USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1002 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 2 GLN : amide:sc= -5.07 K(o=-13,f=-14!) USER MOD Set 1.2: A 115 ASN : amide:sc= -7.78! C(o=-13!,f=-15!) USER MOD Set 2.1: A 112 THR OG1 : rot 179:sc= 0.634 USER MOD Set 2.2: A 121 GLN : amide:sc= 0.838 X(o=1.5,f=1.1) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 176:sc= -0.848 (180deg=-0.72) USER MOD Set 3.2: A 48 THR OG1 : rot 96:sc= 0.352 USER MOD Set 3.3: A 49 GLN : amide:sc= -1.32 K(o=-1.8,f=-19!) USER MOD Set 4.1: A 8 HIS : no HD1:sc= -3.47! C(o=-3.9!,f=-7.2!) USER MOD Set 4.2: A 34 SER OG : rot 87:sc= -0.407 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 33:sc= 0.384 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0958 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.04 F(o=-1.9,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 44 GLN : amide:sc= -0.288 K(o=-0.29,f=-3.3!) USER MOD Single : A 51 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.0014) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0188) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 32:sc= 0.491 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -150:sc= -0.463 USER MOD Single : A 90 THR OG1 : rot -85:sc= -0.493! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 135:sc= -3! USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= -0.468 (180deg=-1.12) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -1.65 K(o=-1.7,f=-9.7!) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 29.319 6.224 -8.412 0.50 0.00 N ATOM 2 CA ARG A 1 28.857 6.194 -6.995 0.50 0.00 C ATOM 3 C ARG A 1 27.712 7.192 -6.791 0.50 0.00 C ATOM 4 O ARG A 1 27.897 8.389 -6.883 0.50 0.00 O ATOM 5 CB ARG A 1 30.079 6.605 -6.171 0.50 0.00 C ATOM 6 CG ARG A 1 30.731 5.359 -5.568 0.50 0.00 C ATOM 7 CD ARG A 1 31.499 5.746 -4.302 0.50 0.00 C ATOM 8 NE ARG A 1 32.897 5.982 -4.756 0.50 0.00 N ATOM 9 CZ ARG A 1 33.699 6.723 -4.041 0.50 0.00 C ATOM 10 NH1 ARG A 1 33.315 7.906 -3.644 0.50 0.00 N ATOM 11 NH2 ARG A 1 34.884 6.281 -3.722 0.50 0.00 N ATOM 0 H1 ARG A 1 30.095 5.544 -8.539 0.50 0.00 H new ATOM 0 H2 ARG A 1 28.530 5.970 -9.040 0.50 0.00 H new ATOM 0 H3 ARG A 1 29.655 7.180 -8.648 0.50 0.00 H new ATOM 0 HA ARG A 1 28.480 5.214 -6.704 0.50 0.00 H new ATOM 0 HB2 ARG A 1 30.794 7.134 -6.801 0.50 0.00 H new ATOM 0 HB3 ARG A 1 29.782 7.293 -5.379 0.50 0.00 H new ATOM 0 HG2 ARG A 1 29.970 4.616 -5.331 0.50 0.00 H new ATOM 0 HG3 ARG A 1 31.407 4.903 -6.291 0.50 0.00 H new ATOM 0 HD2 ARG A 1 31.077 6.640 -3.842 0.50 0.00 H new ATOM 0 HD3 ARG A 1 31.455 4.953 -3.556 0.50 0.00 H new ATOM 0 HE ARG A 1 33.228 5.565 -5.626 0.50 0.00 H new ATOM 0 HH11 ARG A 1 32.388 8.251 -3.893 0.50 0.00 H new ATOM 0 HH12 ARG A 1 33.942 8.485 -3.085 0.50 0.00 H new ATOM 0 HH21 ARG A 1 35.184 5.356 -4.031 0.50 0.00 H new ATOM 0 HH22 ARG A 1 35.511 6.860 -3.163 0.50 0.00 H new ATOM 27 N GLN A 2 26.531 6.704 -6.519 0.50 0.00 N ATOM 28 CA GLN A 2 25.372 7.620 -6.312 0.50 0.00 C ATOM 29 C GLN A 2 25.211 7.940 -4.817 0.50 0.00 C ATOM 30 O GLN A 2 26.183 8.087 -4.101 0.50 0.00 O ATOM 31 CB GLN A 2 24.165 6.849 -6.854 0.50 0.00 C ATOM 32 CG GLN A 2 23.958 5.582 -6.028 0.50 0.00 C ATOM 33 CD GLN A 2 22.502 5.131 -6.135 0.50 0.00 C ATOM 34 OE1 GLN A 2 22.109 4.531 -7.115 0.50 0.00 O ATOM 35 NE2 GLN A 2 21.679 5.400 -5.160 0.50 0.00 N ATOM 0 H GLN A 2 26.319 5.710 -6.431 0.50 0.00 H new ATOM 0 HA GLN A 2 25.494 8.578 -6.817 0.50 0.00 H new ATOM 0 HB2 GLN A 2 23.272 7.473 -6.812 0.50 0.00 H new ATOM 0 HB3 GLN A 2 24.325 6.591 -7.901 0.50 0.00 H new ATOM 0 HG2 GLN A 2 24.621 4.793 -6.383 0.50 0.00 H new ATOM 0 HG3 GLN A 2 24.215 5.770 -4.986 0.50 0.00 H new ATOM 0 HE21 GLN A 2 22.010 5.904 -4.337 0.50 0.00 H new ATOM 0 HE22 GLN A 2 20.704 5.106 -5.220 0.50 0.00 H new ATOM 44 N GLU A 3 23.997 8.045 -4.339 0.50 0.00 N ATOM 45 CA GLU A 3 23.785 8.352 -2.895 0.50 0.00 C ATOM 46 C GLU A 3 23.061 7.186 -2.205 0.50 0.00 C ATOM 47 O GLU A 3 22.291 6.482 -2.828 0.50 0.00 O ATOM 48 CB GLU A 3 22.914 9.608 -2.881 0.50 0.00 C ATOM 49 CG GLU A 3 23.733 10.804 -3.370 0.50 0.00 C ATOM 50 CD GLU A 3 23.033 12.102 -2.967 0.50 0.00 C ATOM 51 OE1 GLU A 3 22.758 12.262 -1.790 0.50 0.00 O ATOM 52 OE2 GLU A 3 22.784 12.914 -3.843 0.50 0.00 O ATOM 0 H GLU A 3 23.145 7.931 -4.887 0.50 0.00 H new ATOM 0 HA GLU A 3 24.724 8.502 -2.362 0.50 0.00 H new ATOM 0 HB2 GLU A 3 22.042 9.466 -3.519 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.544 9.795 -1.873 0.50 0.00 H new ATOM 0 HG2 GLU A 3 24.735 10.771 -2.942 0.50 0.00 H new ATOM 0 HG3 GLU A 3 23.847 10.761 -4.453 0.50 0.00 H new ATOM 59 N PRO A 4 23.330 7.022 -0.933 0.50 0.00 N ATOM 60 CA PRO A 4 22.695 5.932 -0.148 0.50 0.00 C ATOM 61 C PRO A 4 21.177 6.136 -0.056 0.50 0.00 C ATOM 62 O PRO A 4 20.712 7.217 0.244 0.50 0.00 O ATOM 63 CB PRO A 4 23.357 6.046 1.226 0.50 0.00 C ATOM 64 CG PRO A 4 23.826 7.460 1.295 0.50 0.00 C ATOM 65 CD PRO A 4 24.236 7.823 -0.105 0.50 0.00 C ATOM 0 HA PRO A 4 22.830 4.948 -0.597 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.652 5.822 2.027 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.187 5.347 1.327 0.50 0.00 H new ATOM 0 HG2 PRO A 4 23.034 8.118 1.654 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.663 7.561 1.986 0.50 0.00 H new ATOM 0 HD2 PRO A 4 24.120 8.890 -0.296 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.281 7.577 -0.296 0.50 0.00 H new ATOM 73 N PRO A 5 20.453 5.076 -0.323 0.50 0.00 N ATOM 74 CA PRO A 5 18.968 5.127 -0.278 0.50 0.00 C ATOM 75 C PRO A 5 18.478 5.259 1.165 0.50 0.00 C ATOM 76 O PRO A 5 18.963 4.590 2.056 0.50 0.00 O ATOM 77 CB PRO A 5 18.551 3.779 -0.860 0.50 0.00 C ATOM 78 CG PRO A 5 19.713 2.882 -0.604 0.50 0.00 C ATOM 79 CD PRO A 5 20.940 3.739 -0.690 0.50 0.00 C ATOM 0 HA PRO A 5 18.554 5.976 -0.821 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.647 3.403 -0.381 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.338 3.857 -1.926 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.634 2.415 0.378 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.750 2.077 -1.338 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.718 3.395 -0.009 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.367 3.729 -1.693 0.50 0.00 H new ATOM 87 N LYS A 6 17.513 6.107 1.398 0.50 0.00 N ATOM 88 CA LYS A 6 16.982 6.276 2.781 0.50 0.00 C ATOM 89 C LYS A 6 15.615 6.960 2.744 0.50 0.00 C ATOM 90 O LYS A 6 15.332 7.760 1.873 0.50 0.00 O ATOM 91 CB LYS A 6 18.002 7.160 3.500 0.50 0.00 C ATOM 92 CG LYS A 6 19.081 6.283 4.139 0.50 0.00 C ATOM 93 CD LYS A 6 19.545 6.918 5.452 0.50 0.00 C ATOM 94 CE LYS A 6 20.684 6.085 6.049 0.50 0.00 C ATOM 95 NZ LYS A 6 20.045 5.276 7.125 0.50 0.00 N ATOM 0 H LYS A 6 17.069 6.691 0.689 0.50 0.00 H new ATOM 0 HA LYS A 6 16.847 5.320 3.286 0.50 0.00 H new ATOM 0 HB2 LYS A 6 18.456 7.857 2.795 0.50 0.00 H new ATOM 0 HB3 LYS A 6 17.505 7.758 4.264 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.689 5.283 4.325 0.50 0.00 H new ATOM 0 HG3 LYS A 6 19.925 6.173 3.458 0.50 0.00 H new ATOM 0 HD2 LYS A 6 19.882 7.940 5.275 0.50 0.00 H new ATOM 0 HD3 LYS A 6 18.714 6.973 6.155 0.50 0.00 H new ATOM 0 HE2 LYS A 6 21.144 5.446 5.295 0.50 0.00 H new ATOM 0 HE3 LYS A 6 21.472 6.723 6.450 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 20.763 4.678 7.582 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 19.622 5.911 7.832 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 19.304 4.674 6.713 0.50 0.00 H new ATOM 109 N ILE A 7 14.766 6.647 3.683 0.50 0.00 N ATOM 110 CA ILE A 7 13.408 7.269 3.716 0.50 0.00 C ATOM 111 C ILE A 7 13.485 8.700 4.269 0.50 0.00 C ATOM 112 O ILE A 7 12.767 9.054 5.184 0.50 0.00 O ATOM 113 CB ILE A 7 12.578 6.384 4.660 0.50 0.00 C ATOM 114 CG1 ILE A 7 12.789 4.894 4.340 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.096 6.723 4.501 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.559 4.632 2.848 0.50 0.00 C ATOM 0 H ILE A 7 14.954 5.983 4.434 0.50 0.00 H new ATOM 0 HA ILE A 7 12.969 7.332 2.720 0.50 0.00 H new ATOM 0 HB ILE A 7 12.901 6.573 5.684 0.50 0.00 H new ATOM 0 HG12 ILE A 7 13.800 4.595 4.617 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.104 4.287 4.932 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.506 6.096 5.170 0.50 0.00 H new ATOM 0 HG22 ILE A 7 10.934 7.772 4.749 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.790 6.543 3.470 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.712 3.574 2.637 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.539 4.912 2.582 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.262 5.224 2.262 0.50 0.00 H new ATOM 128 N HIS A 8 14.341 9.531 3.724 0.50 0.00 N ATOM 129 CA HIS A 8 14.441 10.932 4.232 0.50 0.00 C ATOM 130 C HIS A 8 14.254 11.934 3.085 0.50 0.00 C ATOM 131 O HIS A 8 14.150 11.559 1.934 0.50 0.00 O ATOM 132 CB HIS A 8 15.839 11.047 4.864 0.50 0.00 C ATOM 133 CG HIS A 8 16.905 11.203 3.805 0.50 0.00 C ATOM 134 ND1 HIS A 8 17.960 10.313 3.686 0.50 0.00 N ATOM 135 CD2 HIS A 8 17.102 12.148 2.827 0.50 0.00 C ATOM 136 CE1 HIS A 8 18.736 10.736 2.671 0.50 0.00 C ATOM 137 NE2 HIS A 8 18.258 11.850 2.113 0.50 0.00 N ATOM 0 H HIS A 8 14.970 9.300 2.955 0.50 0.00 H new ATOM 0 HA HIS A 8 13.664 11.159 4.962 0.50 0.00 H new ATOM 0 HB2 HIS A 8 15.866 11.901 5.540 0.50 0.00 H new ATOM 0 HB3 HIS A 8 16.045 10.160 5.463 0.50 0.00 H new ATOM 0 HD2 HIS A 8 16.457 12.994 2.641 0.50 0.00 H new ATOM 0 HE1 HIS A 8 19.636 10.235 2.347 0.50 0.00 H new ATOM 0 HE2 HIS A 8 18.655 12.371 1.331 0.50 0.00 H new ATOM 145 N LEU A 9 14.211 13.205 3.394 0.50 0.00 N ATOM 146 CA LEU A 9 14.030 14.227 2.315 0.50 0.00 C ATOM 147 C LEU A 9 15.128 15.303 2.387 0.50 0.00 C ATOM 148 O LEU A 9 16.215 15.109 1.878 0.50 0.00 O ATOM 149 CB LEU A 9 12.626 14.838 2.505 0.50 0.00 C ATOM 150 CG LEU A 9 12.070 14.546 3.904 0.50 0.00 C ATOM 151 CD1 LEU A 9 12.853 15.340 4.946 0.50 0.00 C ATOM 152 CD2 LEU A 9 10.600 14.965 3.955 0.50 0.00 C ATOM 0 H LEU A 9 14.293 13.579 4.339 0.50 0.00 H new ATOM 0 HA LEU A 9 14.114 13.770 1.329 0.50 0.00 H new ATOM 0 HB2 LEU A 9 12.673 15.916 2.349 0.50 0.00 H new ATOM 0 HB3 LEU A 9 11.948 14.436 1.752 0.50 0.00 H new ATOM 0 HG LEU A 9 12.163 13.481 4.116 0.50 0.00 H new ATOM 0 HD11 LEU A 9 12.455 15.130 5.939 0.50 0.00 H new ATOM 0 HD12 LEU A 9 13.904 15.053 4.908 0.50 0.00 H new ATOM 0 HD13 LEU A 9 12.761 16.406 4.736 0.50 0.00 H new ATOM 0 HD21 LEU A 9 10.198 14.760 4.947 0.50 0.00 H new ATOM 0 HD22 LEU A 9 10.518 16.031 3.743 0.50 0.00 H new ATOM 0 HD23 LEU A 9 10.035 14.403 3.211 0.50 0.00 H new ATOM 164 N ASP A 10 14.864 16.442 2.984 0.50 0.00 N ATOM 165 CA ASP A 10 15.909 17.507 3.036 0.50 0.00 C ATOM 166 C ASP A 10 16.279 17.879 4.477 0.50 0.00 C ATOM 167 O ASP A 10 17.267 18.550 4.705 0.50 0.00 O ATOM 168 CB ASP A 10 15.278 18.704 2.326 0.50 0.00 C ATOM 169 CG ASP A 10 16.376 19.670 1.876 0.50 0.00 C ATOM 170 OD1 ASP A 10 17.204 20.021 2.701 0.50 0.00 O ATOM 171 OD2 ASP A 10 16.370 20.042 0.715 0.50 0.00 O ATOM 0 H ASP A 10 13.978 16.676 3.432 0.50 0.00 H new ATOM 0 HA ASP A 10 16.836 17.175 2.568 0.50 0.00 H new ATOM 0 HB2 ASP A 10 14.701 18.366 1.465 0.50 0.00 H new ATOM 0 HB3 ASP A 10 14.584 19.212 2.995 0.50 0.00 H new ATOM 176 N CYS A 11 15.508 17.472 5.456 0.50 0.00 N ATOM 177 CA CYS A 11 15.869 17.850 6.861 0.50 0.00 C ATOM 178 C CYS A 11 15.416 16.792 7.887 0.50 0.00 C ATOM 179 O CYS A 11 16.248 16.117 8.462 0.50 0.00 O ATOM 180 CB CYS A 11 15.173 19.192 7.107 0.50 0.00 C ATOM 181 SG CYS A 11 16.332 20.546 6.786 0.50 0.00 S ATOM 0 H CYS A 11 14.664 16.908 5.350 0.50 0.00 H new ATOM 0 HA CYS A 11 16.950 17.918 6.983 0.50 0.00 H new ATOM 0 HB2 CYS A 11 14.301 19.285 6.459 0.50 0.00 H new ATOM 0 HB3 CYS A 11 14.814 19.244 8.135 0.50 0.00 H new ATOM 0 HG CYS A 11 17.146 20.203 5.833 0.50 0.00 H new ATOM 187 N PRO A 12 14.125 16.680 8.109 0.50 0.00 N ATOM 188 CA PRO A 12 13.621 15.693 9.103 0.50 0.00 C ATOM 189 C PRO A 12 13.885 14.260 8.629 0.50 0.00 C ATOM 190 O PRO A 12 14.867 13.649 9.004 0.50 0.00 O ATOM 191 CB PRO A 12 12.126 16.001 9.191 0.50 0.00 C ATOM 192 CG PRO A 12 11.793 16.668 7.896 0.50 0.00 C ATOM 193 CD PRO A 12 13.026 17.425 7.477 0.50 0.00 C ATOM 0 HA PRO A 12 14.113 15.768 10.073 0.50 0.00 H new ATOM 0 HB2 PRO A 12 11.543 15.090 9.328 0.50 0.00 H new ATOM 0 HB3 PRO A 12 11.906 16.651 10.038 0.50 0.00 H new ATOM 0 HG2 PRO A 12 11.514 15.933 7.141 0.50 0.00 H new ATOM 0 HG3 PRO A 12 10.945 17.342 8.014 0.50 0.00 H new ATOM 0 HD2 PRO A 12 13.131 17.450 6.392 0.50 0.00 H new ATOM 0 HD3 PRO A 12 12.996 18.460 7.818 0.50 0.00 H new ATOM 201 N GLY A 13 13.025 13.716 7.812 0.50 0.00 N ATOM 202 CA GLY A 13 13.240 12.327 7.321 0.50 0.00 C ATOM 203 C GLY A 13 12.047 11.453 7.705 0.50 0.00 C ATOM 204 O GLY A 13 12.201 10.381 8.256 0.50 0.00 O ATOM 0 H GLY A 13 12.183 14.174 7.464 0.50 0.00 H new ATOM 0 HA2 GLY A 13 13.367 12.330 6.238 0.50 0.00 H new ATOM 0 HA3 GLY A 13 14.155 11.918 7.749 0.50 0.00 H new ATOM 208 N ARG A 14 10.858 11.905 7.411 0.50 0.00 N ATOM 209 CA ARG A 14 9.647 11.103 7.748 0.50 0.00 C ATOM 210 C ARG A 14 8.687 11.082 6.557 0.50 0.00 C ATOM 211 O ARG A 14 8.044 12.068 6.250 0.50 0.00 O ATOM 212 CB ARG A 14 9.012 11.820 8.939 0.50 0.00 C ATOM 213 CG ARG A 14 8.174 10.826 9.746 0.50 0.00 C ATOM 214 CD ARG A 14 7.247 11.590 10.695 0.50 0.00 C ATOM 215 NE ARG A 14 5.951 11.691 9.969 0.50 0.00 N ATOM 216 CZ ARG A 14 4.840 11.842 10.635 0.50 0.00 C ATOM 217 NH1 ARG A 14 3.921 10.917 10.588 0.50 0.00 N ATOM 218 NH2 ARG A 14 4.649 12.917 11.349 0.50 0.00 N ATOM 0 H ARG A 14 10.673 12.796 6.951 0.50 0.00 H new ATOM 0 HA ARG A 14 9.888 10.066 7.983 0.50 0.00 H new ATOM 0 HB2 ARG A 14 9.787 12.255 9.570 0.50 0.00 H new ATOM 0 HB3 ARG A 14 8.386 12.641 8.591 0.50 0.00 H new ATOM 0 HG2 ARG A 14 7.587 10.199 9.074 0.50 0.00 H new ATOM 0 HG3 ARG A 14 8.826 10.162 10.314 0.50 0.00 H new ATOM 0 HD2 ARG A 14 7.129 11.062 11.641 0.50 0.00 H new ATOM 0 HD3 ARG A 14 7.647 12.577 10.928 0.50 0.00 H new ATOM 0 HE ARG A 14 5.932 11.642 8.950 0.50 0.00 H new ATOM 0 HH11 ARG A 14 4.072 10.076 10.031 0.50 0.00 H new ATOM 0 HH12 ARG A 14 3.052 11.035 11.109 0.50 0.00 H new ATOM 0 HH21 ARG A 14 5.368 13.639 11.386 0.50 0.00 H new ATOM 0 HH22 ARG A 14 3.780 13.035 11.870 0.50 0.00 H new ATOM 232 N ILE A 15 8.582 9.967 5.887 0.50 0.00 N ATOM 233 CA ILE A 15 7.661 9.880 4.717 0.50 0.00 C ATOM 234 C ILE A 15 6.221 9.687 5.211 0.50 0.00 C ATOM 235 O ILE A 15 5.971 8.856 6.062 0.50 0.00 O ATOM 236 CB ILE A 15 8.154 8.658 3.923 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.159 9.120 2.865 0.50 0.00 C ATOM 238 CG2 ILE A 15 6.977 7.954 3.231 0.50 0.00 C ATOM 239 CD1 ILE A 15 9.746 7.905 2.141 0.50 0.00 C ATOM 0 H ILE A 15 9.095 9.111 6.099 0.50 0.00 H new ATOM 0 HA ILE A 15 7.661 10.779 4.101 0.50 0.00 H new ATOM 0 HB