USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 530 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 5 HIS : no HD1:sc= -1.14 K(o=-3.5,f=-6.5!) USER MOD Set 1.2: A 73 ASN : amide:sc= -2.32 K(o=-3.5,f=-15!) USER MOD Set 2.1: A 33 TYR OH : rot 137:sc= 1.24 USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 52 THR OG1 : rot 32:sc= 0.00366 USER MOD Set 3.2: A 54 TYR OH : rot 175:sc= 0.0233 USER MOD Set 4.1: A 35 THR OG1 : rot 131:sc= 0.814 USER MOD Set 4.2: A 37 THR OG1 : rot 180:sc= 0.311 USER MOD Set 5.1: A 32 THR OG1 : rot -81:sc= 0.176 USER MOD Set 5.2: A 62 SER OG : rot 180:sc= -1.25 USER MOD Set 6.1: A 28 MET CE :methyl -142:sc= 0 (180deg=0) USER MOD Set 6.2: A 30 THR OG1 : rot 171:sc= 0 USER MOD Set 7.1: A 13 ASN : amide:sc= -3.64! C(o=-2.4!,f=-12!) USER MOD Set 7.2: A 43 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.68) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= -0.189 (180deg=-0.849) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 16 ASN : amide:sc= -0.0969 K(o=-0.097,f=-2.3!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 80:sc= -1.35 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 39 MET CE :methyl -138:sc= -0.896 (180deg=-4.03!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.255 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= -0.288 (180deg=-1.14) USER MOD Single : A 60 HIS : no HE2:sc= -0.0685 K(o=-0.068,f=-1.4) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.77) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.799 -5.366 -3.896 1.00 75.44 N ATOM 2 CA MET A 1 -1.908 -5.144 -2.459 1.00 54.13 C ATOM 3 C MET A 1 -0.634 -5.581 -1.743 1.00 52.34 C ATOM 4 O MET A 1 -0.689 -6.220 -0.692 1.00 2.11 O ATOM 5 CB MET A 1 -3.111 -5.903 -1.894 1.00 4.51 C ATOM 6 CG MET A 1 -3.069 -7.397 -2.166 1.00 63.43 C ATOM 7 SD MET A 1 -4.676 -8.187 -1.958 1.00 55.41 S ATOM 8 CE MET A 1 -4.882 -8.073 -0.182 1.00 60.14 C ATOM 0 H1 MET A 1 -2.704 -5.724 -4.262 1.00 75.44 H new ATOM 0 H2 MET A 1 -1.564 -4.470 -4.369 1.00 75.44 H new ATOM 0 H3 MET A 1 -1.050 -6.063 -4.084 1.00 75.44 H new ATOM 0 HA MET A 1 -2.050 -4.076 -2.291 1.00 54.13 H new ATOM 0 HB2 MET A 1 -3.161 -5.739 -0.818 1.00 4.51 H new ATOM 0 HB3 MET A 1 -4.024 -5.490 -2.322 1.00 4.51 H new ATOM 0 HG2 MET A 1 -2.714 -7.567 -3.182 1.00 63.43 H new ATOM 0 HG3 MET A 1 -2.349 -7.864 -1.494 1.00 63.43 H new ATOM 0 HE1 MET A 1 -5.834 -8.521 0.103 1.00 60.14 H new ATOM 0 HE2 MET A 1 -4.068 -8.603 0.313 1.00 60.14 H new ATOM 0 HE3 MET A 1 -4.869 -7.026 0.119 1.00 60.14 H new ATOM 18 N LEU A 2 0.511 -5.232 -2.319 1.00 23.50 N ATOM 19 CA LEU A 2 1.800 -5.589 -1.736 1.00 0.04 C ATOM 20 C LEU A 2 2.883 -4.604 -2.164 1.00 12.31 C ATOM 21 O LEU A 2 2.804 -4.008 -3.238 1.00 41.23 O ATOM 22 CB LEU A 2 2.194 -7.008 -2.148 1.00 73.34 C ATOM 23 CG LEU A 2 3.553 -7.500 -1.649 1.00 40.35 C ATOM 24 CD1 LEU A 2 3.536 -7.674 -0.139 1.00 1.22 C ATOM 25 CD2 LEU A 2 3.933 -8.805 -2.334 1.00 54.53 