.971 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.595 6.536 11.947 1.00 0.00 H new ATOM 433 N GLU A 26 -9.581 3.026 9.188 1.00 0.00 N ATOM 434 CA GLU A 26 -10.586 2.304 9.973 1.00 0.00 C ATOM 435 C GLU A 26 -11.997 2.767 9.618 1.00 0.00 C ATOM 436 O GLU A 26 -12.179 3.687 8.818 1.00 0.00 O ATOM 437 CB GLU A 26 -10.334 2.501 11.473 1.00 0.00 C ATOM 438 CG GLU A 26 -10.252 3.960 11.892 1.00 0.00 C ATOM 439 CD GLU A 26 -9.806 4.135 13.330 1.00 0.00 C ATOM 440 OE1 GLU A 26 -10.648 3.972 14.238 1.00 0.00 O ATOM 441 OE2 GLU A 26 -8.614 4.438 13.547 1.00 0.00 O ATOM 0 H GLU A 26 -9.962 3.767 8.600 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.501 1.244 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.133 2.015 12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.404 2.001 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.557 4.483 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.228 4.426 11.760 1.00 0.00 H new ATOM 448 N ILE A 27 -12.994 2.122 10.220 1.00 0.00 N ATOM 449 CA ILE A 27 -14.393 2.467 9.975 1.00 0.00 C ATOM 450 C ILE A 27 -15.155 2.630 11.290 1.00 0.00 C ATOM 451 O ILE A 27 -15.026 1.804 12.197 1.00 0.00 O ATOM 452 CB ILE A 27 -15.105 1.401 9.112 1.00 0.00 C ATOM 453 CG1 ILE A 27 -14.285 1.087 7.857 1.00 0.00 C ATOM 454 CG2 ILE A 27 -16.502 1.871 8.728 1.00 0.00 C ATOM 455 CD1 ILE A 27 -14.030 -0.389 7.657 1.00 0.00 C ATOM 0 H ILE A 27 -12.859 1.357 10.881 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.391 3.413 9.433 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.196 0.489 9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.807 1.479 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.329 1.608 7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.988 1.108 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.088 2.045 9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.430 2.797 8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.444 -0.537 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.481 -0.782 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.981 -0.913 7.564 1.00 0.00 H new ATOM 467 N SER A 28 -15.949 3.696 11.385 1.00 0.00 N ATOM 468 CA SER A 28 -16.735 3.966 12.587 1.00 0.00 C ATOM 469 C SER A 28 -17.943 3.036 12.677 1.00 0.00 C ATOM 470 O SER A 28 -18.496 2.618 11.658 1.00 0.00 O ATOM 471 CB SER A 28 -17.199 5.427 12.605 1.00 0.00 C ATOM 472 OG SER A 28 -16.252 6.253 13.260 1.00 0.00 O ATOM 0 H SER A 28 -16.065 4.387 10.643 1.00 0.00 H new ATOM 0 HA SER A 28 -16.096 3.783 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.348 5.778 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.162 5.500 13.111 1.00 0.00 H new ATOM 0 HG SER A 28 -16.569 7.180 13.257 1.00 0.00 H new ATOM 478 N GLN A 29 -18.346 2.718 13.907 1.00 0.00 N ATOM 479 CA GLN A 29 -19.490 1.839 14.142 1.00 0.00 C ATOM 480 C GLN A 29 -20.805 2.597 13.972 1.00 0.00 C ATOM 481 O GLN A 29 -20.860 3.810 14.172 1.00 0.00 O ATOM 482 CB GLN A 29 -19.415 1.230 15.545 1.00 0.00 C ATOM 483 CG GLN A 29 -19.538 -0.285 15.562 1.00 0.00 C ATOM 484 CD GLN A 29 -18.268 -0.980 15.111 1.00 0.00 C ATOM 485 OE1 GLN A 29 -17.290 -1.054 15.855 1.00 0.00 O ATOM 486 NE2 GLN A 29 -18.276 -1.496 13.886 1.00 0.00 N ATOM 0 H GLN A 29 -17.896 3.057 14.757 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.456 1.037 13.404 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -18.468 1.514 16.004 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -20.208 1.657 16.159 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.789 -0.614 16.571 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -20.362 -0.586 14.915 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -19.108 -1.412 13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.450 -1.976 13.529 1.00 0.00 H new ATOM 495 N ASP A 30 -21.860 1.869 13.598 1.00 0.00 N ATOM 496 CA ASP A 30 -23.184 2.461 13.389 1.00 0.00 C ATOM 497 C ASP A 30 -23.151 3.544 12.305 1.00 0.00 C ATOM 498 O ASP A 30 -23.958 4.478 12.323 1.00 0.00 O ATOM 499 CB ASP A 30 -23.726 3.047 14.700 1.00 0.00 C ATOM 500 CG ASP A 30 -24.471 2.026 15.542 1.00 0.00 C ATOM 501 OD1 ASP A 30 -25.165 1.162 14.961 1.00 0.00 O ATOM 502 OD2 ASP A 30 -24.363 2.092 16.783 1.00 0.00 O ATOM 0 H ASP A 30 -21.822 0.863 13.433 1.00 0.00 H new ATOM 0 HA ASP A 30 -23.849 1.665 13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.897 3.453 15.280 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -24.393 3.878 14.472 1.00 0.00 H new ATOM 507 N SER A 31 -22.220 3.413 11.359 1.00 0.00 N ATOM 508 CA SER A 31 -22.089 4.376 10.274 1.00 0.00 C ATOM 509 C SER A 31 -22.584 3.783 8.956 1.00 0.00 C ATOM 510 O SER A 31 -22.939 2.602 8.888 1.00 0.00 O ATOM 511 CB SER A 31 -20.628 4.824 10.140 1.00 0.00 C ATOM 512 OG SER A 31 -20.390 6.021 10.864 1.00 0.00 O ATOM 0 H SER A 31 -21.547 2.647 11.326 1.00 0.00 H new ATOM 0 HA SER A 31 -22.706 5.243 10.509 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.969 4.037 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.387 4.978 9.088 1.00 0.00 H new ATOM 0 HG SER A 31 -20.741 6.784 10.359 1.00 0.00 H new ATOM 518 N LEU A 32 -22.605 4.610 7.909 1.00 0.00 N ATOM 519 CA LEU A 32 -23.056 4.171 6.587 1.00 0.00 C ATOM 520 C LEU A 32 -22.226 2.989 6.080 1.00 0.00 C ATOM 521 O LEU A 32 -22.755 2.097 5.419 1.00 0.00 O ATOM 522 CB LEU A 32 -22.982 5.328 5.587 1.00 0.00 C ATOM 523 CG LEU A 32 -23.869 6.532 5.918 1.00 0.00 C ATOM 524 CD1 LEU A 32 -23.380 7.768 5.182 1.00 0.00 C ATOM 525 CD2 LEU A 32 -25.319 6.238 5.565 1.00 0.00 C ATOM 0 H LEU A 32 -22.315 5.587 7.951 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.092 3.844 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.948 5.666 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -23.258 4.954 4.601 1.00 0.00 H new ATOM 0 HG LEU A 32 -23.809 6.723 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -24.021 8.615 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -22.356 7.989 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -23.412 7.588 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -25.935 7.104 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -25.398 6.023 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -25.665 5.376 6.136 1.00 0.00 H new ATOM 537 N ALA A 33 -20.928 2.988 6.398 1.00 0.00 N ATOM 538 CA ALA A 33 -20.035 1.908 5.979 1.00 0.00 C ATOM 539 C ALA A 33 -20.419 0.583 6.639 1.00 0.00 C ATOM 540 O ALA A 33 -20.439 -0.460 5.984 1.00 0.00 O ATOM 541 CB ALA A 33 -18.589 2.257 6.299 1.00 0.00 C ATOM 0 H ALA A 33 -20.475 3.722 6.943 1.00 0.00 H new ATOM 0 HA ALA A 33 -20.138 1.790 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.939 1.442 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.310 3.170 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.480 2.409 7.373 1.00 0.00 H new ATOM 547 N ALA A 34 -20.728 0.635 7.937 1.00 0.00 N ATOM 548 CA ALA A 34 -21.119 -0.563 8.683 1.00 0.00 C ATOM 549 C ALA A 34 -22.384 -1.189 8.098 1.00 0.00 C ATOM 550 O ALA A 34 -22.493 -2.412 8.006 1.00 0.00 O ATOM 551 CB ALA A 34 -21.321 -0.230 10.154 1.00 0.00 C ATOM 0 H ALA A 34 -20.715 1.491 8.491 1.00 0.00 H new ATOM 0 HA ALA A 34 -20.313 -1.292 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.611 -1.131 10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -20.392 0.159 10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.105 0.521 10.253 1.00 0.00 H new ATOM 557 N ARG A 35 -23.334 -0.343 7.698 1.00 0.00 N ATOM 558 CA ARG A 35 -24.587 -0.816 7.113 1.00 0.00 C ATOM 559 C ARG A 35 -24.371 -1.308 5.684 1.00 0.00 C ATOM 560 O ARG A 35 -24.892 -2.355 5.295 1.00 0.00 O ATOM 561 CB ARG A 35 -25.635 0.299 7.125 1.00 0.00 C ATOM 562 CG ARG A 35 -26.187 0.602 8.509 1.00 0.00 C ATOM 563 CD ARG A 35 -27.703 0.498 8.539 1.00 0.00 C ATOM 564 NE ARG A 35 -28.158 -0.739 9.179 1.00 0.00 N ATOM 565 CZ ARG A 35 -29.382 -1.254 9.026 1.00 0.00 C ATOM 566 NH1 ARG A 35 -30.279 -0.647 8.254 1.00 0.00 N ATOM 567 NH2 ARG A 35 -29.706 -2.384 9.644 1.00 0.00 N ATOM 0 H ARG A 35 -23.259 0.672 7.769 1.00 0.00 H new ATOM 0 HA ARG A 35 -24.946 -1.650 7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.193 1.206 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -26.458 0.019 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -25.759 -0.092 9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -25.884 1.604 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -28.114 1.355 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -28.089 0.542 7.521 1.00 0.00 H new ATOM 0 HE ARG A 35 -27.500 -1.238 9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -30.035 0.219 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -31.211 -1.047 8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -29.021 -2.857 10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -30.639 -2.779 9.529 1.00 0.00 H new ATOM 581 N ASP A 36 -23.596 -0.547 4.906 1.00 0.00 N ATOM 582 CA ASP A 36 -23.307 -0.907 3.518 1.00 0.00 C ATOM 583 C ASP A 36 -22.511 -2.210 3.434 1.00 0.00 C ATOM 584 O ASP A 36 -22.717 -3.011 2.521 1.00 0.00 O ATOM 585 CB ASP A 36 -22.536 0.221 2.828 1.00 0.00 C ATOM 586 CG ASP A 36 -22.632 0.154 1.314 1.00 0.00 C ATOM 587 OD1 ASP A 36 -23.760 0.029 0.790 1.00 0.00 O ATOM 588 OD2 ASP A 36 -21.577 0.233 0.651 1.00 0.00 O ATOM 0 H ASP A 36 -23.159 0.321 5.215 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.258 -1.058 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.921 1.181 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.488 0.174 3.124 1.00 0.00 H new ATOM 593 N GLY A 37 -21.600 -2.413 4.389 1.00 0.00 N ATOM 594 CA GLY A 37 -20.788 -3.618 4.405 1.00 0.00 C ATOM 595 C GLY A 37 -19.878 -3.730 3.196 1.00 0.00 C ATOM 596 O GLY A 37 -19.789 -4.792 2.578 1.00 0.00 O ATOM 0 H GLY A 37 -21.412 -1.762 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.183 -3.631 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.441 -4.490 4.445 1.00 0.00 H new ATOM 600 N ASN A 38 -19.201 -2.632 2.858 1.00 0.00 N ATOM 601 CA ASN A 38 -18.293 -2.613 1.711 1.00 0.00 C ATOM 602 C ASN A 38 -16.898 -2.140 2.116 1.00 0.00 C ATOM 603 O ASN A 38 -15.898 -2.757 1.747 1.00 0.00 O ATOM 604 CB ASN A 38 -18.851 -1.717 0.602 1.00 0.00 C ATOM 605 CG ASN A 38 -19.740 -2.480 -0.361 1.00 0.00 C ATOM 606 OD1 ASN A 38 -19.275 -2.993 -1.379 1.00 0.00 O ATOM 607 ND2 ASN A 38 -21.028 -2.560 -0.044 1.00 0.00 N ATOM 0 H ASN A 38 -19.264 -1.747 3.361 1.00 0.00 H new ATOM 0 HA ASN A 38 -18.210 -3.633 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.419 -0.901 1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -18.025 -1.267 0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.673 -3.061 -0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.371 -2.120 0.810 1.00 0.00 H new ATOM 614 N ILE A 39 -16.836 -1.047 2.879 1.00 0.00 N ATOM 615 CA ILE A 39 -15.558 -0.499 3.332 1.00 0.00 C ATOM 616 C ILE A 39 -14.934 -1.378 4.415 1.00 0.00 C ATOM 617 O ILE A 39 -15.620 -1.826 5.337 1.00 0.00 O ATOM 618 CB ILE A 39 -15.716 0.938 3.879 1.00 0.00 C ATOM 619 CG1 ILE A 39 -16.514 1.806 2.900 1.00 0.00 C ATOM 620 CG2 ILE A 39 -14.351 1.563 4.156 1.00 0.00 C ATOM 621 CD1 ILE A 39 -15.907 1.878 1.513 1.00 0.00 C ATOM 0 H ILE A 39 -17.654 -0.526 3.195 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.902 -0.476 2.462 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.267 0.885 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.528 1.413 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.593 2.815 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.485 2.574 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.819 0.962 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.773 1.599 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.527 2.510 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.904 2.300 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.853 0.876 1.087 1.00 0.00 H new ATOM 633 N GLN A 40 -13.627 -1.611 4.295 1.00 0.00 N ATOM 634 CA GLN A 40 -12.888 -2.427 5.259 1.00 0.00 C ATOM 635 C GLN A 40 -11.564 -1.758 5.625 1.00 0.00 C ATOM 636 O GLN A 40 -10.903 -1.169 4.769 1.00 0.00 O ATOM 637 CB GLN A 40 -12.628 -3.822 4.683 1.00 0.00 C ATOM 638 CG GLN A 40 -12.514 -4.913 5.738 1.00 0.00 C ATOM 639 CD GLN A 40 -11.168 -5.615 5.709 1.00 0.00 C ATOM 640 OE1 GLN A 40 -10.781 -6.197 4.693 1.00 0.00 O ATOM 641 NE2 GLN A 40 -10.446 -5.570 6.825 1.00 0.00 N ATOM 0 H GLN A 40 -13.055 -1.244 3.535 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.491 -2.523 6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.435 -4.077 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.708 -3.798 4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.671 -4.477 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.306 -5.646 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.803 -5.078 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.535 -6.028 6.862 1.00 0.00 H new ATOM 650 N GLU A 41 -11.183 -1.849 6.901 1.00 0.00 N ATOM 651 CA GLU A 41 -9.937 -1.249 7.379 1.00 0.00 C ATOM 652 C GLU A 41 -8.728 -1.870 6.682 1.00 0.00 C ATOM 653 O GLU A 41 -8.582 -3.094 6.644 1.00 0.00 O ATOM 654 CB GLU A 41 -9.801 -1.417 8.898 1.00 0.00 C ATOM 655 CG GLU A 41 -9.845 -2.871 9.362 1.00 0.00 C ATOM 656 CD GLU A 41 -8.477 -3.445 9.703 1.00 0.00 C ATOM 657 OE1 GLU A 41 -7.449 -2.832 9.335 1.00 0.00 O ATOM 658 OE2 GLU A 41 -8.433 -4.518 10.340 1.00 0.00 O ATOM 0 H GLU A 41 -11.720 -2.332 7.621 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.970 -0.186 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.861 -0.970 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.602 -0.864 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.489 -2.944 10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.300 -3.479 8.580 1.00 0.00 H new ATOM 665 N GLY A 42 -7.870 -1.020 6.123 1.00 0.00 N ATOM 666 CA GLY A 42 -6.692 -1.504 5.428 1.00 0.00 C ATOM 667 C GLY A 42 -6.853 -1.494 3.917 1.00 0.00 C ATOM 668 O GLY A 42 -5.862 -1.474 3.186 1.00 0.00 O ATOM 0 H GLY A 42 -7.971 -0.005 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.836 -0.887 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.472 -2.519 5.759 1.00 0.00 H new ATOM 672 N ASP A 43 -8.106 -1.509 3.450 1.00 0.00 N ATOM 673 CA ASP A 43 -8.398 -1.503 2.020 1.00 0.00 C ATOM 674 C ASP A 43 -7.782 -0.283 