USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 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 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 GLN : amide:sc= -7.88! C(o=-14!,f=-26!) USER MOD Set 2.2: A 53 HIS : no HE2:sc= -6.13! C(o=-14!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.142 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 16:sc= 0.297 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0173 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 154:sc= -4.49! (180deg=-7.66!) USER MOD Single : A 26 GLN : amide:sc= -0.0596 K(o=-0.06,f=-0.62) USER MOD Single : A 27 ASN : amide:sc= -2.13 K(o=-2.1,f=-3.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 150:sc= -0.601 USER MOD Single : A 42 GLN : amide:sc= -0.0673 K(o=-0.067,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00826) USER MOD Single : A 52 GLN : amide:sc= -0.808 K(o=-0.81,f=-4.4!) USER MOD Single : A 55 SER OG : rot 55:sc= 1 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 96:sc= -0.547 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 67 SER OG : rot 108:sc= -1.28 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 91:sc= 1.08 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.426 F(o=-1.4,f=-0.43) USER MOD Single : A 91 SER OG : rot 180:sc= -0.164 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.94) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 42:sc= 1.03 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.316 -29.189 -10.314 1.00 0.00 N ATOM 2 CA GLY A 1 -6.000 -27.917 -10.473 1.00 0.00 C ATOM 3 C GLY A 1 -5.067 -26.749 -10.149 1.00 0.00 C ATOM 4 O GLY A 1 -3.870 -26.944 -9.942 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.490 -29.783 -11.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.294 -29.023 -10.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.674 -29.672 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.366 -27.822 -11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.871 -27.884 -9.818 1.00 0.00 H new ATOM 8 N SER A 2 -5.650 -25.559 -10.115 1.00 0.00 N ATOM 9 CA SER A 2 -4.885 -24.359 -9.819 1.00 0.00 C ATOM 10 C SER A 2 -5.611 -23.523 -8.764 1.00 0.00 C ATOM 11 O SER A 2 -6.363 -22.609 -9.100 1.00 0.00 O ATOM 12 CB SER A 2 -4.650 -23.531 -11.084 1.00 0.00 C ATOM 13 OG SER A 2 -4.017 -22.287 -10.797 1.00 0.00 O ATOM 0 H SER A 2 -6.643 -25.400 -10.287 1.00 0.00 H new ATOM 0 HA SER A 2 -3.913 -24.660 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.033 -24.100 -11.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.603 -23.347 -11.579 1.00 0.00 H new ATOM 0 HG SER A 2 -3.883 -21.788 -11.630 1.00 0.00 H new ATOM 19 N SER A 3 -5.361 -23.865 -7.508 1.00 0.00 N ATOM 20 CA SER A 3 -5.982 -23.157 -6.402 1.00 0.00 C ATOM 21 C SER A 3 -5.343 -23.589 -5.080 1.00 0.00 C ATOM 22 O SER A 3 -5.322 -24.775 -4.755 1.00 0.00 O ATOM 23 CB SER A 3 -7.491 -23.404 -6.367 1.00 0.00 C ATOM 24 OG SER A 3 -7.804 -24.749 -6.017 1.00 0.00 O ATOM 0 H SER A 3 -4.737 -24.623 -7.232 1.00 0.00 H new ATOM 0 HA SER A 3 -5.820 -22.089 -6.546 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.953 -22.726 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.919 -23.175 -7.343 1.00 0.00 H new ATOM 0 HG SER A 3 -7.013 -25.178 -5.629 1.00 0.00 H new ATOM 30 N GLY A 4 -4.837 -22.602 -4.354 1.00 0.00 N ATOM 31 CA GLY A 4 -4.200 -22.865 -3.076 1.00 0.00 C ATOM 32 C GLY A 4 -4.215 -21.618 -2.189 1.00 0.00 C ATOM 33 O GLY A 4 -4.965 -21.553 -1.216 1.00 0.00 O ATOM 0 H GLY A 4 -4.856 -21.619 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.715 -23.682 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.172 -23.188 -3.238 1.00 0.00 H new ATOM 37 N SER A 5 -3.377 -20.660 -2.556 1.00 0.00 N ATOM 38 CA SER A 5 -3.285 -19.419 -1.806 1.00 0.00 C ATOM 39 C SER A 5 -4.404 -18.466 -2.232 1.00 0.00 C ATOM 40 O SER A 5 -5.168 -17.987 -1.395 1.00 0.00 O ATOM 41 CB SER A 5 -1.920 -18.756 -2.003 1.00 0.00 C ATOM 42 OG SER A 5 -1.256 -18.524 -0.764 1.00 0.00 O ATOM 0 H SER A 5 -2.756 -20.718 -3.363 1.00 0.00 H new ATOM 0 HA SER A 5 -3.397 -19.651 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.297 -19.389 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.049 -17.810 -2.528 1.00 0.00 H new ATOM 0 HG SER A 5 -0.388 -18.101 -0.932 1.00 0.00 H new ATOM 48 N SER A 6 -4.464 -18.218 -3.532 1.00 0.00 N ATOM 49 CA SER A 6 -5.477 -17.331 -4.078 1.00 0.00 C ATOM 50 C SER A 6 -5.247 -15.904 -3.578 1.00 0.00 C ATOM 51 O SER A 6 -4.460 -15.683 -2.659 1.00 0.00 O ATOM 52 CB SER A 6 -6.883 -17.804 -3.706 1.00 0.00 C ATOM 53 OG SER A 6 -7.549 -18.417 -4.807 1.00 0.00 O ATOM 0 H SER A 6 -3.828 -18.616 -4.223 1.00 0.00 H new ATOM 0 HA SER A 6 -5.395 -17.346 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.820 -18.513 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.470 -16.955 -3.354 1.00 0.00 H new ATOM 0 HG SER A 6 -8.443 -18.707 -4.528 1.00 0.00 H new ATOM 59 N GLY A 7 -5.950 -14.971 -4.204 1.00 0.00 N ATOM 60 CA GLY A 7 -5.832 -13.571 -3.833 1.00 0.00 C ATOM 61 C GLY A 7 -5.846 -12.673 -5.072 1.00 0.00 C ATOM 62 O GLY A 7 -6.395 -13.045 -6.107 1.00 0.00 O ATOM 0 H GLY A 7 -6.603 -15.157 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.653 -13.296 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.908 -13.415 -3.277 1.00 0.00 H new ATOM 66 N MET A 8 -5.235 -11.506 -4.924 1.00 0.00 N ATOM 67 CA MET A 8 -5.170 -10.552 -6.018 1.00 0.00 C ATOM 68 C MET A 8 -3.869 -9.748 -5.967 1.00 0.00 C ATOM 69 O MET A 8 -3.103 -9.859 -5.012 1.00 0.00 O ATOM 70 CB MET A 8 -6.364 -9.598 -5.935 1.00 0.00 C ATOM 71 CG MET A 8 -6.594 -9.131 -4.497 1.00 0.00 C ATOM 72 SD MET A 8 -7.110 -7.423 -4.485 1.00 0.00 S ATOM 73 CE MET A 8 -8.868 -7.628 -4.721 1.00 0.00 C ATOM 0 H MET A 8 -4.781 -11.200 -4.063 1.00 0.00 H new ATOM 0 HA MET A 8 -5.198 -11.103 -6.958 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.190 -8.735 -6.578 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.259 -10.097 -6.307 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.353 -9.752 -4.021 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.678 -9.247 -3.917 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.349 -6.650 -4.738 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.051 -8.139 -5.666 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.278 -8.220 -3.903 1.00 0.00 H new ATOM 83 N THR A 9 -3.660 -8.955 -7.008 1.00 0.00 N ATOM 84 CA THR A 9 -2.466 -8.132 -7.094 1.00 0.00 C ATOM 85 C THR A 9 -2.843 -6.662 -7.286 1.00 0.00 C ATOM 86 O THR A 9 -3.127 -6.231 -8.403 1.00 0.00 O ATOM 87 CB THR A 9 -1.590 -8.686 -8.220 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.765 -9.653 -7.574 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.600 -7.650 -8.756 1.00 0.00 C ATOM 0 H THR A 9 -4.298 -8.865 -7.799 1.00 0.00 H new ATOM 0 HA THR A 9 -1.893 -8.170 -6.167 1.00 0.00 H new ATOM 0 HB THR A 9 -2.224 -9.036 -9.034 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.166 -10.064 -8.232 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.004 -8.095 -9.553 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.147 -6.793 -9.148 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.057 -7.323 -7.950 1.00 0.00 H new ATOM 97 N VAL A 10 -2.834 -5.933 -6.180 1.00 0.00 N ATOM 98 CA VAL A 10 -3.172 -4.520 -6.212 1.00 0.00 C ATOM 99 C VAL A 10 -1.895 -3.698 -6.395 1.00 0.00 C ATOM 100 O VAL A 10 -0.966 -3.801 -5.594 1.00 0.00 O ATOM 101 CB VAL A 10 -3.953 -4.139 -4.953 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.260 -2.641 -4.930 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.236 -4.965 -4.833 1.00 0.00 C ATOM 0 H VAL A 10 -2.598 -6.294 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.822 -4.303 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.327 -4.365 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.816 -2.397 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.327 -2.078 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.857 -2.378 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.772 -4.675 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.867 -4.785 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.983 -6.024 -4.780 1.00 0.00 H new ATOM 113 N ARG A 11 -1.888 -2.901 -7.453 1.00 0.00 N ATOM 114 CA ARG A 11 -0.739 -2.062 -7.751 1.00 0.00 C ATOM 115 C ARG A 11 -0.848 -0.730 -7.006 1.00 0.00 C ATOM 116 O ARG A 11 -1.945 -0.208 -6.817 1.00 0.00 O ATOM 117 CB ARG A 11 -0.629 -1.792 -9.252 1.00 0.00 C ATOM 118 CG ARG A 11 0.373 -2.743 -9.909 1.00 0.00 C ATOM 119 CD ARG A 11 0.487 -2.469 -11.410 1.00 0.00 C ATOM 120 NE ARG A 11 1.911 -2.427 -11.810 1.00 0.00 N ATOM 121 CZ ARG A 11 2.335 -2.431 -13.081 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.446 -2.476 -14.083 1.00 0.00 N ATOM 123 NH2 ARG A 11 3.647 -2.391 -13.350 1.00 0.00 N ATOM 0 H ARG A 11 -2.660 -2.818 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 11 0.154 -2.594 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.607 -1.910 -9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.319 -0.760 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.350 -2.628 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.061 -3.775 -9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.034 -3.245 -11.970 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.004 -1.522 -11.653 1.00 0.00 H new ATOM 0 HE ARG A 11 2.614 -2.393 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.447 -2.507 -13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.768 -2.479 -15.051 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.323 -2.358 -12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.970 -2.394 -14.318 1.00 0.00 H new ATOM 137 N VAL A 12 0.306 -0.218 -6.603 1.00 0.00 N ATOM 138 CA VAL A 12 0.355 1.043 -5.883 1.00 0.00 C ATOM 139 C VAL A 12 1.175 2.053 -6.687 1.00 0.00 C ATOM 140 O VAL A 12 2.344 2.290 -6.385 1.00 0.00 O ATOM 141 CB VAL A 12 0.900 0.819 -4.471 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.108 2.150 -3.746 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.018 -0.105 -3.669 1.00 0.00 C ATOM 0 H VAL A 12 1.214 -0.654 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.647 1.456 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 12 1.871 0.331 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.496 1.962 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.820 2.760 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.157 2.677 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.393 -0.248 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.009 0.343 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.093 -1.069 -4.172 1.00 0.00 H new ATOM 153 N CYS A 13 0.531 2.621 -7.697 1.00 0.00 N ATOM 154 CA CYS A 13 1.187 3.600 -8.547 1.00 0.00 C ATOM 155 C CYS A 13 1.436 4.863 -7.721 1.00 0.00 C ATOM 156 O CYS A 13 0.607 5.772 -7.704 1.00 0.00 O ATOM 157 CB CYS A 13 0.369 3.893 -9.806 1.00 0.00 C ATOM 158 SG CYS A 13 1.119 5.284 -10.730 1.00 0.00 S ATOM 0 H CYS A 13 -0.438 2.422 -7.945 1.00 0.00 H new ATOM 0 HA CYS A 13 2.140 3.202 -8.896 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.328 3.006 -10.438 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.658 4.138 -9.534 1.00 0.00 H new ATOM 0 HG CYS A 13 0.418 5.523 -11.798 1.00 0.00 H new ATOM 164 N LYS A 14 2.582 4.880 -7.055 1.00 0.00 N ATOM 165 CA LYS A 14 2.950 6.017 -6.229 1.00 0.00 C ATOM 166 C LYS A 14 2.506 7.309 -6.919 1.00 0.00 C ATOM 167 O LYS A 14 1.392 7.783 -6.699 1.00 0.00 O ATOM 168 CB LYS A 14 4.444 5.978 -5.900 1.00 0.00 C ATOM 169 CG LYS A 14 4.699 5.217 -4.597 1.00 0.00 C ATOM 170 CD LYS A 14 5.490 6.074 -3.607 1.00 0.00 C ATOM 171 CE LYS A 14 6.893 6.373 -4.140 1.00 0.00 C ATOM 172 NZ LYS A 14 7.750 6.921 -3.065 1.00 0.00 N ATOM 0 H LYS A 14 3.267 4.125 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 14 2.434 5.974 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.987 5.501 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.827 6.995 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.749 4.924 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.248 4.300 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.960 7.009 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.563 5.557 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.338 5.462 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.832 7.085 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.698 7.118 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.332 7.802 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.823 6.229 -2.292 1.00 0.00 H new ATOM 186 N MET A 15 3.399 7.841 -7.739 1.00 0.00 N ATOM 187 CA MET A 15 3.113 9.069 -8.463 1.00 0.00 C ATOM 188 C MET A 15 4.123 9.288 -9.591 1.00 0.00 C ATOM 189 O MET A 15 3.748 9.666 -10.700 1.00 0.00 O ATOM 190 CB MET A 15 3.161 10.254 -7.496 1.00 0.00 C ATOM 191 CG MET A 15 4.472 10.265 -6.707 1.00 0.00 C ATOM 192 SD MET A 15 5.638 11.376 -7.477 1.00 0.00 