ILE A 15 8.627 7.957 4.611 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.669 9.780 2.149 0.50 0.00 H new ATOM 0 HG13 ILE A 15 9.957 9.695 3.335 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.345 7.092 2.674 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.260 7.622 3.981 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.490 8.648 2.546 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.461 8.240 1.389 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.252 7.262 2.861 0.50 0.00 H new ATOM 0 HD13 ILE A 15 8.944 7.348 1.657 0.50 0.00 H new ATOM 251 N PRO A 16 5.314 10.457 4.663 0.50 0.00 N ATOM 252 CA PRO A 16 3.891 10.350 5.068 0.50 0.00 C ATOM 253 C PRO A 16 3.273 9.069 4.497 0.50 0.00 C ATOM 254 O PRO A 16 2.274 9.106 3.807 0.50 0.00 O ATOM 255 CB PRO A 16 3.246 11.588 4.452 0.50 0.00 C ATOM 256 CG PRO A 16 4.123 11.949 3.295 0.50 0.00 C ATOM 257 CD PRO A 16 5.517 11.484 3.632 0.50 0.00 C ATOM 0 HA PRO A 16 3.754 10.301 6.148 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.227 11.380 4.125 0.50 0.00 H new ATOM 0 HB3 PRO A 16 3.189 12.403 5.173 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.769 11.473 2.380 0.50 0.00 H new ATOM 0 HG3 PRO A 16 4.108 13.025 3.121 0.50 0.00 H new ATOM 0 HD2 PRO A 16 6.023 11.076 2.757 0.50 0.00 H new ATOM 0 HD3 PRO A 16 6.132 12.304 4.002 0.50 0.00 H new ATOM 265 N ASP A 17 3.866 7.939 4.780 0.50 0.00 N ATOM 266 CA ASP A 17 3.320 6.653 4.252 0.50 0.00 C ATOM 267 C ASP A 17 1.954 6.357 4.879 0.50 0.00 C ATOM 268 O ASP A 17 1.833 5.554 5.782 0.50 0.00 O ATOM 269 CB ASP A 17 4.344 5.579 4.651 0.50 0.00 C ATOM 270 CG ASP A 17 4.752 5.752 6.119 0.50 0.00 C ATOM 271 OD1 ASP A 17 3.897 5.603 6.976 0.50 0.00 O ATOM 272 OD2 ASP A 17 5.914 6.033 6.360 0.50 0.00 O ATOM 0 H ASP A 17 4.705 7.851 5.354 0.50 0.00 H new ATOM 0 HA ASP A 17 3.172 6.686 3.173 0.50 0.00 H new ATOM 0 HB2 ASP A 17 3.919 4.587 4.499 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.224 5.650 4.011 0.50 0.00 H new ATOM 277 N THR A 18 0.925 6.991 4.392 0.50 0.00 N ATOM 278 CA THR A 18 -0.439 6.743 4.941 0.50 0.00 C ATOM 279 C THR A 18 -1.455 6.717 3.801 0.50 0.00 C ATOM 280 O THR A 18 -1.986 7.737 3.407 0.50 0.00 O ATOM 281 CB THR A 18 -0.717 7.914 5.883 0.50 0.00 C ATOM 282 OG1 THR A 18 0.469 8.246 6.591 0.50 0.00 O ATOM 283 CG2 THR A 18 -1.811 7.514 6.873 0.50 0.00 C ATOM 0 H THR A 18 0.969 7.673 3.635 0.50 0.00 H new ATOM 0 HA THR A 18 -0.510 5.788 5.461 0.50 0.00 H new ATOM 0 HB THR A 18 -1.045 8.779 5.306 0.50 0.00 H new ATOM 0 HG1 THR A 18 0.291 8.998 7.194 0.50 0.00 H new ATOM 0 HG21 THR A 18 -2.013 8.346 7.548 0.50 0.00 H new ATOM 0 HG22 THR A 18 -2.720 7.260 6.328 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.481 6.651 7.451 0.50 0.00 H new ATOM 291 N ILE A 19 -1.724 5.561 3.262 0.50 0.00 N ATOM 292 CA ILE A 19 -2.699 5.474 2.140 0.50 0.00 C ATOM 293 C ILE A 19 -4.134 5.440 2.679 0.50 0.00 C ATOM 294 O ILE A 19 -4.499 4.575 3.446 0.50 0.00 O ATOM 295 CB ILE A 19 -2.345 4.173 1.413 0.50 0.00 C ATOM 296 CG1 ILE A 19 -3.169 4.070 0.132 0.50 0.00 C ATOM 297 CG2 ILE A 19 -2.649 2.971 2.311 0.50 0.00 C ATOM 298 CD1 ILE A 19 -2.820 5.234 -0.801 0.50 0.00 C ATOM 0 H ILE A 19 -1.311 4.674 3.550 0.50 0.00 H new ATOM 0 HA ILE A 19 -2.646 6.334 1.473 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.283 4.177 1.170 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -2.970 3.121 -0.365 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -4.233 4.088 0.370 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -2.394 2.051 1.786 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -2.060 3.042 3.225 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -3.710 2.964 2.562 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.410 5.158 -1.714 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -3.042 6.178 -0.304 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -1.759 5.196 -1.050 0.50 0.00 H new ATOM 310 N VAL A 20 -4.951 6.381 2.285 0.50 0.00 N ATOM 311 CA VAL A 20 -6.357 6.405 2.779 0.50 0.00 C ATOM 312 C VAL A 20 -7.332 6.441 1.600 0.50 0.00 C ATOM 313 O VAL A 20 -7.123 7.145 0.631 0.50 0.00 O ATOM 314 CB VAL A 20 -6.460 7.688 3.604 0.50 0.00 C ATOM 315 CG1 VAL A 20 -7.864 7.802 4.196 0.50 0.00 C ATOM 316 CG2 VAL A 20 -5.433 7.652 4.738 0.50 0.00 C ATOM 0 H VAL A 20 -4.704 7.134 1.642 0.50 0.00 H new ATOM 0 HA VAL A 20 -6.606 5.521 3.366 0.50 0.00 H new ATOM 0 HB VAL A 20 -6.263 8.547 2.962 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -7.938 8.717 4.784 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -8.598 7.829 3.390 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.060 6.942 4.836 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -5.507 8.567 5.325 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -5.629 6.792 5.379 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -4.430 7.571 4.318 0.50 0.00 H new ATOM 326 N VAL A 21 -8.397 5.690 1.677 0.50 0.00 N ATOM 327 CA VAL A 21 -9.388 5.678 0.562 0.50 0.00 C ATOM 328 C VAL A 21 -10.806 5.821 1.118 0.50 0.00 C ATOM 329 O VAL A 21 -11.083 5.439 2.236 0.50 0.00 O ATOM 330 CB VAL A 21 -9.206 4.318 -0.116 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.323 3.201 0.925 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.282 4.129 -1.187 0.50 0.00 C ATOM 0 H VAL A 21 -8.624 5.083 2.465 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.238 6.501 -0.136 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.220 4.279 -0.580 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.193 2.235 0.438 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -8.553 3.331 1.686 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.306 3.242 1.393 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -10.150 3.160 -1.668 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.268 4.173 -0.724 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.196 4.919 -1.933 0.50 0.00 H new ATOM 342 N VAL A 22 -11.703 6.363 0.342 0.50 0.00 N ATOM 343 CA VAL A 22 -13.107 6.526 0.823 0.50 0.00 C ATOM 344 C VAL A 22 -13.923 5.277 0.477 0.50 0.00 C ATOM 345 O VAL A 22 -14.937 5.347 -0.189 0.50 0.00 O ATOM 346 CB VAL A 22 -13.646 7.754 0.086 0.50 0.00 C ATOM 347 CG1 VAL A 22 -15.097 8.005 0.502 0.50 0.00 C ATOM 348 CG2 VAL A 22 -12.798 8.977 0.442 0.50 0.00 C ATOM 0 H VAL A 22 -11.526 6.701 -0.604 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.165 6.654 1.904 0.50 0.00 H new ATOM 0 HB VAL A 22 -13.600 7.579 -0.989 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -15.480 8.880 -0.023 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -15.704 7.135 0.249 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -15.142 8.179 1.577 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -13.182 9.851 -0.083 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -12.843 9.151 1.517 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -11.764 8.801 0.146 0.50 0.00 H new ATOM 358 N ALA A 23 -13.480 4.135 0.934 0.50 0.00 N ATOM 359 CA ALA A 23 -14.209 2.861 0.653 0.50 0.00 C ATOM 360 C ALA A 23 -14.569 2.742 -0.835 0.50 0.00 C ATOM 361 O ALA A 23 -15.656 3.092 -1.250 0.50 0.00 O ATOM 362 CB ALA A 23 -15.471 2.932 1.510 0.50 0.00 C ATOM 0 H ALA A 23 -12.635 4.029 1.496 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.600 1.988 0.887 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -16.064 2.030 1.360 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -15.193 3.013 2.561 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -16.058 3.804 1.221 0.50 0.00 H new ATOM 368 N GLY A 24 -13.665 2.236 -1.633 0.50 0.00 N ATOM 369 CA GLY A 24 -13.951 2.075 -3.091 0.50 0.00 C ATOM 370 C GLY A 24 -13.992 3.441 -3.778 0.50 0.00 C ATOM 371 O GLY A 24 -14.940 3.769 -4.465 0.50 0.00 O ATOM 0 H GLY A 24 -12.739 1.927 -1.338 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.185 1.451 -3.552 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -14.904 1.563 -3.227 0.50 0.00 H new ATOM 375 N ASN A 25 -12.971 4.236 -3.608 0.50 0.00 N ATOM 376 CA ASN A 25 -12.954 5.578 -4.263 0.50 0.00 C ATOM 377 C ASN A 25 -11.554 5.889 -4.798 0.50 0.00 C ATOM 378 O ASN A 25 -10.588 5.236 -4.454 0.50 0.00 O ATOM 379 CB ASN A 25 -13.337 6.561 -3.158 0.50 0.00 C ATOM 380 CG ASN A 25 -13.426 7.973 -3.739 0.50 0.00 C ATOM 381 OD1 ASN A 25 -12.345 8.697 -3.833 0.50 0.00 O flip ATOM 382 ND2 ASN A 25 -14.492 8.424 -4.112 0.50 0.00 N flip ATOM 0 H ASN A 25 -12.149 4.016 -3.046 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.636 5.632 -5.112 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -14.293 6.276 -2.719 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.597 6.531 -2.358 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -15.338 7.859 -4.039 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -14.540 9.367 -4.498 0.50 0.00 H new ATOM 389 N LYS A 26 -11.436 6.886 -5.637 0.50 0.00 N ATOM 390 CA LYS A 26 -10.096 7.243 -6.191 0.50 0.00 C ATOM 391 C LYS A 26 -9.152 7.642 -5.055 0.50 0.00 C ATOM 392 O LYS A 26 -9.375 8.617 -4.365 0.50 0.00 O ATOM 393 CB LYS A 26 -10.349 8.434 -7.117 0.50 0.00 C ATOM 394 CG LYS A 26 -10.876 7.932 -8.462 0.50 0.00 C ATOM 395 CD LYS A 26 -11.763 9.005 -9.095 0.50 0.00 C ATOM 396 CE LYS A 26 -11.605 8.967 -10.617 0.50 0.00 C ATOM 397 NZ LYS A 26 -12.847 9.593 -11.148 0.50 0.00 N ATOM 0 H LYS A 26 -12.209 7.467 -5.962 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.632 6.410 -6.720 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -11.070 9.114 -6.663 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.427 8.997 -7.263 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -10.044 7.695 -9.125 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.444 7.012 -8.322 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -12.805 8.837 -8.823 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -11.489 9.989 -8.715 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -10.719 9.516 -10.936 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -11.493 7.944 -10.977 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -12.813 9.604 -12.187 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -13.673 9.045 -10.834 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -12.923 10.568 -10.794 0.50 0.00 H new ATOM 411 N LEU A 27 -8.104 6.890 -4.850 0.50 0.00 N ATOM 412 CA LEU A 27 -7.154 7.222 -3.752 0.50 0.00 C ATOM 413 C LEU A 27 -5.760 7.512 -4.328 0.50 0.00 C ATOM 414 O LEU A 27 -5.289 6.831 -5.216 0.50 0.00 O ATOM 415 CB LEU A 27 -7.160 5.969 -2.861 0.50 0.00 C ATOM 416 CG LEU A 27 -5.772 5.706 -2.268 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.338 6.899 -1.410 0.50 0.00 C ATOM 418 CD2 LEU A 27 -5.830 4.445 -1.403 0.50 0.00 C ATOM 0 H LEU A 27 -7.866 6.061 -5.395 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.433 8.114 -3.192 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -7.885 6.095 -2.056 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.479 5.106 -3.445 0.50 0.00 H new ATOM 0 HG LEU A 27 -5.051 5.568 -3.074 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.350 6.706 -0.991 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.301 7.797 -2.027 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -6.053 7.044 -0.600 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -4.846 4.250 -0.977 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.552 4.588 -0.599 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -6.134 3.597 -2.016 0.50 0.00 H new ATOM 430 N ARG A 28 -5.103 8.523 -3.821 0.50 0.00 N ATOM 431 CA ARG A 28 -3.742 8.867 -4.327 0.50 0.00 C ATOM 432 C ARG A 28 -2.777 9.051 -3.150 0.50 0.00 C ATOM 433 O ARG A 28 -3.166 9.483 -2.082 0.50 0.00 O ATOM 434 CB ARG A 28 -3.924 10.186 -5.084 0.50 0.00 C ATOM 435 CG ARG A 28 -3.842 9.930 -6.590 0.50 0.00 C ATOM 436 CD ARG A 28 -4.829 10.846 -7.319 0.50 0.00 C ATOM 437 NE ARG A 28 -6.021 9.993 -7.587 0.50 0.00 N ATOM 438 CZ ARG A 28 -6.886 10.347 -8.496 0.50 0.00 C ATOM 439 NH1 ARG A 28 -7.098 9.580 -9.531 0.50 0.00 N ATOM 440 NH2 ARG A 28 -7.540 11.471 -8.373 0.50 0.00 N ATOM 0 H ARG A 28 -5.452 9.126 -3.076 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.325 8.087 -4.964 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.887 10.631 -4.833 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -3.155 10.898 -4.784 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -2.828 10.114 -6.946 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -4.071 8.886 -6.805 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -5.091 11.710 -6.708 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -4.401 11.229 -8.246 0.50 0.00 H new ATOM 0 HE ARG A 28 -6.160 9.132 -7.059 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -6.587 8.703 -9.629 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -7.775 9.858 -10.242 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -7.374 12.072 -7.566 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -8.217 11.748 -9.084 0.50 0.00 H new ATOM 454 N LEU A 29 -1.526 8.725 -3.336 0.50 0.00 N ATOM 455 CA LEU A 29 -0.542 8.881 -2.224 0.50 0.00 C ATOM 456 C LEU A 29 0.842 9.222 -2.785 0.50 0.00 C ATOM 457 O LEU A 29 1.319 8.595 -3.712 0.50 0.00 O ATOM 458 CB LEU A 29 -0.527 7.518 -1.528 0.50 0.00 C ATOM 459 CG LEU A 29 0.510 7.518 -0.404 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.103 8.525 0.669 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.592 6.123 0.217 0.50 0.00 C ATOM 0 H LEU A 29 -1.143 8.358 -4.207 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.807 9.687 -1.539 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.514 7.296 -1.123 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.294 6.734 -2.249 0.50 0.00 H new ATOM 0 HG LEU A 29 1.482 7.794 -0.812 0.50 0.00 H new ATOM 0 HD11 LEU A 29 0.843 8.523 1.469 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.045 9.521 0.230 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.871 8.250 1.075 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.331 6.124 1.018 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.382 5.847 0.622 0.50 0.00 H new ATOM 0 HD23 LEU A 29 0.885 5.402 -0.546 0.50 0.00 H new ATOM 473 N ASP A 30 1.487 10.212 -2.229 0.50 0.00 N ATOM 474 CA ASP A 30 2.839 10.601 -2.726 0.50 0.00 C ATOM 475 C ASP A 30 3.814 10.750 -1.555 0.50 0.00 C ATOM 476 O ASP A 30 3.547 11.454 -0.599 0.50 0.00 O ATOM 477 CB ASP A 30 2.635 11.947 -3.423 0.50 0.00 C ATOM 478 CG ASP A 30 1.768 11.757 -4.670 0.50 0.00 C ATOM 479 OD1 ASP A 30 0.644 11.307 -4.524 0.50 0.00 O ATOM 480 OD2 ASP A 30 2.242 12.066 -5.750 0.50 0.00 O ATOM 0 H ASP A 30 1.135 10.769 -1.450 0.50 0.00 H new ATOM 0 HA ASP A 30 3.260 9.852 -3.397 0.50 0.00 H new ATOM 0 HB2 ASP A 30 2.159 12.652 -2.741 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.599 12.374 -3.700 0.50 0.00 H