C ATOM 0 H LEU A 2 0.573 -4.703 -3.189 1.00 23.50 H new ATOM 0 HA LEU A 2 1.704 -5.546 -0.651 1.00 0.04 H new ATOM 0 HB2 LEU A 2 1.427 -7.695 -1.789 1.00 73.34 H new ATOM 0 HB3 LEU A 2 2.187 -7.064 -3.237 1.00 73.34 H new ATOM 0 HG LEU A 2 4.303 -6.750 -1.899 1.00 40.35 H new ATOM 0 HD11 LEU A 2 4.512 -8.025 0.198 1.00 1.22 H new ATOM 0 HD12 LEU A 2 3.310 -6.719 0.335 1.00 1.22 H new ATOM 0 HD13 LEU A 2 2.774 -8.404 0.135 1.00 1.22 H new ATOM 0 HD21 LEU A 2 4.903 -9.140 -1.966 1.00 54.53 H new ATOM 0 HD22 LEU A 2 3.181 -9.563 -2.116 1.00 54.53 H new ATOM 0 HD23 LEU A 2 3.988 -8.648 -3.411 1.00 54.53 H new ATOM 37 N ASP A 3 3.894 -4.439 -1.318 1.00 33.22 N ATOM 38 CA ASP A 3 4.995 -3.529 -1.610 1.00 12.20 C ATOM 39 C ASP A 3 6.279 -4.302 -1.892 1.00 61.31 C ATOM 40 O ASP A 3 6.660 -5.192 -1.131 1.00 62.54 O ATOM 41 CB ASP A 3 5.211 -2.565 -0.442 1.00 42.03 C ATOM 42 CG ASP A 3 3.944 -1.828 -0.058 1.00 13.43 C ATOM 43 OD1 ASP A 3 3.117 -2.411 0.673 1.00 31.45 O ATOM 44 OD2 ASP A 3 3.778 -0.667 -0.489 1.00 0.04 O ATOM 0 H ASP A 3 3.974 -4.924 -0.424 1.00 33.22 H new ATOM 0 HA ASP A 3 4.734 -2.957 -2.500 1.00 12.20 H new ATOM 0 HB2 ASP A 3 5.580 -3.120 0.420 1.00 42.03 H new ATOM 0 HB3 ASP A 3 5.982 -1.842 -0.709 1.00 42.03 H new ATOM 49 N CYS A 4 6.942 -3.957 -2.991 1.00 21.42 N ATOM 50 CA CYS A 4 8.183 -4.619 -3.375 1.00 72.53 C ATOM 51 C CYS A 4 9.190 -3.612 -3.923 1.00 73.22 C ATOM 52 O CYS A 4 8.829 -2.493 -4.289 1.00 34.13 O ATOM 53 CB CYS A 4 7.905 -5.701 -4.422 1.00 3.52 C ATOM 54 SG CYS A 4 6.494 -6.780 -4.019 1.00 65.43 S ATOM 0 H CYS A 4 6.640 -3.223 -3.631 1.00 21.42 H new ATOM 0 HA CYS A 4 8.608 -5.084 -2.486 1.00 72.53 H new ATOM 0 HB2 CYS A 4 7.720 -5.222 -5.383 1.00 3.52 H new ATOM 0 HB3 CYS A 4 8.797 -6.316 -4.539 1.00 3.52 H new ATOM 59 N HIS A 5 10.454 -4.018 -3.977 1.00 45.23 N ATOM 60 CA HIS A 5 11.514 -3.151 -4.481 1.00 62.53 C ATOM 61 C HIS A 5 11.580 -3.204 -6.005 1.00 1.23 C ATOM 62 O HIS A 5 11.906 -4.238 -6.587 1.00 64.21 O ATOM 63 CB HIS A 5 12.862 -3.560 -3.887 1.00 21.25 C ATOM 64 CG HIS A 5 13.039 -3.141 -2.459 1.00 72.35 C ATOM 65 ND1 HIS A 5 13.289 -1.839 -2.083 1.00 15.50 N ATOM 66 CD2 HIS A 5 12.999 -3.861 -1.314 1.00 71.40 C ATOM 67 CE1 HIS A 5 13.396 -1.776 -0.768 1.00 4.42 C ATOM 68 NE2 HIS A 5 13.224 -2.990 -0.277 1.00 42.21 N ATOM 0 H HIS A 5 10.770 -4.941 -3.678 1.00 45.23 H new ATOM 0 HA HIS A 5 11.287 -2.128 -4.179 1.00 62.53 H new ATOM 0 HB2 HIS A 5 12.966 -4.643 -3.955 1.00 21.25 H new ATOM 0 HB3 HIS A 5 13.661 -3.125 -4.487 1.00 21.25 H new ATOM 0 HD2 HIS A 5 12.823 -4.923 -1.231 1.00 71.40 H new ATOM 0 HE1 HIS A 5 13.591 -0.883 -0.192 1.00 4.42 H new ATOM 0 HE2 HIS A 5 13.254 -3.240 0.712 1.00 42.21 H new ATOM 76 N VAL A 6 11.267 -2.082 -6.645 1.00 3.52 N ATOM 77 CA VAL A 6 11.291 -1.999 -8.100 1.00 64.43 C ATOM 78 C VAL A 6 12.448 -1.131 -8.583 1.00 22.53 C ATOM 79 O VAL A 6 12.393 0.096 -8.502 1.00 44.15 O ATOM 80 CB VAL A 6 9.971 -1.429 -8.652 1.00 63.11 C ATOM 81 CG1 VAL A 6 10.006 -1.376 -10.172 1.00 3.02 C ATOM 82 CG2 VAL A 6 8.790 -2.256 -8.166 1.00 41.44 C ATOM 0 H VAL A 6 10.994 -1.217 -6.178 1.00 3.52 H new ATOM 0 HA VAL A 6 11.423 -3.015 -8.472 1.00 64.43 H new ATOM 0 HB VAL A 6 9.851 -0.412 -8.280 1.00 63.11 H new ATOM 0 HG11 VAL A 6 9.065 -0.971 -10.544 1.00 3.02 H new ATOM 0 HG12 VAL A 6 10.829 -0.738 -10.495 1.00 3.02 H new ATOM 0 HG13 VAL A 6 10.150 -2.381 -10.568 1.00 3.02 H new ATOM 0 HG21 VAL A 6 7.865 -1.839 -8.565 1.00 41.44 H new ATOM 0 HG22 VAL A 6 8.902 -3.285 -8.507 1.00 41.44 H new ATOM 0 HG23 VAL A 6 8.756 -2.237 -7.077 1.00 41.44 H new ATOM 92 N CYS A 7 13.496 -1.777 -9.085 1.00 15.13 N ATOM 93 CA CYS A 7 14.667 -1.065 -9.581 1.00 61.20 C ATOM 94 C CYS A 7 15.683 -2.037 -10.174 1.00 70.14 C ATOM 95 O CYS A 7 15.552 -3.252 -10.030 1.00 64.23 O ATOM 96 CB CYS A 7 15.315 -0.258 -8.454 1.00 72.21 C ATOM 97 SG CYS A 7 15.929 -1.273 -7.071 1.00 51.32 S ATOM 0 H CYS A 7 13.557 -2.792 -9.159 1.00 15.13 H new ATOM 0 HA CYS A 7 14.341 -0.383 -10.366 1.00 61.20 H new ATOM 0 HB2 CYS A 7 16.145 0.318 -8.864 1.00 72.21 H new ATOM 0 HB3 CYS A 7 14.589 0.458 -8.070 1.00 72.21 H new ATOM 102 N ALA A 8 16.695 -1.492 -10.842 1.00 31.12 N ATOM 103 CA ALA A 8 17.734 -2.310 -11.455 1.00 2.11 C ATOM 104 C ALA A 8 19.097 -1.633 -11.353 1.00 52.12 C ATOM 105 O ALA A 8 19.236 -0.448 -11.657 1.00 43.11 O ATOM 106 CB ALA A 8 17.392 -2.595 -12.910 1.00 33.24 C ATOM 0 H ALA A 8 16.817 -0.488 -10.972 1.00 31.12 H new ATOM 0 HA ALA A 8 17.785 -3.255 -10.913 1.00 2.11 H new ATOM 0 HB1 ALA A 8 18.177 -3.207 -13.355 1.00 33.24 H new ATOM 0 HB2 ALA A 8 16.443 -3.128 -12.963 1.00 33.24 H new ATOM 0 HB3 ALA A 8 17.311 -1.655 -13.456 1.00 33.24 H new ATOM 112 N TYR A 9 20.099 -2.392 -10.923 1.00 55.05 N ATOM 113 CA TYR A 9 21.450 -1.864 -10.779 1.00 31.03 C ATOM 114 C TYR A 9 22.489 -2.920 -11.144 1.00 2.45 C ATOM 115 O TYR A 9 22.242 -4.118 -11.021 1.00 73.53 O ATOM 116 CB TYR A 9 21.680 -1.380 -9.346 1.00 50.52 C ATOM 117 CG TYR A 9 23.050 -0.780 -9.122 1.00 53.55 C ATOM 118 CD1 TYR A 9 23.440 0.377 -9.787 1.00 31.21 C ATOM 119 CD2 TYR A 9 23.954 -1.369 -8.248 1.00 31.21 C ATOM 120 CE1 TYR A 9 24.691 0.928 -9.586 1.00 55.43 C ATOM 121 CE2 TYR A 9 25.206 -0.824 -8.040 1.00 51.10 C ATOM 122 CZ TYR A 9 25.570 0.325 -8.712 1.00 33.34 C ATOM 123 OH TYR A 9 26.817 0.870 -8.508 1.00 54.23 O ATOM 0 H TYR A 9 20.001 -3.375 -10.668 1.00 55.05 H new ATOM 0 HA TYR A 9 21.559 -1.022 -11.462 1.00 31.03 H new ATOM 0 HB2 TYR A 9 20.922 -0.637 -9.096 1.00 50.52 H new ATOM 0 HB3 TYR A 9 21.543 -2.218 -8.662 1.00 50.52 H new ATOM 0 HD1 TYR A 9 22.754 0.853 -10.472 1.00 31.21 H new ATOM 0 HD2 TYR A 9 23.673 -2.269 -7.722 1.00 31.21 H new ATOM 0 HE1 TYR A 9 24.979 1.827 -10.111 1.00 55.43 H new ATOM 0 HE2 TYR A 9 25.896 -1.294 -7.355 1.00 51.10 H new ATOM 0 HH TYR A 9 27.311 0.324 -7.862 1.00 54.23 H new ATOM 133 N ASN A 10 23.654 -2.463 -11.592 1.00 