1.337 1.00 0.00 C ATOM 675 O ASP A 43 -7.806 0.825 1.880 1.00 0.00 O ATOM 676 CB ASP A 43 -9.912 -1.527 1.785 1.00 0.00 C ATOM 677 CG ASP A 43 -10.454 -2.936 1.632 1.00 0.00 C ATOM 678 OD1 ASP A 43 -10.096 -3.807 2.456 1.00 0.00 O ATOM 679 OD2 ASP A 43 -11.237 -3.173 0.688 1.00 0.00 O ATOM 0 H ASP A 43 -8.933 -1.525 4.046 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.955 -2.399 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.414 -1.037 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.147 -0.952 0.889 1.00 0.00 H new ATOM 684 N VAL A 44 -7.224 -0.501 0.148 1.00 0.00 N ATOM 685 CA VAL A 44 -6.588 0.569 -0.616 1.00 0.00 C ATOM 686 C VAL A 44 -7.565 1.194 -1.613 1.00 0.00 C ATOM 687 O VAL A 44 -8.072 0.514 -2.505 1.00 0.00 O ATOM 688 CB VAL A 44 -5.351 0.050 -1.382 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.595 1.202 -2.025 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.439 -0.745 -0.457 1.00 0.00 C ATOM 0 H VAL A 44 -7.200 -1.413 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.274 1.327 0.101 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.695 -0.615 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.728 0.815 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.250 1.722 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.265 1.897 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.574 -1.101 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.104 -0.107 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.985 -1.597 -0.052 1.00 0.00 H new ATOM 700 N VAL A 45 -7.815 2.494 -1.458 1.00 0.00 N ATOM 701 CA VAL A 45 -8.723 3.218 -2.345 1.00 0.00 C ATOM 702 C VAL A 45 -7.962 3.845 -3.514 1.00 0.00 C ATOM 703 O VAL A 45 -7.138 4.741 -3.318 1.00 0.00 O ATOM 704 CB VAL A 45 -9.488 4.330 -1.593 1.00 0.00 C ATOM 705 CG1 VAL A 45 -10.570 4.930 -2.479 1.00 0.00 C ATOM 706 CG2 VAL A 45 -10.088 3.798 -0.298 1.00 0.00 C ATOM 0 H VAL A 45 -7.400 3.068 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.440 2.489 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.777 5.116 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.097 5.711 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.114 5.358 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.275 4.152 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.621 4.600 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.781 2.988 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.291 3.425 0.346 1.00 0.00 H new ATOM 716 N LEU A 46 -8.247 3.372 -4.726 1.00 0.00 N ATOM 717 CA LEU A 46 -7.593 3.890 -5.926 1.00 0.00 C ATOM 718 C LEU A 46 -8.287 5.161 -6.424 1.00 0.00 C ATOM 719 O LEU A 46 -7.627 6.153 -6.743 1.00 0.00 O ATOM 720 CB LEU A 46 -7.587 2.829 -7.030 1.00 0.00 C ATOM 721 CG LEU A 46 -6.233 2.159 -7.286 1.00 0.00 C ATOM 722 CD1 LEU A 46 -5.889 1.193 -6.159 1.00 0.00 C ATOM 723 CD2 LEU A 46 -6.242 1.437 -8.626 1.00 0.00 C ATOM 0 H LEU A 46 -8.926 2.632 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.564 4.139 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.313 2.057 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.926 3.291 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.467 2.934 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.924 0.728 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.840 1.737 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.657 0.422 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.273 0.967 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.020 0.674 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.439 2.153 -9.424 1.00 0.00 H new ATOM 735 N LYS A 47 -9.620 5.120 -6.492 1.00 0.00 N ATOM 736 CA LYS A 47 -10.404 6.267 -6.953 1.00 0.00 C ATOM 737 C LYS A 47 -11.550 6.578 -5.994 1.00 0.00 C ATOM 738 O LYS A 47 -11.997 5.711 -5.238 1.00 0.00 O ATOM 739 CB LYS A 47 -10.968 6.004 -8.351 1.00 0.00 C ATOM 740 CG LYS A 47 -9.909 5.687 -9.393 1.00 0.00 C ATOM 741 CD LYS A 47 -9.980 4.233 -9.836 1.00 0.00 C ATOM 742 CE LYS A 47 -9.176 3.993 -11.106 1.00 0.00 C ATOM 743 NZ LYS A 47 -7.770 3.595 -10.814 1.00 0.00 N ATOM 0 H LYS A 47 -10.178 4.306 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.736 7.127 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.671 5.173 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.532 6.879 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.041 6.338 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.921 5.896 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.603 3.591 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.020 3.954 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.657 3.214 -11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.177 4.899 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.143 3.965 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.483 3.984 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.701 2.558 -10.788 1.00 0.00 H new ATOM 757 N ILE A 48 -12.024 7.824 -6.038 1.00 0.00 N ATOM 758 CA ILE A 48 -13.123 8.268 -5.188 1.00 0.00 C ATOM 759 C ILE A 48 -14.083 9.159 -5.973 1.00 0.00 C ATOM 760 O ILE A 48 -13.682 10.190 -6.517 1.00 0.00 O ATOM 761 CB ILE A 48 -12.611 9.041 -3.955 1.00 0.00 C ATOM 762 CG1 ILE A 48 -11.486 8.262 -3.266 1.00 0.00 C ATOM 763 CG2 ILE A 48 -13.752 9.312 -2.980 1.00 0.00 C ATOM 764 CD1 ILE A 48 -10.851 9.003 -2.110 1.00 0.00 C ATOM 0 H ILE A 48 -11.659 8.546 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.646 7.374 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.213 9.999 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -11.882 7.313 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.717 8.026 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.371 9.858 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.520 9.906 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.181 8.366 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.064 8.389 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.424 9.939 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.607 9.215 -1.354 1.00 0.00 H new ATOM 776 N ASN A 49 -15.348 8.743 -6.033 1.00 0.00 N ATOM 777 CA ASN A 49 -16.381 9.485 -6.756 1.00 0.00 C ATOM 778 C ASN A 49 -16.011 9.655 -8.235 1.00 0.00 C ATOM 779 O ASN A 49 -16.366 10.656 -8.863 1.00 0.00 O ATOM 780 CB ASN A 49 -16.616 10.853 -6.103 1.00 0.00 C ATOM 781 CG ASN A 49 -18.086 11.240 -6.090 1.00 0.00 C ATOM 782 OD1 ASN A 49 -18.784 11.103 -7.095 1.00 0.00 O ATOM 783 ND2 ASN A 49 -18.567 11.728 -4.951 1.00 0.00 N ATOM 0 H ASN A 49 -15.684 7.890 -5.586 1.00 0.00 H new ATOM 0 HA ASN A 49 -17.305 8.909 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.238 10.835 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.047 11.612 -6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.547 12.004 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.956 11.826 -4.140 1.00 0.00 H new ATOM 790 N GLY A 50 -15.300 8.667 -8.788 1.00 0.00 N ATOM 791 CA GLY A 50 -14.899 8.724 -10.184 1.00 0.00 C ATOM 792 C GLY A 50 -13.670 9.589 -10.416 1.00 0.00 C ATOM 793 O GLY A 50 -13.564 10.255 -11.446 1.00 0.00 O ATOM 0 H GLY A 50 -14.996 7.830 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.697 7.714 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.726 9.112 -10.778 1.00 0.00 H new ATOM 797 N THR A 51 -12.740 9.586 -9.457 1.00 0.00 N ATOM 798 CA THR A 51 -11.519 10.384 -9.569 1.00 0.00 C ATOM 799 C THR A 51 -10.372 9.726 -8.809 1.00 0.00 C ATOM 800 O THR A 51 -10.497 9.431 -7.618 1.00 0.00 O ATOM 801 CB THR A 51 -11.747 11.809 -9.036 1.00 0.00 C ATOM 802 OG1 THR A 51 -13.130 12.126 -8.978 1.00 0.00 O ATOM 803 CG2 THR A 51 -11.074 12.875 -9.874 1.00 0.00 C ATOM 0 H THR A 51 -12.810 9.041 -8.597 1.00 0.00 H new ATOM 0 HA THR A 51 -11.255 10.442 -10.625 1.00 0.00 H new ATOM 0 HB THR A 51 -11.305 11.808 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.545 11.645 -8.232 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.274 13.856 -9.444 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.998 12.699 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.464 12.838 -10.891 1.00 0.00 H new ATOM 811 N VAL A 52 -9.255 9.502 -9.501 1.00 0.00 N ATOM 812 CA VAL A 52 -8.080 8.880 -8.888 1.00 0.00 C ATOM 813 C VAL A 52 -7.464 9.807 -7.842 1.00 0.00 C ATOM 814 O VAL A 52 -7.351 11.013 -8.067 1.00 0.00 O ATOM 815 CB VAL A 52 -7.002 8.521 -9.937 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.907 7.669 -9.308 1.00 0.00 C ATOM 817 CG2 VAL A 52 -7.619 7.802 -11.128 1.00 0.00 C ATOM 0 H VAL A 52 -9.138 9.742 -10.486 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.423 7.960 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.557 9.449 -10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.157 7.426 -10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.438 8.222 -8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.341 6.748 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.840 7.561 -11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.098 6.883 -10.790 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.362 8.447 -11.597 1.00 0.00 H new ATOM 827 N THR A 53 -7.068 9.239 -6.703 1.00 0.00 N ATOM 828 CA THR A 53 -6.464 10.021 -5.624 1.00 0.00 C ATOM 829 C THR A 53 -5.044 9.538 -5.308 1.00 0.00 C ATOM 830 O THR A 53 -4.600 9.606 -4.162 1.00 0.00 O ATOM 831 CB THR A 53 -7.340 9.961 -4.364 1.00 0.00 C ATOM 832 OG1 THR A 53 -8.205 8.836 -4.392 1.00 0.00 O ATOM 833 CG2 THR A 53 -8.198 11.194 -4.178 1.00 0.00 C ATOM 0 H THR A 53 -7.154 8.242 -6.504 1.00 0.00 H new ATOM 0 HA THR A 53 -6.398 11.056 -5.961 1.00 0.00 H new ATOM 0 HB THR A 53 -6.638 9.890 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.508 8.633 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.793 11.090 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.559 12.073 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.861 11.309 -5.036 1.00 0.00 H new ATOM 841 N GLU A 54 -4.326 9.069 -6.332 1.00 0.00 N ATOM 842 CA GLU A 54 -2.959 8.599 -6.155 1.00 0.00 C ATOM 843 C GLU A 54 -1.968 9.726 -6.433 1.00 0.00 C ATOM 844 O GLU A 54 -2.182 10.548 -7.326 1.00 0.00 O ATOM 845 CB GLU A 54 -2.671 7.410 -7.075 1.00 0.00 C ATOM 846 CG GLU A 54 -1.842 6.317 -6.420 1.00 0.00 C ATOM 847 CD GLU A 54 -2.225 4.930 -6.899 1.00 0.00 C ATOM 848 OE1 GLU A 54 -3.292 4.430 -6.482 1.00 0.00 O ATOM 849 OE2 GLU A 54 -1.456 4.341 -7.688 1.00 0.00 O ATOM 0 H GLU A 54 -4.672 9.007 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.843 8.274 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.617 6.984 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.149 7.767 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.787 6.491 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.965 6.371 -5.338 1.00 0.00 H new ATOM 856 N ASN A 55 -0.889 9.757 -5.651 1.00 0.00 N ATOM 857 CA ASN A 55 0.155 10.778 -5.781 1.00 0.00 C ATOM 858 C ASN A 55 -0.350 12.179 -5.403 1.00 0.00 C ATOM 859 O ASN A 55 0.353 13.168 -5.615 1.00 0.00 O ATOM 860 CB ASN A 55 0.729 10.802 -7.203 1.00 0.00 C ATOM 861 CG ASN A 55 1.025 9.415 -7.751 1.00 0.00 C ATOM 862 OD1 ASN A 55 1.182 8.452 -6.998 1.00 0.00 O ATOM 863 ND2 ASN A 55 1.105 9.306 -9.072 1.00 0.00 N ATOM 0 H ASN A 55 -0.713 9.078 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 55 0.944 10.505 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.023 11.304 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.646 11.391 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.303 8.401 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.969 10.128 -9.661 1.00 0.00 H new ATOM 870 N MET A 56 -1.558 12.262 -4.838 1.00 0.00 N ATOM 871 CA MET A 56 -2.125 13.544 -4.432 1.00 0.00 C ATOM 872 C MET A 56 -2.022 13.722 -2.919 1.00 0.00 C ATOM 873 O MET A 56 -1.587 12.814 -2.205 1.00 0.00 O ATOM 874 CB MET A 56 -3.589 13.642 -4.875 1.00 0.00 C ATOM 875 CG MET A 56 -3.883 14.859 -5.739 1.00 0.00 C ATOM 876 SD MET A 56 -5.465 14.736 -6.599 1.00 0.00 S ATOM 877 CE MET A 56 -5.245 13.209 -7.509 1.00 0.00 C ATOM 0 H MET A 56 -2.158 11.458 -4.653 1.00 0.00 H new ATOM 0 HA MET A 56 -1.556 14.339 -4.915 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.854 12.741 -5.429 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.226 13.672 -3.991 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.882 15.752 -5.114 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.085 14.981 -6.471 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.051 13.098 -8.234 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.288 13.231 -8.031 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.261 12.367 -6.817 1.00 0.00 H new ATOM 887 N SER A 57 -2.431 14.891 -2.431 1.00 0.00 N ATOM 888 CA SER A 57 -2.390 15.176 -1.001 1.00 0.00 C ATOM 889 C SER A 57 -3.518 14.441 -0.282 1.00 0.00 C ATOM 890 O SER A 57 -4.644 14.376 -0.783 1.00 0.00 O ATOM 891 CB SER A 57 -2.494 16.683 -0.748 1.00 0.00 C ATOM 892 OG SER A 57 -3.423 17.290 -1.633 1.00 0.00 O ATOM 0 H SER A 57 -2.793 15.653 -3.004 1.00 0.00 H new ATOM 0 HA SER A 57 -1.436 14.825 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.800 16.861 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.514 17.144 -0.873 1.00 0.00 H new ATOM 0 HG SER A 57 -3.471 18.251 -1.448 1.00 0.00 H new ATOM 898 N LEU A 58 -3.216 13.892 0.896 1.00 0.00 N ATOM 899 CA LEU A 58 -4.212 13.165 1.682 1.00 0.00 C ATOM 900 C LEU A 58 -5.451 14.028 1.926 1.00 0.00 C ATOM 901 O LEU A 58 -6.573 13.517 1.974 1.00 0.00 O ATOM 902 CB LEU A 58 -3.617 12.716 3.021 1.00 0.00 C ATOM 903 CG LEU A 58 -4.600 12.033 3.979 1.00 0.00 C ATOM 904 CD1 LEU A 58 -5.161 10.762 3.359 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.923 11.728 5.307 1.00 0.00 C ATOM 0 H LEU A 58 -2.292 13.937 1.325 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.509 12.284 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.793 12.030 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.193 13.587 3.522 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.429 12.716 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.856 10.293 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.684 11.008 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.345 10.072 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.635 11.243 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.074 