new ATOM 485 N VAL A 31 4.944 10.100 -1.624 0.50 0.00 N ATOM 486 CA VAL A 31 5.943 10.207 -0.518 0.50 0.00 C ATOM 487 C VAL A 31 7.355 10.386 -1.099 0.50 0.00 C ATOM 488 O VAL A 31 7.766 9.635 -1.961 0.50 0.00 O ATOM 489 CB VAL A 31 5.835 8.888 0.256 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.504 8.850 1.009 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.906 7.703 -0.712 0.50 0.00 C ATOM 0 H VAL A 31 5.221 9.498 -2.399 0.50 0.00 H new ATOM 0 HA VAL A 31 5.754 11.065 0.127 0.50 0.00 H new ATOM 0 HB VAL A 31 6.662 8.820 0.963 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.424 7.913 1.560 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.456 9.686 1.706 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.681 8.923 0.298 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.828 6.771 -0.152 0.50 0.00 H new ATOM 0 HG22 VAL A 31 5.085 7.767 -1.426 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.855 7.727 -1.247 0.50 0.00 H new ATOM 501 N PRO A 32 8.053 11.388 -0.618 0.50 0.00 N ATOM 502 CA PRO A 32 9.422 11.666 -1.115 0.50 0.00 C ATOM 503 C PRO A 32 10.445 10.728 -0.465 0.50 0.00 C ATOM 504 O PRO A 32 10.290 10.310 0.666 0.50 0.00 O ATOM 505 CB PRO A 32 9.670 13.108 -0.687 0.50 0.00 C ATOM 506 CG PRO A 32 8.778 13.335 0.495 0.50 0.00 C ATOM 507 CD PRO A 32 7.641 12.346 0.418 0.50 0.00 C ATOM 0 HA PRO A 32 9.518 11.515 -2.190 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.716 13.265 -0.425 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.436 13.802 -1.494 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.335 13.204 1.423 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.396 14.356 0.494 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.481 11.850 1.375 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.705 12.838 0.154 0.50 0.00 H new ATOM 515 N ILE A 33 11.495 10.404 -1.175 0.50 0.00 N ATOM 516 CA ILE A 33 12.542 9.500 -0.607 0.50 0.00 C ATOM 517 C ILE A 33 13.920 9.910 -1.136 0.50 0.00 C ATOM 518 O ILE A 33 14.045 10.835 -1.913 0.50 0.00 O ATOM 519 CB ILE A 33 12.202 8.075 -1.080 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.735 7.985 -1.533 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.438 7.098 0.077 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.442 6.579 -2.062 0.50 0.00 C ATOM 0 H ILE A 33 11.674 10.727 -2.126 0.50 0.00 H new ATOM 0 HA ILE A 33 12.565 9.556 0.481 0.50 0.00 H new ATOM 0 HB ILE A 33 12.840 7.822 -1.926 0.50 0.00 H new ATOM 0 HG12 ILE A 33 10.072 8.215 -0.699 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.538 8.724 -2.310 0.50 0.00 H new ATOM 0 HG21 ILE A 33 12.200 6.085 -0.248 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.483 7.144 0.385 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.800 7.369 0.918 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.402 6.520 -2.382 0.50 0.00 H new ATOM 0 HD12 ILE A 33 11.094 6.366 -2.909 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.621 5.849 -1.273 0.50 0.00 H new ATOM 534 N SER A 34 14.953 9.222 -0.726 0.50 0.00 N ATOM 535 CA SER A 34 16.321 9.568 -1.213 0.50 0.00 C ATOM 536 C SER A 34 16.689 8.671 -2.401 0.50 0.00 C ATOM 537 O SER A 34 15.846 8.319 -3.202 0.50 0.00 O ATOM 538 CB SER A 34 17.242 9.307 -0.021 0.50 0.00 C ATOM 539 OG SER A 34 18.253 10.305 0.016 0.50 0.00 O ATOM 0 H SER A 34 14.909 8.437 -0.076 0.50 0.00 H new ATOM 0 HA SER A 34 16.398 10.599 -1.559 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.669 9.319 0.906 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.693 8.318 -0.104 0.50 0.00 H new ATOM 0 HG SER A 34 17.926 11.084 0.513 0.50 0.00 H new ATOM 545 N GLY A 35 17.937 8.299 -2.527 0.50 0.00 N ATOM 546 CA GLY A 35 18.343 7.426 -3.665 0.50 0.00 C ATOM 547 C GLY A 35 18.683 8.292 -4.879 0.50 0.00 C ATOM 548 O GLY A 35 18.138 9.363 -5.062 0.50 0.00 O ATOM 0 H GLY A 35 18.690 8.562 -1.891 0.50 0.00 H new ATOM 0 HA2 GLY A 35 19.205 6.822 -3.383 0.50 0.00 H new ATOM 0 HA3 GLY A 35 17.537 6.735 -3.912 0.50 0.00 H new ATOM 552 N ASP A 36 19.580 7.833 -5.707 0.50 0.00 N ATOM 553 CA ASP A 36 19.962 8.623 -6.913 0.50 0.00 C ATOM 554 C ASP A 36 20.439 7.677 -8.028 0.50 0.00 C ATOM 555 O ASP A 36 21.366 6.919 -7.825 0.50 0.00 O ATOM 556 CB ASP A 36 21.110 9.519 -6.444 0.50 0.00 C ATOM 557 CG ASP A 36 21.133 10.800 -7.279 0.50 0.00 C ATOM 558 OD1 ASP A 36 20.304 11.661 -7.031 0.50 0.00 O ATOM 559 OD2 ASP A 36 21.978 10.899 -8.154 0.50 0.00 O ATOM 0 H ASP A 36 20.067 6.943 -5.601 0.50 0.00 H new ATOM 0 HA ASP A 36 19.131 9.201 -7.316 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.987 9.763 -5.389 0.50 0.00 H new ATOM 0 HB3 ASP A 36 22.059 8.992 -6.541 0.50 0.00 H new ATOM 564 N PRO A 37 19.800 7.737 -9.178 0.50 0.00 N ATOM 565 CA PRO A 37 18.666 8.673 -9.408 0.50 0.00 C ATOM 566 C PRO A 37 17.403 8.195 -8.684 0.50 0.00 C ATOM 567 O PRO A 37 16.866 8.884 -7.838 0.50 0.00 O ATOM 568 CB PRO A 37 18.470 8.637 -10.921 0.50 0.00 C ATOM 569 CG PRO A 37 19.023 7.319 -11.359 0.50 0.00 C ATOM 570 CD PRO A 37 20.089 6.927 -10.368 0.50 0.00 C ATOM 0 HA PRO A 37 18.864 9.676 -9.029 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.416 8.728 -11.183 0.50 0.00 H new ATOM 0 HB3 PRO A 37 18.991 9.463 -11.405 0.50 0.00 H new ATOM 0 HG2 PRO A 37 18.236 6.565 -11.395 0.50 0.00 H new ATOM 0 HG3 PRO A 37 19.440 7.392 -12.363 0.50 0.00 H new ATOM 0 HD2 PRO A 37 20.049 5.861 -10.142 0.50 0.00 H new ATOM 0 HD3 PRO A 37 21.087 7.133 -10.756 0.50 0.00 H new ATOM 578 N ALA A 38 16.920 7.026 -9.012 0.50 0.00 N ATOM 579 CA ALA A 38 15.687 6.513 -8.345 0.50 0.00 C ATOM 580 C ALA A 38 15.976 5.196 -7.611 0.50 0.00 C ATOM 581 O ALA A 38 16.599 4.308 -8.158 0.50 0.00 O ATOM 582 CB ALA A 38 14.691 6.282 -9.480 0.50 0.00 C ATOM 0 H ALA A 38 17.325 6.405 -9.712 0.50 0.00 H new ATOM 0 HA ALA A 38 15.307 7.211 -7.599 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.755 5.903 -9.071 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.506 7.223 -9.999 0.50 0.00 H new ATOM 0 HB3 ALA A 38 15.101 5.555 -10.181 0.50 0.00 H new ATOM 588 N PRO A 39 15.508 5.111 -6.388 0.50 0.00 N ATOM 589 CA PRO A 39 15.717 3.891 -5.579 0.50 0.00 C ATOM 590 C PRO A 39 14.675 2.828 -5.929 0.50 0.00 C ATOM 591 O PRO A 39 13.928 2.962 -6.879 0.50 0.00 O ATOM 592 CB PRO A 39 15.516 4.374 -4.147 0.50 0.00 C ATOM 593 CG PRO A 39 14.632 5.581 -4.250 0.50 0.00 C ATOM 594 CD PRO A 39 14.752 6.132 -5.651 0.50 0.00 C ATOM 0 HA PRO A 39 16.693 3.434 -5.746 0.50 0.00 H new ATOM 0 HB2 PRO A 39 15.054 3.601 -3.534 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.469 4.624 -3.680 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.598 5.315 -4.033 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.928 6.333 -3.519 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.771 6.298 -6.097 0.50 0.00 H new ATOM 0 HD3 PRO A 39 15.271 7.091 -5.657 0.50 0.00 H new ATOM 602 N THR A 40 14.609 1.779 -5.153 0.50 0.00 N ATOM 603 CA THR A 40 13.606 0.711 -5.421 0.50 0.00 C ATOM 604 C THR A 40 12.617 0.651 -4.258 0.50 0.00 C ATOM 605 O THR A 40 12.780 -0.113 -3.326 0.50 0.00 O ATOM 606 CB THR A 40 14.403 -0.595 -5.514 0.50 0.00 C ATOM 607 OG1 THR A 40 15.788 -0.307 -5.654 0.50 0.00 O ATOM 608 CG2 THR A 40 13.925 -1.400 -6.725 0.50 0.00 C ATOM 0 H THR A 40 15.208 1.617 -4.344 0.50 0.00 H new ATOM 0 HA THR A 40 13.039 0.892 -6.334 0.50 0.00 H new ATOM 0 HB THR A 40 14.247 -1.175 -4.604 0.50 0.00 H new ATOM 0 HG1 THR A 40 16.292 -1.145 -5.711 0.50 0.00 H new ATOM 0 HG21 THR A 40 14.492 -2.329 -6.791 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.865 -1.629 -6.614 0.50 0.00 H new ATOM 0 HG23 THR A 40 14.077 -0.816 -7.633 0.50 0.00 H new ATOM 616 N VAL A 41 11.594 1.455 -4.307 0.50 0.00 N ATOM 617 CA VAL A 41 10.589 1.459 -3.207 0.50 0.00 C ATOM 618 C VAL A 41 9.520 0.391 -3.470 0.50 0.00 C ATOM 619 O VAL A 41 8.691 0.524 -4.350 0.50 0.00 O ATOM 620 CB VAL A 41 9.992 2.868 -3.226 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.323 3.138 -4.579 0.50 0.00 C ATOM 622 CG2 VAL A 41 8.956 2.997 -2.110 0.50 0.00 C ATOM 0 H VAL A 41 11.409 2.113 -5.064 0.50 0.00 H new ATOM 0 HA VAL A 41 11.024 1.225 -2.235 0.50 0.00 H new ATOM 0 HB VAL A 41 10.789 3.595 -3.072 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.901 4.143 -4.582 0.50 0.00 H new ATOM 0 HG12 VAL A 41 10.063 3.052 -5.374 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.528 2.411 -4.743 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.530 4.000 -2.123 0.50 0.00 H new ATOM 0 HG22 VAL A 41 8.163 2.265 -2.263 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.434 2.818 -1.147 0.50 0.00 H new ATOM 632 N ILE A 42 9.552 -0.681 -2.724 0.50 0.00 N ATOM 633 CA ILE A 42 8.567 -1.779 -2.932 0.50 0.00 C ATOM 634 C ILE A 42 7.416 -1.697 -1.918 0.50 0.00 C ATOM 635 O ILE A 42 7.565 -2.078 -0.774 0.50 0.00 O ATOM 636 CB ILE A 42 9.382 -3.051 -2.699 0.50 0.00 C ATOM 637 CG1 ILE A 42 10.425 -3.201 -3.807 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.458 -4.266 -2.703 0.50 0.00 C ATOM 639 CD1 ILE A 42 11.395 -4.326 -3.444 0.50 0.00 C ATOM 0 H ILE A 42 10.224 -0.843 -1.974 0.50 0.00 H new ATOM 0 HA ILE A 42 8.106 -1.736 -3.919 0.50 0.00 H new ATOM 0 HB ILE A 42 9.883 -2.983 -1.733 0.50 0.00 H new ATOM 0 HG12 ILE A 42 9.935 -3.421 -4.755 0.50 0.00 H new ATOM 0 HG13 ILE A 42 10.969 -2.266 -3.938 0.50 0.00 H new ATOM 0 HG21 ILE A 42 9.044 -5.170 -2.537 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.718 -4.163 -1.910 0.50 0.00 H new ATOM 0 HG23 ILE A 42 7.951 -4.335 -3.666 0.50 0.00 H new ATOM 0 HD11 ILE A 42 12.139 -4.434 -4.233 0.50 0.00 H new ATOM 0 HD12 ILE A 42 11.894 -4.087 -2.505 0.50 0.00 H new ATOM 0 HD13 ILE A 42 10.844 -5.260 -3.335 0.50 0.00 H new ATOM 651 N TRP A 43 6.261 -1.238 -2.334 0.50 0.00 N ATOM 652 CA TRP A 43 5.104 -1.177 -1.388 0.50 0.00 C ATOM 653 C TRP A 43 4.685 -2.607 -1.028 0.50 0.00 C ATOM 654 O TRP A 43 4.051 -3.287 -1.814 0.50 0.00 O ATOM 655 CB TRP A 43 3.979 -0.475 -2.156 0.50 0.00 C ATOM 656 CG TRP A 43 4.319 0.967 -2.367 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.667 1.512 -3.556 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.346 2.054 -1.395 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.910 2.861 -3.375 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.728 3.242 -2.061 0.50 0.00 C ATOM 661 CE3 TRP A 43 4.084 2.125 -0.013 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.845 4.456 -1.383 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.204 3.343 0.671 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.585 4.507 -0.011 0.50 0.00 C ATOM 0 H TRP A 43 6.070 -0.906 -3.279 0.50 0.00 H new ATOM 0 HA TRP A 43 5.344 -0.648 -0.466 0.50 0.00 H new ATOM 0 HB2 TRP A 43 3.825 -0.964 -3.118 0.50 0.00 H new ATOM 0 HB3 TRP A 43 3.044 -0.558 -1.602 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.743 0.980 -4.493 0.50 0.00 H new ATOM 0 HE1 TRP A 43 5.190 3.497 -4.122 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.789 1.235 0.523 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 5.135 5.350 -1.915 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 4.001 3.385 1.731 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.677 5.441 0.523 0.50 0.00 H new ATOM 675 N GLN A 44 5.040 -3.078 0.138 0.50 0.00 N ATOM 676 CA GLN A 44 4.668 -4.473 0.520 0.50 0.00 C ATOM 677 C GLN A 44 3.429 -4.474 1.420 0.50 0.00 C ATOM 678 O GLN A 44 3.008 -3.446 1.912 0.50 0.00 O ATOM 679 CB GLN A 44 5.883 -5.016 1.275 0.50 0.00 C ATOM 680 CG GLN A 44 6.190 -6.440 0.798 0.50 0.00 C ATOM 681 CD GLN A 44 6.648 -7.296 1.983 0.50 0.00 C ATOM 682 OE1 GLN A 44 6.645 -6.849 3.112 0.50 0.00 O ATOM 683 NE2 GLN A 44 7.046 -8.521 1.769 0.50 0.00 N ATOM 0 H GLN A 44 5.569 -2.560 0.840 0.50 0.00 H new ATOM 0 HA GLN A 44 4.421 -5.082 -0.349 0.50 0.00 H new ATOM 0 HB2 GLN A 44 6.746 -4.371 1.107 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.688 -5.015 2.347 0.50 0.00 H new ATOM 0 HG2 GLN A 44 5.303 -6.880 0.341 0.50 0.00 H new ATOM 0 HG3 GLN A 44 6.965 -6.418 0.032 0.50 0.00 H new ATOM 0 HE21 GLN A 44 7.049 -8.898 0.821 0.50 0.00 H new ATOM 0 HE22 GLN A 44 7.354 -9.101 2.550 0.50 0.00 H new ATOM 692 N LYS A 45 2.846 -5.623 1.636 0.50 0.00 N ATOM 693 CA LYS A 45 1.635 -5.698 2.503 0.50 0.00 C ATOM 694 C LYS A 45 2.030 -6.066 3.935 0.50 0.00 C ATOM 695 O LYS A 45 3.045 -6.695 4.167 0.50 0.00 O ATOM 696 CB LYS A 45 0.771 -6.798 1.885 0.50 0.00 C ATOM 697 CG LYS A 45 0.351 -6.387 0.471 0.50 0.00 C ATOM 698 CD LYS A 45 -1.075 -6.872 0.198 0.50 0.00 C ATOM 699 CE LYS A 45 -1.052 -8.361 -0.157 0.50 0.00 C ATOM 700 NZ LYS A 45 -1.522 -9.057 1.073 0.50 0.00 N ATOM 0 H LYS A 45 3.157 -6.514 1.249 0.50 0.00 H new ATOM 0 HA LYS A 45 1.106 -4.746 2.555 0.50 0.00 H new ATOM 0 HB2 LYS A 45 1.326 -7.735 1.852 0.50 0.00 H new ATOM 0 HB3 LYS A 45 -0.111 -6.971 2.501 0.50 0.00 H new ATOM 0 HG2 LYS A 45 0.404 -5.303 0.365 0.50 0.00 H new ATOM 0 HG3 LYS A 45 1.037 -6.812 -0.261 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -1.700 -6.707 1.075 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -1.514 -6.300 -0.619 0.50 0.00 H new ATOM 0 HE2 LYS A 45 -1.703 -8.575 -1.005 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -0.049 -8.685 -0.435 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -1.598 -10.077 0.887 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -0.843 -8.896 1.844 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -2.453 -8.685 1.348 0.50 0.00 H new ATOM 714 N ALA A 46 1.238 -5.675 4.897 0.50 0.00 N ATOM 715 CA ALA A 46 1.562 -5.996 6.316 0.50 0.00 C ATOM 716 C ALA A 46 0.313 -6.501 7.046 0.50 0.00 C ATOM 717 O ALA A 46 -0.789 -6.040 6.808 0.50 0.00 O ATOM 718 CB ALA A 46 2.041 -4.674 6.917 0.50 0.00 C ATOM 0 H ALA A 46 0.377 -5.145 4.760 0.50 0.00 H new ATOM 0 HA ALA A 46 2.314 -6.780 6.402 0.50 0.00 H new ATOM 0 HB1 ALA A 46 2.301 -4.824 7.965 0.50 0.00 H new ATOM 0 HB2 ALA A 46 2.918 -4.323 6.372 0.50 0.00 H new ATOM 0 HB3 ALA A 46 1.247 -3.931 6.843 0.50 0.00 H new ATOM 724 N ILE A 47 0.480 -7.448 7.936 0.50 0.00 N ATOM 725 CA ILE A 47 -0.684 -8.000 8.695 0.50 0.00 C ATOM 726 C ILE A 47 -1.782 -8.461 7.726 0.50 0.00 C ATOM 727 O ILE A 47 -2.949 -8.493 8.063 0.50 0.00 O ATOM 728 CB ILE A 47 -1.170 -6.842 9.567 0.50 0.00 C ATOM 729 CG1 ILE A 47 -0.050 -6.418 10.521 0.50 0.00 C ATOM 730 CG2 ILE A 47 -2.386 -7.282 10.385 0.50 0.00 C ATOM 731 CD1 ILE A 47 0.839 -5.378 9.837 0.50 0.00 C ATOM 0 H ILE A 47 1.381 -7.865 8.171 0.50 0.00 H new ATOM 0 HA ILE A 47 -0.416 -8.870 9.294 0.50 0.00 H new ATOM 0 HB ILE A 47 -1.448 -6.005 8.927 0.50 0.00 H new ATOM 0 HG12 ILE A 47 -0.475 -6.004 11.435 0.50 0.00 H new ATOM 0 HG13 ILE A 47 0.544 -7.285 10.810 0.50 0.00 H new ATOM 0 HG21 ILE A 47 -2.727 -6.452 11.004 0.50 0.00 H new ATOM 0 HG22 ILE A 47 -3.187 -7.586 9.711 0.50 0.00 H new ATOM 0 HG23 ILE A 