S ATOM 193 CE MET A 15 5.774 12.617 -6.200 1.00 0.00 C ATOM 0 H MET A 15 4.322 7.445 -7.919 1.00 0.00 H new ATOM 0 HA MET A 15 2.119 8.987 -8.902 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.059 11.186 -8.052 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.318 10.200 -6.807 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.285 10.576 -5.679 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.889 9.259 -6.665 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.469 13.393 -6.520 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.795 13.060 -6.017 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.141 12.156 -5.283 1.00 0.00 H new ATOM 203 N ASP A 16 5.384 9.042 -9.269 1.00 0.00 N ATOM 204 CA ASP A 16 6.451 9.208 -10.242 1.00 0.00 C ATOM 205 C ASP A 16 6.308 8.146 -11.335 1.00 0.00 C ATOM 206 O ASP A 16 6.658 8.388 -12.489 1.00 0.00 O ATOM 207 CB ASP A 16 7.824 9.033 -9.590 1.00 0.00 C ATOM 208 CG ASP A 16 8.947 9.864 -10.213 1.00 0.00 C ATOM 209 OD1 ASP A 16 8.607 10.843 -10.912 1.00 0.00 O ATOM 210 OD2 ASP A 16 10.119 9.502 -9.976 1.00 0.00 O ATOM 0 H ASP A 16 5.691 8.729 -8.348 1.00 0.00 H new ATOM 0 HA ASP A 16 6.375 10.213 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.744 9.292 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.101 7.980 -9.640 1.00 0.00 H new ATOM 215 N GLY A 17 5.795 6.993 -10.932 1.00 0.00 N ATOM 216 CA GLY A 17 5.601 5.894 -11.863 1.00 0.00 C ATOM 217 C GLY A 17 5.879 4.550 -11.188 1.00 0.00 C ATOM 218 O GLY A 17 5.388 3.514 -11.634 1.00 0.00 O ATOM 0 H GLY A 17 5.508 6.796 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.579 5.910 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.262 6.018 -12.721 1.00 0.00 H new ATOM 222 N GLU A 18 6.666 4.609 -10.124 1.00 0.00 N ATOM 223 CA GLU A 18 7.015 3.409 -9.383 1.00 0.00 C ATOM 224 C GLU A 18 5.772 2.815 -8.718 1.00 0.00 C ATOM 225 O GLU A 18 5.233 3.392 -7.774 1.00 0.00 O ATOM 226 CB GLU A 18 8.105 3.700 -8.349 1.00 0.00 C ATOM 227 CG GLU A 18 8.439 2.446 -7.538 1.00 0.00 C ATOM 228 CD GLU A 18 8.934 2.816 -6.138 1.00 0.00 C ATOM 229 OE1 GLU A 18 10.163 3.002 -6.001 1.00 0.00 O ATOM 230 OE2 GLU A 18 8.073 2.903 -5.236 1.00 0.00 O ATOM 0 H GLU A 18 7.072 5.470 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 18 7.413 2.676 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.002 4.062 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.774 4.493 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.555 1.813 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.202 1.866 -8.056 1.00 0.00 H new ATOM 237 N VAL A 19 5.353 1.670 -9.235 1.00 0.00 N ATOM 238 CA VAL A 19 4.183 0.992 -8.703 1.00 0.00 C ATOM 239 C VAL A 19 4.617 -0.310 -8.026 1.00 0.00 C ATOM 240 O VAL A 19 5.481 -1.021 -8.537 1.00 0.00 O ATOM 241 CB VAL A 19 3.154 0.773 -9.814 1.00 0.00 C ATOM 242 CG1 VAL A 19 3.796 0.108 -11.033 1.00 0.00 C ATOM 243 CG2 VAL A 19 1.964 -0.044 -9.306 1.00 0.00 C ATOM 0 H VAL A 19 5.803 1.194 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 19 3.698 1.607 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 19 2.782 1.750 -10.123 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.043 -0.036 -11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.594 0.744 -11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.209 -0.858 -10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.248 -0.185 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.313 -1.016 -8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.483 0.486 -8.484 1.00 0.00 H new ATOM 253 N MET A 20 3.998 -0.582 -6.887 1.00 0.00 N ATOM 254 CA MET A 20 4.310 -1.785 -6.134 1.00 0.00 C ATOM 255 C MET A 20 3.114 -2.739 -6.105 1.00 0.00 C ATOM 256 O MET A 20 2.029 -2.366 -5.662 1.00 0.00 O ATOM 257 CB MET A 20 4.696 -1.407 -4.703 1.00 0.00 C ATOM 258 CG MET A 20 6.216 -1.299 -4.556 1.00 0.00 C ATOM 259 SD MET A 20 6.623 -0.444 -3.043 1.00 0.00 S ATOM 260 CE MET A 20 5.243 -0.938 -2.026 1.00 0.00 C ATOM 0 H MET A 20 3.282 0.010 -6.467 1.00 0.00 H new ATOM 0 HA MET A 20 5.143 -2.291 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.233 -0.457 -4.436 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.312 -2.155 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.661 -2.294 -4.552 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.635 -0.766 -5.409 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.534 -0.904 -0.976 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.407 -0.259 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.944 -1.953 -2.287 1.00 0.00 H new ATOM 270 N PRO A 21 3.359 -3.983 -6.596 1.00 0.00 N ATOM 271 CA PRO A 21 2.315 -4.993 -6.630 1.00 0.00 C ATOM 272 C PRO A 21 2.052 -5.558 -5.233 1.00 0.00 C ATOM 273 O PRO A 21 2.883 -6.283 -4.687 1.00 0.00 O ATOM 274 CB PRO A 21 2.814 -6.042 -7.611 1.00 0.00 C ATOM 275 CG PRO A 21 4.312 -5.817 -7.735 1.00 0.00 C ATOM 276 CD PRO A 21 4.632 -4.460 -7.129 1.00 0.00 C ATOM 0 HA PRO A 21 1.353 -4.593 -6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.599 -7.048 -7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.322 -5.938 -8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.860 -6.605 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.618 -5.850 -8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.383 -4.544 -6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.029 -3.775 -7.878 1.00 0.00 H new ATOM 284 N VAL A 22 0.894 -5.205 -4.695 1.00 0.00 N ATOM 285 CA VAL A 22 0.512 -5.669 -3.371 1.00 0.00 C ATOM 286 C VAL A 22 -0.496 -6.812 -3.507 1.00 0.00 C ATOM 287 O VAL A 22 -1.266 -6.854 -4.465 1.00 0.00 O ATOM 288 CB VAL A 22 -0.019 -4.499 -2.541 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.439 -4.963 -1.145 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.014 -3.373 -2.456 1.00 0.00 C ATOM 0 H VAL A 22 0.208 -4.604 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 22 1.378 -6.062 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.903 -4.106 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.813 -4.112 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.224 -5.714 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.420 -5.394 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.611 -2.554 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.924 -3.749 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.244 -3.014 -3.459 1.00 0.00 H new ATOM 300 N VAL A 23 -0.458 -7.710 -2.534 1.00 0.00 N ATOM 301 CA VAL A 23 -1.358 -8.850 -2.533 1.00 0.00 C ATOM 302 C VAL A 23 -2.315 -8.738 -1.344 1.00 0.00 C ATOM 303 O VAL A 23 -1.925 -8.284 -0.270 1.00 0.00 O ATOM 304 CB VAL A 23 -0.554 -10.152 -2.532 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.460 -11.356 -2.263 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.212 -10.324 -3.845 1.00 0.00 C ATOM 0 H VAL A 23 0.182 -7.671 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.964 -8.858 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 23 0.175 -10.095 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.864 -12.268 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.939 -11.241 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.223 -11.418 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.775 -11.257 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.492 -10.349 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.900 -9.489 -3.977 1.00 0.00 H new ATOM 316 N VAL A 24 -3.550 -9.159 -1.578 1.00 0.00 N ATOM 317 CA VAL A 24 -4.565 -9.111 -0.540 1.00 0.00 C ATOM 318 C VAL A 24 -5.632 -10.170 -0.827 1.00 0.00 C ATOM 319 O VAL A 24 -5.769 -10.627 -1.960 1.00 0.00 O ATOM 320 CB VAL A 24 -5.140 -7.697 -0.434 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.054 -6.692 -0.045 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.826 -7.285 -1.739 1.00 0.00 C ATOM 0 H VAL A 24 -3.870 -9.535 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.129 -9.343 0.431 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.893 -7.699 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.489 -5.695 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.630 -6.970 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.269 -6.694 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.226 -6.276 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.102 -7.308 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.639 -7.977 -1.957 1.00 0.00 H new ATOM 332 N VAL A 25 -6.360 -10.529 0.220 1.00 0.00 N ATOM 333 CA VAL A 25 -7.411 -11.525 0.095 1.00 0.00 C ATOM 334 C VAL A 25 -8.292 -11.183 -1.108 1.00 0.00 C ATOM 335 O VAL A 25 -8.350 -10.029 -1.531 1.00 0.00 O ATOM 336 CB VAL A 25 -8.197 -11.624 1.403 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.276 -11.980 2.572 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.961 -10.327 1.683 1.00 0.00 C ATOM 0 H VAL A 25 -6.243 -10.148 1.159 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.983 -12.511 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.926 -12.427 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.861 -12.044 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.798 -12.940 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.513 -11.210 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.512 -10.424 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.256 -9.499 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.660 -10.133 0.869 1.00 0.00 H new ATOM 348 N GLN A 26 -8.955 -12.206 -1.625 1.00 0.00 N ATOM 349 CA GLN A 26 -9.831 -12.028 -2.771 1.00 0.00 C ATOM 350 C GLN A 26 -10.911 -10.990 -2.458 1.00 0.00 C ATOM 351 O GLN A 26 -11.551 -10.462 -3.366 1.00 0.00 O ATOM 352 CB GLN A 26 -10.455 -13.358 -3.197 1.00 0.00 C ATOM 353 CG GLN A 26 -10.195 -13.637 -4.678 1.00 0.00 C ATOM 354 CD GLN A 26 -11.316 -14.487 -5.281 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.493 -14.264 -5.049 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.886 -15.472 -6.065 1.00 0.00 N ATOM 0 H GLN A 26 -8.904 -13.162 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.234 -11.661 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.043 -14.167 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.529 -13.336 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.116 -12.695 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.241 -14.152 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.886 -15.603 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.556 -16.096 -6.514 1.00 0.00 H new ATOM 365 N ASN A 27 -11.080 -10.730 -1.170 1.00 0.00 N ATOM 366 CA ASN A 27 -12.071 -9.765 -0.726 1.00 0.00 C ATOM 367 C ASN A 27 -11.475 -8.903 0.388 1.00 0.00 C ATOM 368 O ASN A 27 -11.961 -8.919 1.518 1.00 0.00 O ATOM 369 CB ASN A 27 -13.312 -10.467 -0.169 1.00 0.00 C ATOM 370 CG ASN A 27 -13.950 -11.372 -1.224 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.634 -11.316 -2.400 1.00 0.00 O ATOM 372 ND2 ASN A 27 -14.865 -12.206 -0.738 1.00 0.00 N ATOM 0 H ASN A 27 -10.547 -11.171 -0.420 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.356 -9.155 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.038 -11.058 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.036 -9.723 0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.350 -12.851 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.082 -12.201 0.259 1.00 0.00 H new ATOM 379 N ALA A 28 -10.430 -8.171 0.031 1.00 0.00 N ATOM 380 CA ALA A 28 -9.761 -7.304 0.987 1.00 0.00 C ATOM 381 C ALA A 28 -10.427 -5.927 0.972 1.00 0.00 C ATOM 382 O ALA A 28 -11.328 -5.677 0.172 1.00 0.00 O ATOM 383 CB ALA A 28 -8.269 -7.235 0.657 1.00 0.00 C ATOM 0 H ALA A 28 -10.030 -8.160 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.852 -7.703 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.767 -6.585 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.838 -8.235 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.137 -6.836 -0.349 1.00 0.00 H new ATOM 389 N THR A 29 -9.957 -5.068 1.864 1.00 0.00 N ATOM 390 CA THR A 29 -10.495 -3.722 1.964 1.00 0.00 C ATOM 391 C THR A 29 -9.362 -2.694 1.983 1.00 0.00 C ATOM 392 O THR A 29 -8.193 -3.052 1.846 1.00 0.00 O ATOM 393 CB THR A 29 -11.391 -3.661 3.202 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.476 -3.675 4.294 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.216 -4.936 3.391 1.00 0.00 C ATOM 0 H THR A 29 -9.209 -5.278 2.525 1.00 0.00 H new ATOM 0 HA THR A 29 -11.102 -3.474 1.093 1.00 0.00 H new ATOM 0 HB THR A 29 -12.060 -2.804 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.973 -3.636 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.834 -4.840 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.855 -5.088 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.547 -5.789 3.503 1.00 0.00 H new ATOM 403 N VAL A 30 -9.747 -1.438 2.154 1.00 0.00 N ATOM 404 CA VAL A 30 -8.778 -0.357 2.192 1.00 0.00 C ATOM 405 C VAL A 30 -7.731 -0.654 3.267 1.00 0.00 C ATOM 406 O VAL A 30 -6.532 -0.532 3.021 1.00 0.00 O ATOM 407 CB VAL A 30 -9.493 0.979 2.408 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.501 2.144 2.370 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.609 1.175 1.380 1.00 0.00 C ATOM 0 H VAL A 30 -10.717 -1.145 2.268 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.254 -0.280 1.