11.065 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.575 12.656 5.759 1.00 0.00 H new ATOM 917 N THR A 59 -5.240 15.338 2.071 1.00 0.00 N ATOM 918 CA THR A 59 -6.333 16.278 2.303 1.00 0.00 C ATOM 919 C THR A 59 -7.337 16.246 1.154 1.00 0.00 C ATOM 920 O THR A 59 -8.542 16.257 1.385 1.00 0.00 O ATOM 921 CB THR A 59 -5.795 17.700 2.474 1.00 0.00 C ATOM 922 OG1 THR A 59 -4.417 17.688 2.809 1.00 0.00 O ATOM 923 CG2 THR A 59 -6.520 18.494 3.539 1.00 0.00 C ATOM 0 H THR A 59 -4.317 15.771 2.031 1.00 0.00 H new ATOM 0 HA THR A 59 -6.840 15.975 3.219 1.00 0.00 H new ATOM 0 HB THR A 59 -5.959 18.181 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.097 18.609 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.087 19.492 3.607 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.575 18.573 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.420 17.989 4.500 1.00 0.00 H new ATOM 931 N ASP A 60 -6.832 16.202 -0.083 1.00 0.00 N ATOM 932 CA ASP A 60 -7.694 16.162 -1.267 1.00 0.00 C ATOM 933 C ASP A 60 -8.711 15.031 -1.156 1.00 0.00 C ATOM 934 O ASP A 60 -9.909 15.242 -1.352 1.00 0.00 O ATOM 935 CB ASP A 60 -6.854 15.998 -2.538 1.00 0.00 C ATOM 936 CG ASP A 60 -6.703 17.297 -3.302 1.00 0.00 C ATOM 937 OD1 ASP A 60 -6.007 18.205 -2.799 1.00 0.00 O ATOM 938 OD2 ASP A 60 -7.281 17.409 -4.402 1.00 0.00 O ATOM 0 H ASP A 60 -5.833 16.193 -0.289 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.234 17.107 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.867 15.620 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.318 15.252 -3.183 1.00 0.00 H new ATOM 943 N ALA A 61 -8.229 13.833 -0.813 1.00 0.00 N ATOM 944 CA ALA A 61 -9.105 12.677 -0.647 1.00 0.00 C ATOM 945 C ALA A 61 -10.148 12.954 0.432 1.00 0.00 C ATOM 946 O ALA A 61 -11.315 12.587 0.291 1.00 0.00 O ATOM 947 CB ALA A 61 -8.294 11.439 -0.294 1.00 0.00 C ATOM 0 H ALA A 61 -7.241 13.642 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.619 12.494 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.964 10.587 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.582 11.231 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.755 11.611 0.638 1.00 0.00 H new ATOM 953 N LYS A 62 -9.715 13.628 1.502 1.00 0.00 N ATOM 954 CA LYS A 62 -10.604 13.986 2.603 1.00 0.00 C ATOM 955 C LYS A 62 -11.678 14.967 2.124 1.00 0.00 C ATOM 956 O LYS A 62 -12.834 14.890 2.546 1.00 0.00 O ATOM 957 CB LYS A 62 -9.791 14.574 3.775 1.00 0.00 C ATOM 958 CG LYS A 62 -9.963 16.075 3.996 1.00 0.00 C ATOM 959 CD LYS A 62 -11.203 16.384 4.822 1.00 0.00 C ATOM 960 CE LYS A 62 -10.996 17.606 5.704 1.00 0.00 C ATOM 961 NZ LYS A 62 -12.208 17.926 6.513 1.00 0.00 N ATOM 0 H LYS A 62 -8.750 13.936 1.626 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.107 13.087 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.074 14.053 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.735 14.367 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.082 16.472 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.033 16.579 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.051 16.553 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.451 15.524 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.151 17.433 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.740 18.463 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.502 18.906 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.979 17.278 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.989 17.818 7.524 1.00 0.00 H new ATOM 975 N THR A 63 -11.288 15.882 1.232 1.00 0.00 N ATOM 976 CA THR A 63 -12.211 16.873 0.683 1.00 0.00 C ATOM 977 C THR A 63 -13.304 16.200 -0.143 1.00 0.00 C ATOM 978 O THR A 63 -14.470 16.585 -0.064 1.00 0.00 O ATOM 979 CB THR A 63 -11.468 17.884 -0.189 1.00 0.00 C ATOM 980 OG1 THR A 63 -10.125 18.038 0.233 1.00 0.00 O ATOM 981 CG2 THR A 63 -12.099 19.259 -0.190 1.00 0.00 C ATOM 0 H THR A 63 -10.335 15.955 0.875 1.00 0.00 H new ATOM 0 HA THR A 63 -12.669 17.395 1.523 1.00 0.00 H new ATOM 0 HB THR A 63 -11.520 17.471 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.674 18.689 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.519 19.925 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.119 19.191 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.113 19.653 0.826 1.00 0.00 H new ATOM 989 N LEU A 64 -12.921 15.187 -0.928 1.00 0.00 N ATOM 990 CA LEU A 64 -13.881 14.456 -1.754 1.00 0.00 C ATOM 991 C LEU A 64 -15.019 13.914 -0.892 1.00 0.00 C ATOM 992 O LEU A 64 -16.172 13.873 -1.324 1.00 0.00 O ATOM 993 CB LEU A 64 -13.192 13.308 -2.499 1.00 0.00 C ATOM 994 CG LEU A 64 -12.942 13.563 -3.988 1.00 0.00 C ATOM 995 CD1 LEU A 64 -11.985 12.525 -4.558 1.00 0.00 C ATOM 996 CD2 LEU A 64 -14.258 13.560 -4.755 1.00 0.00 C ATOM 0 H LEU A 64 -11.959 14.858 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.294 15.147 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.237 13.102 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.802 12.410 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.482 14.545 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.821 12.724 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.034 12.576 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.414 11.530 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.064 13.743 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.745 12.592 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.908 14.343 -4.365 1.00 0.00 H new ATOM 1008 N ILE A 65 -14.687 13.520 0.340 1.00 0.00 N ATOM 1009 CA ILE A 65 -15.682 13.006 1.274 1.00 0.00 C ATOM 1010 C ILE A 65 -16.641 14.116 1.705 1.00 0.00 C ATOM 1011 O ILE A 65 -17.825 13.864 1.939 1.00 0.00 O ATOM 1012 CB ILE A 65 -15.031 12.387 2.532 1.00 0.00 C ATOM 1013 CG1 ILE A 65 -13.847 11.489 2.150 1.00 0.00 C ATOM 1014 CG2 ILE A 65 -16.063 11.597 3.325 1.00 0.00 C ATOM 1015 CD1 ILE A 65 -14.196 10.408 1.148 1.00 0.00 C ATOM 0 H ILE A 65 -13.737 13.548 0.710 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.231 12.224 0.749 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.654 13.197 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -13.051 12.109 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.452 11.021 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -15.591 11.166 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -16.871 12.260 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -16.466 10.798 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.308 9.815 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -14.970 9.762 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.562 10.867 0.230 1.00 0.00 H new ATOM 1027 N GLU A 66 -16.124 15.345 1.801 1.00 0.00 N ATOM 1028 CA GLU A 66 -16.941 16.490 2.194 1.00 0.00 C ATOM 1029 C GLU A 66 -17.828 16.947 1.036 1.00 0.00 C ATOM 1030 O GLU A 66 -18.996 17.283 1.234 1.00 0.00 O ATOM 1031 CB GLU A 66 -16.055 17.646 2.664 1.00 0.00 C ATOM 1032 CG GLU A 66 -15.209 17.316 3.886 1.00 0.00 C ATOM 1033 CD GLU A 66 -14.666 18.553 4.576 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -13.889 19.296 3.939 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -15.010 18.775 5.755 1.00 0.00 O ATOM 0 H GLU A 66 -15.147 15.569 1.612 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.581 16.180 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.397 17.942 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.686 18.505 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.809 16.744 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.377 16.679 3.585 1.00 0.00 H new ATOM 1042 N ARG A 67 -17.262 16.952 -0.175 1.00 0.00 N ATOM 1043 CA ARG A 67 -17.997 17.361 -1.373 1.00 0.00 C ATOM 1044 C ARG A 67 -19.250 16.504 -1.579 1.00 0.00 C ATOM 1045 O ARG A 67 -20.257 16.985 -2.101 1.00 0.00 O ATOM 1046 CB ARG A 67 -17.093 17.272 -2.606 1.00 0.00 C ATOM 1047 CG ARG A 67 -17.684 17.924 -3.847 1.00 0.00 C ATOM 1048 CD ARG A 67 -16.683 17.951 -4.992 1.00 0.00 C ATOM 1049 NE ARG A 67 -15.791 19.108 -4.920 1.00 0.00 N ATOM 1050 CZ ARG A 67 -14.670 19.232 -5.635 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -14.301 18.274 -6.482 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -13.916 20.319 -5.504 1.00 0.00 N ATOM 0 H ARG A 67 -16.296 16.677 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.313 18.395 -1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.137 17.744 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.888 16.223 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.577 17.380 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.996 18.941 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.091 17.036 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.219 17.967 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.040 19.866 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.876 17.438 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.443 18.376 -7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.194 21.058 -4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.060 20.414 -6.050 1.00 0.00 H new ATOM 1066 N SER A 68 -19.182 15.234 -1.165 1.00 0.00 N ATOM 1067 CA SER A 68 -20.313 14.323 -1.302 1.00 0.00 C ATOM 1068 C SER A 68 -21.521 14.832 -0.514 1.00 0.00 C ATOM 1069 O SER A 68 -21.519 14.822 0.719 1.00 0.00 O ATOM 1070 CB SER A 68 -19.934 12.921 -0.824 1.00 0.00 C ATOM 1071 OG SER A 68 -20.882 11.964 -1.268 1.00 0.00 O ATOM 0 H SER A 68 -18.356 14.819 -0.734 1.00 0.00 H new ATOM 0 HA SER A 68 -20.580 14.277 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.944 12.660 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.878 12.906 0.264 1.00 0.00 H new ATOM 0 HG SER A 68 -21.302 11.536 -0.493 1.00 0.00 H new ATOM 1077 N LYS A 69 -22.550 15.275 -1.236 1.00 0.00 N ATOM 1078 CA LYS A 69 -23.767 15.787 -0.606 1.00 0.00 C ATOM 1079 C LYS A 69 -24.860 14.714 -0.552 1.00 0.00 C ATOM 1080 O LYS A 69 -26.053 15.028 -0.579 1.00 0.00 O ATOM 1081 CB LYS A 69 -24.273 17.022 -1.359 1.00 0.00 C ATOM 1082 CG LYS A 69 -24.727 16.734 -2.783 1.00 0.00 C ATOM 1083 CD LYS A 69 -24.574 17.955 -3.676 1.00 0.00 C ATOM 1084 CE LYS A 69 -23.230 17.960 -4.389 1.00 0.00 C ATOM 1085 NZ LYS A 69 -23.286 18.701 -5.679 1.00 0.00 N ATOM 0 H LYS A 69 -22.565 15.290 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 69 -23.523 16.069 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -25.104 17.458 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -23.480 17.769 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -24.144 15.908 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -25.769 16.416 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -25.378 17.971 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -24.672 18.860 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -22.478 18.413 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.914 16.933 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.350 18.680 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.985 18.254 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -23.562 19.688 -5.501 1.00 0.00 H new ATOM 1099 N GLY A 70 -24.448 13.445 -0.474 1.00 0.00 N ATOM 1100 CA GLY A 70 -25.402 12.356 -0.417 1.00 0.00 C ATOM 1101 C GLY A 70 -24.760 11.010 -0.683 1.00 0.00 C ATOM 1102 O GLY A 70 -24.303 10.349 0.244 1.00 0.00 O ATOM 0 H GLY A 70 -23.470 13.158 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.875 12.342 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.191 12.530 -1.148 1.00 0.00 H new ATOM 1106 N LYS A 71 -24.727 10.600 -1.948 1.00 0.00 N ATOM 1107 CA LYS A 71 -24.133 9.316 -2.318 1.00 0.00 C ATOM 1108 C LYS A 71 -22.629 9.442 -2.559 1.00 0.00 C ATOM 1109 O LYS A 71 -22.169 10.370 -3.230 1.00 0.00 O ATOM 1110 CB LYS A 71 -24.823 8.738 -3.561 1.00 0.00 C ATOM 1111 CG LYS A 71 -24.649 9.582 -4.816 1.00 0.00 C ATOM 1112 CD LYS A 71 -23.463 9.113 -5.647 1.00 0.00 C ATOM 1113 CE LYS A 71 -23.911 8.323 -6.868 1.00 0.00 C ATOM 1114 NZ LYS A 71 -22.964 8.471 -8.010 1.00 0.00 N ATOM 0 H LYS A 71 -25.102 11.134 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 71 -24.283 8.633 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -24.430 7.739 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -25.888 8.628 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.557 9.533 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.508 10.626 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -22.878 9.976 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -22.810 8.494 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -23.999 7.269 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -24.902 8.659 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -23.308 7.917 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -22.899 9.473 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -22.024 8.126 -7.728 1.00 0.00 H new ATOM 1128 N LEU A 72 -21.872 8.493 -2.011 1.00 0.00 N ATOM 1129 CA LEU A 72 -20.418 8.476 -2.161 1.00 0.00 C ATOM 1130 C LEU A 72 -19.968 7.217 -2.900 1.00 0.00 C ATOM 1131 O LEU A 72 -20.566 6.150 -2.749 1.00 0.00 O ATOM 1132 CB LEU A 72 -19.738 8.545 -0.789 1.00 0.00 C ATOM 1133 CG LEU A 72 -18.681 9.645 -0.632 1.00 0.00 C ATOM 1134 CD1 LEU A 72 -18.231 9.751 0.818 1.00 0.00 C ATOM 1135 CD2 LEU A 72 -17.487 9.383 -1.537 1.00 0.00 C ATOM 0 H LEU A 72 -22.244 7.722 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.126 9.349 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.506 8.692 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.269 7.582 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.133 10.592 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.481 10.537 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.087 9.991 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.802 8.801 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.751 10.177 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.037 8.425 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.816 9.359 -2.576 1.00 0.00 H new ATOM 1147 N LYS A 73 -18.907 7.347 -3.695 1.00 0.00 N ATOM 1148 CA LYS A 73 -18.370 6.222 -4.455 1.00 0.00 C ATOM 1149 C LYS A 73 -16.879 6.040 -4.168 1.00 0.00 C ATOM 1150 O LYS A 73 -16.120 7.010 -4.166 1.00 0.00 O ATOM 1151 CB LYS A 73 -18.590 6.439 -5.953 1.00 0.00 C ATOM 1152 CG LYS A 73 -19.848 5.773 -6.486 1.00 0.00 C ATOM 1153 CD LYS A 73 -19.694 5.366 -7.944 1.00 0.00 C ATOM 1154 CE LYS A 73 -20.320 4.005 -8.215 1.00 0.00 C ATOM 1155 NZ LYS A 73 -21.805 4.032 -8.082 1.00 0.00 N ATOM 0 H LYS A 73 -18.402 8.223 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.897 5.319 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.643 7.509 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.727 6.056 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.077 4.893 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.692 6.456 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.161 6.116 -8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -18.636 5.339 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.053 3.678 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.908 3.273 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -22.135 3.127 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -22.083 4.807 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -22.235 4.181 -9.017 1.00 0.00 H new ATOM 1169 N MET A 74 -16.470 4.796 -3.926 1.00 0.00 N ATOM 1170 CA MET A 74 -15.070 4.488 -3.639 1.00 0.00 C ATOM 1171 C MET A 74 -14.674 3.147 -4.252 1.00 0.00 C ATOM 1172 O MET A 74 -15.332 2.132 -4.020 1.00 0.00 O ATOM 1173 CB MET A 74 -14.831 4.461 -2.127 1.00 0.00 C ATOM 1174 CG MET A 74 -14.575 5.831 -1.519 1.00 0.00 C ATOM 1175 SD MET A 74 -15.747 6.240 -0.211 1.00 0.00 S ATOM 1176 CE MET A 74 -15.504 4.861 0.907 1.00 0.00 C ATOM 0 H MET A 74 -17.088 3.985 -3.923 1.00 0.00 H new ATOM 0 HA MET A 74 -14.452 5.269 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 74 -15.698 4.014 -1.640 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.979 3.815 -1.915 1.00 0.00 H new ATOM 0 HG2 MET A 74 -13.562 5.862 -1.117 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.631 6.588 -2.301 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.454 4.598 1.372 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.123 4.004 0.351 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.787 5.140 1.679 1.00 0.00 H new ATOM 1186 N VAL A 75 -13.594 3.150 -5.034 1.00 0.00 N ATOM 1187 CA VAL A 75 -13.111 1.932 -5.678 1.00 0.00 C ATOM 1188 C VAL A 75 -11.818 1.448 -5.027 1.00 0.00 C ATOM 1189 O VAL A 75 -10.795 2.135 -5.071 1.00 0.00 O ATOM 1190 CB VAL A 75 -12.874 2.146 -7.190 1.00 0.00 C ATOM 1191 CG1 VAL A 75 -12.513 0.832 -7.871 1.00 0.00 C ATOM 1192 CG2 VAL A 75 -14.099 2.771 -7.844 1.00 0.00 C ATOM 0 H VAL A 75 -13.039 3.982 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 75 -13.884 1.175 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.036 2.833 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.351 1.006 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.603 0.430 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.327 0.119 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.911 2.913 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.958 2.113 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -14.307 3.735 -7.380 1.00 0.00 H new ATOM 1202 N VAL A 76 -11.875 0.261 -4.421 1.00 0.00 N ATOM 1203 CA VAL A 76 -10.710 -0.320 -3.755 1.00 0.00 C ATOM 1204 C VAL A 76 -10.334 -1.677 -4.351 1.00 0.00 C ATOM 1205 O VAL A 76 -11.109 -2.274 -5.104 1.00 0.00 O ATOM 1206 CB VAL A 76 -10.950 -0.496 -2.239 1.00 0.00 C ATOM 1207 CG1 VAL A 76 -11.125 0.854 -1.561 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -12.157 -1.388 -1.984 1.00 0.00 C ATOM 0 H VAL A 76 -12.715 -0.316 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.890 0.381 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.073 -0.980 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.293 0.706 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.227 1.454 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -11.981 1.371 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.308 -1.498 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.043 -0.937 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.986 -2.368 -2.429 1.00 0.00 H new ATOM 1218 N GLN A 77 -9.141 -2.159 -3.998 1.00 0.00 N ATOM 1219 CA GLN A 77 -8.652 -3.449 -4.483 1.00 0.00 C ATOM 1220 C GLN A 77 -8.248 -4.355 -3.321 1.00 0.00 C ATOM 1221 O GLN A 77 -7.731 -3.884 -2.305 1.00 0.00 O ATOM 1222 CB GLN A 77 -7.464 -3.253 -5.431 1.00 0.00 C ATOM 1223 CG GLN A 77 -6.319 -2.449 -4.829 1.00 0.00 C ATOM 1224 CD GLN A 77 -4.965 -3.088 -5.076 1.00 0.00 C ATOM 1225 OE1 GLN A 77 -4.348 -2.874 -6.119 1.00 0.00 O ATOM 1226 NE2 GLN A 77 -4.495 -3.877 -4.115 1.00 0.00 N ATOM 0 H GLN A 77 -8.495 -1.673 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.464 -3.929 -5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.089 -4.230 -5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.812 -2.751 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.325 -1.444 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.478 -2.345 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.040 -4.027 -3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.589 -4.333 -4.227 1.00 0.00 H new ATOM 1321 N THR B 1 -13.170 -3.685 -6.711 1.00 0.00 N ATOM 1322 CA THR B 1 -14.457 -3.567 -5.969 1.00 0.00 C ATOM 1323 C THR B 1 -14.954 -2.121 -5.948 1.00 0.00 C ATOM 1324 O THR B 1 -14.174 -1.194 -5.717 1.00 0.00 O ATOM 1325 CB THR B 1 -14.255 -4.076 -4.537 1.00 0.00 C ATOM 1326 OG1 THR B 1 -13.305 -5.128 -4.503 1.00 0.00 O ATOM 1327 CG2 THR B 1 -15.529 -4.592 -3.898 1.00 0.00 C ATOM 0 H1 THR B 1 -12.935 -4.690 -6.841 1.00 0.00 H new ATOM 0 H2 THR B 1 -13.262 -3.228 -7.641 1.00 0.00 H new ATOM 0 H3 THR B 1 -12.413 -3.220 -6.170 1.00 0.00 H new ATOM 0 HA THR B 1 -15.212 -4.169 -6.475 1.00 0.00 H new ATOM 0 HB THR B 1 -13.906 -3.210 -3.974 1.00 0.00 H new ATOM 0 HG1 THR B 1 -13.191 -5.436 -3.580 1.00 0.00 H new ATOM 0 HG21 THR B 1 -15.315 -4.937 -2.886 1.00 0.00 H new ATOM 0 HG22 THR B 1 -16.267 -3.791 -3.860 1.00 0.00 H new ATOM 0 HG23 THR B 1 -15.922 -5.420 -4.488 1.00 0.00 H new ATOM 1337 N LYS B 2 -16.252 -1.936 -6.192 1.00 0.00 N ATOM 1338 CA LYS B 2 -16.852 -0.604 -6.200 1.00 0.00 C ATOM 1339 C LYS B 2 -17.794 -0.421 -5.013 1.00 0.00 C ATOM 1340 O LYS B 2 -18.768 -1.161 -4.863 1.00 0.00 O ATOM 1341 CB LYS B 2 -17.611 -0.367 -7.509 1.00 0.00 C ATOM 1342 CG LYS B 2 -16.707 -0.018 -8.683 1.00 0.00 C ATOM 1343 CD LYS B 2 -16.513 -1.205 -9.615 1.00 0.00 C ATOM 1344 CE LYS B 2 -16.894 -0.861 -11.047 1.00 0.00 C ATOM 1345 NZ LYS B 2 -16.964 -2.071 -11.914 1.00 0.00 N ATOM 0 H LYS B 2 -16.907 -2.693 -6.387 1.00 0.00 H new ATOM 0 HA LYS B 2 -16.047 0.126 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -18.183 -1.262 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -18.329 0.440 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -17.137 0.815 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -15.738 0.314 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -15.472 -1.528 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -17.118 -2.043 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -17.859 -0.355 -11.053 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -16.165 -0.163 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -17.227 -1.791 -12.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -16.036 -2.541 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -17.678 -2.727 -11.538 1.00 0.00 H new ATOM 1359 N VAL B 3 -17.495 0.568 -4.172 1.00 0.00 N ATOM 1360 CA VAL B 3 -18.311 0.857 -2.997 1.00 0.00 C ATOM 1361 C VAL B 3 -19.184 2.089 -3.227 1.00 0.00 C ATOM 1362 O VAL B 3 -18.690 3.135 -3.652 1.00 0.00 O ATOM 1363 CB VAL B 3 -17.441 1.098 -1.744 1.00 0.00 C ATOM 1364 CG1 VAL B 3 -18.313 1.194 -0.498 1.00 0.00 C ATOM 1365 CG2 VAL B 3 -16.395 0.004 -1.587 1.00 0.00 C ATOM 0 H VAL B 3 -16.690 1.184 -4.285 1.00 0.00 H new ATOM 0 HA VAL B 3 -18.941 -0.017 -2.832 1.00 0.00 H new ATOM 0 HB VAL B 3 -16.918 2.046 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -17.683 1.364 0.375 1.00 0.00 H new ATOM 0 HG12 VAL B 3 -19.013 2.022 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL B 3 -18.868 0.265 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -15.796 0.198 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -16.891 -0.962 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -15.748 -0.009 -2.464 1.00 0.00 H new ATOM 1375 N THR B 4 -20.478 1.964 -2.935 1.00 0.00 N ATOM 1376 CA THR B 4 -21.411 3.075 -3.103 1.00 0.00 C ATOM 1377 C THR B 4 -22.220 3.300 -1.826 1.00 0.00 C ATOM 1378 O THR B 4 -23.127 2.527 -1.509 1.00 0.00 O ATOM 1379 CB THR B 4 -22.353 2.828 -4.287 1.00 0.00 C ATOM 1380 OG1 THR B 4 -21.693 2.125 -5.329 1.00 0.00 O ATOM 1381 CG2 THR B 4 -22.906 4.102 -4.883 1.00 0.00 C ATOM 0 H THR B 4 -20.902 1.106 -2.582 1.00 0.00 H new ATOM 0 HA THR B 4 -20.827 3.972 -3.309 1.00 0.00 H new ATOM 0 HB THR B 4 -23.175 2.242 -3.877 1.00 0.00 H new ATOM 0 HG1 THR B 4 -22.316 1.979 -6.071 1.00 0.00 H new ATOM 0 HG21 THR B 4 -23.565 3.858 -5.716 1.00 0.00 H new ATOM 0 HG22 THR B 4 -23.468 4.645 -4.123 1.00 0.00 H new ATOM 0 HG23 THR B 4 -22.085 4.723 -5.240 1.00 0.00 H new ATOM 1389 N LEU B 5 -21.885 4.365 -1.100 1.00 0.00 N ATOM 1390 CA LEU B 5 -22.576 4.703 0.144 1.00 0.00 C ATOM 1391 C LEU B 5 -23.637 5.776 -0.097 1.00 0.00 C ATOM 1392 O LEU B 5 -23.571 6.513 -1.082 1.00 0.00 O ATOM 1393 CB LEU B 5 -21.574 5.194 1.193 1.00 0.00 C ATOM 1394 CG LEU B 5 -20.479 4.192 1.573 1.00 0.00 C ATOM 1395 CD1 LEU B 5 -19.470 4.835 2.514 1.00 0.00 C ATOM 1396 CD2 LEU B 5 -21.088 2.951 2.208 1.00 0.00 C ATOM 0 H LEU B 5 -21.137 5.011 -1.352 1.00 0.00 H new ATOM 0 HA LEU B 5 -23.068 3.802 0.512 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -21.099 6.102 0.821 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -22.122 5.467 2.095 1.00 0.00 H new ATOM 0 HG LEU B 5 -19.957 3.891 0.664 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -18.700 4.109 2.773 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -19.010 5.692 2.023 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -19.977 5.165 3.421 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -20.295 2.251 2.471 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -21.636 3.234 3.107 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -21.770 2.478 1.501 1.00 0.00 H new ATOM 1408 N VAL B 6 -24.612 5.862 0.812 1.00 0.00 N ATOM 1409 CA VAL B 6 -25.683 6.850 0.695 1.00 0.00 C ATOM 1410 C VAL B 6 -25.876 7.615 2.005 1.00 0.00 C ATOM 1411 O VAL B 6 -26.492 7.114 2.947 1.00 0.00 O ATOM 1412 CB VAL B 6 -27.022 6.198 0.285 1.00 0.00 C ATOM 1413 CG1 VAL B 6 -28.069 7.264 -0.004 1.00 0.00 C ATOM 1414 CG2 VAL B 6 -26.833 5.290 -0.925 1.00 0.00 C ATOM 0 H VAL B 6 -24.680 5.261 1.633 1.00 0.00 H new ATOM 0 HA VAL B 6 -25.380 7.546 -0.087 1.00 0.00 H new ATOM 0 HB VAL B 6 -27.373 5.587 1.117 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -29.005 6.786 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -28.229 7.868 0.889 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -27.723 7.902 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -27.789 4.842 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -26.456 5.875 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -26.119 4.503 -0.681 1.00 0.00 H new ATOM 1424 N LYS B 7 -25.348 8.835 2.048 1.00 0.00 N ATOM 1425 CA LYS B 7 -25.453 9.689 3.229 1.00 0.00 C ATOM 1426 C LYS B 7 -26.758 10.481 3.219 1.00 0.00 C ATOM 1427 O LYS B 7 -27.076 11.159 2.239 1.00 0.00 O ATOM 1428 CB LYS B 7 -24.261 10.650 3.288 1.00 0.00 C ATOM 1429 CG LYS B 7 -24.247 11.547 4.518 1.00 0.00 C ATOM 1430 CD LYS B 7 -24.247 13.020 4.133 1.00 0.00 C ATOM 1431 CE LYS B 7 -22.851 13.504 3.764 1.00 0.00 C ATOM 1432 NZ LYS B 7 -22.117 14.049 4.941 1.00 0.00 N ATOM 0 H LYS B 7 -24.839 9.258 1.272 1.00 0.00 H new ATOM 0 HA LYS B 7 -25.447 9.050 4.112 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -23.339 10.070 3.264 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -24.268 11.275 2.395 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -25.118 11.331 5.137 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -23.366 11.327 5.120 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -24.921 13.176 3.291 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -24.631 13.613 4.963 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -22.284 12.679 3.334 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -22.926 14.274 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -21.172 14.367 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -22.644 14.853 5.