47 -2.111 -8.122 11.023 0.50 0.00 H new ATOM 0 HD11 ILE A 47 1.636 -5.077 10.517 0.50 0.00 H new ATOM 0 HD12 ILE A 47 1.275 -5.808 8.935 0.50 0.00 H new ATOM 0 HD13 ILE A 47 0.241 -4.507 9.571 0.50 0.00 H new ATOM 743 N THR A 48 -1.411 -8.825 6.529 0.50 0.00 N ATOM 744 CA THR A 48 -2.425 -9.292 5.539 0.50 0.00 C ATOM 745 C THR A 48 -2.458 -10.823 5.501 0.50 0.00 C ATOM 746 O THR A 48 -3.505 -11.428 5.389 0.50 0.00 O ATOM 747 CB THR A 48 -1.959 -8.732 4.193 0.50 0.00 C ATOM 748 OG1 THR A 48 -0.543 -8.812 4.113 0.50 0.00 O ATOM 749 CG2 THR A 48 -2.399 -7.273 4.067 0.50 0.00 C ATOM 0 H THR A 48 -0.448 -8.819 6.193 0.50 0.00 H new ATOM 0 HA THR A 48 -3.431 -8.957 5.791 0.50 0.00 H new ATOM 0 HB THR A 48 -2.401 -9.313 3.384 0.50 0.00 H new ATOM 0 HG1 THR A 48 -0.288 -9.629 3.636 0.50 0.00 H new ATOM 0 HG21 THR A 48 -2.067 -6.874 3.108 0.50 0.00 H new ATOM 0 HG22 THR A 48 -3.486 -7.214 4.128 0.50 0.00 H new ATOM 0 HG23 THR A 48 -1.958 -6.689 4.875 0.50 0.00 H new ATOM 757 N GLN A 49 -1.316 -11.450 5.596 0.50 0.00 N ATOM 758 CA GLN A 49 -1.275 -12.941 5.568 0.50 0.00 C ATOM 759 C GLN A 49 -0.960 -13.485 6.964 0.50 0.00 C ATOM 760 O GLN A 49 -0.202 -12.898 7.711 0.50 0.00 O ATOM 761 CB GLN A 49 -0.153 -13.289 4.589 0.50 0.00 C ATOM 762 CG GLN A 49 -0.741 -13.503 3.193 0.50 0.00 C ATOM 763 CD GLN A 49 -0.703 -12.187 2.415 0.50 0.00 C ATOM 764 OE1 GLN A 49 -1.347 -11.228 2.789 0.50 0.00 O ATOM 765 NE2 GLN A 49 0.030 -12.101 1.339 0.50 0.00 N ATOM 0 H GLN A 49 -0.409 -10.994 5.692 0.50 0.00 H new ATOM 0 HA GLN A 49 -2.227 -13.376 5.265 0.50 0.00 H new ATOM 0 HB2 GLN A 49 0.585 -12.487 4.565 0.50 0.00 H new ATOM 0 HB3 GLN A 49 0.365 -14.189 4.919 0.50 0.00 H new ATOM 0 HG2 GLN A 49 -0.175 -14.268 2.662 0.50 0.00 H new ATOM 0 HG3 GLN A 49 -1.767 -13.862 3.270 0.50 0.00 H new ATOM 0 HE21 GLN A 49 0.571 -12.907 1.025 0.50 0.00 H new ATOM 0 HE22 GLN A 49 0.062 -11.228 0.812 0.50 0.00 H new ATOM 774 N GLY A 50 -1.537 -14.602 7.321 0.50 0.00 N ATOM 775 CA GLY A 50 -1.272 -15.182 8.668 0.50 0.00 C ATOM 776 C GLY A 50 -0.578 -16.537 8.517 0.50 0.00 C ATOM 777 O GLY A 50 0.572 -16.616 8.129 0.50 0.00 O ATOM 0 H GLY A 50 -2.180 -15.137 6.737 0.50 0.00 H new ATOM 0 HA2 GLY A 50 -0.647 -14.505 9.250 0.50 0.00 H new ATOM 0 HA3 GLY A 50 -2.208 -15.300 9.214 0.50 0.00 H new ATOM 781 N ASN A 51 -1.267 -17.604 8.821 0.50 0.00 N ATOM 782 CA ASN A 51 -0.649 -18.955 8.697 0.50 0.00 C ATOM 783 C ASN A 51 -1.523 -19.862 7.826 0.50 0.00 C ATOM 784 O ASN A 51 -2.727 -19.710 7.768 0.50 0.00 O ATOM 785 CB ASN A 51 -0.582 -19.491 10.128 0.50 0.00 C ATOM 786 CG ASN A 51 0.240 -20.782 10.152 0.50 0.00 C ATOM 787 OD1 ASN A 51 1.444 -20.746 10.310 0.50 0.00 O ATOM 788 ND2 ASN A 51 -0.365 -21.928 10.002 0.50 0.00 N ATOM 0 H ASN A 51 -2.232 -17.598 9.150 0.50 0.00 H new ATOM 0 HA ASN A 51 0.334 -18.917 8.227 0.50 0.00 H new ATOM 0 HB2 ASN A 51 -0.131 -18.748 10.785 0.50 0.00 H new ATOM 0 HB3 ASN A 51 -1.587 -19.680 10.504 0.50 0.00 H new ATOM 0 HD21 ASN A 51 0.173 -22.795 10.017 0.50 0.00 H new ATOM 0 HD22 ASN A 51 -1.376 -21.958 9.869 0.50 0.00 H new ATOM 795 N LYS A 52 -0.923 -20.804 7.149 0.50 0.00 N ATOM 796 CA LYS A 52 -1.714 -21.724 6.281 0.50 0.00 C ATOM 797 C LYS A 52 -1.310 -23.176 6.543 0.50 0.00 C ATOM 798 O LYS A 52 -0.764 -23.504 7.578 0.50 0.00 O ATOM 799 CB LYS A 52 -1.372 -21.310 4.844 0.50 0.00 C ATOM 800 CG LYS A 52 0.077 -21.695 4.516 0.50 0.00 C ATOM 801 CD LYS A 52 0.820 -20.485 3.940 0.50 0.00 C ATOM 802 CE LYS A 52 1.981 -20.107 4.865 0.50 0.00 C ATOM 803 NZ LYS A 52 2.105 -18.629 4.742 0.50 0.00 N ATOM 0 H LYS A 52 0.082 -20.976 7.160 0.50 0.00 H new ATOM 0 HA LYS A 52 -2.785 -21.658 6.474 0.50 0.00 H new ATOM 0 HB2 LYS A 52 -2.053 -21.796 4.145 0.50 0.00 H new ATOM 0 HB3 LYS A 52 -1.507 -20.235 4.725 0.50 0.00 H new ATOM 0 HG2 LYS A 52 0.581 -22.048 5.416 0.50 0.00 H new ATOM 0 HG3 LYS A 52 0.091 -22.516 3.800 0.50 0.00 H new ATOM 0 HD2 LYS A 52 1.196 -20.717 2.944 0.50 0.00 H new ATOM 0 HD3 LYS A 52 0.137 -19.642 3.834 0.50 0.00 H new ATOM 0 HE2 LYS A 52 1.778 -20.402 5.894 0.50 0.00 H new ATOM 0 HE3 LYS A 52 2.903 -20.607 4.566 0.50 0.00 H new ATOM 0 HZ1 LYS A 52 2.881 -18.294 5.348 0.50 0.00 H new ATOM 0 HZ2 LYS A 52 2.305 -18.379 3.753 0.50 0.00 H new ATOM 0 HZ3 LYS A 52 1.215 -18.180 5.040 0.50 0.00 H new ATOM 817 N ALA A 53 -1.575 -24.044 5.608 0.50 0.00 N ATOM 818 CA ALA A 53 -1.207 -25.478 5.791 0.50 0.00 C ATOM 819 C ALA A 53 0.316 -25.642 5.745 0.50 0.00 C ATOM 820 O ALA A 53 1.018 -24.765 5.281 0.50 0.00 O ATOM 821 CB ALA A 53 -1.862 -26.213 4.622 0.50 0.00 C ATOM 0 H ALA A 53 -2.031 -23.823 4.723 0.50 0.00 H new ATOM 0 HA ALA A 53 -1.541 -25.869 6.752 0.50 0.00 H new ATOM 0 HB1 ALA A 53 -1.635 -27.277 4.688 0.50 0.00 H new ATOM 0 HB2 ALA A 53 -2.942 -26.069 4.661 0.50 0.00 H new ATOM 0 HB3 ALA A 53 -1.477 -25.818 3.682 0.50 0.00 H new ATOM 827 N PRO A 54 0.779 -26.763 6.234 0.50 0.00 N ATOM 828 CA PRO A 54 2.234 -27.038 6.251 0.50 0.00 C ATOM 829 C PRO A 54 2.714 -27.485 4.867 0.50 0.00 C ATOM 830 O PRO A 54 1.927 -27.805 3.998 0.50 0.00 O ATOM 831 CB PRO A 54 2.371 -28.173 7.260 0.50 0.00 C ATOM 832 CG PRO A 54 1.041 -28.862 7.269 0.50 0.00 C ATOM 833 CD PRO A 54 0.002 -27.867 6.811 0.50 0.00 C ATOM 0 HA PRO A 54 2.830 -26.163 6.512 0.50 0.00 H new ATOM 0 HB2 PRO A 54 3.167 -28.860 6.973 0.50 0.00 H new ATOM 0 HB3 PRO A 54 2.622 -27.791 8.249 0.50 0.00 H new ATOM 0 HG2 PRO A 54 1.056 -29.730 6.609 0.50 0.00 H new ATOM 0 HG3 PRO A 54 0.806 -29.226 8.269 0.50 0.00 H new ATOM 0 HD2 PRO A 54 -0.671 -28.306 6.074 0.50 0.00 H new ATOM 0 HD3 PRO A 54 -0.615 -27.526 7.643 0.50 0.00 H new ATOM 841 N ALA A 55 4.006 -27.511 4.659 0.50 0.00 N ATOM 842 CA ALA A 55 4.556 -27.939 3.337 0.50 0.00 C ATOM 843 C ALA A 55 3.895 -27.159 2.195 0.50 0.00 C ATOM 844 O ALA A 55 3.091 -26.274 2.417 0.50 0.00 O ATOM 845 CB ALA A 55 4.224 -29.428 3.229 0.50 0.00 C ATOM 0 H ALA A 55 4.708 -27.252 5.353 0.50 0.00 H new ATOM 0 HA ALA A 55 5.627 -27.751 3.264 0.50 0.00 H new ATOM 0 HB1 ALA A 55 4.597 -29.816 2.281 0.50 0.00 H new ATOM 0 HB2 ALA A 55 4.694 -29.966 4.052 0.50 0.00 H new ATOM 0 HB3 ALA A 55 3.144 -29.564 3.277 0.50 0.00 H new ATOM 851 N ARG A 56 4.229 -27.485 0.975 0.50 0.00 N ATOM 852 CA ARG A 56 3.625 -26.770 -0.189 0.50 0.00 C ATOM 853 C ARG A 56 3.300 -27.766 -1.307 0.50 0.00 C ATOM 854 O ARG A 56 4.006 -27.849 -2.293 0.50 0.00 O ATOM 855 CB ARG A 56 4.689 -25.768 -0.643 0.50 0.00 C ATOM 856 CG ARG A 56 6.038 -26.473 -0.818 0.50 0.00 C ATOM 857 CD ARG A 56 7.084 -25.462 -1.297 0.50 0.00 C ATOM 858 NE ARG A 56 7.774 -25.009 -0.057 0.50 0.00 N ATOM 859 CZ ARG A 56 9.070 -24.859 -0.050 0.50 0.00 C ATOM 860 NH1 ARG A 56 9.648 -24.127 -0.964 0.50 0.00 N ATOM 861 NH2 ARG A 56 9.789 -25.441 0.871 0.50 0.00 N ATOM 0 H ARG A 56 4.896 -28.218 0.733 0.50 0.00 H new ATOM 0 HA ARG A 56 2.691 -26.271 0.071 0.50 0.00 H new ATOM 0 HB2 ARG A 56 4.387 -25.306 -1.583 0.50 0.00 H new ATOM 0 HB3 ARG A 56 4.781 -24.967 0.090 0.50 0.00 H new ATOM 0 HG2 ARG A 56 6.353 -26.919 0.126 0.50 0.00 H new ATOM 0 HG3 ARG A 56 5.945 -27.285 -1.539 0.50 0.00 H new ATOM 0 HD2 ARG A 56 7.785 -25.919 -1.995 0.50 0.00 H new ATOM 0 HD3 ARG A 56 6.616 -24.626 -1.817 0.50 0.00 H new ATOM 0 HE ARG A 56 7.233 -24.816 0.786 0.50 0.00 H new ATOM 0 HH11 ARG A 56 9.086 -23.672 -1.684 0.50 0.00 H new ATOM 0 HH12 ARG A 56 10.661 -24.010 -0.958 0.50 0.00 H new ATOM 0 HH21 ARG A 56 9.338 -26.013 1.585 0.50 0.00 H new ATOM 0 HH22 ARG A 56 10.802 -25.324 0.877 0.50 0.00 H new ATOM 875 N PRO A 57 2.234 -28.497 -1.113 0.50 0.00 N ATOM 876 CA PRO A 57 1.810 -29.504 -2.114 0.50 0.00 C ATOM 877 C PRO A 57 1.150 -28.822 -3.316 0.50 0.00 C ATOM 878 O PRO A 57 1.256 -27.625 -3.498 0.50 0.00 O ATOM 879 CB PRO A 57 0.803 -30.362 -1.355 0.50 0.00 C ATOM 880 CG PRO A 57 0.272 -29.480 -0.267 0.50 0.00 C ATOM 881 CD PRO A 57 1.333 -28.453 0.045 0.50 0.00 C ATOM 0 HA PRO A 57 2.641 -30.084 -2.515 0.50 0.00 H new ATOM 0 HB2 PRO A 57 0.002 -30.702 -2.012 0.50 0.00 H new ATOM 0 HB3 PRO A 57 1.277 -31.253 -0.943 0.50 0.00 H new ATOM 0 HG2 PRO A 57 -0.650 -28.994 -0.584 0.50 0.00 H new ATOM 0 HG3 PRO A 57 0.034 -30.067 0.620 0.50 0.00 H new ATOM 0 HD2 PRO A 57 0.900 -27.461 0.174 0.50 0.00 H new ATOM 0 HD3 PRO A 57 1.860 -28.694 0.968 0.50 0.00 H new ATOM 889 N ALA A 58 0.471 -29.578 -4.138 0.50 0.00 N ATOM 890 CA ALA A 58 -0.196 -28.978 -5.333 0.50 0.00 C ATOM 891 C ALA A 58 -1.168 -27.872 -4.900 0.50 0.00 C ATOM 892 O ALA A 58 -1.686 -27.900 -3.802 0.50 0.00 O ATOM 893 CB ALA A 58 -0.956 -30.133 -5.986 0.50 0.00 C ATOM 0 H ALA A 58 0.349 -30.585 -4.034 0.50 0.00 H new ATOM 0 HA ALA A 58 0.519 -28.522 -6.018 0.50 0.00 H new ATOM 0 HB1 ALA A 58 -1.474 -29.772 -6.874 0.50 0.00 H new ATOM 0 HB2 ALA A 58 -0.253 -30.917 -6.270 0.50 0.00 H new ATOM 0 HB3 ALA A 58 -1.683 -30.535 -5.280 0.50 0.00 H new ATOM 899 N PRO A 59 -1.383 -26.928 -5.782 0.50 0.00 N ATOM 900 CA PRO A 59 -2.302 -25.804 -5.479 0.50 0.00 C ATOM 901 C PRO A 59 -3.756 -26.281 -5.506 0.50 0.00 C ATOM 902 O PRO A 59 -4.342 -26.457 -6.558 0.50 0.00 O ATOM 903 CB PRO A 59 -2.035 -24.807 -6.604 0.50 0.00 C ATOM 904 CG PRO A 59 -1.504 -25.630 -7.734 0.50 0.00 C ATOM 905 CD PRO A 59 -0.801 -26.817 -7.127 0.50 0.00 C ATOM 0 HA PRO A 59 -2.142 -25.374 -4.490 0.50 0.00 H new ATOM 0 HB2 PRO A 59 -2.947 -24.283 -6.892 0.50 0.00 H new ATOM 0 HB3 PRO A 59 -1.315 -24.048 -6.296 0.50 0.00 H new ATOM 0 HG2 PRO A 59 -2.314 -25.955 -8.387 0.50 0.00 H new ATOM 0 HG3 PRO A 59 -0.816 -25.046 -8.345 0.50 0.00 H new ATOM 0 HD2 PRO A 59 -0.970 -27.722 -7.711 0.50 0.00 H new ATOM 0 HD3 PRO A 59 0.277 -26.663 -7.084 0.50 0.00 H new ATOM 913 N ASP A 60 -4.343 -26.489 -4.359 0.50 0.00 N ATOM 914 CA ASP A 60 -5.760 -26.953 -4.314 0.50 0.00 C ATOM 915 C ASP A 60 -6.557 -26.112 -3.317 0.50 0.00 C ATOM 916 O ASP A 60 -7.000 -26.611 -2.303 0.50 0.00 O ATOM 917 CB ASP A 60 -5.692 -28.405 -3.838 0.50 0.00 C ATOM 918 CG ASP A 60 -4.874 -29.233 -4.832 0.50 0.00 C ATOM 919 OD1 ASP A 60 -3.664 -29.079 -4.847 0.50 0.00 O ATOM 920 OD2 ASP A 60 -5.472 -30.008 -5.561 0.50 0.00 O ATOM 0 H ASP A 60 -3.902 -26.357 -3.449 0.50 0.00 H new ATOM 0 HA ASP A 60 -6.251 -26.862 -5.283 0.50 0.00 H new ATOM 0 HB2 ASP A 60 -5.238 -28.453 -2.848 0.50 0.00 H new ATOM 0 HB3 ASP A 60 -6.697 -28.816 -3.747 0.50 0.00 H new ATOM 925 N ALA A 61 -6.738 -24.843 -3.597 0.50 0.00 N ATOM 926 CA ALA A 61 -7.507 -23.955 -2.663 0.50 0.00 C ATOM 927 C ALA A 61 -8.748 -24.682 -2.126 0.50 0.00 C ATOM 928 O ALA A 61 -9.765 -24.741 -2.790 0.50 0.00 O ATOM 929 CB ALA A 61 -7.921 -22.754 -3.515 0.50 0.00 C ATOM 0 H ALA A 61 -6.385 -24.381 -4.435 0.50 0.00 H new ATOM 0 HA ALA A 61 -6.915 -23.662 -1.796 0.50 0.00 H new ATOM 0 HB1 ALA A 61 -8.490 -22.054 -2.904 0.50 0.00 H new ATOM 0 HB2 ALA A 61 -7.031 -22.258 -3.902 0.50 0.00 H new ATOM 0 HB3 ALA A 61 -8.537 -23.094 -4.347 0.50 0.00 H new ATOM 935 N PRO A 62 -8.616 -25.229 -0.944 0.50 0.00 N ATOM 936 CA PRO A 62 -9.723 -25.975 -0.322 0.50 0.00 C ATOM 937 C PRO A 62 -10.575 -25.046 0.548 0.50 0.00 C ATOM 938 O PRO A 62 -10.202 -23.920 0.817 0.50 0.00 O ATOM 939 CB PRO A 62 -8.991 -27.006 0.533 0.50 0.00 C ATOM 940 CG PRO A 62 -7.642 -26.407 0.834 0.50 0.00 C ATOM 941 CD PRO A 62 -7.439 -25.215 -0.073 0.50 0.00 C ATOM 0 HA PRO A 62 -10.410 -26.421 -1.041 0.50 0.00 H new ATOM 0 HB2 PRO A 62 -9.540 -27.213 1.451 0.50 0.00 H new ATOM 0 HB3 PRO A 62 -8.889 -27.952 0.002 0.50 0.00 H new ATOM 0 HG2 PRO A 62 -7.586 -26.103 1.879 0.50 0.00 H new ATOM 0 HG3 PRO A 62 -6.855 -27.144 0.674 0.50 0.00 H new ATOM 0 HD2 PRO A 62 -7.374 -24.287 0.495 0.50 0.00 H new ATOM 0 HD3 PRO A 62 -6.516 -25.302 -0.647 0.50 0.00 H new ATOM 949 N GLU A 63 -11.714 -25.508 0.989 0.50 0.00 N ATOM 950 CA GLU A 63 -12.589 -24.653 1.843 0.50 0.00 C ATOM 951 C GLU A 63 -12.940 -25.386 3.141 0.50 0.00 C ATOM 952 O GLU A 63 -13.033 -26.597 3.174 0.50 0.00 O ATOM 953 CB GLU A 63 -13.847 -24.402 1.006 0.50 0.00 C ATOM 954 CG GLU A 63 -14.480 -25.738 0.610 0.50 0.00 C ATOM 955 CD GLU A 63 -15.801 -25.480 -0.116 0.50 0.00 C ATOM 956 OE1 GLU A 63 -16.574 -24.671 0.371 0.50 0.00 O ATOM 957 OE2 GLU A 63 -16.018 -26.095 -1.147 0.50 0.00 O ATOM 0 H GLU A 63 -12.077 -26.441 0.795 0.50 0.00 H new ATOM 0 HA GLU A 63 -12.102 -23.721 2.128 0.50 0.00 H new ATOM 0 HB2 GLU A 63 -14.560 -23.805 1.575 0.50 0.00 H new ATOM 0 HB3 GLU A 63 -13.593 -23.830 0.113 0.50 0.00 H new ATOM 0 HG2 GLU A 63 -13.802 -26.297 -0.034 0.50 0.00 H new ATOM 0 HG3 GLU A 63 -14.653 -26.348 1.497 0.50 0.00 H new ATOM 964 N ASP A 64 -13.130 -24.660 4.210 0.50 0.00 N ATOM 965 CA ASP A 64 -13.470 -25.313 5.509 0.50 0.00 C ATOM 966 C ASP A 64 -14.855 -24.862 5.985 0.50 0.00 C ATOM 967 O ASP A 64 -14.991 -23.868 6.670 0.50 0.00 O ATOM 968 CB ASP A 64 -12.389 -24.841 6.481 0.50 0.00 C ATOM 969 CG ASP A 64 -11.044 -25.451 6.087 0.50 0.00 C ATOM 970 OD1 ASP A 64 -10.768 -26.558 6.519 0.50 0.00 O ATOM 971 OD2 ASP A 64 -10.311 -24.801 5.359 0.50 0.00 O ATOM 0 H ASP A 64 -13.065 -23.643 4.241 0.50 0.00 H new ATOM 0 HA ASP A 64 -13.503 -26.400 5.429 0.50 0.00 H new ATOM 0 HB2 ASP A 64 -12.324 -23.753 6.468 0.50 0.00 H new ATOM 0 HB3 ASP A 64 -12.648 -25.133 7.499 0.50 0.00 H new ATOM 976 N THR A 65 -15.881 -25.589 5.629 0.50 0.00 N ATOM 977 CA THR A 65 -17.258 -25.204 6.062 0.50 0.00 C ATOM 978 C THR A 65 -18.040 -26.443 6.506 0.50 0.00 C ATOM 979 O THR A 65 -19.201 -26.603 6.183 0.50 0.00 O ATOM 980 CB THR A 65 -17.904 -24.580 4.824 0.50 0.00 C ATOM 981 OG1 THR A 65 -17.690 -25.428 3.703 0.50 0.00 O ATOM 982 CG2 THR A 65 -17.285 -23.207 4.551 0.50 0.00 C ATOM 0 H THR A 65 -15.826 -26.432 5.058 0.50 0.00 H new ATOM 0 HA THR A 65 -17.246 -24.516 6.907 0.50 0.00 H new ATOM 0 HB THR A 65 -18.974 -24.462 4.996 0.50 0.00 H new ATOM 0 HG1 THR A 65 -18.105 -25.031 2.909 0.50 0.00 H new ATOM 0 HG21 THR A 65 -17.749 -22.768 3.668 0.50 0.00 H new ATOM 0 HG22 THR A 65 -17.450 -22.556 5.410 0.50 0.00 H new ATOM 0 HG23 THR A 65 -16.214 -23.318 4.381 0.50 0.00 H new ATOM 990 N GLY A 66 -17.413 -27.321 7.244 0.50 0.00 N ATOM 991 CA GLY A 66 -18.121 -28.549 7.709 0.50 0.00 C ATOM 992 C GLY A 66 -17.801 -29.711 6.767 0.50 0.00 C ATOM 993 O GLY A 66 -17.424 -30.784 7.196 0.50 0.00 O ATOM 0 H GLY A 66 -16.442 -27.240 7.545 0.50 0.00 H new ATOM 0 HA2 GLY A 66 -17.814 -28.796 8.725 0.50 0.00 H new ATOM 0 HA3 GLY A 66 -19.196 -28.374 7.735 0.50 0.00 H new ATOM 997 N ASP A 67 -17.949 -29.504 5.486 0.50 0.00 N ATOM 998 CA ASP A 67 -17.653 -30.594 4.511 0.50 0.00 C ATOM 999 C ASP A 67 -17.579 -30.026 3.091 0.50 0.00 C ATOM 1000 O ASP A 67 -17.884 -28.872 2.859 0.50 0.00 O ATOM 1001 CB ASP A 67 -18.824 -31.570 4.639 0.50 0.00 C ATOM 1002 CG ASP A 67 -18.305 -33.006 4.545 0.50 0.00 C ATOM 1003 OD1 ASP A 67 -17.827 -33.510 5.548 0.50 0.00 O ATOM 1004 OD2 ASP A 67 -18.396 -33.579 3.471 0.50 0.00 O ATOM 0 H