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.949 0.960 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.035 3.082 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.757 2.015 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.003 2.167 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.101 2.132 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.185 1.164 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.337 0.369 1.475 1.00 0.00 H new ATOM 419 N LEU A 31 -8.222 -1.039 4.436 1.00 0.00 N ATOM 420 CA LEU A 31 -7.343 -1.355 5.550 1.00 0.00 C ATOM 421 C LEU A 31 -6.335 -2.420 5.112 1.00 0.00 C ATOM 422 O LEU A 31 -5.130 -2.173 5.105 1.00 0.00 O ATOM 423 CB LEU A 31 -8.160 -1.751 6.781 1.00 0.00 C ATOM 424 CG LEU A 31 -7.427 -1.683 8.122 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.576 -0.415 8.218 1.00 0.00 C ATOM 426 CD2 LEU A 31 -8.408 -1.804 9.290 1.00 0.00 C ATOM 0 H LEU A 31 -9.217 -1.139 4.636 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.771 -0.476 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.036 -1.104 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.524 -2.769 6.639 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.747 -2.533 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.066 -0.391 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.838 -0.411 7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.217 0.461 8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.861 -1.753 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.130 -0.989 9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.933 -2.757 9.227 1.00 0.00 H new ATOM 438 N ASP A 32 -6.865 -3.581 4.757 1.00 0.00 N ATOM 439 CA ASP A 32 -6.027 -4.684 4.319 1.00 0.00 C ATOM 440 C ASP A 32 -4.908 -4.144 3.426 1.00 0.00 C ATOM 441 O ASP A 32 -3.728 -4.332 3.721 1.00 0.00 O ATOM 442 CB ASP A 32 -6.833 -5.699 3.506 1.00 0.00 C ATOM 443 CG ASP A 32 -6.268 -7.121 3.506 1.00 0.00 C ATOM 444 OD1 ASP A 32 -6.596 -7.862 4.457 1.00 0.00 O ATOM 445 OD2 ASP A 32 -5.522 -7.435 2.553 1.00 0.00 O ATOM 0 H ASP A 32 -7.865 -3.782 4.764 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.622 -5.173 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.851 -5.728 3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.896 -5.349 2.476 1.00 0.00 H new ATOM 450 N LEU A 33 -5.317 -3.486 2.352 1.00 0.00 N ATOM 451 CA LEU A 33 -4.363 -2.918 1.414 1.00 0.00 C ATOM 452 C LEU A 33 -3.202 -2.293 2.189 1.00 0.00 C ATOM 453 O LEU A 33 -2.048 -2.673 1.998 1.00 0.00 O ATOM 454 CB LEU A 33 -5.062 -1.944 0.462 1.00 0.00 C ATOM 455 CG LEU A 33 -4.526 -1.905 -0.970 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.165 -1.209 -1.028 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.478 -3.310 -1.576 1.00 0.00 C ATOM 0 H LEU A 33 -6.296 -3.333 2.110 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.941 -3.699 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.121 -2.200 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.990 -0.941 0.883 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.214 -1.316 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.807 -1.195 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.264 -0.186 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.453 -1.749 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.093 -3.254 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.825 -3.943 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.482 -3.735 -1.590 1.00 0.00 H new ATOM 469 N LYS A 34 -3.548 -1.345 3.048 1.00 0.00 N ATOM 470 CA LYS A 34 -2.548 -0.664 3.853 1.00 0.00 C ATOM 471 C LYS A 34 -1.727 -1.700 4.623 1.00 0.00 C ATOM 472 O LYS A 34 -0.501 -1.616 4.668 1.00 0.00 O ATOM 473 CB LYS A 34 -3.207 0.387 4.749 1.00 0.00 C ATOM 474 CG LYS A 34 -3.481 1.676 3.971 1.00 0.00 C ATOM 475 CD LYS A 34 -4.942 2.106 4.120 1.00 0.00 C ATOM 476 CE LYS A 34 -5.047 3.450 4.844 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.661 3.272 6.179 1.00 0.00 N ATOM 0 H LYS A 34 -4.506 -1.033 3.204 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.854 -0.117 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.141 -0.006 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.560 0.602 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.826 2.469 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.248 1.525 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.405 2.182 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.494 1.346 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.056 3.892 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.644 4.143 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.725 4.193 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.614 2.870 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.076 2.627 6.747 1.00 0.00 H new ATOM 491 N LYS A 35 -2.436 -2.653 5.209 1.00 0.00 N ATOM 492 CA LYS A 35 -1.788 -3.704 5.975 1.00 0.00 C ATOM 493 C LYS A 35 -0.803 -4.452 5.074 1.00 0.00 C ATOM 494 O LYS A 35 0.273 -4.847 5.519 1.00 0.00 O ATOM 495 CB LYS A 35 -2.832 -4.610 6.631 1.00 0.00 C ATOM 496 CG LYS A 35 -3.766 -3.805 7.537 1.00 0.00 C ATOM 497 CD LYS A 35 -4.656 -4.731 8.368 1.00 0.00 C ATOM 498 CE LYS A 35 -4.329 -4.613 9.858 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.284 -5.408 10.663 1.00 0.00 N ATOM 0 H LYS A 35 -3.453 -2.720 5.169 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.210 -3.277 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.414 -5.117 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.332 -5.384 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.178 -3.170 8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.387 -3.145 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.704 -4.481 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.519 -5.762 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.312 -4.960 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.369 -3.567 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.048 -5.317 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.250 -5.059 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.226 -6.408 10.383 1.00 0.00 H new ATOM 513 N ALA A 36 -1.208 -4.624 3.824 1.00 0.00 N ATOM 514 CA ALA A 36 -0.374 -5.318 2.857 1.00 0.00 C ATOM 515 C ALA A 36 0.868 -4.475 2.564 1.00 0.00 C ATOM 516 O ALA A 36 1.975 -4.835 2.963 1.00 0.00 O ATOM 517 CB ALA A 36 -1.191 -5.611 1.597 1.00 0.00 C ATOM 0 H ALA A 36 -2.102 -4.295 3.459 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.036 -6.274 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.566 -6.131 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.046 -6.236 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.544 -4.674 1.166 1.00 0.00 H new ATOM 523 N ILE A 37 0.644 -3.370 1.868 1.00 0.00 N ATOM 524 CA ILE A 37 1.732 -2.473 1.517 1.00 0.00 C ATOM 525 C ILE A 37 2.694 -2.357 2.701 1.00 0.00 C ATOM 526 O ILE A 37 3.894 -2.163 2.513 1.00 0.00 O ATOM 527 CB ILE A 37 1.184 -1.128 1.036 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.343 -1.301 -0.231 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.312 -0.114 0.842 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.619 -0.125 -0.415 1.00 0.00 C ATOM 0 H ILE A 37 -0.275 -3.075 1.538 1.00 0.00 H new ATOM 0 HA ILE A 37 2.303 -2.876 0.680 1.00 0.00 H new ATOM 0 HB ILE A 37 0.525 -0.731 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.998 -1.379 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.221 -2.232 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.895 0.833 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.831 0.039 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.016 -0.490 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.205 -0.273 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.288 -0.065 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.050 0.801 -0.497 1.00 0.00 H new ATOM 542 N GLN A 38 2.131 -2.480 3.894 1.00 0.00 N ATOM 543 CA GLN A 38 2.924 -2.391 5.108 1.00 0.00 C ATOM 544 C GLN A 38 3.824 -3.621 5.246 1.00 0.00 C ATOM 545 O GLN A 38 5.043 -3.493 5.352 1.00 0.00 O ATOM 546 CB GLN A 38 2.028 -2.228 6.338 1.00 0.00 C ATOM 547 CG GLN A 38 2.031 -0.780 6.830 1.00 0.00 C ATOM 548 CD GLN A 38 1.131 -0.615 8.056 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.576 -0.633 9.192 1.00 0.00 O ATOM 550 NE2 GLN A 38 -0.157 -0.455 7.764 1.00 0.00 N ATOM 0 H GLN A 38 1.135 -2.641 4.046 1.00 0.00 H new ATOM 0 HA GLN A 38 3.557 -1.507 5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.010 -2.531 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.374 -2.887 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.049 -0.479 7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.689 -0.121 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.462 -0.450 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.839 -0.338 8.513 1.00 0.00 H new ATOM 559 N ARG A 39 3.189 -4.784 5.239 1.00 0.00 N ATOM 560 CA ARG A 39 3.918 -6.035 5.361 1.00 0.00 C ATOM 561 C ARG A 39 4.748 -6.291 4.102 1.00 0.00 C ATOM 562 O ARG A 39 5.533 -7.237 4.053 1.00 0.00 O ATOM 563 CB ARG A 39 2.962 -7.209 5.581 1.00 0.00 C ATOM 564 CG ARG A 39 3.113 -7.782 6.991 1.00 0.00 C ATOM 565 CD ARG A 39 1.918 -7.402 7.869 1.00 0.00 C ATOM 566 NE ARG A 39 1.962 -8.160 9.139 1.00 0.00 N ATOM 567 CZ ARG A 39 0.955 -8.204 10.022 1.00 0.00 C ATOM 568 NH1 ARG A 39 -0.180 -7.535 9.778 1.00 0.00 N ATOM 569 NH2 ARG A 39 1.083 -8.918 11.149 1.00 0.00 N ATOM 0 H ARG A 39 2.178 -4.886 5.151 1.00 0.00 H new ATOM 0 HA ARG A 39 4.578 -5.952 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.934 -6.880 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.161 -7.988 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.200 -8.867 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.033 -7.410 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.933 -6.332 8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.987 -7.613 7.342 1.00 0.00 H new ATOM 0 HE ARG A 39 2.811 -8.681 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.278 -6.992 8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.946 -7.569 10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.947 -9.428 11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.317 -8.952 11.821 1.00 0.00 H new ATOM 583 N TYR A 40 4.548 -5.431 3.114 1.00 0.00 N ATOM 584 CA TYR A 40 5.268 -5.552 1.859 1.00 0.00 C ATOM 585 C TYR A 40 6.618 -4.834 1.929 1.00 0.00 C ATOM 586 O TYR A 40 7.612 -5.321 1.393 1.00 0.00 O ATOM 587 CB TYR A 40 4.396 -4.868 0.804 1.00 0.00 C ATOM 588 CG TYR A 40 5.033 -4.805 -0.585 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.043 -3.899 -0.840 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.599 -5.652 -1.584 1.00 0.00 C ATOM 591 CE1 TYR A 40 6.644 -3.839 -2.147 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.199 -5.592 -2.891 1.00 0.00 C ATOM 593 CZ TYR A 40 6.192 -4.689 -3.109 1.00 0.00 C ATOM 594 OH TYR A 40 6.759 -4.632 -4.343 1.00 0.00 O ATOM 0 H TYR A 40 3.897 -4.647 3.158 1.00 0.00 H new ATOM 0 HA TYR A 40 5.461 -6.600 1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.446 -5.398 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.171 -3.854 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.382 -3.235 -0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.809 -6.361 -1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.435 -3.135 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.868 -6.250 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 40 6.726 -5.519 -4.759 1.00 0.00 H new ATOM 604 N VAL A 41 6.609 -3.689 2.596 1.00 0.00 N ATOM 605 CA VAL A 41 7.820 -2.900 2.744 1.00 0.00 C ATOM 606 C VAL A 41 8.498 -3.257 4.067 1.00 0.00 C ATOM 607 O VAL A 41 9.724 -3.329 4.142 1.00 0.00 O ATOM 608 CB VAL A 41 7.491 -1.410 2.623 1.00 0.00 C ATOM 609 CG1 VAL A 41 8.744 -0.555 2.825 1.00 0.00 C ATOM 610 CG2 VAL A 41 6.827 -1.102 1.280 1.00 0.00 C ATOM 0 H VAL A 41 5.782 -3.289 3.040 1.00 0.00 H new ATOM 0 HA VAL A 41 8.526 -3.130 1.946 1.00 0.00 H new ATOM 0 HB VAL A 41 6.782 -1.158 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.483 0.499 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.157 -0.743 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.486 -0.812 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.604 -0.037 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.501 -1.378 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.902 -1.672 1.192 1.00 0.00 H new ATOM 620 N GLN A 42 7.671 -3.472 5.080 1.00 0.00 N ATOM 621 CA GLN A 42 8.176 -3.821 6.397 1.00 0.00 C ATOM 622 C GLN A 42 8.952 -5.138 6.337 1.00 0.00 C ATOM 623 O GLN A 42 10.168 -5.154 6.521 1.00 0.00 O ATOM 624 CB GLN A 42 7.038 -3.902 7.417 1.00 0.00 C ATOM 625 CG GLN A 42 7.545 -3.608 8.830 1.00 0.00 C ATOM 626 CD GLN A 42 6.667 -4.290 9.881 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.664 -4.915 9.578 1.00 0.00 O ATOM 628 NE2 GLN A 42 7.098 -4.136 11.129 1.00 0.00 N ATOM 0 H GLN A 42 6.655 -3.411 5.015 1.00 0.00 H new ATOM 0 HA GLN A 42 8.857 -3.035 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.256 -3.190 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.589 -4.895 7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.574 -3.954 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.553 -2.531 9.001 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.946 -3.600 11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.581 -4.554 11.902 1.00 0.00 H new ATOM 637 N LEU A 43 8.217 -6.210 6.078 1.00 0.00 N ATOM 638 CA LEU A 43 8.822 -7.528 5.991 1.00 0.00 C ATOM 639 C LEU A 43 10.131 -7.433 5.206 1.00 0.00 C ATOM 640 O LEU A 43 11.113 -8.092 5.546 1.00 0.00 O ATOM 641 CB LEU A 43 7.828 -8.536 5.411 1.00 0.00 C ATOM 642 CG LEU A 43 7.921 -8.777 3.903 1.00 0.00 C ATOM 643 CD1 LEU A 43 9.224 -9.493 3.541 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.692 -9.530 3.391 1.00 0.00 C ATOM 0 H LEU A 43 7.209 -6.192 5.926 1.00 0.00 H new ATOM 0 HA LEU A 43 9.073 -7.899 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.968 -9.489 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.819 -8.196 5.643 1.00 0.00 H new ATOM 0 HG LEU A 43 7.936 -7.809 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.265 -9.652 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.073 -8.883 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.264 -10.455 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.784 -9.688 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.620 -10.494 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.795 -8.945 3.596 1.00 0.00 H new ATOM 656 N LYS A 44 10.104 -6.608 4.170 1.00 0.00 N ATOM 657 CA LYS A 44 11.277 -6.418 3.333 1.00 0.00 C ATOM 658 C LYS A 44 12.423 -5.870 4.185 1.00 0.00 C ATOM 659 O LYS A 44 13.384 -6.582 4.471 1.00 0.00 O ATOM 660 CB LYS A 44 10.937 -5.544 2.124 1.00 0.00 C ATOM 661 CG LYS A 44 11.506 -6.144 0.837 1.00 0.00 C ATOM 662 CD LYS A 44 10.881 -5.488 -0.397 1.00 0.00 C ATOM 663 CE LYS A 44 11.941 -5.205 -1.463 1.00 0.00 C ATOM 664 NZ LYS A 44 12.497 -6.471 -1.991 1.00 0.00 N ATOM 0 H LYS A 44 9.288 -6.063 3.891 1.00 0.00 H new ATOM 0 HA LYS A 44 11.611 -7.371 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.855 -5.444 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.339 -4.541 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.588 -6.010 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.317 -7.217 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.111 -6.140 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.391 -4.558 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.502 -4.627 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.741 -4.599 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.165 -6.263 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.993 -6.977 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.724 -7.064 -2.355 1.00 0.00 H new ATOM 678 N GLN A 45 12.283 -4.609 4.568 1.00 0.00 N ATOM 679 CA GLN A 45 13.295 -3.957 5.382 1.00 0.00 C ATOM 680 C GLN A 45 13.753 -4.889 6.505 1.00 0.00 C ATOM 681 O GLN A 45 14.930 -4.904 6.862 1.00 0.00 O ATOM 682 CB GLN A 45 12.775 -2.633 5.945 1.00 0.00 C ATOM 683 CG GLN A 45 12.576 -1.604 4.831 1.00 0.00 C ATOM 684 CD GLN A 45 12.532 -0.183 5.398 1.00 0.00 C ATOM 685 OE1 GLN A 45 12.659 0.041 6.590 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.344 0.760 4.480 1.00 0.00 N ATOM 0 H GLN A 45 11.484 -4.022 4.330 1.00 0.00 H new ATOM 0 HA GLN A 45 14.154 -3.733 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.831 -2.800 6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.479 -2.245 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.387 -1.685 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.649 -1.815 4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.245 0.503 3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.299 1.740 4.758 1.00 0.00 H new ATOM 695 N GLU A 46 12.800 -5.643 7.032 1.00 0.00 N ATOM 696 CA GLU A 46 13.091 -6.575 8.107 1.00 0.00 C ATOM 697 C GLU A 46 14.280 -7.463 7.733 1.00 0.00 C ATOM 698 O GLU A 46 15.261 -7.536 8.472 1.00 0.00 O ATOM 699 CB GLU A 46 11.862 -7.421 8.448 1.00 0.00 C ATOM 700 CG GLU A 46 11.489 -7.275 9.925 1.00 0.00 C ATOM 701 CD GLU A 46 12.022 -8.453 10.744 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.612 -9.592 10.433 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.828 -8.188 11.662 1.00 0.00 O ATOM 0 H GLU A 46 11.825 -5.627 6.734 1.00 0.00 H new ATOM 0 HA GLU A 46 13.355 -6.002 8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.021 -7.115 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.063 -8.468 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.895 -6.342 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.405 -7.218 10.026 1.00 0.00 H new ATOM 710 N ARG A 47 14.154 -8.114 6.587 1.00 0.00 N ATOM 711 CA ARG A 47 15.206 -8.994 6.106 1.00 0.00 C ATOM 712 C ARG A 47 16.301 -8.181 5.412 1.00 0.00 C ATOM 713 O ARG A 47 17.434 -8.642 5.285 1.00 0.00 O ATOM 714 CB ARG A 47 14.652 -10.031 5.127 1.00 0.00 C ATOM 715 CG ARG A 47 13.461 -10.776 5.733 1.00 0.00 C ATOM 716 CD ARG A 47 13.853 -12.196 6.143 1.00 0.00 C ATOM 717 NE ARG A 47 13.251 -12.529 7.454 1.00 0.00 N ATOM 718 CZ ARG A 47 13.382 -13.717 8.061 1.00 0.00 C ATOM 719 NH1 ARG A 47 14.095 -14.691 7.480 1.00 0.00 N ATOM 720 NH2 ARG A 47 12.801 -13.929 9.249 1.00 0.00 N ATOM 0 H ARG A 47 13.339 -8.050 5.977 1.00 0.00 H new ATOM 0 HA ARG A 47 15.625 -9.513 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.346 -9.538 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.435 -10.742 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.091 -10.232 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.646 -10.814 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.517 -12.907 5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.938 -12.280 6.200 1.00 0.00 H new ATOM 0 HE ARG A 47 12.702 -11.809 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.538 -14.529 6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.195 -15.595 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.259 -13.187 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.900 -14.833 9.711 1.00 0.00 H new ATOM 734 N GLU A 48 15.923 -6.986 4.981 1.00 0.00 N ATOM 735 CA GLU A 48 16.859 -6.106 4.303 1.00 0.00 C ATOM 736 C GLU A 48 17.558 -5.194 5.314 1.00 0.00 C ATOM 737 O GLU A 48 18.090 -4.148 4.948 1.00 0.00 O ATOM 738 CB GLU A 48 16.154 -5.285 3.221 1.00 0.00 C ATOM 739 CG GLU A 48 16.097 -6.054 1.900 1.00 0.00 C ATOM 740 CD GLU A 48 16.099 -5.096 0.707 1.00 0.00 C ATOM 741 OE1 GLU A 48 15.001 -4.599 0.376 1.00 0.00 O ATOM 742 OE2 GLU A 48 17.199 -4.881 0.153 1.00 0.00 O ATOM 0 H GLU A 48 14.982 -6.607 5.088 1.00 0.00 H new ATOM 0 HA GLU A 48 17.615 -6.720 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.143 -5.039 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.680 -4.342 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.950 -6.728 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.199 -6.672 1.873 1.00 0.00 H new ATOM 749 N GLY A 49 17.534 -5.626 6.567 1.00 0.00 N ATOM 750 CA GLY A 49 18.159 -4.862 7.633 1.00 0.00 C ATOM 751 C GLY A 49 17.500 -5.162 8.981 1.00 0.00 C ATOM 752 O GLY A 49 18.020 -5.951 9.768 1.00 0.00 O ATOM 0 H GLY A 49 17.092 -6.495 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.221 -5.101 7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.082 -3.797 7.415 1.00 0.00 H new ATOM 756 N GLY A 50 16.365 -4.516 9.205 1.00 0.00 N ATOM 757 CA GLY A 50 15.629 -4.703 10.444 1.00 0.00 C ATOM 758 C GLY A 50 15.543 -3.396 11.234 1.00 0.00 C ATOM 759 O GLY A 50 14.463 -2.999 11.669 1.00 0.00 O ATOM 0 H GLY A 50 15.937 -3.862 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.625 -5.065 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.117 -5.466 11.049 1.00 0.00 H new ATOM 763 N VAL A 51 16.696 -2.763 11.396 1.00 0.00 N ATOM 764 CA VAL A 51 16.765 -1.509 12.127 1.00 0.00 C ATOM 765 C VAL A 51 15.627 -0.594 11.668 1.00 0.00 C ATOM 766 O VAL A 51 15.585 -0.183 10.510 1.00 0.00 O ATOM 767 CB VAL A 51 18.147 -0.877 11.952 1.00 0.00 C ATOM 768 CG1 VAL A 51 18.178 0.046 10.733 1.00 0.00 C ATOM 769 CG2 VAL A 51 18.571 -0.129 13.217 1.00 0.00 C ATOM 0 H VAL A 51 17.590 -3.095 11.034 1.00 0.00 H new ATOM 0 HA VAL A 51 16.634 -1.681 13.195 1.00 0.00 H new ATOM 0 HB VAL A 51 18.864 -1.680 11.781 1.00 0.00 H new ATOM 0 HG11 VAL A 51 19.172 0.482 10.632 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.940 -0.527 9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.444 0.842 10.860 1.00 0.00 H new ATOM 0 HG21 VAL A 51 19.557 0.311 13.066 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.850 0.660 13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.608 -0.824 14.056 1.00 0.00 H new ATOM 779 N GLN A 52 14.733 -0.301 12.601 1.00 0.00 N ATOM 780 CA GLN A 52 13.599 0.557 12.308 1.00 0.00 C ATOM 781 C GLN A 52 14.071 1.855 11.649 1.00 0.00 C ATOM 782 O GLN A 52 15.052 2.456 12.085 1.00 0.00 O ATOM 783 CB GLN A 52 12.789 0.848 13.573 1.00 0.00 C ATOM 784 CG GLN A 52 13.690 1.382 14.689 1.00 0.00 C ATOM 785 CD GLN A 52 13.674 2.911 14.722 1.00 0.00 C ATOM 786 OE1 GLN A 52 13.242 3.574 13.793 1.00 0.00 O ATOM 787 NE2 GLN A 52 14.168 3.433 15.842 1.00 0.00 N ATOM 0 H GLN A 52 14.772 -0.643 13.561 1.00 0.00 H new ATOM 0 HA GLN A 52 12.945 0.035 11.610 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.009 1.576 13.350 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.290 -0.062 13.907 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.356 0.990 15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.710 1.029 14.538 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.513 2.821 16.581 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.201 4.445 15.961 1.00 0.00 H new ATOM 796 N HIS A 53 13.352 2.248 10.608 1.00 0.00 N ATOM 797 CA HIS A 53 13.686 3.463 9.884 1.00 0.00 C ATOM 798 C HIS A 53 12.594 3.763 8.855 1.00 0.00 C ATOM 799 O HIS A 53 12.888 3.988 7.681 1.00 0.00 O ATOM 800 CB HIS A 53 15.078 3.359 9.259 1.00 0.00 C ATOM 801 CG HIS A 53 15.105 2.624 7.940 1.00 0.00 C ATOM 802 ND1 HIS A 53 15.752 3.118 6.820 1.00 0.00 N ATOM 803 CD2 HIS A 53 14.560 1.428 7.574 1.00 0.00 C ATOM 804 CE1 HIS A 53 15.596 2.251 5.831 1.00 0.00 C ATOM 805 NE2 HIS A 53 14.857 1.205 6.300 1.00 0.00 N ATOM 0 H HIS A 53 12.540 1.747 10.249 1.00 0.00 H new ATOM 0 HA HIS A 53 13.726 4.304 10.576 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.475 4.363 9.112 1.00 0.00 H new ATOM 0 HB3 HIS A 53 15.743 2.853 9.959 1.00 0.00 H new ATOM 0 HD1 HIS A 53 16.262 4.000 6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.985 0.774 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.986 2.354 4.829 1.00 0.00 H new ATOM 813 N ILE A 54 11.358 3.758 9.331 1.00 0.00 N ATOM 814 CA ILE A 54 10.222 4.027 8.467 1.00 0.00 C ATOM 815 C ILE A 54 9.273 5.002 9.167 1.00 0.00 C ATOM 816 O ILE A 54 9.045 4.895 10.371 1.00 0.00 O ATOM 817 CB ILE A 54 9.553 2.719 8.038 1.00 0.00 C ATOM 818 CG1 ILE A 54 10.595 1.628 7.783 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.644 2.939 6.827 1.00 0.00 C ATOM 820 CD1 ILE A 54 9.924 0.280 7.516 1.00 0.00 C ATOM 0 H ILE A 54 11.118 3.572 10.305 1.00 0.00 H new ATOM 0 HA ILE A 54 10.550 4.508 7.545 1.00 0.00 H new ATOM 0 HB ILE A 54 8.920 2.375 8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.215 1.905 6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.257 1.544 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.181 1.994 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.868 3.661 7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.234 3.319 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.687 -0.477 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.324 -0.005 8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.282 0.361 6.639 1.00 0.00 H new ATOM 832 N SER A 55 8.746 5.931 8.383 1.00 0.00 N ATOM 833 CA SER A 55 7.827 6.924 8.913 1.00 0.00 C ATOM 834 C SER A 55 6.445 6.749 8.279 1.00 0.00 C ATOM 835 O SER A 55 6.021 7.574 7.471 1.00 0.00 O ATOM 836 CB SER A 55 8.348 8.341 8.669 1.00 0.00 C ATOM 837 OG SER A 55 8.090 8.783 7.338 1.00 0.00 O ATOM 0 H SER A 55 8.938 6.017 7.385 1.00 0.00 H new ATOM 0 HA SER A 55 7.747 6.776 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.880 9.026 9.376 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.421 8.371 8.859 1.00 0.00 H new ATOM 0 HG SER A 55 7.132 8.702 7.146 1.00 0.00 H new ATOM 843 N TRP A 56 5.782 5.671 8.670 1.00 0.00 N ATOM 844 CA TRP A 56 4.458 5.378 8.150 1.00 0.00 C ATOM 845 C TRP A 56 3.510 6.484 8.619 1.00 0.00 C ATOM 846 O TRP A 56 2.600 6.877 7.891 1.00 0.00 O ATOM 847 CB TRP A 56 4.000 3.980 8.572 1.00 0.00 C ATOM 848 CG TRP A 56 4.553 2.854 7.696 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.290 1.800 8.075 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.382 2.710 6.270 1.00 0.00 C ATOM 851 NE1 TRP A 56 5.605 0.992 7.002 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.036 1.563 5.870 1.00 0.00 C ATOM 853 CE3 TRP A 56 3.698 3.523 5.350 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.070 1.124 4.541 1.00 0.00 C ATOM 855 CZ3 TRP A 56 3.742 3.071 4.025 1.00 0.00 C ATOM 856 CH2 TRP A 56 4.395 1.919 3.606 1.00 0.00 C ATOM 0 H TRP A 56 6.137 4.990 9.341 1.00 0.00 H new ATOM 0 HA TRP A 56 4.466 5.365 7.060 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.303 3.806 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.911 3.943 8.549 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.598 1.608 9.092 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.155 0.133 7.034 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.180 4.425 5.