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -22.022 13.308 5.664 1.00 0.00 H new ATOM 1532 N GLU B 13 -22.860 10.001 9.637 1.00 0.00 N ATOM 1533 CA GLU B 13 -22.350 10.104 8.276 1.00 0.00 C ATOM 1534 C GLU B 13 -21.567 8.843 7.890 1.00 0.00 C ATOM 1535 O GLU B 13 -21.678 7.808 8.551 1.00 0.00 O ATOM 1536 CB GLU B 13 -21.463 11.350 8.156 1.00 0.00 C ATOM 1537 CG GLU B 13 -20.238 11.320 9.061 1.00 0.00 C ATOM 1538 CD GLU B 13 -20.140 12.539 9.959 1.00 0.00 C ATOM 1539 OE1 GLU B 13 -21.097 12.797 10.722 1.00 0.00 O ATOM 1540 OE2 GLU B 13 -19.106 13.235 9.901 1.00 0.00 O ATOM 0 HA GLU B 13 -23.191 10.196 7.588 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -21.137 11.454 7.121 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.057 12.232 8.393 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.270 10.422 9.678 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -19.340 11.254 8.447 1.00 0.00 H new ATOM 1547 N TYR B 14 -20.780 8.938 6.815 1.00 0.00 N ATOM 1548 CA TYR B 14 -19.979 7.806 6.340 1.00 0.00 C ATOM 1549 C TYR B 14 -19.120 7.227 7.461 1.00 0.00 C ATOM 1550 O TYR B 14 -19.025 6.007 7.607 1.00 0.00 O ATOM 1551 CB TYR B 14 -19.085 8.231 5.171 1.00 0.00 C ATOM 1552 CG TYR B 14 -19.827 8.945 4.062 1.00 0.00 C ATOM 1553 CD1 TYR B 14 -20.749 8.271 3.269 1.00 0.00 C ATOM 1554 CD2 TYR B 14 -19.609 10.294 3.812 1.00 0.00 C ATOM 1555 CE1 TYR B 14 -21.427 8.919 2.258 1.00 0.00 C ATOM 1556 CE2 TYR B 14 -20.282 10.948 2.802 1.00 0.00 C ATOM 1557 CZ TYR B 14 -21.192 10.258 2.031 1.00 0.00 C ATOM 1558 OH TYR B 14 -21.857 10.907 1.021 1.00 0.00 O ATOM 0 H TYR B 14 -20.680 9.786 6.257 1.00 0.00 H new ATOM 0 HA TYR B 14 -20.670 7.034 6.000 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -18.297 8.884 5.547 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -18.597 7.348 4.759 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -20.937 7.223 3.448 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -18.901 10.839 4.419 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -22.137 8.381 1.648 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -20.097 11.996 2.616 1.00 0.00 H new ATOM 0 HH TYR B 14 -22.631 10.374 0.744 1.00 0.00 H new ATOM 1568 N GLY B 15 -18.496 8.111 8.246 1.00 0.00 N ATOM 1569 CA GLY B 15 -17.652 7.677 9.347 1.00 0.00 C ATOM 1570 C GLY B 15 -16.529 6.753 8.905 1.00 0.00 C ATOM 1571 O GLY B 15 -16.223 5.774 9.587 1.00 0.00 O ATOM 0 H GLY B 15 -18.563 9.123 8.135 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -17.224 8.552 9.836 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -18.266 7.165 10.088 1.00 0.00 H new ATOM 1575 N LEU B 16 -15.914 7.060 7.762 1.00 0.00 N ATOM 1576 CA LEU B 16 -14.820 6.242 7.241 1.00 0.00 C ATOM 1577 C LEU B 16 -13.476 6.944 7.428 1.00 0.00 C ATOM 1578 O LEU B 16 -13.259 8.045 6.918 1.00 0.00 O ATOM 1579 CB LEU B 16 -15.051 5.905 5.758 1.00 0.00 C ATOM 1580 CG LEU B 16 -15.018 7.097 4.797 1.00 0.00 C ATOM 1581 CD1 LEU B 16 -13.667 7.189 4.102 1.00 0.00 C ATOM 1582 CD2 LEU B 16 -16.138 6.991 3.772 1.00 0.00 C ATOM 0 H LEU B 16 -16.154 7.865 7.183 1.00 0.00 H new ATOM 0 HA LEU B 16 -14.798 5.310 7.806 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -14.293 5.187 5.444 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -16.018 5.410 5.662 1.00 0.00 H new ATOM 0 HG LEU B 16 -15.168 8.007 5.378 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -13.664 8.042 3.424 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -12.882 7.316 4.848 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -13.486 6.275 3.536 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -16.097 7.847 3.099 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -16.020 6.072 3.198 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -17.100 6.978 4.284 1.00 0.00 H new ATOM 1594 N ARG B 17 -12.575 6.296 8.167 1.00 0.00 N ATOM 1595 CA ARG B 17 -11.249 6.850 8.427 1.00 0.00 C ATOM 1596 C ARG B 17 -10.355 6.702 7.199 1.00 0.00 C ATOM 1597 O ARG B 17 -9.984 5.592 6.820 1.00 0.00 O ATOM 1598 CB ARG B 17 -10.606 6.155 9.631 1.00 0.00 C ATOM 1599 CG ARG B 17 -10.228 7.105 10.757 1.00 0.00 C ATOM 1600 CD ARG B 17 -8.920 7.823 10.468 1.00 0.00 C ATOM 1601 NE ARG B 17 -8.593 8.798 11.507 1.00 0.00 N ATOM 1602 CZ ARG B 17 -9.182 9.994 11.625 1.00 0.00 C ATOM 1603 NH1 ARG B 17 -10.138 10.363 10.773 1.00 0.00 N ATOM 1604 NH2 ARG B 17 -8.817 10.818 12.603 1.00 0.00 N ATOM 0 H ARG B 17 -12.741 5.386 8.596 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.360 7.911 8.651 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.296 5.405 10.017 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -9.713 5.626 9.299 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.023 7.838 10.898 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.139 6.548 11.690 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -8.115 7.093 10.389 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.988 8.328 9.504 1.00 0.00 H new ATOM 0 HE ARG B 17 -7.871 8.551 12.184 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -10.425 9.732 10.025 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -10.582 11.276 10.869 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -8.090 10.538 13.261 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -9.264 11.730 12.695 1.00 0.00 H new ATOM 1618 N LEU B 18 -10.026 7.830 6.576 1.00 0.00 N ATOM 1619 CA LEU B 18 -9.187 7.831 5.383 1.00 0.00 C ATOM 1620 C LEU B 18 -7.726 8.117 5.732 1.00 0.00 C ATOM 1621 O LEU B 18 -7.432 8.950 6.591 1.00 0.00 O ATOM 1622 CB LEU B 18 -9.706 8.870 4.382 1.00 0.00 C ATOM 1623 CG LEU B 18 -9.626 8.463 2.908 1.00 0.00 C ATOM 1624 CD1 LEU B 18 -8.179 8.429 2.441 1.00 0.00 C ATOM 1625 CD2 LEU B 18 -10.299 7.114 2.687 1.00 0.00 C ATOM 0 H LEU B 18 -10.328 8.756 6.879 1.00 0.00 H new ATOM 0 HA LEU B 18 -9.235 6.840 4.932 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -10.745 9.094 4.623 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -9.142 9.793 4.517 1.00 0.00 H new ATOM 0 HG LEU B 18 -10.157 9.208 2.315 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -8.142 8.138 1.391 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -7.735 9.418 2.559 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -7.621 7.707 3.038 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -10.232 6.842 1.634 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -9.800 6.355 3.290 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -11.347 7.178 2.979 1.00 0.00 H new ATOM 1637 N ALA B 19 -6.815 7.420 5.050 1.00 0.00 N ATOM 1638 CA ALA B 19 -5.381 7.589 5.270 1.00 0.00 C ATOM 1639 C ALA B 19 -4.605 7.443 3.959 1.00 0.00 C ATOM 1640 O ALA B 19 -5.150 6.976 2.957 1.00 0.00 O ATOM 1641 CB ALA B 19 -4.886 6.583 6.298 1.00 0.00 C ATOM 0 H ALA B 19 -7.049 6.729 4.337 1.00 0.00 H new ATOM 0 HA ALA B 19 -5.209 8.595 5.652 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -3.816 6.719 6.454 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -5.412 6.737 7.240 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -5.075 5.572 5.938 1.00 0.00 H new ATOM 1647 N SER B 20 -3.333 7.848 3.967 1.00 0.00 N ATOM 1648 CA SER B 20 -2.497 7.758 2.769 1.00 0.00 C ATOM 1649 C SER B 20 -1.150 7.102 3.071 1.00 0.00 C ATOM 1650 O SER B 20 -0.625 7.216 4.182 1.00 0.00 O ATOM 1651 CB SER B 20 -2.278 9.149 2.166 1.00 0.00 C ATOM 1652 OG SER B 20 -1.642 10.016 3.090 1.00 0.00 O ATOM 0 H SER B 20 -2.863 8.239 4.783 1.00 0.00 H new ATOM 0 HA SER B 20 -3.022 7.132 2.048 1.00 0.00 H new ATOM 0 HB2 SER B 20 -1.671 9.066 1.265 1.00 0.00 H new ATOM 0 HB3 SER B 20 -3.236 9.573 1.866 1.00 0.00 H new ATOM 0 HG SER B 20 -1.124 10.690 2.603 1.00 0.00 H new ATOM 1658 N HIS B 21 -0.597 6.418 2.069 1.00 0.00 N ATOM 1659 CA HIS B 21 0.691 5.740 2.206 1.00 0.00 C ATOM 1660 C HIS B 21 1.736 6.370 1.285 1.00 0.00 C ATOM 1661 O HIS B 21 1.441 7.321 0.555 1.00 0.00 O ATOM 1662 CB HIS B 21 0.535 4.250 1.879 1.00 0.00 C ATOM 1663 CG HIS B 21 0.662 3.357 3.072 1.00 0.00 C ATOM 1664 ND1 HIS B 21 1.564 2.321 3.146 1.00 0.00 N ATOM 1665 CD2 HIS B 21 -0.009 3.352 4.243 1.00 0.00 C ATOM 1666 CE1 HIS B 21 1.441 1.715 4.313 1.00 0.00 C ATOM 1667 NE2 HIS B 21 0.492 2.323 4.999 1.00 0.00 N ATOM 0 H HIS B 21 -1.025 6.319 1.148 1.00 0.00 H new ATOM 0 HA HIS B 21 1.030 5.849 3.236 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -0.439 4.088 1.417 1.00 0.00 H new ATOM 0 HB3 HIS B 21 1.288 3.968 1.143 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -0.796 4.033 4.532 1.00 0.00 H new ATOM 0 HE1 HIS B 21 2.019 0.866 4.649 1.00 0.00 H new ATOM 0 HE2 HIS B 21 0.182 2.070 5.937 1.00 0.00 H new ATOM 1676 N ILE B 22 2.961 5.837 1.319 1.00 0.00 N ATOM 1677 CA ILE B 22 4.046 6.353 0.486 1.00 0.00 C ATOM 1678 C ILE B 22 4.803 5.220 -0.208 1.00 0.00 C ATOM 1679 O ILE B 22 5.058 4.176 0.390 1.00 0.00 O ATOM 1680 CB ILE B 22 5.046 7.186 1.321 1.00 0.00 C ATOM 1681 CG1 ILE B 22 4.316 8.284 2.100 1.00 0.00 C ATOM 1682 CG2 ILE B 22 6.120 7.791 0.427 1.00 0.00 C ATOM 1683 CD1 ILE B 22 3.685 9.347 1.223 1.00 0.00 C ATOM 0 H ILE B 22 3.224 5.051 1.913 1.00 0.00 H new ATOM 0 HA ILE B 22 3.586 6.992 -0.268 1.00 0.00 H new ATOM 0 HB ILE B 22 5.529 6.520 2.036 1.00 0.00 H new ATOM 0 HG12 ILE B 22 3.540 7.826 2.713 1.00 0.00 H new ATOM 0 HG13 ILE B 22 5.020 8.761 2.782 1.00 0.00 H new ATOM 0 HG21 ILE B 22 6.813 8.373 1.034 1.00 0.00 H new ATOM 0 HG22 ILE B 22 6.663 6.993 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE B 22 5.653 8.440 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.188 10.088 1.850 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.458 9.834 0.629 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.955 8.884 0.559 1.00 0.00 H new ATOM 1695 N PHE B 23 5.165 5.442 -1.473 1.00 0.00 N ATOM 1696 CA PHE B 23 5.902 4.445 -2.250 1.00 0.00 C ATOM 1697 C PHE B 23 6.813 5.115 -3.284 1.00 0.00 C ATOM 1698 O PHE B 23 6.811 6.338 -3.424 1.00 0.00 O ATOM 1699 CB PHE B 23 4.932 3.478 -2.941 1.00 0.00 C ATOM 1700 CG PHE B 23 4.144 4.102 -4.060 1.00 0.00 C ATOM 1701 CD1 PHE B 23 3.168 5.047 -3.793 1.00 0.00 C ATOM 1702 CD2 PHE B 23 4.385 3.746 -5.378 1.00 0.00 C ATOM 1703 CE1 PHE B 23 2.444 5.622 -4.816 1.00 0.00 C ATOM 1704 CE2 PHE B 23 3.662 4.318 -6.407 1.00 0.00 C ATOM 1705 CZ PHE B 23 2.691 5.261 -6.125 1.00 0.00 C ATOM 0 H PHE B 23 4.960 6.303 -1.980 1.00 0.00 H new ATOM 0 HA PHE B 23 6.529 3.879 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE B 23 5.496 2.632 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE B 23 4.239 3.082 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE B 23 2.971 5.337 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE B 23 5.146 3.014 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE B 23 1.683 6.355 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE B 23 3.855 4.029 -7.430 1.00 0.00 H new ATOM 0 HZ PHE B 23 2.127 5.714 -6.927 1.00 0.00 H new ATOM 1715 N VAL B 24 7.586 4.303 -4.007 1.00 0.00 N ATOM 1716 CA VAL B 24 8.499 4.817 -5.027 1.00 0.00 C ATOM 1717 C VAL B 24 7.906 4.653 -6.427 1.00 0.00 C ATOM 1718 O VAL B 24 7.736 3.531 -6.910 1.00 0.00 O ATOM 1719 CB VAL B 24 9.871 4.107 -4.971 1.00 0.00 C ATOM 1720 CG1 VAL B 24 10.867 4.778 -5.907 1.00 0.00 C ATOM 1721 CG2 VAL B 24 10.405 4.084 -3.546 1.00 0.00 C ATOM 0 H VAL B 24 7.598 3.288 -3.905 1.00 0.00 H new ATOM 0 HA VAL B 24 8.643 5.877 -4.817 1.00 0.00 H new ATOM 0 HB VAL B 24 9.734 3.078 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL B 24 11.825 4.261 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.491 4.735 -6.929 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.999 5.819 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL B 24 11.371 3.580 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL B 24 10.522 5.106 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL B 24 9.705 3.550 -2.904 1.00 0.00 H new ATOM 1731 N LYS B 25 7.600 5.778 -7.075 1.00 0.00 N ATOM 1732 CA LYS B 25 7.033 5.760 -8.426 1.00 0.00 C ATOM 1733 C LYS B 25 8.032 5.201 -9.445 1.00 0.00 C ATOM 1734 O LYS B 25 7.639 4.534 -10.401 1.00 0.00 O ATOM 1735 CB LYS B 25 6.593 7.169 -8.841 1.00 0.00 C ATOM 1736 CG LYS B 25 5.472 7.183 -9.871 1.00 0.00 C ATOM 1737 CD LYS B 25 4.149 6.736 -9.269 1.00 0.00 C ATOM 1738 CE LYS B 25 3.144 6.350 -10.347 1.00 0.00 C ATOM 1739 NZ LYS B 25 3.175 4.890 -10.647 1.00 0.00 N ATOM 0 H LYS B 25 7.735 6.712 -6.688 1.00 0.00 H new ATOM 0 HA LYS B 25 6.163 5.104 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.267 7.714 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.452 7.704 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.365 8.188 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.733 6.528 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS B 25 4.318 5.886 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS B 25 3.737 7.539 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.142 6.632 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.356 6.911 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.476 4.672 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.124 4.624 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 2.947 4.354 -9.786 1.00 0.00 H new ATOM 1753 N GLU B 26 9.321 5.484 -9.233 1.00 0.00 N ATOM 1754 CA GLU B 26 10.383 5.013 -10.126 1.00 0.00 C ATOM 1755 C GLU B 26 11.756 5.441 -9.609 1.00 0.00 C ATOM 1756 O GLU B 26 11.853 6.200 -8.646 1.00 0.00 O ATOM 1757 CB GLU B 26 10.172 5.552 -11.546 1.00 0.00 C ATOM 1758 CG GLU B 26 10.094 4.463 -12.606 1.00 0.00 C ATOM 1759 CD GLU B 26 10.401 4.979 -13.999 1.00 0.00 C ATOM 1760 OE1 GLU B 26 9.648 5.846 -14.491 1.00 0.00 O ATOM 1761 OE2 GLU B 26 11.394 4.515 -14.598 1.00 0.00 O ATOM 0 H GLU B 26 9.655 6.040 -8.446 1.00 0.00 H new ATOM 0 HA GLU B 26 10.342 3.924 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.253 6.138 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU B 26 10.989 6.230 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.795 3.667 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.096 4.024 -12.597 1.00 0.00 H new ATOM 1768 N ILE B 27 12.814 4.954 -10.256 1.00 0.00 N ATOM 1769 CA ILE B 27 14.181 5.297 -9.858 1.00 0.00 C ATOM 1770 C ILE B 27 15.051 5.579 -11.082 1.00 0.00 C ATOM 1771 O ILE B 27 14.997 4.849 -12.074 1.00 0.00 O ATOM 1772 CB ILE B 27 14.834 4.178 -9.015 1.00 0.00 C ATOM 1773 CG1 ILE B 27 13.927 3.783 -7.844 1.00 0.00 C ATOM 1774 CG2 ILE B 27 16.197 4.624 -8.496 1.00 0.00 C ATOM 1775 CD1 ILE B 27 13.236 2.453 -8.033 1.00 0.00 C ATOM 0 H ILE B 27 12.753 4.323 -11.055 1.00 0.00 H new ATOM 0 HA ILE B 27 14.113 6.196 -9.245 1.00 0.00 H new ATOM 0 HB ILE B 27 14.972 3.307 -9.656 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.522 3.747 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE B 27 13.173 4.557 -7.703 1.00 0.00 H new ATOM 0 HG21 ILE B 27 16.641 3.823 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.848 4.857 -9.338 1.00 0.00 H new ATOM 0 HG23 ILE B 27 16.077 5.511 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.612 2.241 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE B 27 12.614 2.490 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE B 27 13.983 1.667 -8.144 1.00 0.00 H new ATOM 1787 N SER B 28 15.852 6.641 -11.002 1.00 0.00 N ATOM 1788 CA SER B 28 16.737 7.024 -12.100 1.00 0.00 C ATOM 1789 C SER B 28 18.002 6.168 -12.114 1.00 0.00 C ATOM 1790 O SER B 28 18.410 5.626 -11.084 1.00 0.00 O ATOM 1791 CB SER B 28 17.113 8.504 -11.991 1.00 0.00 C ATOM 1792 OG SER B 28 16.202 9.315 -12.711 1.00 0.00 O ATOM 0 H SER B 28 15.906 7.252 -10.187 1.00 0.00 H new ATOM 0 HA SER B 28 16.200 6.858 -13.034 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.122 8.804 -10.943 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.122 8.656 -12.375 1.00 0.00 H new ATOM 0 HG SER B 28 16.463 10.256 -12.625 1.00 0.00 H new ATOM 1798 N GLN B 29 18.623 6.060 -13.290 1.00 0.00 N ATOM 1799 CA GLN B 29 19.846 5.276 -13.443 1.00 0.00 C ATOM 1800 C GLN B 29 21.059 6.056 -12.939 1.00 0.00 C ATOM 1801 O GLN B 29 21.021 7.284 -12.840 1.00 0.00 O ATOM 1802 CB GLN B 29 20.050 4.870 -14.907 1.00 0.00 C ATOM 1803 CG GLN B 29 20.269 6.045 -15.854 1.00 0.00 C ATOM 1804 CD GLN B 29 21.401 5.806 -16.841 1.00 0.00 C ATOM 1805 OE1 GLN B 29 22.270 4.960 -16.619 1.00 0.00 O ATOM 1806 NE2 GLN B 29 21.399 6.552 -17.941 1.00 0.00 N ATOM 0 H GLN B 29 18.298 6.506 -14.148 1.00 0.00 H new ATOM 0 HA GLN B 29 19.742 4.373 -12.842 1.00 0.00 H new ATOM 0 HB2 GLN B 29 20.908 4.201 -14.971 1.00 0.00 H new ATOM 0 HB3 GLN B 29 19.180 4.305 -15.241 1.00 0.00 H new ATOM 0 HG2 GLN B 29 19.348 6.238 -16.405 1.00 0.00 H new ATOM 0 HG3 GLN B 29 20.485 6.940 -15.271 1.00 0.00 H new ATOM 0 HE21 GLN B 29 20.662 7.242 -18.088 1.00 0.00 H new ATOM 0 HE22 GLN B 29 22.134 6.435 -18.638 1.00 0.00 H new ATOM 1815 N ASP B 30 22.132 5.330 -12.617 1.00 0.00 N ATOM 1816 CA ASP B 30 23.361 5.944 -12.112 1.00 0.00 C ATOM 1817 C ASP B 30 23.098 6.738 -10.828 1.00 0.00 C ATOM 1818 O ASP B 30 23.772 7.734 -10.550 1.00 0.00 O ATOM 1819 CB ASP B 30 23.982 6.856 -13.179 1.00 0.00 C ATOM 1820 CG ASP B 30 25.469 6.609 -13.357 1.00 0.00 C ATOM 1821 OD1 ASP B 30 26.221 6.762 -12.371 1.00 0.00 O ATOM 1822 OD2 ASP B 30 25.880 6.265 -14.484 1.00 0.00 O ATOM 0 H ASP B 30 22.174 4.314 -12.697 1.00 0.00 H new ATOM 0 HA ASP B 30 24.062 5.143 -11.878 1.00 0.00 H new ATOM 0 HB2 ASP B 30 23.474 6.697 -14.130 1.00 0.00 H new ATOM 0 HB3 ASP B 30 23.820 7.898 -12.902 1.00 0.00 H new ATOM 1827 N SER B 31 22.113 6.291 -10.045 1.00 0.00 N ATOM 1828 CA SER B 31 21.765 6.958 -8.797 1.00 0.00 C ATOM 1829 C SER B 31 22.159 6.106 -7.594 1.00 0.00 C ATOM 1830 O SER B 31 22.559 4.948 -7.742 1.00 0.00 O ATOM 1831 CB SER B 31 20.263 7.258 -8.761 1.00 0.00 C ATOM 1832 OG SER B 31 19.972 8.487 -9.404 1.00 0.00 O ATOM 0 H SER B 31 21.545 5.470 -10.257 1.00 0.00 H new ATOM 0 HA SER B 31 22.318 7.896 -8.746 1.00 0.00 H new ATOM 0 HB2 SER B 31 19.716 6.451 -9.248 1.00 0.00 H new ATOM 0 HB3 SER B 31 19.921 7.295 -7.727 1.00 0.00 H new ATOM 0 HG SER B 31 19.246 8.355 -10.049 1.00 0.00 H new ATOM 1838 N LEU B 32 22.039 6.687 -6.400 1.00 0.00 N ATOM 1839 CA LEU B 32 22.378 5.985 -5.162 1.00 0.00 C ATOM 1840 C LEU B 32 21.534 4.721 -5.005 1.00 0.00 C ATOM 1841 O LEU B 32 22.048 3.671 -4.623 1.00 0.00 O ATOM 1842 CB LEU B 32 22.176 6.900 -3.948 1.00 0.00 C ATOM 1843 CG LEU B 32 22.847 8.273 -4.041 1.00 0.00 C ATOM 1844 CD1 LEU B 32 22.035 9.311 -3.283 1.00 0.00 C ATOM 1845 CD2 LEU B 32 24.268 8.209 -3.505 1.00 0.00 C ATOM 0 H LEU B 32 21.709 7.643 -6.264 1.00 0.00 H new ATOM 0 HA LEU B 32 23.428 5.699 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU B 32 21.106 7.047 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU B 32 22.554 6.389 -3.062 1.00 0.00 H new ATOM 0 HG LEU B 32 22.890 8.568 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU B 32 22.525 10.282 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU B 32 21.035 9.375 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU B 32 21.962 9.022 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU B 32 24.729 9.194 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.249 7.894 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU B 32 24.845 7.493 -4.090 1.00 0.00 H new ATOM 1857 N ALA B 33 20.239 4.829 -5.314 1.00 0.00 N ATOM 1858 CA ALA B 33 19.325 3.692 -5.219 1.00 0.00 C ATOM 1859 C ALA B 33 19.693 2.604 -6.224 1.00 0.00 C ATOM 1860 O ALA B 33 19.704 1.417 -5.889 1.00 0.00 O ATOM 1861 CB ALA B 33 17.888 4.146 -5.436 1.00 0.00 C ATOM 0 H ALA B 33 19.801 5.694 -5.632 1.00 0.00 H new ATOM 0 HA ALA B 33 19.415 3.272 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA B 33 17.220 3.288 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA B 33 17.620 4.881 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA B 33 17.794 4.595 -6.425 1.00 0.00 H new ATOM 1867 N ALA B 34 20.001 3.017 -7.456 1.00 0.00 N ATOM 1868 CA ALA B 34 20.380 2.079 -8.513 1.00 0.00 C ATOM 1869 C ALA B 34 21.621 1.276 -8.119 1.00 0.00 C ATOM 1870 O ALA B 34 21.722 0.088 -8.429 1.00 0.00 O ATOM 1871 CB ALA B 34 20.620 2.822 -9.820 1.00 0.00 C ATOM 0 H ALA B 34 19.995 3.995 -7.745 1.00 0.00 H new ATOM 0 HA ALA B 34 19.557 1.378 -8.654 1.00 0.00 H new ATOM 0 HB1 ALA B 34 20.901 2.111 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA B 34 19.708 3.341 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA B 34 21.423 3.547 -9.684 1.00 0.00 H new ATOM 1877 N ARG B 35 22.557 1.931 -7.432 1.00 0.00 N ATOM 1878 CA ARG B 35 23.786 1.278 -6.986 1.00 0.00 C ATOM 1879 C ARG B 35 23.540 0.449 -5.725 1.00 0.00 C ATOM 1880 O ARG B 35 24.078 -0.651 -5.583 1.00 0.00 O ATOM 1881 CB ARG B 35 24.876 2.320 -6.721 1.00 0.00 C ATOM 1882 CG ARG B 35 25.377 3.014 -7.977 1.00 0.00 C ATOM 1883 CD ARG B 35 26.688 2.412 -8.462 1.00 0.00 C ATOM 1884 NE ARG B 35 26.828 2.496 -9.917 1.00 0.00 N ATOM 1885 CZ ARG B 35 27.989 2.377 -10.568 1.00 0.00 C ATOM 1886 NH1 ARG B 35 29.122 2.166 -9.900 1.00 0.00 N ATOM 1887 NH2 ARG B 35 28.018 2.470 -11.894 1.00 0.00 N ATOM 0 H ARG B 35 22.487 2.915 -7.172 1.00 0.00 H new ATOM 0 HA ARG B 35 24.118 0.608 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG B 35 24.489 3.071 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG B 35 25.717 1.835 -6.225 1.00 0.00 H new ATOM 0 HG2 ARG B 35 24.626 2.933 -8.763 1.00 0.00 H new ATOM 0 HG3 ARG B 35 25.516 4.076 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG B 35 27.522 2.930 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG B 35 26.744 1.368 -8.153 1.00 0.00 H new ATOM 0 HE ARG B 35 25.985 2.656 -10.469 1.00 0.00 H new ATOM 0 HH11 ARG B 35 29.108 2.094 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG B 35 30.003 2.077 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG B 35 27.155 2.632 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG B 35 28.903 2.379 -12.392 1.00 0.00 H new ATOM 1901 N ASP B 36 22.723 0.982 -4.812 1.00 0.00 N ATOM 1902 CA ASP B 36 22.401 0.289 -3.564 1.00 0.00 C ATOM 1903 C ASP B 36 21.641 -1.013 -3.828 1.00 0.00 C ATOM 1904 O ASP B 36 21.820 -1.999 -3.112 1.00 0.00 O ATOM 1905 CB ASP B 36 21.567 1.192 -2.654 1.00 0.00 C ATOM 1906 CG ASP B 36 21.932 1.037 -1.191 1.00 0.00 C ATOM 1907 OD1 ASP B 36 22.861 1.736 -0.734 1.00 0.00 O ATOM 1908 OD2 ASP B 36 21.290 0.215 -0.503 1.00 0.00 O ATOM 0 H ASP B 36 22.273 1.892 -4.915 1.00 0.00 H new ATOM 0 HA ASP B 36 23.342 0.045 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP B 36 21.707 2.231 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP B 36 20.510 0.961 -2.788 1.00 0.00 H new ATOM 1913 N GLY B 37 20.786 -1.004 -4.854 1.00 0.00 N ATOM 1914 CA GLY B 37 20.007 -2.185 -5.186 1.00 0.00 C ATOM 1915 C GLY B 37 18.990 -2.530 -4.112 1.00 0.00 C ATOM 1916 O GLY B 37 18.754 -3.706 -3.829 1.00 0.00 O ATOM 0 H GLY B 37 20.621 -0.199 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY B 37 19.491 -2.022 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY B 37 20.679 -3.031 -5.331 1.00 0.00 H new ATOM 1920 N ASN B 38 18.395 -1.502 -3.507 1.00 0.00 N ATOM 1921 CA ASN B 38 17.403 -1.697 -2.451 1.00 0.00 C ATOM 1922 C ASN B 38 16.071 -1.042 -2.813 1.00 0.00 C ATOM 1923 O ASN B 38 15.011 -1.650 -2.650 1.00 0.00 O ATOM 1924 CB ASN B 38 17.925 -1.134 -1.126 1.00 0.00 C ATOM 1925 CG ASN B 38 18.699 -2.164 -0.326 1.00 0.00 C ATOM 1926 OD1 ASN B 38 18.249 -2.611 0.729 1.00 0.00 O ATOM 1927 ND2 ASN B 38 19.869 -2.547 -0.826 1.00 0.00 N ATOM 0 H ASN B 38 18.583 -0.525 -3.731 1.00 0.00 H new ATOM 0 HA ASN B 38 17.233 -2.768 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN B 38 18.567 -0.276 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN B 38 17.086 -0.772 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN B 38 20.433 -3.238 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN B 38 20.203 -2.150 -1.704 1.00 0.00 H new ATOM 1934 N ILE B 39 16.129 0.199 -3.302 1.00 0.00 N ATOM 1935 CA ILE B 39 14.927 0.933 -3.686 1.00 0.00 C ATOM 1936 C ILE B 39 14.486 0.554 -5.100 1.00 0.00 C ATOM 1937 O ILE B 39 15.191 0.831 -6.073 1.00 0.00 O ATOM 1938 CB ILE B 39 15.148 2.462 -3.621 1.00 0.00 C ATOM 1939 CG1 ILE B 39 15.786 2.859 -2.286 1.00 0.00 C ATOM 1940 CG2 ILE B 39 13.829 3.200 -3.821 1.00 0.00 C ATOM 1941 CD1 ILE B 39 16.094 4.336 -2.180 1.00 0.00 C ATOM 0 H ILE B 39 16.998 0.715 -3.440 1.00 0.00 H new ATOM 0 HA ILE B 39 14.148 0.659 -2.974 1.00 0.00 H new ATOM 0 HB ILE B 39 15.829 2.745 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE B 39 15.116 2.576 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE B 39 16.708 2.293 -2.150 1.00 0.00 H new ATOM 0 HG21 ILE B 39 14.003 4.275 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE B 39 13.413 2.943 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE B 39 13.128 2.910 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE B 39 16.544 4.545 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE B 39 16.788 4.621 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE B 39 15.172 4.908 -2.284 1.00 0.00 H new ATOM 1953 N GLN B 40 13.317 -0.079 -5.204 1.00 0.00 N ATOM 1954 CA GLN B 40 12.780 -0.495 -6.498 1.00 0.00 C ATOM 1955 C GLN B 40 11.432 0.172 -6.771 1.00 0.00 C ATOM 1956 O GLN B 40 10.755 0.623 -5.846 1.00 0.00 O ATOM 1957 CB GLN B 40 12.628 -2.017 -6.545 1.00 0.00 C ATOM 1958 CG GLN B 40 12.945 -2.625 -7.905 1.00 0.00 C ATOM 1959 CD GLN B 40 11.797 -3.445 -8.467 1.00 0.00 C ATOM 1960 OE1 GLN B 40 11.035 -4.063 -7.722 1.00 0.00 O ATOM 1961 NE2 GLN B 40 11.670 -3.459 -9.790 1.00 0.00 N ATOM 0 H GLN B 40 12.725 -0.314 -4.408 1.00 0.00 H new ATOM 0 HA GLN B 40 13.482 -0.182 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN B 40 13.284 -2.462 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN B 40 11.607 -2.279 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN B 40 13.192 -1.827 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN B 40 13.828 -3.258 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN B 40 12.323 -2.933 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN B 40 10.919 -3.996 -10.225 1.00 0.00 H new ATOM 1970 N GLU B 41 11.049 0.229 -8.047 1.00 0.00 N ATOM 1971 CA GLU B 41 9.778 0.837 -8.442 1.00 0.00 C ATOM 1972 C GLU B 41 8.603 0.071 -7.840 1.00 0.00 C ATOM 1973 O GLU B 41 8.471 -1.137 -8.042 1.00 0.00 O ATOM 1974 CB GLU B 41 9.651 0.873 -9.968 1.00 0.00 C ATOM 1975 CG GLU B 41 8.463 1.684 -10.463 1.00 0.00 C ATOM 1976 CD GLU B 41 7.682 0.976 -11.553 1.00 0.00 C ATOM 1977 OE1 GLU B 41 6.914 0.045 -11.226 1.00 0.00 O ATOM 1978 OE2 GLU B 41 7.835 1.352 -12.733 1.00 0.00 O ATOM 0 H GLU B 41 11.600 -0.138 -8.823 1.00 0.00 H new ATOM 0 HA GLU B 41 9.760 1.859 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.565 1.290 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.564 -0.148 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU B 41 7.799 1.895 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU B 41 8.816 2.644 -10.840 1.00 0.00 H new ATOM 1985 N GLY B 42 7.761 0.780 -7.091 1.00 0.00 N ATOM 1986 CA GLY B 42 6.612 0.151 -6.459 1.00 0.00 C ATOM 1987 C GLY B 42 6.818 -0.097 -4.971 1.00 0.00 C ATOM 1988 O GLY B 42 5.849 -0.305 -4.237 1.00 0.00 O ATOM 0 H GLY B 42 7.854 1.780 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.735 0.783 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.404 -0.797 -6.955 1.00 0.00 H new ATOM 1992 N ASP B 43 8.081 -0.075 -4.524 1.00 0.00 N ATOM 1993 CA ASP B 43 8.411 -0.298 -3.117 1.00 0.00 C ATOM 1994 C ASP B 43 7.649 0.674 -2.214 1.00 0.00 C ATOM 1995 O ASP B 43 7.817 1.893 -2.314 1.00 0.00 O ATOM 1996 CB ASP B 43 9.924 -0.148 -2.894 1.00 0.00 C ATOM 1997 CG ASP B 43 10.498 -1.181 -1.932 1.00 0.00 C ATOM 1998 OD1 ASP B 43 9.721 -1.978 -1.364 1.00 0.00 O ATOM 1999 OD2 ASP B 43 11.734 -1.189 -1.749 1.00 0.00 O ATOM 0 H ASP B 43 8.890 0.096 -5.121 1.00 0.00 H new ATOM 0 HA ASP B 43 8.112 -1.313 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP B 43 10.435 -0.232 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP B 43 10.130 0.851 -2.509 1.00 0.00 H new ATOM 2004 N VAL B 44 6.806 0.125 -1.340 1.00 0.00 N ATOM 2005 CA VAL B 44 6.010 0.935 -0.424 1.00 0.00 C ATOM 2006 C VAL B 44 6.798 1.262 0.844 1.00 0.00 C ATOM 2007 O VAL B 44 7.114 0.372 1.636 1.00 0.00 O ATOM 2008 CB VAL B 44 4.693 0.227 -0.035 1.00 0.00 C ATOM 2009 CG1 VAL B 44 3.790 1.167 0.749 1.00 0.00 C ATOM 2010 CG2 VAL B 44 3.976 -0.302 -1.270 1.00 0.00 C ATOM 0 H VAL B 44 6.658 -0.880 -1.248 1.00 0.00 H new ATOM 0 HA VAL B 44 5.769 1.859 -0.949 1.00 0.00 H new ATOM 0 HB VAL B 44 4.940 -0.622 0.602 1.00 0.00 H new ATOM 0 HG11 VAL B 44 2.868 0.649 1.013 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.300 1.487 1.658 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.554 2.039 0.138 1.00 0.00 H new ATOM 0 HG21 VAL B 44 3.052 -0.796 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL B 44 3.744 0.527 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL B 44 4.618 -1.016 -1.786 1.00 0.00 H new ATOM 2020 N VAL B 45 7.104 2.545 1.032 1.00 0.00 N ATOM 2021 CA VAL B 45 7.850 2.997 2.202 1.00 0.00 C ATOM 2022 C VAL B 45 6.911 3.325 3.361 1.00 0.00 C ATOM 2023 O VAL B 45 6.029 4.177 3.239 1.00 0.00 O ATOM 2024 CB VAL B 45 8.704 4.244 1.881 1.00 0.00 C ATOM 2025 CG1 VAL B 45 9.641 4.562 3.037 1.00 0.00 C ATOM 2026 CG2 VAL B 45 9.488 4.047 0.588 1.00 0.00 C ATOM 0 H VAL B 45 6.845 3.291 0.386 1.00 0.00 H new ATOM 0 HA VAL B 45 8.509 2.178 2.490 1.00 0.00 H new ATOM 0 HB VAL B 45 8.032 5.091 1.742 1.00 0.00 H new ATOM 0 HG11 VAL B 45 10.234 5.443 2.793 1.00 0.00 H new ATOM 0 HG12 VAL B 45 9.056 4.756 3.936 1.00 0.00 H new ATOM 0 HG13 VAL B 45 10.304 3.715 3.211 1.00 0.00 H new ATOM 0 HG21 VAL B 45 10.081 4.938 0.383 1.00 0.00 H new ATOM 0 HG22 VAL B 45 10.149 3.186 0.691 1.00 0.00 H new ATOM 0 HG23 VAL B 45 8.795 3.876 -0.235 1.00 0.00 H new ATOM 2036 N LEU B 46 7.114 2.647 4.488 1.00 0.00 N ATOM 2037 CA LEU B 46 6.298 2.863 5.681 1.00 0.00 C ATOM 2038 C LEU B 46 6.903 3.961 6.559 1.00 0.00 C ATOM 2039 O LEU B 46 6.195 4.862 7.016 1.00 0.00 O ATOM 2040 CB LEU B 46 6.176 1.560 6.481 1.00 0.00 C ATOM 2041 CG LEU B 46 4.941 0.706 6.173 1.00 0.00 C ATOM 2042 CD1 LEU B 46 3.671 1.425 6.601 1.00 0.00 C ATOM 2043 CD2 LEU B 46 4.882 0.347 4.694 1.00 0.00 C ATOM 0 H LEU B 46 7.840 1.940 4.601 1.00 0.00 H new ATOM 0 HA LEU B 46 5.305 3.181 5.364 1.00 0.00 H new ATOM 0 HB2 LEU B 46 7.066 0.958 6.299 1.00 0.00 H new ATOM 0 HB3 LEU B 46 6.170 1.806 7.543 1.00 