23.42 N ATOM 134 CA ASN A 10 24.733 -3.367 -11.975 1.00 32.31 C ATOM 135 C ASN A 10 25.714 -3.563 -10.823 1.00 13.21 C ATOM 136 O ASN A 10 26.879 -3.178 -10.913 1.00 53.15 O ATOM 137 CB ASN A 10 25.470 -2.824 -13.201 1.00 21.43 C ATOM 138 CG ASN A 10 24.576 -2.741 -14.423 1.00 63.10 C ATOM 139 OD1 ASN A 10 23.535 -3.395 -14.490 1.00 43.23 O ATOM 140 ND2 ASN A 10 24.980 -1.934 -15.397 1.00 63.12 N ATOM 0 H ASN A 10 23.875 -1.473 -11.699 1.00 23.42 H new ATOM 0 HA ASN A 10 24.293 -4.333 -12.222 1.00 32.31 H new ATOM 0 HB2 ASN A 10 25.865 -1.833 -12.975 1.00 21.43 H new ATOM 0 HB3 ASN A 10 26.324 -3.465 -13.422 1.00 21.43 H new ATOM 0 HD21 ASN A 10 24.420 -1.837 -16.244 1.00 63.12 H new ATOM 0 HD22 ASN A 10 25.850 -1.411 -15.298 1.00 63.12 H new ATOM 147 N GLY A 11 25.233 -4.165 -9.739 1.00 42.11 N ATOM 148 CA GLY A 11 26.080 -4.402 -8.585 1.00 4.21 C ATOM 149 C GLY A 11 25.501 -5.439 -7.643 1.00 51.14 C ATOM 150 O GLY A 11 25.107 -6.524 -8.071 1.00 53.00 O ATOM 0 H GLY A 11 24.272 -4.493 -9.640 1.00 42.11 H new ATOM 0 HA2 GLY A 11 27.063 -4.730 -8.921 1.00 4.21 H new ATOM 0 HA3 GLY A 11 26.224 -3.466 -8.046 1.00 4.21 H new ATOM 154 N ASP A 12 25.450 -5.106 -6.358 1.00 64.23 N ATOM 155 CA ASP A 12 24.916 -6.017 -5.353 1.00 74.41 C ATOM 156 C ASP A 12 23.393 -6.079 -5.430 1.00 42.34 C ATOM 157 O ASP A 12 22.827 -7.040 -5.948 1.00 74.11 O ATOM 158 CB ASP A 12 25.350 -5.579 -3.954 1.00 24.22 C ATOM 159 CG ASP A 12 26.825 -5.826 -3.702 1.00 11.21 C ATOM 160 OD1 ASP A 12 27.655 -5.094 -4.279 1.00 45.22 O ATOM 161 OD2 ASP A 12 27.148 -6.751 -2.928 1.00 63.41 O ATOM 0 H ASP A 12 25.772 -4.212 -5.988 1.00 64.23 H new ATOM 0 HA ASP A 12 25.313 -7.012 -5.553 1.00 74.41 H new ATOM 0 HB2 ASP A 12 25.135 -4.518 -3.825 1.00 24.22 H new ATOM 0 HB3 ASP A 12 24.762 -6.116 -3.210 1.00 24.22 H new ATOM 166 N ASN A 13 22.737 -5.046 -4.911 1.00 24.13 N ATOM 167 CA ASN A 13 21.280 -4.983 -4.919 1.00 63.54 C ATOM 168 C ASN A 13 20.796 -3.559 -4.666 1.00 75.20 C ATOM 169 O ASN A 13 21.125 -2.952 -3.647 1.00 11.51 O ATOM 170 CB ASN A 13 20.702 -5.927 -3.862 1.00 43.52 C ATOM 171 CG ASN A 13 20.494 -7.332 -4.393 1.00 1.21 C ATOM 172 OD1 ASN A 13 19.561 -7.588 -5.155 1.00 3.15 O ATOM 173 ND2 ASN A 13 21.365 -8.251 -3.991 1.00 52.35 N ATOM 0 H ASN A 13 23.191 -4.241 -4.480 1.00 24.13 H new ATOM 0 HA ASN A 13 20.933 -5.296 -5.904 1.00 63.54 H new ATOM 0 HB2 ASN A 13 21.373 -5.962 -3.004 1.00 43.52 H new ATOM 0 HB3 ASN A 13 19.751 -5.531 -3.507 1.00 43.52 H new ATOM 0 HD21 ASN A 13 21.276 -9.214 -4.315 1.00 52.35 H new ATOM 0 HD22 ASN A 13 22.123 -7.993 -3.359 1.00 52.35 H new ATOM 180 N CYS A 14 20.011 -3.032 -5.600 1.00 33.41 N ATOM 181 CA CYS A 14 19.479 -1.680 -5.479 1.00 65.13 C ATOM 182 C CYS A 14 18.313 -1.640 -4.496 1.00 40.53 C ATOM 183 O CYS A 14 17.745 -2.675 -4.147 1.00 53.54 O ATOM 184 CB CYS A 14 19.027 -1.164 -6.847 1.00 13.35 C ATOM 185 SG CYS A 14 17.655 -2.110 -7.582 1.00 31.32 S ATOM 0 H CYS A 14 