ASP A 67 -18.262 -28.626 5.072 0.50 0.00 H new ATOM 0 HA ASP A 67 -16.697 -31.078 4.710 0.50 0.00 H new ATOM 0 HB2 ASP A 67 -19.335 -31.418 5.590 0.50 0.00 H new ATOM 0 HB3 ASP A 67 -19.554 -31.384 3.851 0.50 0.00 H new ATOM 1009 N SER A 68 -17.176 -30.827 2.141 0.50 0.00 N ATOM 1010 CA SER A 68 -17.082 -30.331 0.736 0.50 0.00 C ATOM 1011 C SER A 68 -18.483 -30.127 0.154 0.50 0.00 C ATOM 1012 O SER A 68 -19.124 -31.062 -0.286 0.50 0.00 O ATOM 1013 CB SER A 68 -16.339 -31.429 -0.024 0.50 0.00 C ATOM 1014 OG SER A 68 -14.957 -31.372 0.305 0.50 0.00 O ATOM 0 H SER A 68 -16.908 -31.802 2.276 0.50 0.00 H new ATOM 0 HA SER A 68 -16.568 -29.372 0.670 0.50 0.00 H new ATOM 0 HB2 SER A 68 -16.747 -32.406 0.234 0.50 0.00 H new ATOM 0 HB3 SER A 68 -16.475 -31.301 -1.098 0.50 0.00 H new ATOM 0 HG SER A 68 -14.476 -32.076 -0.179 0.50 0.00 H new ATOM 1020 N ASP A 69 -18.962 -28.911 0.147 0.50 0.00 N ATOM 1021 CA ASP A 69 -20.323 -28.644 -0.406 0.50 0.00 C ATOM 1022 C ASP A 69 -20.333 -28.867 -1.922 0.50 0.00 C ATOM 1023 O ASP A 69 -19.426 -29.454 -2.479 0.50 0.00 O ATOM 1024 CB ASP A 69 -20.611 -27.177 -0.077 0.50 0.00 C ATOM 1025 CG ASP A 69 -19.518 -26.286 -0.671 0.50 0.00 C ATOM 1026 OD1 ASP A 69 -18.407 -26.332 -0.168 0.50 0.00 O ATOM 1027 OD2 ASP A 69 -19.809 -25.576 -1.618 0.50 0.00 O ATOM 0 H ASP A 69 -18.470 -28.091 0.500 0.50 0.00 H new ATOM 0 HA ASP A 69 -21.075 -29.309 0.018 0.50 0.00 H new ATOM 0 HB2 ASP A 69 -21.584 -26.890 -0.477 0.50 0.00 H new ATOM 0 HB3 ASP A 69 -20.657 -27.040 1.003 0.50 0.00 H new ATOM 1032 N GLU A 70 -21.355 -28.403 -2.590 0.50 0.00 N ATOM 1033 CA GLU A 70 -21.429 -28.587 -4.070 0.50 0.00 C ATOM 1034 C GLU A 70 -20.682 -27.458 -4.785 0.50 0.00 C ATOM 1035 O GLU A 70 -19.921 -26.724 -4.184 0.50 0.00 O ATOM 1036 CB GLU A 70 -22.923 -28.542 -4.404 0.50 0.00 C ATOM 1037 CG GLU A 70 -23.516 -27.195 -3.974 0.50 0.00 C ATOM 1038 CD GLU A 70 -24.423 -27.397 -2.758 0.50 0.00 C ATOM 1039 OE1 GLU A 70 -25.256 -28.287 -2.807 0.50 0.00 O ATOM 1040 OE2 GLU A 70 -24.271 -26.658 -1.800 0.50 0.00 O ATOM 0 H GLU A 70 -22.142 -27.904 -2.175 0.50 0.00 H new ATOM 0 HA GLU A 70 -20.969 -29.522 -4.391 0.50 0.00 H new ATOM 0 HB2 GLU A 70 -23.069 -28.688 -5.474 0.50 0.00 H new ATOM 0 HB3 GLU A 70 -23.442 -29.356 -3.897 0.50 0.00 H new ATOM 0 HG2 GLU A 70 -22.716 -26.495 -3.731 0.50 0.00 H new ATOM 0 HG3 GLU A 70 -24.084 -26.758 -4.795 0.50 0.00 H new ATOM 1047 N TRP A 71 -20.896 -27.317 -6.066 0.50 0.00 N ATOM 1048 CA TRP A 71 -20.204 -26.238 -6.828 0.50 0.00 C ATOM 1049 C TRP A 71 -21.171 -25.085 -7.105 0.50 0.00 C ATOM 1050 O TRP A 71 -22.280 -25.289 -7.557 0.50 0.00 O ATOM 1051 CB TRP A 71 -19.769 -26.898 -8.134 0.50 0.00 C ATOM 1052 CG TRP A 71 -18.901 -25.956 -8.892 0.50 0.00 C ATOM 1053 CD1 TRP A 71 -19.281 -25.264 -9.986 0.50 0.00 C ATOM 1054 CD2 TRP A 71 -17.520 -25.587 -8.630 0.50 0.00 C ATOM 1055 NE1 TRP A 71 -18.219 -24.494 -10.418 0.50 0.00 N ATOM 1056 CE2 TRP A 71 -17.109 -24.660 -9.613 0.50 0.00 C ATOM 1057 CE3 TRP A 71 -16.593 -25.967 -7.644 0.50 0.00 C ATOM 1058 CZ2 TRP A 71 -15.823 -24.126 -9.619 0.50 0.00 C ATOM 1059 CZ3 TRP A 71 -15.297 -25.431 -7.645 0.50 0.00 C ATOM 1060 CH2 TRP A 71 -14.911 -24.512 -8.631 0.50 0.00 C ATOM 0 H TRP A 71 -21.521 -27.904 -6.618 0.50 0.00 H new ATOM 0 HA TRP A 71 -19.360 -25.819 -6.281 0.50 0.00 H new ATOM 0 HB2 TRP A 71 -19.229 -27.822 -7.926 0.50 0.00 H new ATOM 0 HB3 TRP A 71 -20.642 -27.166 -8.729 0.50 0.00 H new ATOM 0 HD1 TRP A 71 -20.256 -25.305 -10.448 0.50 0.00 H new ATOM 0 HE1 TRP A 71 -18.250 -23.879 -11.231 0.50 0.00 H new ATOM 0 HE3 TRP A 71 -16.880 -26.676 -6.881 0.50 0.00 H new ATOM 0 HZ2 TRP A 71 -15.532 -23.419 -10.381 0.50 0.00 H new ATOM 0 HZ3 TRP A 71 -14.592 -25.728 -6.882 0.50 0.00 H new ATOM 0 HH2 TRP A 71 -13.911 -24.103 -8.628 0.50 0.00 H new ATOM 1071 N VAL A 72 -20.759 -23.874 -6.839 0.50 0.00 N ATOM 1072 CA VAL A 72 -21.655 -22.707 -7.087 0.50 0.00 C ATOM 1073 C VAL A 72 -21.080 -21.824 -8.206 0.50 0.00 C ATOM 1074 O VAL A 72 -21.295 -22.079 -9.375 0.50 0.00 O ATOM 1075 CB VAL A 72 -21.709 -21.962 -5.750 0.50 0.00 C ATOM 1076 CG1 VAL A 72 -22.540 -20.685 -5.903 0.50 0.00 C ATOM 1077 CG2 VAL A 72 -22.355 -22.861 -4.693 0.50 0.00 C ATOM 0 H VAL A 72 -19.841 -23.642 -6.461 0.50 0.00 H new ATOM 0 HA VAL A 72 -22.651 -23.003 -7.417 0.50 0.00 H new ATOM 0 HB VAL A 72 -20.696 -21.701 -5.442 0.50 0.00 H new ATOM 0 HG11 VAL A 72 -22.576 -20.158 -4.950 0.50 0.00 H new ATOM 0 HG12 VAL A 72 -22.084 -20.042 -6.656 0.50 0.00 H new ATOM 0 HG13 VAL A 72 -23.552 -20.945 -6.212 0.50 0.00 H new ATOM 0 HG21 VAL A 72 -22.394 -22.332 -3.741 0.50 0.00 H new ATOM 0 HG22 VAL A 72 -23.366 -23.121 -5.006 0.50 0.00 H new ATOM 0 HG23 VAL A 72 -21.765 -23.770 -4.579 0.50 0.00 H new ATOM 1087 N PHE A 73 -20.351 -20.792 -7.864 0.50 0.00 N ATOM 1088 CA PHE A 73 -19.769 -19.903 -8.914 0.50 0.00 C ATOM 1089 C PHE A 73 -18.814 -18.889 -8.280 0.50 0.00 C ATOM 1090 O PHE A 73 -17.626 -18.896 -8.539 0.50 0.00 O ATOM 1091 CB PHE A 73 -20.967 -19.189 -9.543 0.50 0.00 C ATOM 1092 CG PHE A 73 -20.514 -18.432 -10.767 0.50 0.00 C ATOM 1093 CD1 PHE A 73 -19.959 -19.121 -11.852 0.50 0.00 C ATOM 1094 CD2 PHE A 73 -20.648 -17.039 -10.819 0.50 0.00 C ATOM 1095 CE1 PHE A 73 -19.539 -18.418 -12.988 0.50 0.00 C ATOM 1096 CE2 PHE A 73 -20.229 -16.336 -11.954 0.50 0.00 C ATOM 1097 CZ PHE A 73 -19.673 -17.025 -13.039 0.50 0.00 C ATOM 0 H PHE A 73 -20.134 -20.527 -6.903 0.50 0.00 H new ATOM 0 HA PHE A 73 -19.195 -20.462 -9.653 0.50 0.00 H new ATOM 0 HB2 PHE A 73 -21.735 -19.914 -9.814 0.50 0.00 H new ATOM 0 HB3 PHE A 73 -21.415 -18.504 -8.823 0.50 0.00 H new ATOM 0 HD1 PHE A 73 -19.855 -20.195 -11.813 0.50 0.00 H new ATOM 0 HD2 PHE A 73 -21.075 -16.507 -9.982 0.50 0.00 H new ATOM 0 HE1 PHE A 73 -19.112 -18.950 -13.825 0.50 0.00 H new ATOM 0 HE2 PHE A 73 -20.334 -15.262 -11.993 0.50 0.00 H new ATOM 0 HZ PHE A 73 -19.348 -16.482 -13.914 0.50 0.00 H new ATOM 1107 N ASP A 74 -19.325 -18.017 -7.452 0.50 0.00 N ATOM 1108 CA ASP A 74 -18.448 -17.000 -6.800 0.50 0.00 C ATOM 1109 C ASP A 74 -17.808 -17.585 -5.539 0.50 0.00 C ATOM 1110 O ASP A 74 -18.488 -18.028 -4.634 0.50 0.00 O ATOM 1111 CB ASP A 74 -19.383 -15.844 -6.441 0.50 0.00 C ATOM 1112 CG ASP A 74 -18.603 -14.528 -6.470 0.50 0.00 C ATOM 1113 OD1 ASP A 74 -18.407 -14.003 -7.554 0.50 0.00 O ATOM 1114 OD2 ASP A 74 -18.216 -14.067 -5.409 0.50 0.00 O ATOM 0 H ASP A 74 -20.312 -17.965 -7.199 0.50 0.00 H new ATOM 0 HA ASP A 74 -17.633 -16.679 -7.449 0.50 0.00 H new ATOM 0 HB2 ASP A 74 -20.214 -15.802 -7.145 0.50 0.00 H new ATOM 0 HB3 ASP A 74 -19.812 -16.003 -5.452 0.50 0.00 H new ATOM 1119 N LYS A 75 -16.503 -17.588 -5.473 0.50 0.00 N ATOM 1120 CA LYS A 75 -15.815 -18.143 -4.272 0.50 0.00 C ATOM 1121 C LYS A 75 -14.332 -17.763 -4.290 0.50 0.00 C ATOM 1122 O LYS A 75 -13.488 -18.495 -3.812 0.50 0.00 O ATOM 1123 CB LYS A 75 -15.983 -19.660 -4.384 0.50 0.00 C ATOM 1124 CG LYS A 75 -16.428 -20.230 -3.034 0.50 0.00 C ATOM 1125 CD LYS A 75 -17.458 -21.341 -3.260 0.50 0.00 C ATOM 1126 CE LYS A 75 -18.560 -21.242 -2.202 0.50 0.00 C ATOM 1127 NZ LYS A 75 -17.962 -21.824 -0.968 0.50 0.00 N ATOM 0 H LYS A 75 -15.884 -17.230 -6.200 0.50 0.00 H new ATOM 0 HA LYS A 75 -16.230 -17.755 -3.342 0.50 0.00 H new ATOM 0 HB2 LYS A 75 -16.720 -19.899 -5.151 0.50 0.00 H new ATOM 0 HB3 LYS A 75 -15.043 -20.118 -4.691 0.50 0.00 H new ATOM 0 HG2 LYS A 75 -15.568 -20.623 -2.492 0.50 0.00 H new ATOM 0 HG3 LYS A 75 -16.859 -19.440 -2.419 0.50 0.00 H new ATOM 0 HD2 LYS A 75 -17.889 -21.254 -4.258 0.50 0.00 H new ATOM 0 HD3 LYS A 75 -16.974 -22.316 -3.206 0.50 0.00 H new ATOM 0 HE2 LYS A 75 -18.863 -20.207 -2.044 0.50 0.00 H new ATOM 0 HE3 LYS A 75 -19.450 -21.792 -2.507 0.50 0.00 H new ATOM 0 HZ1 LYS A 75 -18.663 -22.428 -0.494 0.50 0.00 H new ATOM 0 HZ2 LYS A 75 -17.129 -22.393 -1.221 0.50 0.00 H new ATOM 0 HZ3 LYS A 75 -17.675 -21.057 -0.326 0.50 0.00 H new ATOM 1141 N LYS A 76 -14.011 -16.622 -4.841 0.50 0.00 N ATOM 1142 CA LYS A 76 -12.583 -16.192 -4.892 0.50 0.00 C ATOM 1143 C LYS A 76 -12.494 -14.668 -5.013 0.50 0.00 C ATOM 1144 O LYS A 76 -12.771 -14.102 -6.052 0.50 0.00 O ATOM 1145 CB LYS A 76 -12.012 -16.863 -6.142 0.50 0.00 C ATOM 1146 CG LYS A 76 -10.538 -17.199 -5.913 0.50 0.00 C ATOM 1147 CD LYS A 76 -10.182 -18.479 -6.670 0.50 0.00 C ATOM 1148 CE LYS A 76 -10.165 -18.194 -8.174 0.50 0.00 C ATOM 1149 NZ LYS A 76 -9.032 -19.003 -8.705 0.50 0.00 N ATOM 0 H LYS A 76 -14.676 -15.970 -5.258 0.50 0.00 H new ATOM 0 HA LYS A 76 -12.035 -16.472 -3.992 0.50 0.00 H new ATOM 0 HB2 LYS A 76 -12.572 -17.770 -6.368 0.50 0.00 H new ATOM 0 HB3 LYS A 76 -12.116 -16.202 -7.002 0.50 0.00 H new ATOM 0 HG2 LYS A 76 -9.910 -16.376 -6.253 0.50 0.00 H new ATOM 0 HG3 LYS A 76 -10.345 -17.328 -4.848 0.50 0.00 H new ATOM 0 HD2 LYS A 76 -9.208 -18.846 -6.347 0.50 0.00 H new ATOM 0 HD3 LYS A 76 -10.907 -19.261 -6.445 0.50 0.00 H new ATOM 0 HE2 LYS A 76 -11.108 -18.480 -8.641 0.50 0.00 H new ATOM 0 HE3 LYS A 76 -10.020 -17.132 -8.373 0.50 0.00 H new ATOM 0 HZ1 LYS A 76 -8.955 -18.861 -9.732 0.50 0.00 H new ATOM 0 HZ2 LYS A 76 -8.147 -18.704 -8.247 0.50 0.00 H new ATOM 0 HZ3 LYS A 76 -9.201 -20.010 -8.507 0.50 0.00 H new ATOM 1163 N LEU A 77 -12.110 -14.003 -3.956 0.50 0.00 N ATOM 1164 CA LEU A 77 -12.002 -12.514 -4.006 0.50 0.00 C ATOM 1165 C LEU A 77 -10.558 -12.100 -4.306 0.50 0.00 C ATOM 1166 O LEU A 77 -9.976 -11.293 -3.608 0.50 0.00 O ATOM 1167 CB LEU A 77 -12.422 -12.040 -2.613 0.50 0.00 C ATOM 1168 CG LEU A 77 -13.449 -10.913 -2.742 0.50 0.00 C ATOM 1169 CD1 LEU A 77 -14.077 -10.636 -1.375 0.50 0.00 C ATOM 1170 CD2 LEU A 77 -12.755 -9.647 -3.249 0.50 0.00 C ATOM 0 H LEU A 77 -11.866 -14.425 -3.060 0.50 0.00 H new ATOM 0 HA LEU A 77 -12.625 -12.079 -4.788 0.50 0.00 H new ATOM 0 HB2 LEU A 77 -12.847 -12.870 -2.048 0.50 0.00 H new ATOM 0 HB3 LEU A 77 -11.551 -11.690 -2.059 0.50 0.00 H new ATOM 0 HG LEU A 77 -14.227 -11.209 -3.446 0.50 0.00 H new ATOM 0 HD11 LEU A 77 -14.809 -9.833 -1.467 0.50 0.00 H new ATOM 0 HD12 LEU A 77 -14.571 -11.537 -1.012 0.50 0.00 H new ATOM 0 HD13 LEU A 77 -13.300 -10.340 -0.671 0.50 0.00 H new ATOM 0 HD21 LEU A 77 -13.486 -8.844 -3.341 0.50 0.00 H new ATOM 0 HD22 LEU A 77 -11.978 -9.351 -2.545 0.50 0.00 H new ATOM 0 HD23 LEU A 77 -12.307 -9.843 -4.223 0.50 0.00 H new ATOM 1182 N LEU A 78 -9.977 -12.649 -5.340 0.50 0.00 N ATOM 1183 CA LEU A 78 -8.569 -12.290 -5.687 0.50 0.00 C ATOM 1184 C LEU A 78 -8.457 -10.788 -5.965 0.50 0.00 C ATOM 1185 O LEU A 78 -9.310 -10.199 -6.599 0.50 0.00 O ATOM 1186 CB LEU A 78 -8.254 -13.093 -6.951 0.50 0.00 C ATOM 1187 CG LEU A 78 -7.870 -14.523 -6.565 0.50 0.00 C ATOM 1188 CD1 LEU A 78 -7.949 -15.423 -7.799 0.50 0.00 C ATOM 1189 CD2 LEU A 78 -6.440 -14.535 -6.018 0.50 0.00 C ATOM 0 H LEU A 78 -10.416 -13.330 -5.959 0.50 0.00 H new ATOM 0 HA LEU A 78 -7.876 -12.515 -4.877 0.50 0.00 H new ATOM 0 HB2 LEU A 78 -9.120 -13.104 -7.613 0.50 0.00 H new ATOM 0 HB3 LEU A 78 -7.439 -12.622 -7.500 0.50 0.00 H new ATOM 0 HG LEU A 78 -8.556 -14.891 -5.802 0.50 0.00 H new ATOM 0 HD11 LEU A 78 -7.675 -16.442 -7.524 0.50 0.00 H new ATOM 0 HD12 LEU A 78 -8.966 -15.414 -8.192 0.50 0.00 H new ATOM 0 HD13 LEU A 78 -7.262 -15.056 -8.562 0.50 0.00 H new ATOM 0 HD21 LEU A 78 -6.164 -15.553 -5.742 0.50 0.00 H new ATOM 0 HD22 LEU A 78 -5.755 -14.168 -6.782 0.50 0.00 H new ATOM 0 HD23 LEU A 78 -6.381 -13.893 -5.139 0.50 0.00 H new ATOM 1201 N CYS A 79 -7.408 -10.165 -5.493 0.50 0.00 N ATOM 1202 CA CYS A 79 -7.239 -8.699 -5.728 0.50 0.00 C ATOM 1203 C CYS A 79 -7.173 -8.403 -7.229 0.50 0.00 C ATOM 1204 O CYS A 79 -6.461 -9.055 -7.968 0.50 0.00 O ATOM 1205 CB CYS A 79 -5.916 -8.326 -5.049 0.50 0.00 C ATOM 1206 SG CYS A 79 -4.565 -9.316 -5.744 0.50 0.00 S ATOM 0 H CYS A 79 -6.662 -10.607 -4.956 0.50 0.00 H new ATOM 0 HA CYS A 79 -8.075 -8.125 -5.327 0.50 0.00 H new ATOM 0 HB2 CYS A 79 -5.711 -7.265 -5.191 0.50 0.00 H new ATOM 0 HB3 CYS A 79 -5.988 -8.496 -3.975 0.50 0.00 H new ATOM 0 HG CYS A 79 -4.813 -9.572 -6.994 0.50 0.00 H new ATOM 1212 N GLU A 80 -7.906 -7.422 -7.683 0.50 0.00 N ATOM 1213 CA GLU A 80 -7.881 -7.079 -9.133 0.50 0.00 C ATOM 1214 C GLU A 80 -6.690 -6.166 -9.431 0.50 0.00 C ATOM 1215 O GLU A 80 -5.839 -5.952 -8.590 0.50 0.00 O ATOM 1216 CB GLU A 80 -9.201 -6.349 -9.392 0.50 0.00 C ATOM 1217 CG GLU A 80 -9.817 -6.853 -10.698 0.50 0.00 C ATOM 1218 CD GLU A 80 -10.379 -8.261 -10.489 0.50 0.00 C ATOM 1219 OE1 GLU A 80 -11.235 -8.415 -9.633 0.50 0.00 O ATOM 1220 OE2 GLU A 80 -9.944 -9.161 -11.188 0.50 0.00 O ATOM 0 H GLU A 80 -8.521 -6.843 -7.111 0.50 0.00 H new ATOM 0 HA GLU A 80 -7.776 -7.959 -9.768 0.50 0.00 H new ATOM 0 HB2 GLU A 80 -9.890 -6.517 -8.564 0.50 0.00 H new ATOM 0 HB3 GLU A 80 -9.029 -5.274 -9.450 0.50 0.00 H new ATOM 0 HG2 GLU A 80 -10.609 -6.178 -11.023 0.50 0.00 H new ATOM 0 HG3 GLU A 80 -9.065 -6.864 -11.487 0.50 0.00 H new ATOM 1227 N THR A 81 -6.623 -5.622 -10.618 0.50 0.00 N ATOM 1228 CA THR A 81 -5.484 -4.716 -10.966 0.50 0.00 C ATOM 1229 C THR A 81 -5.621 -4.204 -12.401 0.50 0.00 C ATOM 1230 O THR A 81 -5.153 -3.131 -12.725 0.50 0.00 O ATOM 1231 CB THR A 81 -4.210 -5.553 -10.812 0.50 0.00 C ATOM 1232 OG1 THR A 81 -3.138 -4.900 -11.476 0.50 0.00 O ATOM 1233 CG2 THR A 81 -4.412 -6.945 -11.417 0.50 0.00 C ATOM 0 H THR A 81 -7.306 -5.765 -11.362 0.50 0.00 H new ATOM 0 HA THR A 81 -5.463 -3.840 -10.317 0.50 0.00 H new ATOM 0 HB THR A 81 -3.980 -5.660 -9.752 0.50 0.00 H new ATOM 0 HG1 THR A 81 -2.320 -5.432 -11.379 0.50 0.00 H new ATOM 0 HG21 THR A 81 -3.499 -7.528 -11.300 0.50 0.00 H new ATOM 0 HG22 THR A 81 -5.232 -7.449 -10.905 0.50 0.00 H new ATOM 0 HG23 THR A 81 -4.649 -6.850 -12.477 0.50 0.00 H new ATOM 1241 N GLU A 82 -6.263 -4.953 -13.261 0.50 0.00 N ATOM 1242 CA GLU A 82 -6.434 -4.488 -14.669 0.50 0.00 C ATOM 1243 C GLU A 82 -7.298 -3.225 -14.683 0.50 0.00 C ATOM 1244 O GLU A 82 -8.470 -3.265 -15.001 0.50 0.00 O ATOM 1245 CB GLU A 82 -7.145 -5.636 -15.386 0.50 0.00 C ATOM 1246 CG GLU A 82 -7.313 -5.290 -16.867 0.50 0.00 C ATOM 1247 CD GLU A 82 -7.601 -6.566 -17.660 0.50 0.00 C ATOM 1248 OE1 GLU A 82 -8.288 -7.426 -17.133 0.50 0.00 O ATOM 1249 OE2 GLU A 82 -7.131 -6.661 -18.782 0.50 0.00 O ATOM 0 H GLU A 82 -6.674 -5.862 -13.050 0.50 0.00 H new ATOM 0 HA GLU A 82 -5.487 -4.243 -15.150 0.50 0.00 H new ATOM 0 HB2 GLU A 82 -6.570 -6.556 -15.280 0.50 0.00 H new ATOM 0 HB3 GLU A 82 -8.119 -5.815 -14.931 0.50 0.00 H new ATOM 0 HG2 GLU A 82 -8.128 -4.578 -16.995 0.50 0.00 H new ATOM 0 HG3 GLU A 82 -6.409 -4.811 -17.244 0.50 0.00 H new ATOM 1256 N GLY A 83 -6.727 -2.109 -14.320 0.50 0.00 N ATOM 1257 CA GLY A 83 -7.508 -0.841 -14.285 0.50 0.00 C ATOM 1258 C GLY A 83 -7.963 -0.563 -12.847 0.50 0.00 C ATOM 1259 O GLY A 83 -8.690 0.378 -12.591 0.50 0.00 O ATOM 0 H GLY A 83 -5.749 -2.021 -14.045 0.50 0.00 H new ATOM 0 HA2 GLY A 83 -6.898 -0.015 -14.651 