0.00 H new ATOM 0 HG LEU B 46 5.020 -0.220 6.743 1.00 0.00 H new ATOM 0 HD11 LEU B 46 2.806 0.802 6.374 1.00 0.00 H new ATOM 0 HD12 LEU B 46 3.707 1.619 7.673 1.00 0.00 H new ATOM 0 HD13 LEU B 46 3.589 2.370 6.064 1.00 0.00 H new ATOM 0 HD21 LEU B 46 3.997 -0.259 4.502 1.00 0.00 H new ATOM 0 HD22 LEU B 46 4.833 1.259 4.100 1.00 0.00 H new ATOM 0 HD23 LEU B 46 5.774 -0.217 4.421 1.00 0.00 H new ATOM 2055 N LYS B 47 8.217 3.872 6.794 1.00 0.00 N ATOM 2056 CA LYS B 47 8.923 4.854 7.621 1.00 0.00 C ATOM 2057 C LYS B 47 10.245 5.274 6.973 1.00 0.00 C ATOM 2058 O LYS B 47 10.820 4.531 6.175 1.00 0.00 O ATOM 2059 CB LYS B 47 9.193 4.275 9.016 1.00 0.00 C ATOM 2060 CG LYS B 47 7.948 4.154 9.883 1.00 0.00 C ATOM 2061 CD LYS B 47 7.362 2.749 9.832 1.00 0.00 C ATOM 2062 CE LYS B 47 7.131 2.182 11.226 1.00 0.00 C ATOM 2063 NZ LYS B 47 8.118 1.119 11.571 1.00 0.00 N ATOM 0 H LYS B 47 8.811 3.131 6.423 1.00 0.00 H new ATOM 0 HA LYS B 47 8.288 5.735 7.710 1.00 0.00 H new ATOM 0 HB2 LYS B 47 9.647 3.290 8.909 1.00 0.00 H new ATOM 0 HB3 LYS B 47 9.920 4.907 9.527 1.00 0.00 H new ATOM 0 HG2 LYS B 47 8.196 4.408 10.914 1.00 0.00 H new ATOM 0 HG3 LYS B 47 7.200 4.873 9.549 1.00 0.00 H new ATOM 0 HD2 LYS B 47 6.419 2.768 9.286 1.00 0.00 H new ATOM 0 HD3 LYS B 47 8.036 2.094 9.280 1.00 0.00 H new ATOM 0 HE2 LYS B 47 7.194 2.986 11.959 1.00 0.00 H new ATOM 0 HE3 LYS B 47 6.122 1.773 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 7.923 0.762 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 8.041 0.339 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 9.079 1.514 11.538 1.00 0.00 H new ATOM 2077 N ILE B 48 10.725 6.467 7.328 1.00 0.00 N ATOM 2078 CA ILE B 48 11.981 6.986 6.786 1.00 0.00 C ATOM 2079 C ILE B 48 12.869 7.542 7.901 1.00 0.00 C ATOM 2080 O ILE B 48 12.447 8.418 8.653 1.00 0.00 O ATOM 2081 CB ILE B 48 11.729 8.082 5.724 1.00 0.00 C ATOM 2082 CG1 ILE B 48 10.682 7.610 4.709 1.00 0.00 C ATOM 2083 CG2 ILE B 48 13.025 8.448 5.013 1.00 0.00 C ATOM 2084 CD1 ILE B 48 10.193 8.702 3.780 1.00 0.00 C ATOM 0 H ILE B 48 10.263 7.092 7.989 1.00 0.00 H new ATOM 0 HA ILE B 48 12.494 6.152 6.306 1.00 0.00 H new ATOM 0 HB ILE B 48 11.350 8.970 6.230 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.106 6.802 4.113 1.00 0.00 H new ATOM 0 HG13 ILE B 48 9.830 7.195 5.247 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.827 9.220 4.270 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.746 8.821 5.740 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.431 7.565 4.519 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.455 8.291 3.092 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.738 9.501 4.365 1.00 0.00 H new ATOM 0 HD13 ILE B 48 11.034 9.102 3.214 1.00 0.00 H new ATOM 2096 N ASN B 49 14.094 7.009 8.001 1.00 0.00 N ATOM 2097 CA ASN B 49 15.067 7.420 9.025 1.00 0.00 C ATOM 2098 C ASN B 49 14.411 7.563 10.406 1.00 0.00 C ATOM 2099 O ASN B 49 14.710 8.495 11.156 1.00 0.00 O ATOM 2100 CB ASN B 49 15.777 8.726 8.621 1.00 0.00 C ATOM 2101 CG ASN B 49 14.843 9.924 8.527 1.00 0.00 C ATOM 2102 OD1 ASN B 49 14.495 10.537 9.534 1.00 0.00 O ATOM 2103 ND2 ASN B 49 14.441 10.268 7.312 1.00 0.00 N ATOM 0 H ASN B 49 14.439 6.281 7.375 1.00 0.00 H new ATOM 0 HA ASN B 49 15.816 6.631 9.095 1.00 0.00 H new ATOM 0 HB2 ASN B 49 16.561 8.943 9.347 1.00 0.00 H new ATOM 0 HB3 ASN B 49 16.266 8.581 7.658 1.00 0.00 H new ATOM 0 HD21 ASN B 49 13.820 11.068 7.188 1.00 0.00 H new ATOM 0 HD22 ASN B 49 14.753 9.733 6.501 1.00 0.00 H new ATOM 2110 N GLY B 50 13.519 6.628 10.734 1.00 0.00 N ATOM 2111 CA GLY B 50 12.834 6.666 12.017 1.00 0.00 C ATOM 2112 C GLY B 50 11.708 7.688 12.061 1.00 0.00 C ATOM 2113 O GLY B 50 11.471 8.311 13.096 1.00 0.00 O ATOM 0 H GLY B 50 13.259 5.845 10.134 1.00 0.00 H new ATOM 0 HA2 GLY B 50 12.429 5.678 12.235 1.00 0.00 H new ATOM 0 HA3 GLY B 50 13.556 6.895 12.801 1.00 0.00 H new ATOM 2117 N THR B 51 11.011 7.864 10.935 1.00 0.00 N ATOM 2118 CA THR B 51 9.905 8.817 10.853 1.00 0.00 C ATOM 2119 C THR B 51 8.805 8.275 9.946 1.00 0.00 C ATOM 2120 O THR B 51 9.053 7.956 8.781 1.00 0.00 O ATOM 2121 CB THR B 51 10.387 10.185 10.333 1.00 0.00 C ATOM 2122 OG1 THR B 51 11.789 10.338 10.496 1.00 0.00 O ATOM 2123 CG2 THR B 51 9.724 11.357 11.028 1.00 0.00 C ATOM 0 H THR B 51 11.194 7.358 10.069 1.00 0.00 H new ATOM 0 HA THR B 51 9.506 8.954 11.858 1.00 0.00 H new ATOM 0 HB THR B 51 10.112 10.193 9.278 1.00 0.00 H new ATOM 0 HG1 THR B 51 12.258 9.749 9.868 1.00 0.00 H new ATOM 0 HG21 THR B 51 10.108 12.290 10.615 1.00 0.00 H new ATOM 0 HG22 THR B 51 8.646 11.309 10.874 1.00 0.00 H new ATOM 0 HG23 THR B 51 9.940 11.317 12.096 1.00 0.00 H new ATOM 2131 N VAL B 52 7.592 8.170 10.485 1.00 0.00 N ATOM 2132 CA VAL B 52 6.454 7.665 9.721 1.00 0.00 C ATOM 2133 C VAL B 52 6.085 8.637 8.606 1.00 0.00 C ATOM 2134 O VAL B 52 5.988 9.842 8.836 1.00 0.00 O ATOM 2135 CB VAL B 52 5.213 7.425 10.614 1.00 0.00 C ATOM 2136 CG1 VAL B 52 4.162 6.619 9.860 1.00 0.00 C ATOM 2137 CG2 VAL B 52 5.602 6.716 11.906 1.00 0.00 C ATOM 0 H VAL B 52 7.372 8.428 11.447 1.00 0.00 H new ATOM 0 HA VAL B 52 6.760 6.709 9.296 1.00 0.00 H new ATOM 0 HB VAL B 52 4.788 8.395 10.873 1.00 0.00 H new ATOM 0 HG11 VAL B 52 3.296 6.459 10.502 1.00 0.00 H new ATOM 0 HG12 VAL B 52 3.856 7.165 8.968 1.00 0.00 H new ATOM 0 HG13 VAL B 52 4.581 5.656 9.570 1.00 0.00 H new ATOM 0 HG21 VAL B 52 4.713 6.559 12.517 1.00 0.00 H new ATOM 0 HG22 VAL B 52 6.055 5.753 11.670 1.00 0.00 H new ATOM 0 HG23 VAL B 52 6.316 7.328 12.456 1.00 0.00 H new ATOM 2147 N THR B 53 5.885 8.108 7.400 1.00 0.00 N ATOM 2148 CA THR B 53 5.528 8.937 6.247 1.00 0.00 C ATOM 2149 C THR B 53 4.066 8.744 5.849 1.00 0.00 C ATOM 2150 O THR B 53 3.667 9.092 4.737 1.00 0.00 O ATOM 2151 CB THR B 53 6.447 8.627 5.059 1.00 0.00 C ATOM 2152 OG1 THR B 53 7.659 8.027 5.489 1.00 0.00 O ATOM 2153 CG2 THR B 53 6.804 9.852 4.249 1.00 0.00 C ATOM 0 H THR B 53 5.964 7.112 7.195 1.00 0.00 H new ATOM 0 HA THR B 53 5.661 9.980 6.536 1.00 0.00 H new ATOM 0 HB THR B 53 5.877 7.943 4.430 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.608 7.057 5.359 1.00 0.00 H new ATOM 0 HG21 THR B 53 7.456 9.565 3.424 1.00 0.00 H new ATOM 0 HG22 THR B 53 5.895 10.304 3.853 1.00 0.00 H new ATOM 0 HG23 THR B 53 7.319 10.571 4.885 1.00 0.00 H new ATOM 2161 N GLU B 54 3.266 8.213 6.767 1.00 0.00 N ATOM 2162 CA GLU B 54 1.853 7.997 6.514 1.00 0.00 C ATOM 2163 C GLU B 54 1.076 9.291 6.712 1.00 0.00 C ATOM 2164 O GLU B 54 1.481 10.150 7.496 1.00 0.00 O ATOM 2165 CB GLU B 54 1.305 6.902 7.430 1.00 0.00 C ATOM 2166 CG GLU B 54 0.828 5.668 6.686 1.00 0.00 C ATOM 2167 CD GLU B 54 1.322 4.376 7.310 1.00 0.00 C ATOM 2168 OE1 GLU B 54 2.555 4.214 7.452 1.00 0.00 O ATOM 2169 OE2 GLU B 54 0.477 3.525 7.657 1.00 0.00 O ATOM 0 H GLU B 54 3.577 7.925 7.695 1.00 0.00 H new ATOM 0 HA GLU B 54 1.733 7.673 5.480 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.080 6.611 8.139 1.00 0.00 H new ATOM 0 HB3 GLU B 54 0.477 7.308 8.012 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -0.262 5.662 6.664 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.168 5.719 5.652 1.00 0.00 H new ATOM 2176 N ASN B 55 -0.026 9.422 5.979 1.00 0.00 N ATOM 2177 CA ASN B 55 -0.884 10.612 6.035 1.00 0.00 C ATOM 2178 C ASN B 55 -0.110 11.909 5.746 1.00 0.00 C ATOM 2179 O ASN B 55 -0.622 13.006 5.982 1.00 0.00 O ATOM 2180 CB ASN B 55 -1.613 10.699 7.390 1.00 0.00 C ATOM 2181 CG ASN B 55 -0.777 11.308 8.510 1.00 0.00 C ATOM 2182 OD1 ASN B 55 -0.524 12.510 8.534 1.00 0.00 O ATOM 2183 ND2 ASN B 55 -0.351 10.476 9.453 1.00 0.00 N ATOM 0 H ASN B 55 -0.353 8.709 5.328 1.00 0.00 H new ATOM 0 HA ASN B 55 -1.627 10.504 5.245 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -2.520 11.291 7.265 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -1.925 9.698 7.687 1.00 0.00 H new ATOM 0 HD21 ASN B 55 0.206 10.829 10.231 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -0.581 9.484 9.399 1.00 0.00 H new ATOM 2190 N MET B 56 1.113 11.786 5.219 1.00 0.00 N ATOM 2191 CA MET B 56 1.928 12.949 4.898 1.00 0.00 C ATOM 2192 C MET B 56 1.763 13.333 3.430 1.00 0.00 C ATOM 2193 O MET B 56 1.712 12.465 2.556 1.00 0.00 O ATOM 2194 CB MET B 56 3.401 12.660 5.202 1.00 0.00 C ATOM 2195 CG MET B 56 4.105 13.783 5.948 1.00 0.00 C ATOM 2196 SD MET B 56 5.382 13.181 7.070 1.00 0.00 S ATOM 2197 CE MET B 56 4.427 12.089 8.124 1.00 0.00 C ATOM 0 H MET B 56 1.555 10.891 5.008 1.00 0.00 H new ATOM 0 HA MET B 56 1.594 13.784 5.514 1.00 0.00 H new ATOM 0 HB2 MET B 56 3.468 11.746 5.792 1.00 0.00 H new ATOM 0 HB3 MET B 56 3.926 12.474 4.265 1.00 0.00 H new ATOM 0 HG2 MET B 56 4.553 14.467 5.227 1.00 0.00 H new ATOM 0 HG3 MET B 56 3.369 14.354 6.514 1.00 0.00 H new ATOM 0 HE1 MET B 56 4.965 11.922 9.057 1.00 0.00 H new ATOM 0 HE2 MET B 56 3.460 12.544 8.339 1.00 0.00 H new ATOM 0 HE3 MET B 56 4.274 11.136 7.617 1.00 0.00 H new ATOM 2207 N SER B 57 1.682 14.638 3.163 1.00 0.00 N ATOM 2208 CA SER B 57 1.525 15.134 1.797 1.00 0.00 C ATOM 2209 C SER B 57 2.707 14.709 0.929 1.00 0.00 C ATOM 2210 O SER B 57 3.844 14.646 1.405 1.00 0.00 O ATOM 2211 CB SER B 57 1.387 16.661 1.790 1.00 0.00 C ATOM 2212 OG SER B 57 0.542 17.102 2.840 1.00 0.00 O ATOM 0 H SER B 57 1.723 15.368 3.874 1.00 0.00 H new ATOM 0 HA SER B 57 0.616 14.699 1.382 1.00 0.00 H new ATOM 0 HB2 SER B 57 2.371 17.119 1.894 1.00 0.00 H new ATOM 0 HB3 SER B 57 0.983 16.988 0.832 1.00 0.00 H new ATOM 0 HG SER B 57 0.472 18.079 2.815 1.00 0.00 H new ATOM 2218 N LEU B 58 2.433 14.422 -0.344 1.00 0.00 N ATOM 2219 CA LEU B 58 3.478 14.007 -1.283 1.00 0.00 C ATOM 2220 C LEU B 58 4.622 15.021 -1.307 1.00 0.00 C ATOM 2221 O LEU B 58 5.784 14.653 -1.492 1.00 0.00 O ATOM 2222 CB LEU B 58 2.900 13.842 -2.692 1.00 0.00 C ATOM 2223 CG LEU B 58 3.909 13.426 -3.769 1.00 0.00 C ATOM 2224 CD1 LEU B 58 4.560 12.097 -3.414 1.00 0.00 C ATOM 2225 CD2 LEU B 58 3.234 13.345 -5.130 1.00 0.00 C ATOM 0 H LEU B 58 1.498 14.469 -0.749 1.00 0.00 H new ATOM 0 HA LEU B 58 3.870 13.047 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.104 13.098 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.441 14.784 -2.992 1.00 0.00 H new ATOM 0 HG LEU B 58 4.690 14.185 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU B 58 5.272 11.821 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU B 58 5.081 12.190 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU B 58 3.793 11.326 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.965 13.048 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.431 12.609 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU B 58 2.821 14.320 -5.390 1.00 0.00 H new ATOM 2237 N THR B 59 4.284 16.296 -1.110 1.00 0.00 N ATOM 2238 CA THR B 59 5.282 17.363 -1.099 1.00 0.00 C ATOM 2239 C THR B 59 6.119 17.300 0.177 1.00 0.00 C ATOM 2240 O THR B 59 7.339 17.459 0.134 1.00 0.00 O ATOM 2241 CB THR B 59 4.610 18.735 -1.208 1.00 0.00 C ATOM 2242 OG1 THR B 59 3.282 18.619 -1.689 1.00 0.00 O ATOM 2243 CG2 THR B 59 5.348 19.689 -2.122 1.00 0.00 C ATOM 0 H THR B 59 3.327 16.613 -0.956 1.00 0.00 H new ATOM 0 HA THR B 59 5.935 17.222 -1.960 1.00 0.00 H new ATOM 0 HB THR B 59 4.622 19.138 -0.195 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.876 19.509 -1.747 1.00 0.00 H new ATOM 0 HG21 THR B 59 4.820 20.642 -2.156 1.00 0.00 H new ATOM 0 HG22 THR B 59 6.358 19.847 -1.744 1.00 0.00 H new ATOM 0 HG23 THR B 59 5.398 19.266 -3.125 1.00 0.00 H new ATOM 2251 N ASP B 60 5.451 17.051 1.308 1.00 0.00 N ATOM 2252 CA ASP B 60 6.127 16.949 2.600 1.00 0.00 C ATOM 2253 C ASP B 60 7.155 15.820 2.579 1.00 0.00 C ATOM 2254 O ASP B 60 8.255 15.959 3.118 1.00 0.00 O ATOM 2255 CB ASP B 60 5.109 16.698 3.716 1.00 0.00 C ATOM 2256 CG ASP B 60 5.678 16.953 5.099 1.00 0.00 C ATOM 2257 OD1 ASP B 60 6.624 16.239 5.498 1.00 0.00 O ATOM 2258 OD2 ASP B 60 5.178 17.867 5.785 1.00 0.00 O ATOM 0 H ASP B 60 4.441 16.917 1.352 1.00 0.00 H new ATOM 0 HA ASP B 60 6.640 17.891 2.791 1.00 0.00 H new ATOM 0 HB2 ASP B 60 4.241 17.339 3.561 1.00 0.00 H new ATOM 0 HB3 ASP B 60 4.758 15.668 3.657 1.00 0.00 H new ATOM 2263 N ALA B 61 6.791 14.702 1.944 1.00 0.00 N ATOM 2264 CA ALA B 61 7.686 13.550 1.840 1.00 0.00 C ATOM 2265 C ALA B 61 8.997 13.940 1.163 1.00 0.00 C ATOM 2266 O ALA B 61 10.071 13.476 1.552 1.00 0.00 O ATOM 2267 CB ALA B 61 7.014 12.417 1.078 1.00 0.00 C ATOM 0 H ALA B 61 5.884 14.572 1.496 1.00 0.00 H new ATOM 0 HA ALA B 61 7.911 13.205 2.849 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.696 11.569 1.011 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.108 12.114 1.602 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.757 12.756 0.074 1.00 0.00 H new ATOM 2273 N LYS B 62 8.901 14.814 0.158 1.00 0.00 N ATOM 2274 CA LYS B 62 10.079 15.289 -0.566 1.00 0.00 C ATOM 2275 C LYS B 62 11.038 16.012 0.380 1.00 0.00 C ATOM 2276 O LYS B 62 12.257 15.937 0.219 1.00 0.00 O ATOM 2277 CB LYS B 62 9.664 16.226 -1.705 1.00 0.00 C ATOM 2278 CG LYS B 62 8.753 15.572 -2.734 1.00 0.00 C ATOM 2279 CD LYS B 62 9.498 15.249 -4.020 1.00 0.00 C ATOM 2280 CE LYS B 62 9.294 16.328 -5.072 1.00 0.00 C ATOM 2281 NZ LYS B 62 9.735 15.881 -6.424 1.00 0.00 N ATOM 0 H LYS B 62 8.019 15.206 -0.172 1.00 0.00 H new ATOM 0 HA LYS B 62 10.591 14.424 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.157 17.094 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS B 62 10.560 16.593 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.332 14.657 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.917 16.236 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS B 62 10.562 15.143 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.154 14.291 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.240 16.605 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.849 17.222 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.579 16.646 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.747 15.641 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.188 15.043 -6.708 1.00 0.00 H new ATOM 2295 N THR B 63 10.474 16.705 1.376 1.00 0.00 N ATOM 2296 CA THR B 63 11.271 17.436 2.359 1.00 0.00 C ATOM 2297 C THR B 63 12.123 16.482 3.195 1.00 0.00 C ATOM 2298 O THR B 63 13.281 16.777 3.490 1.00 0.00 O ATOM 2299 CB THR B 63 10.367 18.256 3.279 1.00 0.00 C ATOM 2300 OG1 THR B 63 9.099 18.476 2.689 1.00 0.00 O ATOM 2301 CG2 THR