19.729 -3.521 -6.449 1.00 33.41 H new ATOM 0 HA CYS A 14 20.272 -1.036 -5.099 1.00 65.13 H new ATOM 0 HB2 CYS A 14 18.724 -0.122 -6.748 1.00 13.35 H new ATOM 0 HB3 CYS A 14 19.876 -1.185 -7.530 1.00 13.35 H new ATOM 190 N PHE A 15 17.961 -0.437 -4.053 1.00 43.04 N ATOM 191 CA PHE A 15 16.863 -0.261 -3.110 1.00 43.32 C ATOM 192 C PHE A 15 15.862 0.768 -3.627 1.00 41.41 C ATOM 193 O PHE A 15 16.202 1.934 -3.828 1.00 35.33 O ATOM 194 CB PHE A 15 17.400 0.175 -1.745 1.00 64.42 C ATOM 195 CG PHE A 15 18.150 -0.908 -1.023 1.00 21.10 C ATOM 196 CD1 PHE A 15 17.655 -2.201 -0.979 1.00 70.35 C ATOM 197 CD2 PHE A 15 19.350 -0.632 -0.387 1.00 71.31 C ATOM 198 CE1 PHE A 15 18.343 -3.200 -0.316 1.00 74.21 C ATOM 199 CE2 PHE A 15 20.042 -1.627 0.277 1.00 1.04 C ATOM 200 CZ PHE A 15 19.537 -2.912 0.314 1.00 23.21 C ATOM 0 H PHE A 15 18.420 0.430 -4.332 1.00 43.04 H new ATOM 0 HA PHE A 15 16.352 -1.218 -3.003 1.00 43.32 H new ATOM 0 HB2 PHE A 15 18.058 1.034 -1.879 1.00 64.42 H new ATOM 0 HB3 PHE A 15 16.567 0.505 -1.124 1.00 64.42 H new ATOM 0 HD1 PHE A 15 16.720 -2.431 -1.469 1.00 70.35 H new ATOM 0 HD2 PHE A 15 19.749 0.371 -0.411 1.00 71.31 H new ATOM 0 HE1 PHE A 15 17.947 -4.204 -0.291 1.00 74.21 H new ATOM 0 HE2 PHE A 15 20.977 -1.400 0.767 1.00 1.04 H new ATOM 0 HZ PHE A 15 20.075 -3.690 0.835 1.00 23.21 H new ATOM 210 N ASN A 16 14.627 0.328 -3.841 1.00 33.50 N ATOM 211 CA ASN A 16 13.576 1.209 -4.336 1.00 15.23 C ATOM 212 C ASN A 16 12.197 0.602 -4.093 1.00 62.33 C ATOM 213 O ASN A 16 11.644 -0.102 -4.939 1.00 22.33 O ATOM 214 CB ASN A 16 13.770 1.481 -5.829 1.00 10.12 C ATOM 215 CG ASN A 16 12.983 2.687 -6.304 1.00 4.40 C ATOM 216 OD1 ASN A 16 12.037 3.123 -5.648 1.00 74.34 O ATOM 217 ND2 ASN A 16 13.373 3.234 -7.450 1.00 61.40 N ATOM 0 H ASN A 16 14.329 -0.634 -3.679 1.00 33.50 H new ATOM 0 HA ASN A 16 13.640 2.151 -3.791 1.00 15.23 H new ATOM 0 HB2 ASN A 16 14.829 1.639 -6.032 1.00 10.12 H new ATOM 0 HB3 ASN A 16 13.464 0.603 -6.398 1.00 10.12 H new ATOM 0 HD21 ASN A 16 12.883 4.049 -7.819 1.00 61.40 H new ATOM 0 HD22 ASN A 16 14.163 2.839 -7.961 1.00 61.40 H new ATOM 224 N PRO A 17 11.628 0.880 -2.911 1.00 74.32 N ATOM 225 CA PRO A 17 10.306 0.372 -2.530 1.00 64.31 C ATOM 226 C PRO A 17 9.183 1.017 -3.334 1.00 40.40 C ATOM 227 O PRO A 17 8.980 2.230 -3.272 1.00 23.43 O ATOM 228 CB PRO A 17 10.193 0.752 -1.052 1.00 0.12 C ATOM 229 CG PRO A 17 11.095 1.927 -0.893 1.00 13.32 C ATOM 230 CD PRO A 17 12.229 1.712 -1.856 1.00 23.11 C ATOM 0 HA PRO A 17 10.211 -0.697 -2.718 1.00 64.31 H new ATOM 0 HB2 PRO A 17 9.166 1.002 -0.785 1.00 0.12 H new ATOM 0 HB3 PRO A 17 10.499 -0.072 -0.407 1.00 0.12 H new ATOM 0 HG2 PRO A 17 10.568 2.856 -1.112 1.00 13.32 H new ATOM 0 HG3 PRO A 17 11.461 2.002 0.131 1.00 13.32 H new ATOM 0 HD2 PRO A 17 12.603 2.656 -2.253 1.00 23.11 H new ATOM 0 HD3 PRO A 17 13.071 1.210 -1.379 1.00 23.11 H new ATOM 238 N MET A 18 8.456 0.200 -4.088 1.00 35.31 N ATOM 239 CA MET A 18 