0.50 0.00 H new ATOM 0 HA3 GLY A 83 -8.373 -0.915 -14.944 0.50 0.00 H new ATOM 1263 N ARG A 84 -7.546 -1.376 -11.904 0.50 0.00 N ATOM 1264 CA ARG A 84 -7.962 -1.156 -10.488 0.50 0.00 C ATOM 1265 C ARG A 84 -6.803 -0.573 -9.669 0.50 0.00 C ATOM 1266 O ARG A 84 -6.766 0.610 -9.394 0.50 0.00 O ATOM 1267 CB ARG A 84 -8.345 -2.543 -9.971 0.50 0.00 C ATOM 1268 CG ARG A 84 -9.776 -2.874 -10.404 0.50 0.00 C ATOM 1269 CD ARG A 84 -10.742 -2.566 -9.257 0.50 0.00 C ATOM 1270 NE ARG A 84 -12.008 -2.153 -9.923 0.50 0.00 N ATOM 1271 CZ ARG A 84 -12.406 -0.911 -9.857 0.50 0.00 C ATOM 1272 NH1 ARG A 84 -12.413 -0.169 -10.930 0.50 0.00 N ATOM 1273 NH2 ARG A 84 -12.797 -0.412 -8.716 0.50 0.00 N ATOM 0 H ARG A 84 -6.937 -2.180 -12.057 0.50 0.00 H new ATOM 0 HA ARG A 84 -8.786 -0.447 -10.407 0.50 0.00 H new ATOM 0 HB2 ARG A 84 -7.654 -3.291 -10.360 0.50 0.00 H new ATOM 0 HB3 ARG A 84 -8.267 -2.572 -8.884 0.50 0.00 H new ATOM 0 HG2 ARG A 84 -10.044 -2.292 -11.285 0.50 0.00 H new ATOM 0 HG3 ARG A 84 -9.849 -3.925 -10.682 0.50 0.00 H new ATOM 0 HD2 ARG A 84 -10.895 -3.440 -8.624 0.50 0.00 H new ATOM 0 HD3 ARG A 84 -10.355 -1.773 -8.617 0.50 0.00 H new ATOM 0 HE ARG A 84 -12.565 -2.840 -10.431 0.50 0.00 H new ATOM 0 HH11 ARG A 84 -12.107 -0.559 -11.822 0.50 0.00 H new ATOM 0 HH12 ARG A 84 -12.724 0.801 -10.877 0.50 0.00 H new ATOM 0 HH21 ARG A 84 -12.791 -0.992 -7.877 0.50 0.00 H new ATOM 0 HH22 ARG A 84 -13.108 0.558 -8.663 0.50 0.00 H new ATOM 1287 N VAL A 85 -5.862 -1.392 -9.268 0.50 0.00 N ATOM 1288 CA VAL A 85 -4.718 -0.872 -8.461 0.50 0.00 C ATOM 1289 C VAL A 85 -3.622 -0.312 -9.374 0.50 0.00 C ATOM 1290 O VAL A 85 -3.245 -0.921 -10.356 0.50 0.00 O ATOM 1291 CB VAL A 85 -4.207 -2.079 -7.666 0.50 0.00 C ATOM 1292 CG1 VAL A 85 -3.739 -3.179 -8.627 0.50 0.00 C ATOM 1293 CG2 VAL A 85 -3.037 -1.645 -6.778 0.50 0.00 C ATOM 0 H VAL A 85 -5.837 -2.393 -9.464 0.50 0.00 H new ATOM 0 HA VAL A 85 -5.018 -0.054 -7.805 0.50 0.00 H new ATOM 0 HB VAL A 85 -5.015 -2.467 -7.045 0.50 0.00 H new ATOM 0 HG11 VAL A 85 -3.377 -4.033 -8.054 0.50 0.00 H new ATOM 0 HG12 VAL A 85 -4.572 -3.491 -9.257 0.50 0.00 H new ATOM 0 HG13 VAL A 85 -2.934 -2.796 -9.254 0.50 0.00 H new ATOM 0 HG21 VAL A 85 -2.672 -2.502 -6.212 0.50 0.00 H new ATOM 0 HG22 VAL A 85 -2.233 -1.253 -7.401 0.50 0.00 H new ATOM 0 HG23 VAL A 85 -3.372 -0.870 -6.088 0.50 0.00 H new ATOM 1303 N ARG A 86 -3.109 0.846 -9.051 0.50 0.00 N ATOM 1304 CA ARG A 86 -2.035 1.452 -9.890 0.50 0.00 C ATOM 1305 C ARG A 86 -0.908 1.978 -8.997 0.50 0.00 C ATOM 1306 O ARG A 86 -0.966 3.084 -8.497 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.713 2.604 -10.633 0.50 0.00 C ATOM 1308 CG ARG A 86 -2.116 2.729 -12.037 0.50 0.00 C ATOM 1309 CD ARG A 86 -0.982 3.756 -12.020 0.50 0.00 C ATOM 1310 NE ARG A 86 -1.633 5.054 -12.354 0.50 0.00 N ATOM 1311 CZ ARG A 86 -2.016 5.295 -13.577 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -3.253 5.074 -13.930 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -1.161 5.761 -14.448 0.50 0.00 N ATOM 0 H ARG A 86 -3.388 1.399 -8.241 0.50 0.00 H new ATOM 0 HA ARG A 86 -1.590 0.733 -10.577 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.787 2.427 -10.697 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -2.576 3.536 -10.084 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -1.740 1.762 -12.371 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -2.886 3.034 -12.745 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -0.500 3.796 -11.043 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -0.210 3.503 -12.746 0.50 0.00 H new ATOM 0 HE ARG A 86 -1.779 5.754 -11.626 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -3.921 4.713 -13.249 0.50 0.00 H new ATOM 0 HH12 ARG A 86 -3.552 5.263 -14.887 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -0.195 5.936 -14.171 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -1.459 5.950 -15.405 0.50 0.00 H new ATOM 1327 N VAL A 87 0.114 1.191 -8.789 0.50 0.00 N ATOM 1328 CA VAL A 87 1.242 1.642 -7.923 0.50 0.00 C ATOM 1329 C VAL A 87 2.526 1.773 -8.748 0.50 0.00 C ATOM 1330 O VAL A 87 3.036 0.805 -9.277 0.50 0.00 O ATOM 1331 CB VAL A 87 1.389 0.546 -6.865 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.522 0.909 -5.904 0.50 0.00 C ATOM 1333 CG2 VAL A 87 0.081 0.415 -6.081 0.50 0.00 C ATOM 0 H VAL A 87 0.216 0.255 -9.182 0.50 0.00 H new ATOM 0 HA VAL A 87 1.056 2.618 -7.475 0.50 0.00 H new ATOM 0 HB VAL A 87 1.618 -0.400 -7.355 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.625 0.127 -5.151 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.455 1.003 -6.460 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.295 1.856 -5.415 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.185 -0.366 -5.327 0.50 0.00 H new ATOM 0 HG22 VAL A 87 -0.147 1.363 -5.593 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.728 0.155 -6.764 0.50 0.00 H new ATOM 1343 N GLU A 88 3.053 2.965 -8.857 0.50 0.00 N ATOM 1344 CA GLU A 88 4.305 3.162 -9.644 0.50 0.00 C ATOM 1345 C GLU A 88 5.164 4.255 -9.004 0.50 0.00 C ATOM 1346 O GLU A 88 4.660 5.258 -8.534 0.50 0.00 O ATOM 1347 CB GLU A 88 3.836 3.592 -11.034 0.50 0.00 C ATOM 1348 CG GLU A 88 4.940 3.310 -12.055 0.50 0.00 C ATOM 1349 CD GLU A 88 4.730 4.186 -13.291 0.50 0.00 C ATOM 1350 OE1 GLU A 88 4.760 5.397 -13.146 0.50 0.00 O ATOM 1351 OE2 GLU A 88 4.544 3.632 -14.362 0.50 0.00 O ATOM 0 H GLU A 88 2.670 3.811 -8.434 0.50 0.00 H new ATOM 0 HA GLU A 88 4.916 2.260 -9.682 0.50 0.00 H new ATOM 0 HB2 GLU A 88 2.928 3.053 -11.306 0.50 0.00 H new ATOM 0 HB3 GLU A 88 3.589 4.654 -11.034 0.50 0.00 H new ATOM 0 HG2 GLU A 88 5.917 3.512 -11.615 0.50 0.00 H new ATOM 0 HG3 GLU A 88 4.929 2.257 -12.337 0.50 0.00 H new ATOM 1358 N THR A 89 6.457 4.070 -8.981 0.50 0.00 N ATOM 1359 CA THR A 89 7.351 5.097 -8.371 0.50 0.00 C ATOM 1360 C THR A 89 7.984 5.965 -9.463 0.50 0.00 C ATOM 1361 O THR A 89 8.106 5.557 -10.601 0.50 0.00 O ATOM 1362 CB THR A 89 8.423 4.302 -7.618 0.50 0.00 C ATOM 1363 OG1 THR A 89 9.203 5.194 -6.835 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.328 3.573 -8.614 0.50 0.00 C ATOM 0 H THR A 89 6.933 3.251 -9.359 0.50 0.00 H new ATOM 0 HA THR A 89 6.810 5.772 -7.707 0.50 0.00 H new ATOM 0 HB THR A 89 7.941 3.569 -6.972 0.50 0.00 H new ATOM 0 HG1 THR A 89 10.113 4.840 -6.745 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.087 3.010 -8.071 0.50 0.00 H new ATOM 0 HG22 THR A 89 8.730 2.889 -9.216 0.50 0.00 H new ATOM 0 HG23 THR A 89 9.812 4.300 -9.266 0.50 0.00 H new ATOM 1372 N THR A 90 8.385 7.158 -9.122 0.50 0.00 N ATOM 1373 CA THR A 90 9.009 8.057 -10.137 0.50 0.00 C ATOM 1374 C THR A 90 10.529 8.086 -9.961 0.50 0.00 C ATOM 1375 O THR A 90 11.094 7.319 -9.207 0.50 0.00 O ATOM 1376 CB THR A 90 8.414 9.438 -9.868 0.50 0.00 C ATOM 1377 OG1 THR A 90 8.609 9.775 -8.503 0.50 0.00 O ATOM 1378 CG2 THR A 90 6.919 9.423 -10.184 0.50 0.00 C ATOM 0 H THR A 90 8.308 7.551 -8.184 0.50 0.00 H new ATOM 0 HA THR A 90 8.814 7.721 -11.155 0.50 0.00 H new ATOM 0 HB THR A 90 8.907 10.177 -10.500 0.50 0.00 H new ATOM 0 HG1 THR A 90 7.884 9.394 -7.965 0.50 0.00 H new ATOM 0 HG21 THR A 90 6.496 10.409 -9.991 0.50 0.00 H new ATOM 0 HG22 THR A 90 6.771 9.163 -11.232 0.50 0.00 H new ATOM 0 HG23 THR A 90 6.421 8.686 -9.554 0.50 0.00 H new ATOM 1386 N LYS A 91 11.191 8.969 -10.659 0.50 0.00 N ATOM 1387 CA LYS A 91 12.678 9.056 -10.554 0.50 0.00 C ATOM 1388 C LYS A 91 13.117 9.273 -9.101 0.50 0.00 C ATOM 1389 O LYS A 91 14.181 8.846 -8.700 0.50 0.00 O ATOM 1390 CB LYS A 91 13.066 10.263 -11.411 0.50 0.00 C ATOM 1391 CG LYS A 91 13.475 9.790 -12.808 0.50 0.00 C ATOM 1392 CD LYS A 91 14.984 9.534 -12.843 0.50 0.00 C ATOM 1393 CE LYS A 91 15.249 8.039 -13.029 0.50 0.00 C ATOM 1394 NZ LYS A 91 15.252 7.829 -14.503 0.50 0.00 N ATOM 0 H LYS A 91 10.765 9.637 -11.301 0.50 0.00 H new ATOM 0 HA LYS A 91 13.159 8.137 -10.889 0.50 0.00 H new ATOM 0 HB2 LYS A 91 12.228 10.956 -11.482 0.50 0.00 H new ATOM 0 HB3 LYS A 91 13.889 10.804 -10.944 0.50 0.00 H new ATOM 0 HG2 LYS A 91 12.935 8.879 -13.067 0.50 0.00 H new ATOM 0 HG3 LYS A 91 13.206 10.541 -13.550 0.50 0.00 H new ATOM 0 HD2 LYS A 91 15.440 10.098 -13.657 0.50 0.00 H new ATOM 0 HD3 LYS A 91 15.443 9.882 -11.918 0.50 0.00 H new ATOM 0 HE2 LYS A 91 16.202 7.749 -12.587 0.50 0.00 H new ATOM 0 HE3 LYS A 91 14.478 7.438 -12.546 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 15.428 6.825 -14.710 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 14.330 8.107 -14.895 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 16.000 8.408 -14.935 0.50 0.00 H new ATOM 1408 N ASP A 92 12.316 9.937 -8.309 0.50 0.00 N ATOM 1409 CA ASP A 92 12.713 10.174 -6.888 0.50 0.00 C ATOM 1410 C ASP A 92 11.479 10.371 -6.001 0.50 0.00 C ATOM 1411 O ASP A 92 11.434 11.270 -5.184 0.50 0.00 O ATOM 1412 CB ASP A 92 13.557 11.453 -6.923 0.50 0.00 C ATOM 1413 CG ASP A 92 14.902 11.198 -6.239 0.50 0.00 C ATOM 1414 OD1 ASP A 92 14.915 10.492 -5.245 0.50 0.00 O ATOM 1415 OD2 ASP A 92 15.896 11.716 -6.722 0.50 0.00 O ATOM 0 H ASP A 92 11.412 10.323 -8.581 0.50 0.00 H new ATOM 0 HA ASP A 92 13.260 9.328 -6.473 0.50 0.00 H new ATOM 0 HB2 ASP A 92 13.716 11.768 -7.954 0.50 0.00 H new ATOM 0 HB3 ASP A 92 13.029 12.263 -6.420 0.50 0.00 H new ATOM 1420 N ARG A 93 10.483 9.535 -6.146 0.50 0.00 N ATOM 1421 CA ARG A 93 9.258 9.677 -5.298 0.50 0.00 C ATOM 1422 C ARG A 93 8.291 8.521 -5.561 0.50 0.00 C ATOM 1423 O ARG A 93 7.694 8.426 -6.615 0.50 0.00 O ATOM 1424 CB ARG A 93 8.625 11.008 -5.716 0.50 0.00 C ATOM 1425 CG ARG A 93 7.443 11.321 -4.796 0.50 0.00 C ATOM 1426 CD ARG A 93 7.347 12.834 -4.585 0.50 0.00 C ATOM 1427 NE ARG A 93 7.048 13.392 -5.934 0.50 0.00 N ATOM 1428 CZ ARG A 93 5.892 13.946 -6.170 0.50 0.00 C ATOM 1429 NH1 ARG A 93 5.451 14.892 -5.386 0.50 0.00 N ATOM 1430 NH2 ARG A 93 5.176 13.556 -7.189 0.50 0.00 N ATOM 0 H ARG A 93 10.463 8.763 -6.812 0.50 0.00 H new ATOM 0 HA ARG A 93 9.496 9.658 -4.235 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.364 11.807 -5.661 0.50 0.00 H new ATOM 0 HB3 ARG A 93 8.289 10.954 -6.752 0.50 0.00 H new ATOM 0 HG2 ARG A 93 6.518 10.945 -5.234 0.50 0.00 H new ATOM 0 HG3 ARG A 93 7.571 10.817 -3.838 0.50 0.00 H new ATOM 0 HD2 ARG A 93 6.562 13.084 -3.871 0.50 0.00 H new ATOM 0 HD3 ARG A 93 8.279 13.237 -4.188 0.50 0.00 H new ATOM 0 HE ARG A 93 7.749 13.340 -6.673 0.50 0.00 H new ATOM 0 HH11 ARG A 93 6.011 15.197 -4.590 0.50 0.00 H new ATOM 0 HH12 ARG A 93 4.547 15.326 -5.570 0.50 0.00 H new ATOM 0 HH21 ARG A 93 5.521 12.817 -7.802 0.50 0.00 H new ATOM 0 HH22 ARG A 93 4.272 13.990 -7.373 0.50 0.00 H new ATOM 1444 N SER A 94 8.127 7.646 -4.605 0.50 0.00 N ATOM 1445 CA SER A 94 7.192 6.498 -4.790 0.50 0.00 C ATOM 1446 C SER A 94 5.747 6.974 -4.632 0.50 0.00 C ATOM 1447 O SER A 94 5.384 7.554 -3.627 0.50 0.00 O ATOM 1448 CB SER A 94 7.555 5.509 -3.687 0.50 0.00 C ATOM 1449 OG SER A 94 7.187 6.055 -2.428 0.50 0.00 O ATOM 0 H SER A 94 8.601 7.677 -3.702 0.50 0.00 H new ATOM 0 HA SER A 94 7.275 6.048 -5.779 0.50 0.00 H new ATOM 0 HB2 SER A 94 7.042 4.561 -3.849 0.50 0.00 H new ATOM 0 HB3 SER A 94 8.625 5.300 -3.707 0.50 0.00 H new ATOM 0 HG SER A 94 6.736 5.369 -1.893 0.50 0.00 H new ATOM 1455 N ILE A 95 4.920 6.742 -5.617 0.50 0.00 N ATOM 1456 CA ILE A 95 3.503 7.194 -5.515 0.50 0.00 C ATOM 1457 C ILE A 95 2.558 5.989 -5.449 0.50 0.00 C ATOM 1458 O ILE A 95 2.588 5.114 -6.292 0.50 0.00 O ATOM 1459 CB ILE A 95 3.258 8.032 -6.787 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.956 9.476 -6.389 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.068 7.482 -7.585 0.50 0.00 C ATOM 1462 CD1 ILE A 95 4.264 10.262 -6.282 0.50 0.00 C ATOM 0 H ILE A 95 5.163 6.262 -6.483 0.50 0.00 H new ATOM 0 HA ILE A 95 3.317 7.775 -4.612 0.50 0.00 H new ATOM 0 HB ILE A 95 4.153 7.984 -7.408 0.50 0.00 H new ATOM 0 HG12 ILE A 95 2.301 9.938 -7.128 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.427 9.498 -5.436 0.50 0.00 H new ATOM 0 HG21 ILE A 95 1.916 8.090 -8.477 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.271 6.452 -7.878 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.170 7.513 -6.967 0.50 0.00 H new ATOM 0 HD11 ILE A 95 4.047 11.292 -5.998 0.50 0.00 H new ATOM 0 HD12 ILE A 95 4.903 9.804 -5.527 0.50 0.00 H new ATOM 0 HD13 ILE A 95 4.775 10.251 -7.245 0.50 0.00 H new ATOM 1474 N PHE A 96 1.704 5.960 -4.465 0.50 0.00 N ATOM 1475 CA PHE A 96 0.734 4.838 -4.350 0.50 0.00 C ATOM 1476 C PHE A 96 -0.666 5.368 -4.664 0.50 0.00 C ATOM 1477 O PHE A 96 -1.328 5.941 -3.823 0.50 0.00 O ATOM 1478 CB PHE A 96 0.831 4.366 -2.898 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.013 3.130 -2.713 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -1.408 3.235 -2.666 0.50 0.00 C ATOM 1481 CD2 PHE A 96 0.599 1.880 -2.588 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -2.190 2.087 -2.498 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -0.183 0.730 -2.418 0.50 0.00 C ATOM 1484 CZ PHE A 96 -1.579 0.835 -2.374 0.50 0.00 C ATOM 0 H PHE A 96 1.636 6.668 -3.733 0.50 0.00 H new ATOM 0 HA PHE A 96 0.941 4.019 -5.039 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.869 4.152 -2.643 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.493 5.154 -2.225 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -1.880 4.202 -2.759 0.50 0.00 H new ATOM 0 HD2 PHE A 96 1.676 1.800 -2.622 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -3.266 2.168 -2.464 0.50 0.00 H new ATOM 0 HE2 PHE A 96 0.290 -0.236 -2.321 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.183 -0.051 -2.244 0.50 0.00 H new ATOM 1494 N THR A 97 -1.114 5.204 -5.876 0.50 0.00 N ATOM 1495 CA THR A 97 -2.464 5.722 -6.242 0.50 0.00 C ATOM 1496 C THR A 97 -3.359 4.591 -6.755 0.50 0.00 C ATOM 1497 O THR A 97 -3.244 4.151 -7.882 0.50 0.00 O ATOM 1498 CB THR A 97 -2.222 6.777 -7.334 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.431 7.001 -8.046 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.140 6.302 -8.309 0.50 0.00 C ATOM 0 H THR A 97 -0.608 4.736 -6.628 0.50 0.00 H new ATOM 0 HA THR A 97 -2.978 6.152 -5.382 0.50 0.00 H new ATOM 0 HB THR A 97 -1.889 7.702 -6.863 0.50 0.00 H new ATOM 0 HG1 THR A 97 -3.281 7.674 -8.742 0.50 0.00 H new ATOM 0 HG21 THR A 97 -0.982 7.061 -9.075 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.210 6.135 -7.767 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.458 5.372 -8.780 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.257 4.130 -5.927 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.180 3.035 -6.343 0.50 0.00 C ATOM 1510 C VAL A 98 -6.624 3.543 -6.295 0.50 0.00 C ATOM 1511 O VAL A 98 -6.969 4.372 -5.477 0.50 0.00 O ATOM 1512 CB VAL A 98 -4.958 1.913 -5.322 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.239 2.431 -3.910 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -5.901 0.744 -5.629 0.50 0.00 C