B 63 10.936 19.609 3.629 1.00 0.00 C ATOM 0 H THR B 63 9.466 16.773 1.520 1.00 0.00 H new ATOM 0 HA THR B 63 11.933 18.109 1.814 1.00 0.00 H new ATOM 0 HB THR B 63 10.283 17.660 4.188 1.00 0.00 H new ATOM 0 HG1 THR B 63 8.541 19.001 3.300 1.00 0.00 H new ATOM 0 HG21 THR B 63 10.243 20.137 4.284 1.00 0.00 H new ATOM 0 HG22 THR B 63 11.891 19.481 4.138 1.00 0.00 H new ATOM 0 HG23 THR B 63 11.086 20.188 2.717 1.00 0.00 H new ATOM 2309 N LEU B 64 11.546 15.334 3.566 1.00 0.00 N ATOM 2310 CA LEU B 64 12.266 14.333 4.355 1.00 0.00 C ATOM 2311 C LEU B 64 13.561 13.928 3.653 1.00 0.00 C ATOM 2312 O LEU B 64 14.576 13.660 4.303 1.00 0.00 O ATOM 2313 CB LEU B 64 11.393 13.097 4.589 1.00 0.00 C ATOM 2314 CG LEU B 64 10.597 13.103 5.896 1.00 0.00 C ATOM 2315 CD1 LEU B 64 9.334 12.266 5.753 1.00 0.00 C ATOM 2316 CD2 LEU B 64 11.453 12.594 7.046 1.00 0.00 C ATOM 0 H LEU B 64 10.587 15.077 3.333 1.00 0.00 H new ATOM 0 HA LEU B 64 12.511 14.776 5.320 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.695 13.001 3.757 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.030 12.213 4.574 1.00 0.00 H new ATOM 0 HG LEU B 64 10.305 14.129 6.118 1.00 0.00 H new ATOM 0 HD11 LEU B 64 8.780 12.281 6.691 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.713 12.678 4.958 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.604 11.239 5.507 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.870 12.606 7.967 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.777 11.575 6.835 1.00 0.00 H new ATOM 0 HD23 LEU B 64 12.326 13.236 7.162 1.00 0.00 H new ATOM 2328 N ILE B 65 13.521 13.899 2.321 1.00 0.00 N ATOM 2329 CA ILE B 65 14.689 13.547 1.523 1.00 0.00 C ATOM 2330 C ILE B 65 15.729 14.670 1.552 1.00 0.00 C ATOM 2331 O ILE B 65 16.933 14.412 1.493 1.00 0.00 O ATOM 2332 CB ILE B 65 14.307 13.245 0.056 1.00 0.00 C ATOM 2333 CG1 ILE B 65 13.140 12.250 -0.002 1.00 0.00 C ATOM 2334 CG2 ILE B 65 15.508 12.702 -0.703 1.00 0.00 C ATOM 2335 CD1 ILE B 65 12.555 12.076 -1.388 1.00 0.00 C ATOM 0 H ILE B 65 12.688 14.116 1.773 1.00 0.00 H new ATOM 0 HA ILE B 65 15.115 12.646 1.965 1.00 0.00 H new ATOM 0 HB ILE B 65 13.990 14.174 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE B 65 13.482 11.281 0.362 1.00 0.00 H new ATOM 0 HG13 ILE B 65 12.354 12.586 0.675 1.00 0.00 H new ATOM 0 HG21 ILE B 65 15.223 12.494 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE B 65 16.311 13.439 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE B 65 15.852 11.783 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE B 65 11.736 11.358 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE B 65 12.181 13.035 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE B 65 13.327 11.710 -2.065 1.00 0.00 H new ATOM 2347 N GLU B 66 15.260 15.918 1.650 1.00 0.00 N ATOM 2348 CA GLU B 66 16.158 17.071 1.694 1.00 0.00 C ATOM 2349 C GLU B 66 16.793 17.211 3.076 1.00 0.00 C ATOM 2350 O GLU B 66 18.010 17.369 3.192 1.00 0.00 O ATOM 2351 CB GLU B 66 15.404 18.353 1.334 1.00 0.00 C ATOM 2352 CG GLU B 66 15.425 18.679 -0.151 1.00 0.00 C ATOM 2353 CD GLU B 66 15.109 20.135 -0.428 1.00 0.00 C ATOM 2354 OE1 GLU B 66 15.977 20.992 -0.159 1.00 0.00 O ATOM 2355 OE2 GLU B 66 13.995 20.418 -0.914 1.00 0.00 O ATOM 0 H GLU B 66 14.269 16.153 1.700 1.00 0.00 H new ATOM 0 HA GLU B 66 16.949 16.910 0.962 1.00 0.00 H new ATOM 0 HB2 GLU B 66 14.369 18.259 1.662 1.00 0.00 H new ATOM 0 HB3 GLU B 66 15.838 19.186 1.886 1.00 0.00 H new ATOM 0 HG2 GLU B 66 16.407 18.439 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU B 66 14.702 18.048 -0.669 1.00 0.00 H new ATOM 2362 N ARG B 67 15.962 17.143 4.118 1.00 0.00 N ATOM 2363 CA ARG B 67 16.443 17.256 5.498 1.00 0.00 C ATOM 2364 C ARG B 67 17.391 16.109 5.865 1.00 0.00 C ATOM 2365 O ARG B 67 18.116 16.200 6.858 1.00 0.00 O ATOM 2366 CB ARG B 67 15.264 17.296 6.477 1.00 0.00 C ATOM 2367 CG ARG B 67 14.333 16.096 6.374 1.00 0.00 C ATOM 2368 CD ARG B 67 14.649 15.048 7.430 1.00 0.00 C ATOM 2369 NE ARG B 67 13.771 15.152 8.596 1.00 0.00 N ATOM 2370 CZ ARG B 67 13.816 14.322 9.641 1.00 0.00 C ATOM 2371 NH1 ARG B 67 14.689 13.319 9.666 1.00 0.00 N ATOM 2372 NH2 ARG B 67 12.984 14.493 10.662 1.00 0.00 N ATOM 0 H ARG B 67 14.954 17.010 4.034 1.00 0.00 H new ATOM 0 HA ARG B 67 17.002 18.189 5.572 1.00 0.00 H new ATOM 0 HB2 ARG B 67 15.651 17.356 7.494 1.00 0.00 H new ATOM 0 HB3 ARG B 67 14.689 18.205 6.301 1.00 0.00 H new ATOM 0 HG2 ARG B 67 13.300 16.426 6.486 1.00 0.00 H new ATOM 0 HG3 ARG B 67 14.420 15.652 5.382 1.00 0.00 H new ATOM 0 HD2 ARG B 67 14.552 14.054 6.993 1.00 0.00 H new ATOM 0 HD3 ARG B 67 15.686 15.157 7.748 1.00 0.00 H new ATOM 0 HE ARG B 67 13.083 15.904 8.611 1.00 0.00 H new ATOM 0 HH11 ARG B 67 15.329 13.180 8.884 1.00 0.00 H new ATOM 0 HH12 ARG B 67 14.718 12.688 10.467 1.00 0.00 H new ATOM 0 HH21 ARG B 67 12.310 15.259 10.648 1.00 0.00 H new ATOM 0 HH22 ARG B 67 13.019 13.859 11.460 1.00 0.00 H new ATOM 2386 N SER B 68 17.377 15.033 5.068 1.00 0.00 N ATOM 2387 CA SER B 68 18.238 13.883 5.318 1.00 0.00 C ATOM 2388 C SER B 68 19.689 14.316 5.522 1.00 0.00 C ATOM 2389 O SER B 68 20.329 14.831 4.601 1.00 0.00 O ATOM 2390 CB SER B 68 18.155 12.889 4.158 1.00 0.00 C ATOM 2391 OG SER B 68 19.096 11.839 4.318 1.00 0.00 O ATOM 0 H SER B 68 16.778 14.940 4.248 1.00 0.00 H new ATOM 0 HA SER B 68 17.889 13.399 6.230 1.00 0.00 H new ATOM 0 HB2 SER B 68 17.149 12.474 4.101 1.00 0.00 H new ATOM 0 HB3 SER B 68 18.340 13.407 3.217 1.00 0.00 H new ATOM 0 HG SER B 68 19.437 11.568 3.440 1.00 0.00 H new ATOM 2397 N LYS B 69 20.198 14.105 6.732 1.00 0.00 N ATOM 2398 CA LYS B 69 21.574 14.469 7.063 1.00 0.00 C ATOM 2399 C LYS B 69 22.556 13.454 6.474 1.00 0.00 C ATOM 2400 O LYS B 69 23.107 12.612 7.190 1.00 0.00 O ATOM 2401 CB LYS B 69 21.758 14.580 8.584 1.00 0.00 C ATOM 2402 CG LYS B 69 21.363 13.323 9.347 1.00 0.00 C ATOM 2403 CD LYS B 69 20.390 13.635 10.474 1.00 0.00 C ATOM 2404 CE LYS B 69 18.999 13.956 9.944 1.00 0.00 C ATOM 2405 NZ LYS B 69 18.314 12.748 9.399 1.00 0.00 N ATOM 0 H LYS B 69 19.678 13.683 7.502 1.00 0.00 H new ATOM 0 HA LYS B 69 21.783 15.444 6.623 1.00 0.00 H new ATOM 0 HB2 LYS B 69 22.802 14.810 8.798 1.00 0.00 H new ATOM 0 HB3 LYS B 69 21.165 15.418 8.952 1.00 0.00 H new ATOM 0 HG2 LYS B 69 20.909 12.608 8.661 1.00 0.00 H new ATOM 0 HG3 LYS B 69 22.255 12.850 9.756 1.00 0.00 H new ATOM 0 HD2 LYS B 69 20.334 12.784 11.152 1.00 0.00 H new ATOM 0 HD3 LYS B 69 20.763 14.480 11.053 1.00 0.00 H new ATOM 0 HE2 LYS B 69 18.396 14.384 10.745 1.00 0.00 H new ATOM 0 HE3 LYS B 69 19.075 14.713 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 17.986 12.942 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 18.979 11.948 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 17.499 12.511 10.000 1.00 0.00 H new ATOM 2419 N GLY B 70 22.767 13.535 5.160 1.00 0.00 N ATOM 2420 CA GLY B 70 23.676 12.622 4.491 1.00 0.00 C ATOM 2421 C GLY B 70 23.010 11.319 4.090 1.00 0.00 C ATOM 2422 O GLY B 70 22.455 11.210 2.996 1.00 0.00 O ATOM 0 H GLY B 70 22.322 14.219 4.548 1.00 0.00 H new ATOM 0 HA2 GLY B 70 24.082 13.106 3.603 1.00 0.00 H new ATOM 0 HA3 GLY B 70 24.518 12.407 5.149 1.00 0.00 H new ATOM 2426 N LYS B 71 23.063 10.329 4.979 1.00 0.00 N ATOM 2427 CA LYS B 71 22.464 9.025 4.713 1.00 0.00 C ATOM 2428 C LYS B 71 20.946 9.062 4.903 1.00 0.00 C ATOM 2429 O LYS B 71 20.434 9.799 5.750 1.00 0.00 O ATOM 2430 CB LYS B 71 23.075 7.962 5.628 1.00 0.00 C ATOM 2431 CG LYS B 71 24.359 7.352 5.084 1.00 0.00 C ATOM 2432 CD LYS B 71 25.459 7.335 6.134 1.00 0.00 C ATOM 2433 CE LYS B 71 25.293 6.171 7.102 1.00 0.00 C ATOM 2434 NZ LYS B 71 24.545 6.566 8.328 1.00 0.00 N ATOM 0 H LYS B 71 23.515 10.406 5.890 1.00 0.00 H new ATOM 0 HA LYS B 71 22.673 8.769 3.674 1.00 0.00 H new ATOM 0 HB2 LYS B 71 23.279 8.407 6.602 1.00 0.00 H new ATOM 0 HB3 LYS B 71 22.345 7.168 5.787 1.00 0.00 H new ATOM 0 HG2 LYS B 71 24.164 6.335 4.744 1.00 0.00 H new ATOM 0 HG3 LYS B 71 24.693 7.920 4.216 1.00 0.00 H new ATOM 0 HD2 LYS B 71 26.430 7.265 5.643 1.00 0.00 H new ATOM 0 HD3 LYS B 71 25.448 8.274 6.688 1.00 0.00 H new ATOM 0 HE2 LYS B 71 24.767 5.357 6.603 1.00 0.00 H new ATOM 0 HE3 LYS B 71 26.275 5.791 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 24.513 5.764 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 25.023 7.370 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 23.576 6.840 8.070 1.00 0.00 H new ATOM 2448 N LEU B 72 20.233 8.255 4.113 1.00 0.00 N ATOM 2449 CA LEU B 72 18.776 8.190 4.193 1.00 0.00 C ATOM 2450 C LEU B 72 18.305 6.756 4.427 1.00 0.00 C ATOM 2451 O LEU B 72 18.706 5.838 3.711 1.00 0.00 O ATOM 2452 CB LEU B 72 18.147 8.739 2.908 1.00 0.00 C ATOM 2453 CG LEU B 72 16.991 9.723 3.112 1.00 0.00 C ATOM 2454 CD1 LEU B 72 16.599 10.372 1.794 1.00 0.00 C ATOM 2455 CD2 LEU B 72 15.794 9.024 3.736 1.00 0.00 C ATOM 0 H LEU B 72 20.643 7.639 3.412 1.00 0.00 H new ATOM 0 HA LEU B 72 18.458 8.802 5.037 1.00 0.00 H new ATOM 0 HB2 LEU B 72 18.924 9.233 2.325 1.00 0.00 H new ATOM 0 HB3 LEU B 72 17.787 7.900 2.312 1.00 0.00 H new ATOM 0 HG LEU B 72 17.327 10.504 3.794 1.00 0.00 H new ATOM 0 HD11 LEU B 72 15.776 11.067 1.961 1.00 0.00 H new ATOM 0 HD12 LEU B 72 17.453 10.912 1.386 1.00 0.00 H new ATOM 0 HD13 LEU B 72 16.286 9.602 1.088 1.00 0.00 H new ATOM 0 HD21 LEU B 72 14.984 9.741 3.872 1.00 0.00 H new ATOM 0 HD22 LEU B 72 15.460 8.220 3.081 1.00 0.00 H new ATOM 0 HD23 LEU B 72 16.078 8.610 4.703 1.00 0.00 H new ATOM 2467 N LYS B 73 17.446 6.576 5.427 1.00 0.00 N ATOM 2468 CA LYS B 73 16.907 5.258 5.751 1.00 0.00 C ATOM 2469 C LYS B 73 15.448 5.156 5.312 1.00 0.00 C ATOM 2470 O LYS B 73 14.652 6.053 5.578 1.00 0.00 O ATOM 2471 CB LYS B 73 17.025 4.988 7.256 1.00 0.00 C ATOM 2472 CG LYS B 73 18.209 4.106 7.627 1.00 0.00 C ATOM 2473 CD LYS B 73 19.294 4.897 8.344 1.00 0.00 C ATOM 2474 CE LYS B 73 19.008 5.013 9.835 1.00 0.00 C ATOM 2475 NZ LYS B 73 20.057 5.796 10.547 1.00 0.00 N ATOM 0 H LYS B 73 17.108 7.328 6.028 1.00 0.00 H new ATOM 0 HA LYS B 73 17.487 4.507 5.214 1.00 0.00 H new ATOM 0 HB2 LYS B 73 17.113 5.939 7.781 1.00 0.00 H new ATOM 0 HB3 LYS B 73 16.107 4.515 7.605 1.00 0.00 H new ATOM 0 HG2 LYS B 73 17.870 3.291 8.266 1.00 0.00 H new ATOM 0 HG3 LYS B 73 18.623 3.654 6.726 1.00 0.00 H new ATOM 0 HD2 LYS B 73 20.258 4.412 8.194 1.00 0.00 H new ATOM 0 HD3 LYS B 73 19.367 5.893 7.908 1.00 0.00 H new ATOM 0 HE2 LYS B 73 18.038 5.489 9.982 1.00 0.00 H new ATOM 0 HE3 LYS B 73 18.943 4.016 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 19.823 5.850 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 20.979 5.329 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 20.103 6.756 10.150 1.00 0.00 H new ATOM 2489 N MET B 74 15.105 4.062 4.636 1.00 0.00 N ATOM 2490 CA MET B 74 13.740 3.847 4.158 1.00 0.00 C ATOM 2491 C MET B 74 13.266 2.433 4.487 1.00 0.00 C ATOM 2492 O MET B 74 13.855 1.453 4.035 1.00 0.00 O ATOM 2493 CB MET B 74 13.661 4.089 2.648 1.00 0.00 C ATOM 2494 CG MET B 74 13.222 5.498 2.277 1.00 0.00 C ATOM 2495 SD MET B 74 13.999 6.091 0.761 1.00 0.00 S ATOM 2496 CE MET B 74 13.330 4.940 -0.438 1.00 0.00 C ATOM 0 H MET B 74 15.754 3.309 4.406 1.00 0.00 H new ATOM 0 HA MET B 74 13.087 4.557 4.665 1.00 0.00 H new ATOM 0 HB2 MET B 74 14.638 3.894 2.206 1.00 0.00 H new ATOM 0 HB3 MET B 74 12.965 3.374 2.210 1.00 0.00 H new ATOM 0 HG2 MET B 74 12.139 5.517 2.157 1.00 0.00 H new ATOM 0 HG3 MET B 74 13.464 6.177 3.095 1.00 0.00 H new ATOM 0 HE1 MET B 74 13.334 5.400 -1.426 1.00 0.00 H new ATOM 0 HE2 MET B 74 13.941 4.037 -0.456 1.00 0.00 H new ATOM 0 HE3 MET B 74 12.308 4.681 -0.163 1.00 0.00 H new ATOM 2506 N VAL B 75 12.199 2.337 5.277 1.00 0.00 N ATOM 2507 CA VAL B 75 11.644 1.044 5.667 1.00 0.00 C ATOM 2508 C VAL B 75 10.440 0.683 4.802 1.00 0.00 C ATOM 2509 O VAL B 75 9.429 1.385 4.807 1.00 0.00 O ATOM 2510 CB VAL B 75 11.226 1.031 7.154 1.00 0.00 C ATOM 2511 CG1 VAL B 75 10.806 -0.369 7.584 1.00 0.00 C ATOM 2512 CG2 VAL B 75 12.358 1.548 8.034 1.00 0.00 C ATOM 0 H VAL B 75 11.701 3.141 5.660 1.00 0.00 H new ATOM 0 HA VAL B 75 12.430 0.303 5.518 1.00 0.00 H new ATOM 0 HB VAL B 75 10.369 1.694 7.274 1.00 0.00 H new ATOM 0 HG11 VAL B 75 10.516 -0.355 8.635 1.00 0.00 H new ATOM 0 HG12 VAL B 75 9.961 -0.698 6.978 1.00 0.00 H new ATOM 0 HG13 VAL B 75 11.640 -1.057 7.447 1.00 0.00 H new ATOM 0 HG21 VAL B 75 12.044 1.531 9.078 1.00 0.00 H new ATOM 0 HG22 VAL B 75 13.235 0.913 7.909 1.00 0.00 H new ATOM 0 HG23 VAL B 75 12.605 2.570 7.746 1.00 0.00 H new ATOM 2522 N VAL B 76 10.562 -0.415 4.057 1.00 0.00 N ATOM 2523 CA VAL B 76 9.486 -0.874 3.178 1.00 0.00 C ATOM 2524 C VAL B 76 8.966 -2.248 3.603 1.00 0.00 C ATOM 2525 O VAL B 76 9.585 -2.934 4.420 1.00 0.00 O ATOM 2526 CB VAL B 76 9.950 -0.944 1.707 1.00 0.00 C ATOM 2527 CG1 VAL B 76 10.293 0.443 1.185 1.00 0.00 C ATOM 2528 CG2 VAL B 76 11.136 -1.885 1.557 1.00 0.00 C ATOM 0 H VAL B 76 11.395 -1.004 4.044 1.00 0.00 H new ATOM 0 HA VAL B 76 8.681 -0.145 3.264 1.00 0.00 H new ATOM 0 HB VAL B 76 9.128 -1.339 1.111 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.618 0.371 0.147 1.00 0.00 H new ATOM 0 HG12 VAL B 76 9.413 1.083 1.246 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.095 0.870 1.787 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.445 -1.918 0.512 1.00 0.00 H new ATOM 0 HG22 VAL B 76 11.964 -1.527 2.169 1.00 0.00 H new ATOM 0 HG23 VAL B 76 10.850 -2.885 1.882 1.00 0.00 H new ATOM 2538 N GLN B 77 7.826 -2.646 3.034 1.00 0.00 N ATOM 2539 CA GLN B 77 7.220 -3.937 3.345 1.00 0.00 C ATOM 2540 C GLN B 77 7.610 -4.988 2.307 1.00 0.00 C ATOM 2541 O GLN B 77 7.310 -4.841 1.120 1.00 0.00 O ATOM 2542 CB GLN B 77 5.694 -3.813 3.410 1.00 0.00 C ATOM 2543 CG GLN B 77 5.164 -3.469 4.794 1.00 0.00 C ATOM 2544 CD GLN B 77 5.551 -4.496 5.844 1.00 0.00 C ATOM 2545 OE1 GLN B 77 5.262 -5.685 5.704 1.00 0.00 O ATOM 2546 NE2 GLN B 77 6.209 -4.042 6.906 1.00 0.00 N ATOM 0 H GLN B 77 7.306 -2.090 2.355 1.00 0.00 H new ATOM 0 HA GLN B 77 7.593 -4.255 4.319 1.00 0.00 H new ATOM 0 HB2 GLN B 77 5.371 -3.046 2.706 1.00 0.00 H new ATOM 0 HB3 GLN B 77 5.248 -4.753 3.084 1.00 0.00 H new ATOM 0 HG2 GLN B 77 5.544 -2.491 5.091 1.00 0.00 H new ATOM 0 HG3 GLN B 77 4.078 -3.390 4.753 1.00 0.00 H new ATOM 0 HE21 GLN B 77 6.429 -3.049 6.984 1.00 0.00 H new ATOM 0 HE22 GLN B 77 6.494 -4.687 7.643 1.00 0.00 H new