7.351 0.692 -4.903 1.00 0.32 C ATOM 240 C MET A 18 6.102 -0.159 -4.698 1.00 22.31 C ATOM 241 O MET A 18 6.145 -1.382 -4.832 1.00 31.41 O ATOM 242 CB MET A 18 7.743 0.696 -6.382 1.00 14.53 C ATOM 243 CG MET A 18 6.631 1.173 -7.303 1.00 64.42 C ATOM 244 SD MET A 18 5.586 -0.176 -7.886 1.00 24.31 S ATOM 245 CE MET A 18 4.870 0.560 -9.353 1.00 62.33 C ATOM 0 H MET A 18 8.612 -0.806 -4.152 1.00 35.31 H new ATOM 0 HA MET A 18 7.128 1.712 -4.591 1.00 0.32 H new ATOM 0 HB2 MET A 18 8.615 1.336 -6.517 1.00 14.53 H new ATOM 0 HB3 MET A 18 8.039 -0.312 -6.674 1.00 14.53 H new ATOM 0 HG2 MET A 18 6.016 1.902 -6.776 1.00 64.42 H new ATOM 0 HG3 MET A 18 7.069 1.685 -8.160 1.00 64.42 H new ATOM 0 HE1 MET A 18 4.197 -0.155 -9.827 1.00 62.33 H new ATOM 0 HE2 MET A 18 4.312 1.455 -9.076 1.00 62.33 H new ATOM 0 HE3 MET A 18 5.664 0.828 -10.050 1.00 62.33 H new ATOM 255 N ARG A 19 4.992 0.495 -4.372 1.00 61.23 N ATOM 256 CA ARG A 19 3.732 -0.203 -4.147 1.00 60.15 C ATOM 257 C ARG A 19 3.145 -0.702 -5.464 1.00 75.33 C ATOM 258 O ARG A 19 2.924 0.076 -6.393 1.00 22.02 O ATOM 259 CB ARG A 19 2.732 0.719 -3.447 1.00 72.53 C ATOM 260 CG ARG A 19 1.335 0.129 -3.336 1.00 41.44 C ATOM 261 CD ARG A 19 1.253 -0.904 -2.224 1.00 10.12 C ATOM 262 NE ARG A 19 0.807 -0.317 -0.963 1.00 54.33 N ATOM 263 CZ ARG A 19 0.371 -1.033 0.067 1.00 14.52 C ATOM 264 NH1 ARG A 19 0.323 -2.355 -0.013 1.00 30.12 N ATOM 265 NH2 ARG A 19 -0.018 -0.425 1.181 1.00 35.41 N ATOM 0 H ARG A 19 4.940 1.507 -4.258 1.00 61.23 H new ATOM 0 HA ARG A 19 3.931 -1.064 -3.508 1.00 60.15 H new ATOM 0 HB2 ARG A 19 3.101 0.949 -2.447 1.00 72.53 H new ATOM 0 HB3 ARG A 19 2.677 1.662 -3.991 1.00 72.53 H new ATOM 0 HG2 ARG A 19 0.616 0.926 -3.147 1.00 41.44 H new ATOM 0 HG3 ARG A 19 1.057 -0.332 -4.284 1.00 41.44 H new ATOM 0 HD2 ARG A 19 0.566 -1.698 -2.517 1.00 10.12 H new ATOM 0 HD3 ARG A 19 2.231 -1.364 -2.084 1.00 10.12 H new ATOM 0 HE ARG A 19 0.832 0.698 -0.868 1.00 54.33 H new ATOM 0 HH11 ARG A 19 0.621 -2.825 -0.867 1.00 30.12 H new ATOM 0 HH12 ARG A 19 -0.012 -2.902 0.780 1.00 30.12 H new ATOM 0 HH21 ARG A 19 0.018 0.592 1.246 1.00 35.41 H new ATOM 0 HH22 ARG A 19 -0.353 -0.975 1.972 1.00 35.41 H new ATOM 279 N CYS A 20 2.894 -2.005 -5.538 1.00 75.11 N ATOM 280 CA CYS A 20 2.333 -2.609 -6.741 1.00 32.45 C ATOM 281 C CYS A 20 0.869 -2.217 -6.915 1.00 15.44 C ATOM 282 O CYS A 20 0.180 -1.852 -5.961 1.00 42.12 O ATOM 283 CB CYS A 20 2.460 -4.133 -6.678 1.00 14.24 C ATOM 284 SG CYS A 20 4.063 -4.720 -6.042 1.00 14.22 S ATOM 0 H CYS A 20 3.070 -2.663 -4.779 1.00 75.11 H new ATOM 0 HA CYS A 20 2.894 -2.239 -7.599 1.00 32.45 H new ATOM 0 HB2 CYS A 20 1.664 -4.527 -6.046 1.00 14.24 H new ATOM 0 HB3 CYS A 20 2.306 -4.541 -7.677 1.00 14.24 H new ATOM 289 N PRO A 21 0.380 -2.293 -8.161 1.00 51.54 N ATOM 290 CA PRO A 21 -1.007 -1.950 -8.490 1.00 40.03 C ATOM 291 C PRO A 21 -2.002 -2.963 -7.934 1.00 2.33 C ATOM 292 O PRO A 21 -1.634 -3.851 -7.166 1.00 65.32 O ATOM 