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.588 0.222 4.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.232 3.660 3.277 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.382 1.637 2.563 1.00 0.00 H new ATOM 867 N SER A 57 3.756 6.954 9.834 1.00 0.00 N ATOM 868 CA SER A 57 2.936 8.007 10.409 1.00 0.00 C ATOM 869 C SER A 57 2.741 9.132 9.391 1.00 0.00 C ATOM 870 O SER A 57 1.612 9.451 9.021 1.00 0.00 O ATOM 871 CB SER A 57 3.564 8.554 11.692 1.00 0.00 C ATOM 872 OG SER A 57 2.595 8.746 12.720 1.00 0.00 O ATOM 0 H SER A 57 4.511 6.625 10.435 1.00 0.00 H new ATOM 0 HA SER A 57 1.964 7.584 10.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.333 7.865 12.042 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.059 9.501 11.478 1.00 0.00 H new ATOM 0 HG SER A 57 3.035 9.094 13.523 1.00 0.00 H new ATOM 878 N TYR A 58 3.858 9.704 8.967 1.00 0.00 N ATOM 879 CA TYR A 58 3.824 10.788 8.000 1.00 0.00 C ATOM 880 C TYR A 58 3.261 10.309 6.660 1.00 0.00 C ATOM 881 O TYR A 58 2.369 10.942 6.096 1.00 0.00 O ATOM 882 CB TYR A 58 5.278 11.223 7.802 1.00 0.00 C ATOM 883 CG TYR A 58 5.461 12.326 6.758 1.00 0.00 C ATOM 884 CD1 TYR A 58 5.353 13.651 7.128 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.733 11.996 5.446 1.00 0.00 C ATOM 886 CE1 TYR A 58 5.525 14.689 6.145 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.905 13.034 4.463 1.00 0.00 C ATOM 888 CZ TYR A 58 5.793 14.329 4.861 1.00 0.00 C ATOM 889 OH TYR A 58 5.955 15.310 3.933 1.00 0.00 O ATOM 0 H TYR A 58 4.793 9.437 9.276 1.00 0.00 H new ATOM 0 HA TYR A 58 3.190 11.600 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.676 11.570 8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.869 10.356 7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.140 13.909 8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.817 10.959 5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.443 15.730 6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.118 12.789 3.433 1.00 0.00 H new ATOM 0 HH TYR A 58 6.142 14.907 3.060 1.00 0.00 H new ATOM 899 N VAL A 59 3.803 9.196 6.190 1.00 0.00 N ATOM 900 CA VAL A 59 3.366 8.625 4.928 1.00 0.00 C ATOM 901 C VAL A 59 1.837 8.592 4.891 1.00 0.00 C ATOM 902 O VAL A 59 1.216 9.295 4.094 1.00 0.00 O ATOM 903 CB VAL A 59 3.999 7.246 4.729 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.368 6.519 3.540 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.515 7.358 4.563 1.00 0.00 C ATOM 0 H VAL A 59 4.542 8.674 6.661 1.00 0.00 H new ATOM 0 HA VAL A 59 3.699 9.243 4.094 1.00 0.00 H new ATOM 0 HB VAL A 59 3.803 6.655 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.836 5.542 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.300 6.391 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.518 7.106 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.940 6.364 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.741 7.975 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.946 7.815 5.454 1.00 0.00 H new ATOM 915 N TRP A 60 1.273 7.769 5.762 1.00 0.00 N ATOM 916 CA TRP A 60 -0.172 7.635 5.839 1.00 0.00 C ATOM 917 C TRP A 60 -0.761 9.020 6.115 1.00 0.00 C ATOM 918 O TRP A 60 -1.815 9.366 5.586 1.00 0.00 O ATOM 919 CB TRP A 60 -0.571 6.595 6.888 1.00 0.00 C ATOM 920 CG TRP A 60 -0.046 5.187 6.601 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.706 4.410 7.392 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.265 4.416 5.400 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.987 3.199 6.792 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.377 3.203 5.542 1.00 0.00 C ATOM 925 CE3 TRP A 60 -0.982 4.734 4.233 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.367 2.210 4.556 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.982 3.731 3.256 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.341 2.504 3.384 1.00 0.00 C ATOM 0 H TRP A 60 1.791 7.188 6.421 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.576 7.267 4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.203 6.917 7.862 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.658 6.560 6.954 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.049 4.695 8.375 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.540 2.441 7.192 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.492 5.677 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.878 1.268 4.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.518 3.924 2.338 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.389 1.781 2.583 1.00 0.00 H new ATOM 939 N ARG A 61 -0.054 9.773 6.945 1.00 0.00 N ATOM 940 CA ARG A 61 -0.494 11.113 7.298 1.00 0.00 C ATOM 941 C ARG A 61 0.050 12.131 6.294 1.00 0.00 C ATOM 942 O ARG A 61 0.520 13.200 6.681 1.00 0.00 O ATOM 943 CB ARG A 61 -0.026 11.493 8.704 1.00 0.00 C ATOM 944 CG ARG A 61 -0.764 12.734 9.210 1.00 0.00 C ATOM 945 CD ARG A 61 0.220 13.848 9.573 1.00 0.00 C ATOM 946 NE ARG A 61 0.002 14.280 10.971 1.00 0.00 N ATOM 947 CZ ARG A 61 0.829 15.092 11.644 1.00 0.00 C ATOM 948 NH1 ARG A 61 1.934 15.564 11.050 1.00 0.00 N ATOM 949 NH2 ARG A 61 0.552 15.431 12.910 1.00 0.00 N ATOM 0 H ARG A 61 0.820 9.481 7.383 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.584 11.122 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.198 10.660 9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.047 11.682 8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.454 13.089 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.363 12.474 10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.244 13.495 9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.090 14.694 8.898 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.830 13.939 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.145 15.305 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.564 16.182 11.562 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.289 15.071 13.362 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.182 16.049 13.422 1.00 0.00 H new ATOM 963 N THR A 62 -0.033 11.765 5.023 1.00 0.00 N ATOM 964 CA THR A 62 0.445 12.634 3.961 1.00 0.00 C ATOM 965 C THR A 62 -0.235 12.280 2.637 1.00 0.00 C ATOM 966 O THR A 62 -0.692 13.164 1.914 1.00 0.00 O ATOM 967 CB THR A 62 1.970 12.523 3.910 1.00 0.00 C ATOM 968 OG1 THR A 62 2.404 13.147 5.115 1.00 0.00 O ATOM 969 CG2 THR A 62 2.582 13.383 2.803 1.00 0.00 C ATOM 0 H THR A 62 -0.424 10.878 4.705 1.00 0.00 H new ATOM 0 HA THR A 62 0.187 13.675 4.155 1.00 0.00 H new ATOM 0 HB THR A 62 2.254 11.481 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.552 12.464 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.666 13.268 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.190 13.066 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.327 14.429 2.972 1.00 0.00 H new ATOM 977 N TYR A 63 -0.281 10.986 2.359 1.00 0.00 N ATOM 978 CA TYR A 63 -0.897 10.504 1.134 1.00 0.00 C ATOM 979 C TYR A 63 -1.999 9.487 1.438 1.00 0.00 C ATOM 980 O TYR A 63 -2.127 9.024 2.571 1.00 0.00 O ATOM 981 CB TYR A 63 0.216 9.812 0.346 1.00 0.00 C ATOM 982 CG TYR A 63 1.335 10.752 -0.108 1.00 0.00 C ATOM 983 CD1 TYR A 63 1.169 11.528 -1.237 1.00 0.00 C ATOM 984 CD2 TYR A 63 2.509 10.825 0.613 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.222 12.413 -1.663 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.562 11.710 0.186 1.00 0.00 C ATOM 987 CZ TYR A 63 3.367 12.461 -0.931 1.00 0.00 C ATOM 988 OH TYR A 63 4.361 13.296 -1.333 1.00 0.00 O ATOM 0 H TYR A 63 0.098 10.255 2.961 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.349 11.328 0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.646 9.023 0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.218 9.331 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.250 11.472 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.638 10.219 1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.105 13.025 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.486 11.776 0.741 1.00 0.00 H new ATOM 0 HH TYR A 63 5.118 13.226 -0.714 1.00 0.00 H new ATOM 998 N HIS A 64 -2.767 9.168 0.406 1.00 0.00 N ATOM 999 CA HIS A 64 -3.853 8.214 0.549 1.00 0.00 C ATOM 1000 C HIS A 64 -3.881 7.283 -0.664 1.00 0.00 C ATOM 1001 O HIS A 64 -3.104 7.456 -1.602 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.184 8.936 0.772 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.475 9.253 2.220 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -5.982 8.318 3.105 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.324 10.410 2.926 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.127 8.897 4.288 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -5.719 10.194 4.175 1.00 0.00 N ATOM 0 H HIS A 64 -2.658 9.553 -0.532 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.687 7.598 1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.182 9.864 0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.991 8.319 0.376 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.947 11.344 2.535 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.502 8.425 5.184 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.718 10.884 4.926 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.784 6.315 -0.607 1.00 0.00 N ATOM 1016 CA LEU A 65 -4.922 5.355 -1.690 1.00 0.00 C ATOM 1017 C LEU A 65 -6.131 5.733 -2.548 1.00 0.00 C ATOM 1018 O LEU A 65 -7.200 6.039 -2.022 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.982 3.930 -1.138 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.945 3.581 -0.068 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.108 2.134 0.403 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.526 3.865 -0.566 1.00 0.00 C ATOM 0 H LEU A 65 -5.427 6.175 0.172 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.047 5.384 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.975 3.765 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.866 3.234 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.118 4.222 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.359 1.912 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.104 1.999 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.977 1.459 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.809 3.608 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.326 3.267 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.432 4.923 -0.812 1.00 0.00 H new ATOM 1034 N THR A 66 -5.921 5.700 -3.856 1.00 0.00 N ATOM 1035 CA THR A 66 -6.980 6.035 -4.793 1.00 0.00 C ATOM 1036 C THR A 66 -7.121 4.940 -5.852 1.00 0.00 C ATOM 1037 O THR A 66 -6.269 4.059 -5.957 1.00 0.00 O ATOM 1038 CB THR A 66 -6.672 7.413 -5.382 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.517 7.499 -6.525 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.257 7.501 -5.957 1.00 0.00 C ATOM 0 H THR A 66 -5.033 5.446 -4.289 1.00 0.00 H new ATOM 0 HA THR A 66 -7.947 6.088 -4.294 1.00 0.00 H new ATOM 0 HB THR A 66 -6.798 8.173 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.383 8.363 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.090 8.499 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.531 7.303 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.140 6.763 -6.751 1.00 0.00 H new ATOM 1048 N SER A 67 -8.205 5.030 -6.609 1.00 0.00 N ATOM 1049 CA SER A 67 -8.469 4.058 -7.656 1.00 0.00 C ATOM 1050 C SER A 67 -9.823 4.345 -8.308 1.00 0.00 C ATOM 1051 O SER A 67 -10.839 4.441 -7.620 1.00 0.00 O ATOM 1052 CB SER A 67 -8.438 2.631 -7.104 1.00 0.00 C ATOM 1053 OG SER A 67 -9.476 1.824 -7.652 1.00 0.00 O ATOM 0 H SER A 67 -8.910 5.761 -6.518 1.00 0.00 H new ATOM 0 HA SER A 67 -7.685 4.145 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.472 2.178 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.536 2.660 -6.019 1.00 0.00 H new ATOM 0 HG SER A 67 -9.091 1.176 -8.278 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.794 4.475 -9.626 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.007 4.749 -10.378 1.00 0.00 C ATOM 1061 C ALA A 68 -11.262 6.258 -10.392 1.00 0.00 C ATOM 1062 O ALA A 68 -11.535 6.834 -11.444 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.173 3.967 -9.770 1.00 0.00 C ATOM 0 H ALA A 68 -8.950 4.396 -10.193 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.900 4.422 -11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.083 4.173 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.955 2.900 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.313 4.271 -8.733 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.165 6.854 -9.213 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.382 8.284 -9.077 1.00 0.00 C ATOM 1071 C GLY A 69 -11.776 8.645 -7.644 1.00 0.00 C ATOM 1072 O GLY A 69 -11.589 9.781 -7.212 1.00 0.00 O ATOM 0 H GLY A 69 -10.939 6.372 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.475 8.821 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.165 8.604 -9.765 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.316 7.656 -6.946 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.738 7.855 -5.570 1.00 0.00 C ATOM 1078 C GLU A 70 -11.546 7.713 -4.622 1.00 0.00 C ATOM 1079 O GLU A 70 -10.525 7.131 -4.986 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.857 6.882 -5.193 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.232 7.513 -5.417 1.00 0.00 C ATOM 1082 CD GLU A 70 -16.066 6.680 -6.393 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.860 6.859 -7.612 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.891 5.883 -5.896 1.00 0.00 O ATOM 0 H GLU A 70 -12.471 6.715 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.133 8.866 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.769 5.973 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.753 6.590 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.757 7.597 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.113 8.524 -5.806 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.714 8.254 -3.424 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.664 8.194 -2.422 1.00 0.00 C ATOM 1093 C LYS A 71 -10.945 7.035 -1.464 1.00 0.00 C ATOM 1094 O LYS A 71 -11.972 7.019 -0.787 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.513 9.547 -1.723 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.416 10.683 -2.743 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.945 11.978 -2.078 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.917 12.701 -2.951 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.595 13.574 -3.935 1.00 0.00 N ATOM 0 H LYS A 71 -12.562 8.736 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.701 7.994 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.364 9.717 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.621 9.539 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.723 10.405 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.388 10.842 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.799 12.631 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.507 11.753 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.253 13.297 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.295 11.972 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.883 14.057 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.210 12.998 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.169 14.281 -3.434 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.014 6.093 -1.436 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.148 4.933 -0.572 1.00 0.00 C ATOM 1115 C LEU A 72 -9.864 5.343 0.874 1.00 0.00 C ATOM 1116 O LEU A 72 -8.737 5.214 1.349 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.265 3.788 -1.071 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.218 3.589 -2.588 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.307 2.416 -2.959 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.626 3.425 -3.163 1.00 0.00 C ATOM 0 H LEU A 72 -9.163 6.110 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.169 4.553 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.249 3.958 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.613 2.862 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.789 4.485 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.291 2.296 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.296 2.613 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.684 1.503 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.564 3.285 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.105 2.556 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.214 4.317 -2.946 1.00 0.00 H new ATOM 1132 N THR A 73 -10.906 5.830 1.533 1.00 0.00 N ATOM 1133 CA THR A 73 -10.782 6.260 2.915 1.00 0.00 C ATOM 1134 C THR A 73 -11.653 5.391 3.824 1.00 0.00 C ATOM 1135 O THR A 73 -11.566 5.485 5.048 1.00 0.00 O ATOM 1136 CB THR A 73 -11.133 7.748 2.980 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.284 7.870 2.149 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.084 8.627 2.295 1.00 0.00 C ATOM 0 H THR A 73 -11.839 5.936 1.135 1.00 0.00 H new ATOM 0 HA THR A 73 -9.762 6.135 3.278 1.00 0.00 H new ATOM 0 HB THR A 73 -11.237 8.051 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.580 8.804 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.381 9.673 2.370 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.119 8.488 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.004 8.347 1.245 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.471 4.564 3.191 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.357 3.678 3.928 1.00 0.00 C ATOM 1148 C GLU A 74 -12.660 2.346 4.211 1.00 0.00 C ATOM 1149 O GLU A 74 -12.443 1.549 3.299 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.669 3.460 3.171 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.647 4.608 3.429 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.965 5.359 2.135 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.138 4.671 1.107 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -16.027 6.606 2.204 1.00 0.00 O ATOM 0 H GLU A 74 -12.539 4.488 2.176 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.599 4.149 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.468 3.382 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.119 2.517 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.567 4.216 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.220 5.297 4.158 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.329 2.145 5.478 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.661 0.923 5.892 1.00 0.00 C ATOM 1163 C ASP A 75 -12.681 -0.215 5.955 1.00 0.00 C ATOM 1164 O ASP A 75 -12.328 -1.380 5.781 1.00 0.00 O ATOM 1165 CB ASP A 75 -11.040 1.079 7.282 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.266 2.379 7.503 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -10.939 3.413 7.705 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -9.019 2.311 7.465 1.00 0.00 O ATOM 0 H ASP A 75 -12.511 2.808 6.232 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.876 0.706 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.833 1.015 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.368 0.239 7.459 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.927 0.163 6.203 1.00 0.00 N ATOM 1174 CA ARG A 76 -15.001 -0.812 6.291 1.00 0.00 C ATOM 1175 C ARG A 76 -15.497 -1.182 4.892 1.00 0.00 C ATOM 1176 O ARG A 76 -16.116 -2.229 4.705 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.171 -0.269 7.113 1.00 0.00 C ATOM 1178 CG ARG A 76 -16.000 -0.599 8.597 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.303 -2.074 8.869 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.276 -2.336 10.325 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.323 -2.150 11.141 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -18.485 -1.700 10.648 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -17.208 -2.414 12.449 1.00 0.00 N ATOM 0 H ARG A 76 -14.216 1.131 6.346 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.605 -1.699 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.241 0.811 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.105 -0.695 6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.981 -0.370 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.664 0.028 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.280 -2.334 8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.570 -2.703 8.364 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.407 -2.680 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.573 -1.499 9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.282 -1.558 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.324 -2.757 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.005 -2.272 13.070 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.207 -0.302 3.944 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.616 -0.523 2.567 1.00 0.00 C ATOM 1199 C LYS A 77 -14.578 -1.401 1.866 1.00 0.00 C ATOM 1200 O LYS A 77 -13.393 -1.070 1.843 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.870 0.811 1.863 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.372 0.590 0.435 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.202 1.783 -0.045 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.440 1.316 -0.813 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.450 2.396 -0.875 1.00 0.00 N ATOM 0 H LYS A 77 -14.694 0.565 4.103 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.564 -1.060 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.604 1.389 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.951 1.396 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.524 0.440 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.975 -0.317 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.506 2.386 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.592 2.421 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.157 1.016 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.867 0.438 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.284 2.062 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.732 2.663 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.045 3.223 -1.359 1.00 0.00 H new ATOM 1219 N LYS A 78 -15.060 -2.503 1.310 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.188 -3.431 0.610 1.00 0.00 C ATOM 1221 C LYS A 78 -13.783 -2.826 -0.736 1.00 0.00 C ATOM 1222 O LYS A 78 -14.530 -2.042 -1.318 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.851 -4.805 0.493 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.204 -5.363 1.873 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.660 -5.830 1.919 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.832 -6.993 2.899 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.267 -7.236 3.168 1.00 0.00 N ATOM 0 H LYS A 78 -16.043 -2.774 1.330 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.271 -3.593 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.753 -4.727 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.180 -5.494 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.543 -6.196 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.040 -4.598 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.302 -5.001 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.978 -6.139 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.375 -7.893 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.314 -6.770 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.366 -8.028 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.693 -6.381 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.752 -7.470 2.278 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.601 -3.215 -1.191 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.087 -2.721 -2.457 1.00 0.00 C ATOM 1243 C LEU A 79 -13.053 -3.108 -3.580 1.00 0.00 C ATOM 1244 O LEU A 79 -13.292 -2.322 -4.496 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.655 -3.210 -2.682 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.710 -3.093 -1.485 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.284 -3.487 -1.871 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.772 -1.693 -0.872 1.00 0.00 C ATOM 0 H LEU A 79 -11.985 -3.867 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.029 -1.633 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.693 -4.255 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.227 -2.650 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.041 -3.795 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.633 -3.395 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.274 -4.518 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.927 -2.829 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.091 -1.637 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.481 -0.955 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.788 -1.488 -0.536 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.581 -4.318 -3.471 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.515 -4.818 -4.466 1.00 0.00 C ATOM 1262 C ARG A 80 -15.744 -3.909 -4.545 1.00 0.00 C ATOM 1263 O ARG A 80 -16.234 -3.615 -5.634 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.964 -6.242 -4.133 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.169 -7.064 -5.407 1.00 0.00 C ATOM 1266 CD ARG A 80 -15.627 -8.486 -5.074 1.00 0.00 C ATOM 1267 NE ARG A 80 -14.930 -9.459 -5.944 1.00 0.00 N ATOM 1268 CZ ARG A 80 -15.088 -9.528 -7.273 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -15.921 -8.681 -7.893 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -14.414 -10.444 -7.981 1.00 0.00 N ATOM 0 H ARG A 80 -13.380 -4.967 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.002 -4.826 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.218 -6.724 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.892 -6.210 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.910 -6.579 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.239 -7.101 -5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.420 -8.708 -4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.705 -8.571 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.289 -10.119 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.434 -7.984 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.042 -8.733 -8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.781 -11.089 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.534 -10.497 -8.993 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.206 -3.490 -3.376 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.368 -2.621 -3.299 1.00 0.00 C ATOM 1286 C ASP A 81 -17.041 -1.280 -3.959 1.00 0.00 C ATOM 1287 O ASP A 81 -17.943 -0.520 -4.310 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.757 -2.349 -1.844 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.842 -3.270 -1.282 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.147 -4.271 -1.966 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.342 -2.952 -0.182 1.00 0.00 O ATOM 0 H ASP A 81 -15.797 -3.736 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.195 -3.118 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.866 -2.440 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -18.099 -1.317 -1.762 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.748 -1.029 -4.109 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.291 0.206 -4.721 1.00 0.00 C ATOM 1298 C TYR A 82 -15.075 0.026 -6.225 1.00 0.00 C ATOM 1299 O TYR A 82 -14.708 0.972 -6.920 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.950 0.533 -4.060 1.00 0.00 C ATOM 1301 CG TYR A 82 -14.014 1.691 -3.062 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -14.171 2.985 -3.515 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.916 1.440 -1.708 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.231 4.074 -2.575 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.976 2.530 -0.768 1.00 0.00 C ATOM 1306 CZ TYR A 82 -14.130 3.793 -1.248 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.187 4.822 -0.360 1.00 0.00 O ATOM 0 H TYR A 82 -15.003 -1.661 -3.817 1.00 0.00 H new ATOM 0 HA TYR A 82 -16.028 0.997 -4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.583 -0.356 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.224 0.775 -4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.249 3.181 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.794 0.427 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.353 5.091 -2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.900 2.348 0.294 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.116 4.964 -0.084 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.312 -1.194 -6.682 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.147 -1.511 -8.091 1.00 0.00 C ATOM 1319 C GLY A 83 -13.732 -2.015 -8.378 1.00 0.00 C ATOM 1320 O GLY A 83 -13.353 -2.188 -9.536 1.00 0.00 O ATOM 0 H GLY A 83 -15.617 -1.976 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.873 -2.269 -8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.350 -0.625 -8.693 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.988 -2.236 -7.304 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.622 -2.717 -7.427 1.00 0.00 C ATOM 1326 C ILE A 84 -11.614 -4.245 -7.342 1.00 0.00 C ATOM 1327 O ILE A 84 -11.888 -4.813 -6.286 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.721 -2.039 -6.392 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.869 -0.518 -6.449 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.265 -2.480 -6.561 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.171 0.146 -5.260 1.00 0.00 C ATOM 0 H ILE A 84 -13.305 -2.091 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.210 -2.449 -8.400 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.041 -2.356 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.445 -0.142 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.926 -0.252 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.646 -1.984 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.195 -3.560 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.917 -2.210 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.291 1.227 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.614 -0.213 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.110 -0.102 -5.276 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.297 -4.866 -8.469 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.250 -6.317 -8.536 1.00 0.00 C ATOM 1345 C ARG A 85 -9.800 -6.803 -8.492 1.00 0.00 C ATOM 1346 O ARG A 85 -8.879 -6.006 -8.320 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.916 -6.831 -9.814 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.412 -6.510 -9.820 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.687 -5.197 -10.557 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.073 -5.190 -11.076 1.00 0.00 N ATOM 1351 CZ ARG A 85 -16.153 -4.920 -10.330 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -16.014 -4.635 -9.028 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -17.372 -4.936 -10.886 1.00 0.00 N ATOM 0 H ARG A 85 -11.070 -4.391 -9.343 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.793 -6.707 -7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.440 -6.378 -10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.771 -7.908 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.960 -7.322 -10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.777 -6.440 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.538 -4.354 -9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.981 -5.077 -11.379 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.215 -5.404 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.086 -4.624 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.836 -4.429 -8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.478 -5.154 -11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.194 -4.731 -10.318 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.643 -8.109 -8.652 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.321 -8.711 -8.633 1.00 0.00 C ATOM 1369 C ASN A 86 -7.525 -8.222 -9.845 1.00 0.00 C ATOM 1370 O ASN A 86 -8.087 -8.020 -10.920 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.409 -10.237 -8.710 1.00 0.00 C ATOM 1372 CG ASN A 86 -8.673 -10.699 -10.144 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -7.572 -11.002 -10.826 1.00 0.00 O flip ATOM 1374 ND2 ASN A 86 -9.801 -10.777 -10.601 1.00 0.00 N flip ATOM 0 H ASN A 86 -10.409 -8.767 -8.795 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.834 -8.424 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.480 -10.677 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.206 -10.592 -8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.604 -10.529 -10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.942 -11.090 -11.561 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.229 -8.047 -9.631 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.351 -7.585 -10.692 1.00 0.00 C ATOM 1383 C ARG A 87 -5.697 -6.146 -11.080 1.00 0.00 C ATOM 1384 O ARG A 87 -5.559 -5.761 -12.240 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.464 -8.480 -11.928 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.132 -9.170 -12.229 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.829 -9.147 -13.729 1.00 0.00 C ATOM 1388 NE ARG A 87 -3.410 -10.493 -14.181 1.00 0.00 N ATOM 1389 CZ ARG A 87 -4.249 -11.525 -14.343 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -5.556 -11.372 -14.091 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -3.780 -12.710 -14.757 1.00 0.00 N ATOM 0 H ARG A 87 -5.766 -8.217 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.328 -7.627 -10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.238 -9.230 -11.768 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.771 -7.883 -12.787 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.329 -8.672 -11.685 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.165 -10.201 -11.877 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.712 -8.827 -14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.042 -8.423 -13.938 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.421 -10.644 -14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.912 -10.470 -13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.195 -12.158 -14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.785 -12.826 -14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.418 -13.496 -14.881 1.00 0.00 H new ATOM 1405 N ASP A 88 -6.140 -5.390 -10.086 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.507 -4.001 -10.308 1.00 0.00 C ATOM 1407 C ASP A 88 -5.259 -3.124 -10.191 1.00 0.00 C ATOM 1408 O ASP A 88 -4.147 -3.634 -10.064 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.519 -3.525 -9.264 1.00 0.00 C ATOM 1410 CG ASP A 88 -7.033 -3.593 -7.815 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -7.235 -4.662 -7.199 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -6.472 -2.575 -7.356 1.00 0.00 O ATOM 0 H ASP A 88 -6.253 -5.713 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.950 -3.924 -11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.795 -2.495 -9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.424 -4.126 -9.357 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.485 -1.819 -10.239 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.393 -0.866 -10.140 1.00 0.00 C ATOM 1419 C GLU A 89 -4.787 0.300 -9.231 1.00 0.00 C ATOM 1420 O GLU A 89 -5.754 1.008 -9.507 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.975 -0.365 -11.524 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.300 -1.478 -12.329 1.00 0.00 C ATOM 1423 CD GLU A 89 -3.243 -1.121 -13.816 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.739 -0.017 -14.115 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.703 -1.961 -14.619 1.00 0.00 O ATOM 0 H GLU A 89 -6.409 -1.400 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.534 -1.372 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.850 -0.001 -12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.292 0.478 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.291 -1.644 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.847 -2.411 -12.196 1.00 0.00 H new ATOM 1432 N VAL A 90 -4.017 0.464 -8.166 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.273 1.532 -7.214 1.00 0.00 C ATOM 1434 C VAL A 90 -3.096 2.509 -7.222 1.00 0.00 C ATOM 1435 O VAL A 90 -1.959 2.116 -7.482 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.553 0.944 -5.830 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.211 1.949 -4.728 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -6.006 0.479 -5.716 1.00 0.00 C ATOM 0 H VAL A 90 -3.215 -0.125 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.163 2.093 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.911 0.073 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.419 1.506 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.155 2.211 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.815 2.847 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.179 0.065 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.673 1.326 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.203 -0.286 -6.467 1.00 0.00 H new ATOM 1448 N SER A 91 -3.408 3.764 -6.933 1.00 0.00 N ATOM 1449 CA SER A 91 -2.390 4.801 -6.903 1.00 0.00 C ATOM 1450 C SER A 91 -2.431 5.536 -5.563 1.00 0.00 C ATOM 1451 O SER A 91 -3.366 5.361 -4.783 1.00 0.00 O ATOM 1452 CB SER A 91 -2.575 5.788 -8.057 1.00 0.00 C ATOM 1453 OG SER A 91 -3.898 5.750 -8.585 1.00 0.00 O ATOM 0 H SER A 91 -4.351 4.086 -6.717 1.00 0.00 H new ATOM 0 HA SER A 91 -1.415 4.327 