ATOM 0 H VAL A 98 -4.392 4.467 -4.974 0.50 0.00 H new ATOM 0 HA VAL A 98 -4.994 2.687 -7.359 0.50 0.00 H new ATOM 0 HB VAL A 98 -3.923 1.576 -5.384 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.079 1.629 -3.190 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.567 3.259 -3.686 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.271 2.775 -3.847 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -5.742 -0.053 -4.902 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -6.935 1.086 -5.572 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -5.698 0.367 -6.631 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.466 3.064 -7.169 0.50 0.00 N ATOM 1525 CA GLU A 99 -8.881 3.534 -7.172 0.50 0.00 C ATOM 1526 C GLU A 99 -9.807 2.470 -6.577 0.50 0.00 C ATOM 1527 O GLU A 99 -10.630 1.898 -7.265 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.215 3.771 -8.646 0.50 0.00 C ATOM 1529 CG GLU A 99 -10.499 4.600 -8.756 0.50 0.00 C ATOM 1530 CD GLU A 99 -11.672 3.687 -9.122 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -11.814 3.381 -10.293 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -12.407 3.313 -8.223 0.50 0.00 O ATOM 0 H GLU A 99 -7.237 2.369 -7.880 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.013 4.433 -6.570 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -8.392 4.290 -9.137 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -9.341 2.817 -9.159 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -10.700 5.105 -7.811 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -10.379 5.375 -9.513 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.686 2.201 -5.303 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.567 1.181 -4.675 0.50 0.00 C ATOM 1541 C GLY A 100 -9.719 0.040 -4.121 0.50 0.00 C ATOM 1542 O GLY A 100 -10.034 -1.121 -4.304 0.50 0.00 O ATOM 0 H GLY A 100 -9.016 2.644 -4.674 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.151 1.635 -3.874 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -11.276 0.797 -5.409 0.50 0.00 H new ATOM 1546 N ALA A 101 -8.650 0.354 -3.435 0.50 0.00 N ATOM 1547 CA ALA A 101 -7.794 -0.726 -2.862 0.50 0.00 C ATOM 1548 C ALA A 101 -8.661 -1.669 -2.020 0.50 0.00 C ATOM 1549 O ALA A 101 -9.099 -2.704 -2.485 0.50 0.00 O ATOM 1550 CB ALA A 101 -6.760 -0.006 -1.990 0.50 0.00 C ATOM 0 H ALA A 101 -8.335 1.306 -3.248 0.50 0.00 H new ATOM 0 HA ALA A 101 -7.309 -1.330 -3.629 0.50 0.00 H new ATOM 0 HB1 ALA A 101 -6.094 -0.739 -1.535 0.50 0.00 H new ATOM 0 HB2 ALA A 101 -6.178 0.679 -2.606 0.50 0.00 H new ATOM 0 HB3 ALA A 101 -7.271 0.555 -1.208 0.50 0.00 H new ATOM 1556 N GLU A 102 -8.935 -1.306 -0.796 0.50 0.00 N ATOM 1557 CA GLU A 102 -9.800 -2.165 0.066 0.50 0.00 C ATOM 1558 C GLU A 102 -10.816 -1.292 0.803 0.50 0.00 C ATOM 1559 O GLU A 102 -10.496 -0.217 1.267 0.50 0.00 O ATOM 1560 CB GLU A 102 -8.852 -2.848 1.050 0.50 0.00 C ATOM 1561 CG GLU A 102 -9.025 -4.368 0.953 0.50 0.00 C ATOM 1562 CD GLU A 102 -10.485 -4.745 1.221 0.50 0.00 C ATOM 1563 OE1 GLU A 102 -11.169 -3.973 1.871 0.50 0.00 O ATOM 1564 OE2 GLU A 102 -10.894 -5.802 0.768 0.50 0.00 O ATOM 0 H GLU A 102 -8.597 -0.451 -0.354 0.50 0.00 H new ATOM 0 HA GLU A 102 -10.362 -2.899 -0.511 0.50 0.00 H new ATOM 0 HB2 GLU A 102 -7.821 -2.574 0.828 0.50 0.00 H new ATOM 0 HB3 GLU A 102 -9.060 -2.511 2.066 0.50 0.00 H new ATOM 0 HG2 GLU A 102 -8.727 -4.714 -0.037 0.50 0.00 H new ATOM 0 HG3 GLU A 102 -8.374 -4.863 1.674 0.50 0.00 H new ATOM 1571 N LYS A 103 -12.040 -1.734 0.904 0.50 0.00 N ATOM 1572 CA LYS A 103 -13.067 -0.907 1.607 0.50 0.00 C ATOM 1573 C LYS A 103 -13.244 -1.349 3.065 0.50 0.00 C ATOM 1574 O LYS A 103 -13.004 -0.597 3.987 0.50 0.00 O ATOM 1575 CB LYS A 103 -14.359 -1.140 0.824 0.50 0.00 C ATOM 1576 CG LYS A 103 -14.203 -0.601 -0.601 0.50 0.00 C ATOM 1577 CD LYS A 103 -14.009 -1.768 -1.573 0.50 0.00 C ATOM 1578 CE LYS A 103 -13.565 -1.229 -2.934 0.50 0.00 C ATOM 1579 NZ LYS A 103 -14.830 -0.907 -3.650 0.50 0.00 N ATOM 0 H LYS A 103 -12.373 -2.624 0.534 0.50 0.00 H new ATOM 0 HA LYS A 103 -12.778 0.143 1.641 0.50 0.00 H new ATOM 0 HB2 LYS A 103 -14.592 -2.204 0.797 0.50 0.00 H new ATOM 0 HB3 LYS A 103 -15.192 -0.644 1.322 0.50 0.00 H new ATOM 0 HG2 LYS A 103 -15.084 -0.024 -0.881 0.50 0.00 H new ATOM 0 HG3 LYS A 103 -13.350 0.075 -0.654 0.50 0.00 H new ATOM 0 HD2 LYS A 103 -13.263 -2.460 -1.183 0.50 0.00 H new ATOM 0 HD3 LYS A 103 -14.939 -2.327 -1.677 0.50 0.00 H new ATOM 0 HE2 LYS A 103 -12.938 -0.345 -2.823 0.50 0.00 H new ATOM 0 HE3 LYS A 103 -12.979 -1.969 -3.480 0.50 0.00 H new ATOM 0 HZ1 LYS A 103 -14.634 -0.225 -4.411 0.50 0.00 H new ATOM 0 HZ2 LYS A 103 -15.229 -1.776 -4.058 0.50 0.00 H new ATOM 0 HZ3 LYS A 103 -15.512 -0.494 -2.982 0.50 0.00 H new ATOM 1593 N GLU A 104 -13.687 -2.557 3.276 0.50 0.00 N ATOM 1594 CA GLU A 104 -13.912 -3.047 4.670 0.50 0.00 C ATOM 1595 C GLU A 104 -12.725 -3.869 5.188 0.50 0.00 C ATOM 1596 O GLU A 104 -12.738 -4.334 6.311 0.50 0.00 O ATOM 1597 CB GLU A 104 -15.163 -3.921 4.577 0.50 0.00 C ATOM 1598 CG GLU A 104 -16.365 -3.053 4.197 0.50 0.00 C ATOM 1599 CD GLU A 104 -17.619 -3.580 4.898 0.50 0.00 C ATOM 1600 OE1 GLU A 104 -17.814 -4.783 4.896 0.50 0.00 O ATOM 1601 OE2 GLU A 104 -18.363 -2.769 5.425 0.50 0.00 O ATOM 0 H GLU A 104 -13.905 -3.231 2.542 0.50 0.00 H new ATOM 0 HA GLU A 104 -14.025 -2.217 5.368 0.50 0.00 H new ATOM 0 HB2 GLU A 104 -15.017 -4.705 3.834 0.50 0.00 H new ATOM 0 HB3 GLU A 104 -15.345 -4.416 5.531 0.50 0.00 H new ATOM 0 HG2 GLU A 104 -16.184 -2.017 4.484 0.50 0.00 H new ATOM 0 HG3 GLU A 104 -16.508 -3.064 3.116 0.50 0.00 H new ATOM 1608 N ASP A 105 -11.716 -4.082 4.385 0.50 0.00 N ATOM 1609 CA ASP A 105 -10.564 -4.910 4.862 0.50 0.00 C ATOM 1610 C ASP A 105 -9.251 -4.120 4.848 0.50 0.00 C ATOM 1611 O ASP A 105 -8.252 -4.585 5.357 0.50 0.00 O ATOM 1612 CB ASP A 105 -10.491 -6.083 3.880 0.50 0.00 C ATOM 1613 CG ASP A 105 -10.344 -7.392 4.657 0.50 0.00 C ATOM 1614 OD1 ASP A 105 -9.350 -7.540 5.350 0.50 0.00 O ATOM 1615 OD2 ASP A 105 -11.228 -8.226 4.545 0.50 0.00 O ATOM 0 H ASP A 105 -11.637 -3.725 3.433 0.50 0.00 H new ATOM 0 HA ASP A 105 -10.707 -5.232 5.893 0.50 0.00 H new ATOM 0 HB2 ASP A 105 -11.390 -6.112 3.265 0.50 0.00 H new ATOM 0 HB3 ASP A 105 -9.646 -5.953 3.204 0.50 0.00 H new ATOM 1620 N GLU A 106 -9.245 -2.937 4.278 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.995 -2.109 4.228 0.50 0.00 C ATOM 1622 C GLU A 106 -6.732 -2.985 4.337 0.50 0.00 C ATOM 1623 O GLU A 106 -6.518 -3.870 3.532 0.50 0.00 O ATOM 1624 CB GLU A 106 -8.122 -1.138 5.407 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.392 -1.902 6.706 0.50 0.00 C ATOM 1626 CD GLU A 106 -9.901 -2.074 6.895 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -10.615 -1.098 6.728 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -10.318 -3.179 7.202 0.50 0.00 O ATOM 0 H GLU A 106 -10.060 -2.506 3.841 0.50 0.00 H new ATOM 0 HA GLU A 106 -7.890 -1.581 3.280 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -7.207 -0.555 5.505 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.931 -0.432 5.219 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -7.906 -2.877 6.674 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -7.968 -1.362 7.553 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.899 -2.754 5.318 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.665 -3.584 5.461 0.50 0.00 C ATOM 1637 C GLY A 107 -3.433 -2.678 5.467 0.50 0.00 C ATOM 1638 O GLY A 107 -3.348 -1.725 4.719 0.50 0.00 O ATOM 0 H GLY A 107 -6.019 -2.029 6.025 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -4.708 -4.161 6.384 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.599 -4.299 4.641 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.474 -2.969 6.305 0.50 0.00 N ATOM 1643 CA VAL A 108 -1.246 -2.123 6.359 0.50 0.00 C ATOM 1644 C VAL A 108 -0.247 -2.573 5.290 0.50 0.00 C ATOM 1645 O VAL A 108 -0.312 -3.678 4.793 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.678 -2.338 7.762 0.50 0.00 C ATOM 1647 CG1 VAL A 108 0.653 -1.594 7.902 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.668 -1.796 8.794 0.50 0.00 C ATOM 0 H VAL A 108 -2.488 -3.756 6.954 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.457 -1.071 6.167 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.516 -3.403 7.926 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.054 -1.750 8.904 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.361 -1.973 7.165 0.50 0.00 H new ATOM 0 HG13 VAL A 108 0.493 -0.528 7.737 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -1.268 -1.947 9.797 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.826 -0.731 8.623 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.617 -2.323 8.699 0.50 0.00 H new ATOM 1658 N TYR A 109 0.674 -1.719 4.934 0.50 0.00 N ATOM 1659 CA TYR A 109 1.680 -2.092 3.893 0.50 0.00 C ATOM 1660 C TYR A 109 3.078 -1.633 4.314 0.50 0.00 C ATOM 1661 O TYR A 109 3.241 -0.585 4.899 0.50 0.00 O ATOM 1662 CB TYR A 109 1.243 -1.347 2.630 0.50 0.00 C ATOM 1663 CG TYR A 109 -0.089 -1.876 2.156 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -0.137 -2.978 1.294 0.50 0.00 C ATOM 1665 CD2 TYR A 109 -1.276 -1.264 2.574 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -1.371 -3.468 0.851 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -2.511 -1.754 2.131 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.558 -2.856 1.270 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.776 -3.339 0.833 0.50 0.00 O ATOM 0 H TYR A 109 0.775 -0.779 5.317 0.50 0.00 H new ATOM 0 HA TYR A 109 1.727 -3.170 3.741 0.50 0.00 H new ATOM 0 HB2 TYR A 109 1.168 -0.279 2.835 0.50 0.00 H new ATOM 0 HB3 TYR A 109 1.992 -1.469 1.848 0.50 0.00 H new ATOM 0 HD1 TYR A 109 0.779 -3.450 0.971 0.50 0.00 H new ATOM 0 HD2 TYR A 109 -1.240 -0.413 3.239 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -1.407 -4.318 0.186 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -3.427 -1.281 2.454 0.50 0.00 H new ATOM 0 HH TYR A 109 -4.499 -2.801 1.219 0.50 0.00 H new ATOM 1679 N THR A 110 4.089 -2.400 4.007 0.50 0.00 N ATOM 1680 CA THR A 110 5.476 -1.990 4.377 0.50 0.00 C ATOM 1681 C THR A 110 6.263 -1.677 3.106 0.50 0.00 C ATOM 1682 O THR A 110 6.607 -2.560 2.347 0.50 0.00 O ATOM 1683 CB THR A 110 6.081 -3.190 5.107 0.50 0.00 C ATOM 1684 OG1 THR A 110 5.185 -3.631 6.116 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.412 -2.781 5.744 0.50 0.00 C ATOM 0 H THR A 110 4.016 -3.291 3.517 0.50 0.00 H new ATOM 0 HA THR A 110 5.495 -1.099 5.005 0.50 0.00 H new ATOM 0 HB THR A 110 6.253 -4.000 4.398 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.572 -4.401 6.583 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.844 -3.636 6.265 0.50 0.00 H new ATOM 0 HG22 THR A 110 8.099 -2.444 4.967 0.50 0.00 H new ATOM 0 HG23 THR A 110 7.242 -1.972 6.454 0.50 0.00 H new ATOM 1693 N VAL A 111 6.538 -0.426 2.860 0.50 0.00 N ATOM 1694 CA VAL A 111 7.290 -0.061 1.627 0.50 0.00 C ATOM 1695 C VAL A 111 8.801 -0.170 1.868 0.50 0.00 C ATOM 1696 O VAL A 111 9.320 0.322 2.850 0.50 0.00 O ATOM 1697 CB VAL A 111 6.855 1.377 1.317 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.551 2.369 2.246 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.208 1.711 -0.128 0.50 0.00 C ATOM 0 H VAL A 111 6.275 0.358 3.458 0.50 0.00 H new ATOM 0 HA VAL A 111 7.080 -0.726 0.789 0.50 0.00 H new ATOM 0 HB VAL A 111 5.778 1.453 1.469 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.226 3.381 2.006 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.294 2.141 3.280 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.631 2.294 2.115 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.900 2.732 -0.351 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.285 1.617 -0.271 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.692 1.022 -0.797 0.50 0.00 H new ATOM 1709 N THR A 112 9.504 -0.829 0.983 0.50 0.00 N ATOM 1710 CA THR A 112 10.978 -0.992 1.164 0.50 0.00 C ATOM 1711 C THR A 112 11.746 -0.285 0.039 0.50 0.00 C ATOM 1712 O THR A 112 11.551 -0.562 -1.127 0.50 0.00 O ATOM 1713 CB THR A 112 11.202 -2.509 1.109 0.50 0.00 C ATOM 1714 OG1 THR A 112 10.770 -3.091 2.331 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.687 -2.817 0.895 0.50 0.00 C ATOM 0 H THR A 112 9.121 -1.261 0.142 0.50 0.00 H new ATOM 0 HA THR A 112 11.334 -0.553 2.096 0.50 0.00 H new ATOM 0 HB THR A 112 10.631 -2.924 0.278 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.896 -4.062 2.293 0.50 0.00 H new ATOM 0 HG21 THR A 112 12.833 -3.897 0.858 0.50 0.00 H new ATOM 0 HG22 THR A 112 13.019 -2.373 -0.044 0.50 0.00 H new ATOM 0 HG23 THR A 112 13.267 -2.401 1.718 0.50 0.00 H new ATOM 1723 N VAL A 113 12.631 0.613 0.387 0.50 0.00 N ATOM 1724 CA VAL A 113 13.427 1.326 -0.657 0.50 0.00 C ATOM 1725 C VAL A 113 14.811 0.677 -0.780 0.50 0.00 C ATOM 1726 O VAL A 113 15.442 0.356 0.209 0.50 0.00 O ATOM 1727 CB VAL A 113 13.542 2.779 -0.169 0.50 0.00 C ATOM 1728 CG1 VAL A 113 12.155 3.321 0.183 0.50 0.00 C ATOM 1729 CG2 VAL A 113 14.437 2.844 1.071 0.50 0.00 C ATOM 0 H VAL A 113 12.837 0.884 1.349 0.50 0.00 H new ATOM 0 HA VAL A 113 12.960 1.279 -1.641 0.50 0.00 H new ATOM 0 HB VAL A 113 13.978 3.383 -0.965 0.50 0.00 H new ATOM 0 HG11 VAL A 113 12.244 4.351 0.528 0.50 0.00 H new ATOM 0 HG12 VAL A 113 11.517 3.288 -0.700 0.50 0.00 H new ATOM 0 HG13 VAL A 113 11.715 2.711 0.972 0.50 0.00 H new ATOM 0 HG21 VAL A 113 14.514 3.877 1.411 0.50 0.00 H new ATOM 0 HG22 VAL A 113 14.006 2.232 1.863 0.50 0.00 H new ATOM 0 HG23 VAL A 113 15.430 2.469 0.823 0.50 0.00 H new ATOM 1739 N LYS A 114 15.284 0.471 -1.980 0.50 0.00 N ATOM 1740 CA LYS A 114 16.624 -0.168 -2.150 0.50 0.00 C ATOM 1741 C LYS A 114 17.435 0.538 -3.242 0.50 0.00 C ATOM 1742 O LYS A 114 16.904 1.267 -4.056 0.50 0.00 O ATOM 1743 CB LYS A 114 16.323 -1.610 -2.557 0.50 0.00 C ATOM 1744 CG LYS A 114 16.330 -2.505 -1.316 0.50 0.00 C ATOM 1745 CD LYS A 114 16.030 -3.948 -1.724 0.50 0.00 C ATOM 1746 CE LYS A 114 17.308 -4.607 -2.246 0.50 0.00 C ATOM 1747 NZ LYS A 114 17.059 -6.071 -2.131 0.50 0.00 N ATOM 0 H LYS A 114 14.805 0.716 -2.846 0.50 0.00 H new ATOM 0 HA LYS A 114 17.219 -0.110 -1.238 0.50 0.00 H new ATOM 0 HB2 LYS A 114 15.353 -1.664 -3.052 0.50 0.00 H new ATOM 0 HB3 LYS A 114 17.066 -1.959 -3.274 0.50 0.00 H new ATOM 0 HG2 LYS A 114 17.300 -2.450 -0.821 0.50 0.00 H new ATOM 0 HG3 LYS A 114 15.586 -2.157 -0.599 0.50 0.00 H new ATOM 0 HD2 LYS A 114 15.643 -4.505 -0.871 0.50 0.00 H new ATOM 0 HD3 LYS A 114 15.258 -3.967 -2.493 0.50 0.00 H new ATOM 0 HE2 LYS A 114 17.507 -4.320 -3.279 0.50 0.00 H new ATOM 0 HE3 LYS A 114 18.176 -4.307 -1.659 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 17.892 -6.593 -2.471 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 16.879 -6.315 -1.136 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 16.231 -6.329 -2.706 0.50 0.00 H new ATOM 1761 N ASN A 115 18.724 0.317 -3.261 0.50 0.00 N ATOM 1762 CA ASN A 115 19.593 0.959 -4.291 0.50 0.00 C ATOM 1763 C ASN A 115 20.988 0.320 -4.260 0.50 0.00 C ATOM 1764 O ASN A 115 21.256 -0.525 -3.429 0.50 0.00 O ATOM 1765 CB ASN A 115 19.659 2.436 -3.896 0.50 0.00 C ATOM 1766 CG ASN A 115 19.058 3.298 -5.009 0.50 0.00 C ATOM 1767 OD1 ASN A 115 19.034 2.901 -6.157 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.571 4.472 -4.714 0.50 0.00 N ATOM 0 H ASN A 115 19.215 -0.286 -2.601 0.50 0.00 H new ATOM 0 HA ASN A 115 19.207 0.835 -5.303 0.50 0.00 H new ATOM 0 HB2 ASN A 115 19.116 2.597 -2.965 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.694 2.728 -3.716 0.50 0.00 H new ATOM 0 HD21 ASN A 115 18.170 5.057 -5.447 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.591 4.805 -3.750 0.50 0.00 H new ATOM 1775 N PRO A 116 21.834 0.735 -5.171 0.50 0.00 N ATOM 1776 CA PRO A 116 23.206 0.171 -5.243 0.50 0.00 C ATOM 1777 C PRO A 116 24.077 0.646 -4.071 0.50 0.00 C ATOM 1778 O PRO A 116 25.202 0.213 -3.919 0.50 0.00 O ATOM 1779 CB PRO A 116 23.743 0.701 -6.570 0.50 0.00 C ATOM 1780 CG PRO A 116 22.957 1.943 -6.839 0.50 0.00 C ATOM 1781 CD PRO A 116 21.604 1.755 -6.205 0.50 0.00 C ATOM 0 HA PRO A 116 23.211 -0.917 -5.183 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.810 0.916 -6.506 0.50 0.00 H new ATOM 0 HB3 PRO A 116 23.612 -0.029 -7.368 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.460 2.815 -6.422 0.50 0.00 H new ATOM 0 HG3 PRO A 116 22.860 2.113 -7.911 0.50 0.00 H new ATOM 0 HD2 PRO A 116 21.233 2.684 -5.773 0.50 0.00 H new ATOM 0 HD3 PRO A 116 20.864 1.425 -6.934 0.50 0.00 H new ATOM 1789 N VAL A 117 23.578 1.525 -3.239 0.50 0.00 N ATOM 1790 CA VAL A 117 24.403 2.001 -2.090 0.50 0.00 C ATOM 1791 C VAL A 117 23.886 1.409 -0.772 0.50 0.00 C ATOM 1792 O VAL A 117 24.655 1.147 0.132 0.50 0.00 O ATOM 1793 CB VAL A 117 24.276 3.525 -2.094 0.50 0.00 C ATOM 1794 CG1 VAL A 117 25.143 4.108 -0.977 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.757 4.068 -3.441 0.50 0.00 C ATOM 0 H VAL A 117 22.644 1.930 -3.305 0.50 0.00 H new ATOM 0 HA VAL A 117 25.443 1.689 -2.182 0.50 0.00 H new ATOM 0 HB VAL A 117 23.235 3.806 -1.935 0.50 0.00 H new ATOM 0 HG11 VAL A 117 25.055 5.194 -0.977 0.50 0.00 H new ATOM 0 HG12 VAL A 117 24.809 3.717 -0.016 0.50 0.00 H new ATOM 0 HG13 VAL A 117 26.184 3.829 -1.141 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.668 5.154 -3.448 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.799 3.788 -3.595 0.50 0.00 H new ATOM 0 HG23 VAL A 117 24.147 3.649 -4.241 0.50 0.00 H new ATOM 1805 N GLY A 118 22.599 1.188 -0.650 0.50 0.00 N ATOM 1806 CA GLY A 118 22.074 0.608 0.621 0.50 0.00 C ATOM 1807 C GLY A 118 20.592 0.266 0.466 0.50 0.00 C ATOM 1808 O GLY A 118 20.133 -0.088 -0.602 0.50 0.00 O ATOM 0 H GLY A 118 21.899 1.382 -1.366 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.637 -0.288 0.882 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.209 1.318 1.437 0.50 0.00 H new ATOM 1812 N GLU A 119 19.839 0.374 1.530 0.50 0.00 N ATOM 1813 CA GLU A 119 18.382 0.061 1.458 0.50 0.00 C ATOM 1814 C GLU A 119 17.680 0.516 2.741 0.50 0.00 C ATOM 1815 O GLU A 119 18.268 0.543 3.806 0.50 0.00 O ATOM 1816 CB GLU A 119 18.304 -1.461 1.310 0.50 0.00 C ATOM 1817 CG GLU A 119 18.959 -2.132 2.520 0.50 0.00 C ATOM 1818 CD GLU A 119 19.656 -3.420 2.076 0.50 0.00 C ATOM 1819 OE1 GLU A 119 19.029 -4.199 1.378 0.50 0.00 O ATOM 1820 OE2 GLU A 119 20.806 -3.603 2.440 0.50 0.00 O ATOM 0 H GLU A 119 20.172 0.667 2.448 0.50 0.00 H new ATOM 0 HA GLU A 119 17.892 0.572 0.630 0.50 0.00 H new ATOM 0 HB2 GLU A 119 17.264 -1.775 1.227 0.50 0.00 H new ATOM 0 HB3 GLU A 119 18.805 -1.773 0.394 0.50 0.00 H new ATOM 0 HG2 GLU A 119 19.680 -1.455 2.978 0.50 0.00 H new ATOM 0 HG3 GLU A 119 18.207 -2.355 3.276 0.50 0.00 H new ATOM 1827 N ASP A 120 16.426 0.870 2.649 0.50 0.00 N ATOM 1828 CA ASP A 120 15.681 1.320 3.861 0.50 0.00 C ATOM 1829 C ASP A 120 14.263 0.742 3.849 0.50 0.00 C ATOM 1830 O ASP A 120 13.824 0.174 2.868 0.50 0.00 O ATOM 1831 CB ASP A 120 15.644 2.847 3.763 0.50 0.00 C ATOM 1832 CG ASP A 120 16.139 3.458 5.076 0.50 0.00 C ATOM 1833 OD1 ASP A 120 15.319 3.670 5.954 0.50 0.00 O ATOM 1834 OD2 ASP A 120 17.329 3.702 5.181 0.50 0.00 O ATOM 0 H ASP A 120 15.884 0.867 1.785 0.50 0.00 H new ATOM 0 HA ASP A 120 16.152 0.987 4.786 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.268 3.184 2.935 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.629 3.184 3.554 0.50 0.00 H new ATOM 1839 N GLN A 121 13.546 0.879 4.932 0.50 0.00 N ATOM 1840 CA GLN A 121 12.161 0.333 4.982 0.50 0.00 C ATOM 1841 C GLN A 121 11.260 1.240 5.825 0.50 0.00 C ATOM 1842 O GLN A 121 11.723 2.095 6.553 0.50 0.00 O ATOM 1843 CB GLN A 121 12.297 -1.042 5.634 0.50 0.00 C ATOM 1844 CG GLN A 121 10.928 -1.722 5.677 0.50 0.00 C ATOM 1845 CD GLN A 121 11.113 -3.236 5.801 0.50 0.00 C ATOM 1846 OE1 GLN A 121 10.888 -3.802 6.852 0.50 0.00 O ATOM 1847 NE2 GLN A 121 11.515 -3.919 4.766 0.50 0.00 N ATOM 0 H GLN A 121 13.860 1.345 5.783 0.50 0.00 H new ATOM 0 HA GLN A 121 11.709 0.271 3.992 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.002 -1.655 5.072 0.50 0.00 H new ATOM 0 HB3 GLN A 121 12.697 -0.940 6.643 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.350 -1.345 6.521 0.50 0.00 H new ATOM 0 HG3 GLN A 121 10.365 -1.487 4.774 0.50 0.00 H new ATOM 0 HE21 GLN A 121 11.704 -3.444 3.883 0.50 0.00 H new ATOM 0 HE22 GLN A 121 11.641 -4.929 4.839 0.50 0.00 H new ATOM 1856 N VAL A 122 9.974 1.050 5.726 0.50 0.00 N ATOM 1857 CA VAL A 122 9.020 1.886 6.513 0.50 0.00 C ATOM 1858 C VAL A 122 7.629 1.249 6.450 0.50 0.00 C ATOM 1859 O VAL A 122 7.358 0.412 5.610 0.50 0.00 O ATOM 1860 CB VAL A 122 9.038 3.286 5.855 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.400 3.176 4.371 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.663 3.953 5.982 0.50 0.00 C ATOM 0 H VAL A 122 9.538 0.347 5.130 0.50 0.00 H new ATOM 0 HA VAL A 122 9.293 1.961 7.566 0.50 0.00 H new ATOM 0 HB VAL A 122 9.786 3.890 6.368 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.408 4.170 3.924 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.387 2.725 4.270 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.663 2.555 3.862 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.691 4.937 5.514 0.50 0.00 H new ATOM 0 HG22 VAL A 122 6.913 3.337 5.486 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.406 4.059 7.036 0.50 0.00 H new ATOM 1872 N ASN A 123 6.751 1.627 7.337 0.50 0.00 N ATOM 1873 CA ASN A 123 5.386 1.029 7.329 0.50 0.00 C ATOM 1874 C ASN A 123 4.362 2.027 6.788 0.50 0.00 C ATOM 1875 O ASN A 123 4.450 3.216 7.012 0.50 0.00 O ATOM 1876 CB ASN A 123 5.091 0.687 8.789 0.50 0.00 C ATOM 1877 CG ASN A 123 3.641 0.216 8.931 0.50 0.00 C ATOM 1878 OD1 ASN A 123 3.141 -0.504 8.093 0.50 0.00 O ATOM 1879 ND2 ASN A 123 2.943 0.599 9.965 0.50 0.00 N ATOM 0 H ASN A 123 6.918 2.322 8.065 0.50 0.00 H new ATOM 0 HA ASN A 123 5.330 0.150 6.687 0.50 0.00 H new ATOM 0 HB2 ASN A 123 5.771 -0.092 9.134 0.50 0.00 H new ATOM 0 HB3 ASN A 123 5.262 1.561 9.418 0.50 0.00 H new ATOM 0 HD21 ASN A 123 1.976 0.293 10.069 0.50 0.00 H new ATOM 0 HD22 ASN A 123 3.365 1.205 10.669 0.50 0.00 H new ATOM 1886 N LEU A 124 3.390 1.532 6.082 0.50 0.00 N ATOM 1887 CA LEU A 124 2.331 2.413 5.509 0.50 0.00 C ATOM 1888 C LEU A 124 0.970 2.045 6.112 0.50 0.00 C ATOM 1889 O LEU A 124 0.430 0.990 5.843 0.50 0.00 O ATOM 1890 CB LEU A 124 2.355 2.122 4.005 0.50 0.00 C ATOM 1891 CG LEU A 124 1.240 2.904 3.297 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.844 4.084 2.536 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.526 1.982 2.306 0.50 0.00 C ATOM 0 H LEU A 124 3.279 0.540 5.872 0.50 0.00 H new ATOM 0 HA LEU A 124 2.499 3.469 5.721 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.324 2.398 3.589 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.227 1.054 3.832 0.50 0.00 H new ATOM 0 HG LEU A 124 0.531 3.272 4.038 0.50 0.00 H new ATOM 0 HD11 LEU A 124 1.051 4.638 2.034 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.360 4.742 3.235 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.553 3.715 1.795 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.267 2.534 1.801 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.241 1.618 1.568 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.095 1.136 2.842 0.50 0.00 H new ATOM 1905 N THR A 125 0.413 2.904 6.923 0.50 0.00 N ATOM 1906 CA THR A 125 -0.910 2.594 7.539 0.50 0.00 C ATOM 1907 C THR A 125 -2.038 2.964 6.572 0.50 0.00 C ATOM 1908 O THR A 125 -1.859 3.764 5.675 0.50 0.00 O ATOM 1909 CB THR A 125 -0.975 3.456 8.801 0.50 0.00 C ATOM 1910 OG1 THR A 125 0.220 3.286 9.551 0.50 0.00 O ATOM 1911 CG2 THR A 125 -2.176 3.034 9.649 0.50 0.00 C ATOM 0 H THR A 125 0.815 3.804 7.185 0.50 0.00 H new ATOM 0 HA THR A 125 -1.023 1.534 7.769 0.50 0.00 H new ATOM 0 HB THR A 125 -1.082 4.504 8.520 0.50 0.00 H new ATOM 0 HG1 THR A 125 0.181 3.839 10.359 0.50 0.00 H new ATOM 0 HG21 THR A 125 -2.221 3.649 10.548 0.50 0.00 H new ATOM 0 HG22 THR A 125 -3.092 3.165 9.073 0.50 0.00 H new ATOM 0 HG23 THR A 125 -2.072 1.986 9.931 0.50 0.00 H new ATOM 1919 N VAL A 126 -3.197 2.383 6.743 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.330 2.701 5.825 0.50 0.00 C ATOM 1921 C VAL A 126 -5.619 2.951 6.617 0.50 0.00 C ATOM 1922 O VAL A 126 -5.751 2.542 7.753 0.50 0.00 O ATOM 1923 CB VAL A 126 -4.475 1.467 4.931 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.827 0.248 5.787 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.586 1.701 3.905 0.50 0.00 C ATOM 0 H VAL A 126 -3.407 1.705 7.475 0.50 0.00 H new ATOM 0 HA VAL A 126 -4.144 3.606 5.246 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.532 1.289 4.413 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.929 -0.629 5.147 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -4.036 0.075 6.516 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.767 0.429 6.308 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.686 0.821 3.270 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.527 1.884 4.423 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -5.337 2.565 3.290 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.569 3.616 6.016 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.854 3.894 6.719 0.50 0.00 C ATOM 1937 C LYS A 127 -8.960 4.130 5.689 0.50 0.00 C ATOM 1938 O LYS A 127 -8.963 5.125 4.991 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.594 5.162 7.534 0.50 0.00 C ATOM 1940 CG LYS A 127 -8.161 4.994 8.946 0.50 0.00 C ATOM 1941 CD LYS A 127 -7.302 5.780 9.941 0.50 0.00 C ATOM 1942 CE LYS A 127 -7.354 7.272 9.599 0.50 0.00 C ATOM 1943 NZ LYS A 127 -7.128 7.971 10.894 0.50 0.00 N ATOM 0 H LYS A 127 -6.510 3.980 5.065 0.50 0.00 H new ATOM 0 HA LYS A 127 -8.174 3.068 7.354 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.523 5.361 7.583 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -8.056 6.020 7.046 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -9.191 5.349 8.980 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -8.178 3.939 9.219 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -7.663 5.617 10.957 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -6.272 5.425 9.908 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -6.589 7.537 8.869 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -8.316 7.545 9.166 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -7.149 9.000 10.742 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -7.875 7.705 11.567 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -6.201 7.697 11.279 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.893 3.222 5.578 0.50 0.00 N ATOM 1958 CA VAL A 128 -10.984 3.405 4.578 0.50 0.00 C ATOM 1959 C VAL A 128 -12.048 4.366 5.112 0.50 0.00 C ATOM 1960 O VAL A 128 -12.696 4.104 6.107 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.599 2.020 4.360 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.631 2.113 3.235 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -10.511 1.013 3.964 0.50 0.00 C ATOM 0 H VAL A 128 -9.947 2.368 6.132 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.597 3.827 3.650 0.50 0.00 H new ATOM 0 HB VAL A 128 -12.072 1.685 5.283 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -13.077 1.133 3.069 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.409 2.824 3.513 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -12.143 2.449 2.320 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.961 0.032 3.812 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -10.032 1.339 3.041 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.766 0.951 4.757 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.239 5.472 4.446 0.50 0.00 N ATOM 1974 CA ILE A 129 -13.264 6.451 4.890 0.50 0.00 C ATOM 1975 C ILE A 129 -14.565 6.202 4.122 0.50 0.00 C ATOM 1976 O ILE A 129 -14.582 5.503 3.125 0.50 0.00 O ATOM 1977 CB ILE A 129 -12.672 7.814 4.533 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -11.410 8.062 5.370 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -13.697 8.912 4.816 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -11.759 8.031 6.861 0.50 0.00 C ATOM 0 H ILE A 129 -11.723 5.739 3.607 0.50 0.00 H new ATOM 0 HA ILE A 129 -13.498 6.379 5.952 0.50 0.00 H new ATOM 0 HB ILE A 129 -12.413 7.827 3.474 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -10.660 7.303 5.147 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -10.974 9.026 5.110 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -13.271 9.882 4.560 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -14.591 8.739 4.217 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -13.961 8.899 5.873 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -10.859 8.208 7.449 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -12.493 8.807 7.079 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -12.174 7.056 7.117 0.50 0.00 H new ATOM 1992 N ASP A 130 -15.653 6.764 4.575 0.50 0.00 N ATOM 1993 CA ASP A 130 -16.949 6.555 3.867 0.50 0.00 C ATOM 1994 C ASP A 130 -17.497 7.891 3.359 0.50 0.00 C ATOM 1995 O ASP A 130 -18.048 7.908 2.272 0.50 0.00 O ATOM 1996 CB ASP A 130 -17.883 5.957 4.919 0.50 0.00 C ATOM 1997 CG ASP A 130 -19.090 5.320 4.227 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -18.892 4.671 3.214 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -20.191 5.494 4.723 0.50 0.00 O ATOM 2000 OXT ASP A 130 -17.356 8.874 4.067 0.50 0.00 O ATOM 0 H ASP A 130 -15.701 7.358 5.403 0.50 0.00 H new ATOM 0 HA ASP A 130 -16.844 5.905 2.998 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -17.352 5.210 5.509 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.214 6.732 5.610 0.50 0.00 H new TER 2005 ASP A 130