293 CB PRO A 21 -1.024 -1.970 -10.021 1.00 3.52 C ATOM 294 CG PRO A 21 0.085 -2.890 -10.400 1.00 52.31 C ATOM 295 CD PRO A 21 1.144 -2.719 -9.346 1.00 35.20 C ATOM 0 HA PRO A 21 -1.303 -0.994 -8.059 1.00 40.03 H new ATOM 0 HB2 PRO A 21 -1.981 -2.326 -10.402 1.00 3.52 H new ATOM 0 HB3 PRO A 21 -0.869 -0.972 -10.432 1.00 3.52 H new ATOM 0 HG2 PRO A 21 -0.261 -3.923 -10.441 1.00 52.31 H new ATOM 0 HG3 PRO A 21 0.475 -2.645 -11.388 1.00 52.31 H new ATOM 0 HD2 PRO A 21 1.683 -3.649 -9.164 1.00 35.20 H new ATOM 0 HD3 PRO A 21 1.884 -1.973 -9.637 1.00 35.20 H new ATOM 303 N ALA A 22 -3.264 -2.823 -8.326 1.00 41.41 N ATOM 304 CA ALA A 22 -4.311 -3.727 -7.868 1.00 71.10 C ATOM 305 C ALA A 22 -4.431 -4.938 -8.787 1.00 54.12 C ATOM 306 O ALA A 22 -5.528 -5.446 -9.019 1.00 21.31 O ATOM 307 CB ALA A 22 -5.641 -2.994 -7.781 1.00 53.44 C ATOM 0 H ALA A 22 -3.586 -2.092 -8.960 1.00 41.41 H new ATOM 0 HA ALA A 22 -4.040 -4.083 -6.874 1.00 71.10 H new ATOM 0 HB1 ALA A 22 -6.414 -3.682 -7.438 1.00 53.44 H new ATOM 0 HB2 ALA A 22 -5.554 -2.165 -7.078 1.00 53.44 H new ATOM 0 HB3 ALA A 22 -5.909 -2.609 -8.765 1.00 53.44 H new ATOM 313 N MET A 23 -3.297 -5.394 -9.308 1.00 73.35 N ATOM 314 CA MET A 23 -3.277 -6.546 -10.202 1.00 63.44 C ATOM 315 C MET A 23 -2.135 -7.492 -9.844 1.00 62.21 C ATOM 316 O MET A 23 -2.226 -8.701 -10.060 1.00 45.32 O ATOM 317 CB MET A 23 -3.139 -6.089 -11.656 1.00 4.23 C ATOM 318 CG MET A 23 -1.902 -5.243 -11.912 1.00 23.15 C ATOM 319 SD MET A 23 -1.542 -5.052 -13.668 1.00 61.30 S ATOM 320 CE MET A 23 -2.205 -3.417 -13.974 1.00 12.12 C ATOM 0 H MET A 23 -2.381 -4.984 -9.127 1.00 73.35 H new ATOM 0 HA MET A 23 -4.219 -7.081 -10.085 1.00 63.44 H new ATOM 0 HB2 MET A 23 -3.110 -6.966 -12.303 1.00 4.23 H new ATOM 0 HB3 MET A 23 -4.024 -5.517 -11.934 1.00 4.23 H new ATOM 0 HG2 MET A 23 -2.041 -4.259 -11.464 1.00 23.15 H new ATOM 0 HG3 MET A 23 -1.045 -5.700 -11.417 1.00 23.15 H new ATOM 0 HE1 MET A 23 -2.057 -3.155 -15.022 1.00 12.12 H new ATOM 0 HE2 MET A 23 -3.270 -3.408 -13.744 1.00 12.12 H new ATOM 0 HE3 MET A 23 -1.691 -2.692 -13.343 1.00 12.12 H new ATOM 330 N VAL A 24 -1.060 -6.934 -9.296 1.00 31.33 N ATOM 331 CA VAL A 24 0.099 -7.728 -8.907 1.00 22.32 C ATOM 332 C VAL A 24 0.009 -8.154 -7.446 1.00 34.22 C ATOM 333 O VAL A 24 -0.512 -7.421 -6.606 1.00 11.30 O ATOM 334 CB VAL A 24 1.411 -6.950 -9.123 1.00 14.12 C ATOM 335 CG1 VAL A 24 2.593 -7.733 -8.572 1.00 41.53 C ATOM 336 CG2 VAL A 24 1.608 -6.638 -10.599 1.00 33.14 C ATOM 0 H VAL A 24 -0.968 -5.935 -9.112 1.00 31.33 H new ATOM 0 HA VAL A 24 0.102 -8.614 -9.541 1.00 22.32 H new ATOM 0 HB VAL A 24 1.347 -6.006 -8.581 1.00 14.12 H new ATOM 0 HG11 VAL A 24 3.511 -7.168 -8.734 1.00 41.53 H new ATOM 0 HG12 VAL A 24 2.453 -7.900 -7.504 1.00 41.53 H new ATOM 0 HG13 VAL A 24 2.663 -8.693 -9.083 1.00 41.53 H new ATOM 0 HG21 VAL A 24 2.539 -6.088 -10.733 1.00 33.14 H new ATOM 0 HG22 VAL A 24 1.651 -7.569 -11.165 1.00 33.14 H new ATOM 0 