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.352 6.797 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.862 5.558 -8.849 1.00 0.00 H new ATOM 0 HG SER A 91 -3.976 6.395 -9.318 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.406 6.344 -5.335 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.313 7.107 -4.102 1.00 0.00 C ATOM 1461 C PHE A 92 -1.590 8.591 -4.354 1.00 0.00 C ATOM 1462 O PHE A 92 -1.008 9.190 -5.257 1.00 0.00 O ATOM 1463 CB PHE A 92 0.117 6.948 -3.584 1.00 0.00 C ATOM 1464 CG PHE A 92 0.233 6.072 -2.335 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.381 6.448 -1.181 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.949 4.916 -2.379 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.274 5.635 -0.022 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.056 4.103 -1.220 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.442 4.479 -0.066 1.00 0.00 C ATOM 0 H PHE A 92 -0.632 6.487 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.048 6.744 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.733 6.519 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.524 7.935 -3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.950 7.365 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.436 4.617 -3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.761 5.934 0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.625 3.186 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.523 3.860 0.815 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.477 9.141 -3.538 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.838 10.543 -3.661 1.00 0.00 C ATOM 1481 C ILE A 93 -2.218 11.328 -2.503 1.00 0.00 C ATOM 1482 O ILE A 93 -1.806 10.743 -1.503 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.357 10.699 -3.766 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.730 12.080 -4.307 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.032 10.407 -2.424 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.867 11.981 -5.326 1.00 0.00 C ATOM 0 H ILE A 93 -2.956 8.641 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.434 10.961 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.728 9.963 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.030 12.728 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.858 12.540 -4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.111 10.525 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.806 9.386 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.661 11.102 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.113 12.977 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.555 11.352 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.745 11.544 -4.850 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.173 12.641 -2.677 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.610 13.511 -1.659 1.00 0.00 C ATOM 1500 C LYS A 94 -2.730 14.339 -1.026 1.00 0.00 C ATOM 1501 O LYS A 94 -3.541 14.936 -1.733 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.476 14.356 -2.243 1.00 0.00 C ATOM 1503 CG LYS A 94 0.347 15.013 -1.133 1.00 0.00 C ATOM 1504 CD LYS A 94 0.385 16.533 -1.305 1.00 0.00 C ATOM 1505 CE LYS A 94 0.804 17.221 -0.004 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.118 18.647 -0.250 1.00 0.00 N ATOM 0 H LYS A 94 -2.517 13.123 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.159 12.921 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.170 13.729 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.890 15.124 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.081 14.764 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.362 14.617 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.083 16.795 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.597 16.893 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.003 17.140 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.675 16.718 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.401 19.099 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.897 18.718 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.277 19.127 -0.630 1.00 0.00 H new ATOM 1520 N LYS A 95 -2.740 14.349 0.299 1.00 0.00 N ATOM 1521 CA LYS A 95 -3.748 15.094 1.034 1.00 0.00 C ATOM 1522 C LYS A 95 -3.765 16.542 0.542 1.00 0.00 C ATOM 1523 O LYS A 95 -3.007 16.906 -0.355 1.00 0.00 O ATOM 1524 CB LYS A 95 -3.520 14.959 2.541 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.153 13.674 3.079 1.00 0.00 C ATOM 1526 CD LYS A 95 -4.635 13.861 4.519 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.083 14.355 4.552 1.00 0.00 C ATOM 1528 NZ LYS A 95 -6.267 15.349 5.634 1.00 0.00 N ATOM 0 H LYS A 95 -2.066 13.853 0.882 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.739 14.682 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.451 14.958 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.945 15.821 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.992 13.385 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.427 12.862 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.557 12.917 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.991 14.576 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.343 14.801 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.758 13.513 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.255 15.674 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.038 14.912 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.637 16.160 5.471 1.00 0.00 H new ATOM 1542 N LEU A 96 -4.640 17.330 1.151 1.00 0.00 N ATOM 1543 CA LEU A 96 -4.766 18.731 0.786 1.00 0.00 C ATOM 1544 C LEU A 96 -4.419 19.601 1.996 1.00 0.00 C ATOM 1545 O LEU A 96 -5.308 20.032 2.730 1.00 0.00 O ATOM 1546 CB LEU A 96 -6.153 19.010 0.205 1.00 0.00 C ATOM 1547 CG LEU A 96 -6.367 20.408 -0.379 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -6.816 20.329 -1.839 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -7.343 21.217 0.478 1.00 0.00 C ATOM 0 H LEU A 96 -5.268 17.025 1.894 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.059 18.985 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.352 18.277 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.893 18.848 0.989 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.413 20.934 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.961 21.336 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.054 19.818 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.754 19.777 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.477 22.206 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.304 20.704 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.944 21.318 1.487 1.00 0.00 H new ATOM 1561 N GLY A 97 -3.126 19.835 2.166 1.00 0.00 N ATOM 1562 CA GLY A 97 -2.652 20.646 3.274 1.00 0.00 C ATOM 1563 C GLY A 97 -1.920 19.788 4.308 1.00 0.00 C ATOM 1564 O GLY A 97 -2.477 18.818 4.820 1.00 0.00 O ATOM 0 H GLY A 97 -2.392 19.477 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.983 21.422 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.495 21.151 3.746 1.00 0.00 H new ATOM 1568 N GLN A 98 -0.685 20.177 4.585 1.00 0.00 N ATOM 1569 CA GLN A 98 0.129 19.456 5.549 1.00 0.00 C ATOM 1570 C GLN A 98 1.510 20.103 5.669 1.00 0.00 C ATOM 1571 O GLN A 98 1.988 20.732 4.726 1.00 0.00 O ATOM 1572 CB GLN A 98 0.246 17.978 5.171 1.00 0.00 C ATOM 1573 CG GLN A 98 -0.483 17.093 6.183 1.00 0.00 C ATOM 1574 CD GLN A 98 0.322 16.962 7.478 1.00 0.00 C ATOM 1575 OE1 GLN A 98 1.342 16.295 7.540 1.00 0.00 O ATOM 1576 NE2 GLN A 98 -0.191 17.634 8.504 1.00 0.00 N ATOM 0 H GLN A 98 -0.227 20.983 4.159 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.361 19.511 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.172 17.819 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.297 17.693 5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.463 17.516 6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.651 16.105 5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.049 18.173 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.273 17.611 9.412 1.00 0.00 H new ATOM 1585 N LYS A 99 2.112 19.926 6.836 1.00 0.00 N ATOM 1586 CA LYS A 99 3.429 20.485 7.091 1.00 0.00 C ATOM 1587 C LYS A 99 4.466 19.361 7.078 1.00 0.00 C ATOM 1588 O LYS A 99 4.252 18.307 7.673 1.00 0.00 O ATOM 1589 CB LYS A 99 3.423 21.302 8.384 1.00 0.00 C ATOM 1590 CG LYS A 99 4.304 22.546 8.252 1.00 0.00 C ATOM 1591 CD LYS A 99 5.385 22.569 9.334 1.00 0.00 C ATOM 1592 CE LYS A 99 6.736 22.990 8.752 1.00 0.00 C ATOM 1593 NZ LYS A 99 6.798 24.461 8.597 1.00 0.00 N ATOM 0 H LYS A 99 1.712 19.403 7.615 1.00 0.00 H new ATOM 0 HA LYS A 99 3.706 21.184 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.402 21.599 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.780 20.686 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.770 22.563 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.688 23.442 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.096 23.259 10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.472 21.581 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.541 22.653 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.888 22.510 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.721 24.730 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.042 24.775 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.675 24.913 9.525 1.00 0.00 H new ATOM 1607 N SER A 100 5.569 19.625 6.392 1.00 0.00 N ATOM 1608 CA SER A 100 6.641 18.649 6.294 1.00 0.00 C ATOM 1609 C SER A 100 7.269 18.421 7.670 1.00 0.00 C ATOM 1610 O SER A 100 7.028 19.188 8.601 1.00 0.00 O ATOM 1611 CB SER A 100 7.705 19.098 5.291 1.00 0.00 C ATOM 1612 OG SER A 100 7.490 18.541 3.998 1.00 0.00 O ATOM 0 H SER A 100 5.743 20.501 5.899 1.00 0.00 H new ATOM 0 HA SER A 100 6.217 17.711 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.702 20.186 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.691 18.805 5.653 1.00 0.00 H new ATOM 0 HG SER A 100 8.189 18.853 3.387 1.00 0.00 H new ATOM 1618 N GLY A 101 8.064 17.364 7.755 1.00 0.00 N ATOM 1619 CA GLY A 101 8.729 17.027 9.002 1.00 0.00 C ATOM 1620 C GLY A 101 8.494 15.560 9.369 1.00 0.00 C ATOM 1621 O GLY A 101 7.654 15.255 10.213 1.00 0.00 O ATOM 0 H GLY A 101 8.262 16.730 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.799 17.216 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.359 17.669 9.801 1.00 0.00 H new ATOM 1625 N PRO A 102 9.272 14.668 8.699 1.00 0.00 N ATOM 1626 CA PRO A 102 9.157 13.241 8.946 1.00 0.00 C ATOM 1627 C PRO A 102 9.808 12.861 10.277 1.00 0.00 C ATOM 1628 O PRO A 102 10.737 13.528 10.731 1.00 0.00 O ATOM 1629 CB PRO A 102 9.822 12.580 7.749 1.00 0.00 C ATOM 1630 CG PRO A 102 10.690 13.651 7.110 1.00 0.00 C ATOM 1631 CD PRO A 102 10.278 14.994 7.692 1.00 0.00 C ATOM 0 HA PRO A 102 8.122 12.912 9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 102 10.422 11.724 8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.078 12.209 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.744 13.456 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.563 13.649 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.129 15.511 8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.871 15.651 6.923 1.00 0.00 H new ATOM 1639 N SER A 103 9.295 11.790 10.866 1.00 0.00 N ATOM 1640 CA SER A 103 9.815 11.314 12.136 1.00 0.00 C ATOM 1641 C SER A 103 10.817 10.181 11.899 1.00 0.00 C ATOM 1642 O SER A 103 10.446 9.008 11.907 1.00 0.00 O ATOM 1643 CB SER A 103 8.684 10.839 13.050 1.00 0.00 C ATOM 1644 OG SER A 103 7.983 9.728 12.500 1.00 0.00 O ATOM 0 H SER A 103 8.525 11.239 10.487 1.00 0.00 H new ATOM 0 HA SER A 103 10.322 12.142 12.631 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.095 10.563 14.021 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.987 11.659 13.220 1.00 0.00 H new ATOM 0 HG SER A 103 8.623 9.101 12.104 1.00 0.00 H new ATOM 1650 N SER A 104 12.066 10.572 11.695 1.00 0.00 N ATOM 1651 CA SER A 104 13.124 9.605 11.457 1.00 0.00 C ATOM 1652 C SER A 104 12.716 8.650 10.333 1.00 0.00 C ATOM 1653 O SER A 104 12.394 7.490 10.586 1.00 0.00 O ATOM 1654 CB SER A 104 13.448 8.820 12.729 1.00 0.00 C ATOM 1655 OG SER A 104 14.551 7.936 12.544 1.00 0.00 O ATOM 0 H SER A 104 12.369 11.546 11.690 1.00 0.00 H new ATOM 0 HA SER A 104 14.022 10.146 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.673 9.516 13.537 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.572 8.248 13.035 1.00 0.00 H new ATOM 0 HG SER A 104 14.728 7.454 13.379 1.00 0.00 H new ATOM 1661 N GLY A 105 12.743 9.174 9.116 1.00 0.00 N ATOM 1662 CA GLY A 105 12.380 8.382 7.953 1.00 0.00 C ATOM 1663 C GLY A 105 13.575 7.571 7.448 1.00 0.00 C ATOM 1664 O GLY A 105 14.721 7.881 7.769 1.00 0.00 O ATOM 0 H GLY A 105 13.010 10.137 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.561 7.709 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.019 9.037 7.160 1.00 0.00 H new TER 1668 GLY A 105