HG23 VAL A 24 0.775 -6.033 -10.957 1.00 33.14 H new ATOM 346 N ALA A 25 0.520 -9.345 -7.149 1.00 55.24 N ATOM 347 CA ALA A 25 0.499 -9.868 -5.789 1.00 53.21 C ATOM 348 C ALA A 25 1.723 -10.734 -5.515 1.00 64.22 C ATOM 349 O ALA A 25 1.619 -11.798 -4.904 1.00 42.11 O ATOM 350 CB ALA A 25 -0.777 -10.662 -5.548 1.00 65.14 C ATOM 0 H ALA A 25 0.954 -9.965 -7.833 1.00 55.24 H new ATOM 0 HA ALA A 25 0.523 -9.023 -5.101 1.00 53.21 H new ATOM 0 HB1 ALA A 25 -0.779 -11.047 -4.528 1.00 65.14 H new ATOM 0 HB2 ALA A 25 -1.642 -10.014 -5.693 1.00 65.14 H new ATOM 0 HB3 ALA A 25 -0.826 -11.495 -6.250 1.00 65.14 H new ATOM 356 N TYR A 26 2.882 -10.273 -5.972 1.00 4.14 N ATOM 357 CA TYR A 26 4.127 -11.008 -5.778 1.00 51.34 C ATOM 358 C TYR A 26 5.328 -10.164 -6.193 1.00 41.35 C ATOM 359 O TYR A 26 5.212 -9.263 -7.025 1.00 74.12 O ATOM 360 CB TYR A 26 4.104 -12.311 -6.579 1.00 51.32 C ATOM 361 CG TYR A 26 4.794 -13.462 -5.883 1.00 4.30 C ATOM 362 CD1 TYR A 26 4.547 -13.738 -4.544 1.00 32.30 C ATOM 363 CD2 TYR A 26 5.695 -14.272 -6.563 1.00 51.35 C ATOM 364 CE1 TYR A 26 5.176 -14.788 -3.903 1.00 72.33 C ATOM 365 CE2 TYR A 26 6.327 -15.325 -5.931 1.00 43.34 C ATOM 366 CZ TYR A 26 6.065 -15.579 -4.601 1.00 53.14 C ATOM 367 OH TYR A 26 6.694 -16.626 -3.968 1.00 12.02 O ATOM 0 H TYR A 26 2.986 -9.394 -6.479 1.00 4.14 H new ATOM 0 HA TYR A 26 4.220 -11.242 -4.718 1.00 51.34 H new ATOM 0 HB2 TYR A 26 3.069 -12.586 -6.779 1.00 51.32 H new ATOM 0 HB3 TYR A 26 4.581 -12.143 -7.544 1.00 51.32 H new ATOM 0 HD1 TYR A 26 3.851 -13.121 -3.995 1.00 32.30 H new ATOM 0 HD2 TYR A 26 5.905 -14.075 -7.604 1.00 51.35 H new ATOM 0 HE1 TYR A 26 4.973 -14.988 -2.861 1.00 72.33 H new ATOM 0 HE2 TYR A 26 7.023 -15.946 -6.475 1.00 43.34 H new ATOM 0 HH TYR A 26 7.287 -17.083 -4.601 1.00 12.02 H new ATOM 377 N CYS A 27 6.483 -10.462 -5.608 1.00 61.13 N ATOM 378 CA CYS A 27 7.707 -9.733 -5.915 1.00 45.25 C ATOM 379 C CYS A 27 8.699 -10.624 -6.658 1.00 4.40 C ATOM 380 O CYS A 27 8.886 -11.789 -6.308 1.00 13.52 O ATOM 381 CB CYS A 27 8.345 -9.201 -4.630 1.00 64.34 C ATOM 382 SG CYS A 27 7.150 -8.541 -3.425 1.00 51.30 S ATOM 0 H CYS A 27 6.597 -11.204 -4.918 1.00 61.13 H new ATOM 0 HA CYS A 27 7.448 -8.892 -6.559 1.00 45.25 H new ATOM 0 HB2 CYS A 27 8.913 -10.004 -4.160 1.00 64.34 H new ATOM 0 HB3 CYS A 27 9.056 -8.416 -4.888 1.00 64.34 H new ATOM 387 N MET A 28 9.333 -10.066 -7.685 1.00 30.33 N ATOM 388 CA MET A 28 10.307 -10.809 -8.476 1.00 31.52 C ATOM 389 C MET A 28 11.671 -10.128 -8.439 1.00 1.12 C ATOM 390 O MET A 28 11.769 -8.904 -8.539 1.00 33.34 O ATOM 391 CB MET A 28 9.828 -10.940 -9.923 1.00 11.41 C ATOM 392 CG MET A 28 10.857 -11.566 -10.850 1.00 20.03 C ATOM 393 SD MET A 28 10.720 -10.968 -12.545 1.00 41.22 S ATOM 394 CE MET A 28 11.772 -12.137 -13.403 1.00 34.13 C ATOM 0 H MET A 28 9.190 -9.103 -7.988 1.00 30.33 H new ATOM 0 HA MET A 28 10.406 -11.804 -8.043 1.00 31.52 H new ATOM 0 HB2 MET A 28 8.919 -11.542 -9.943 1.00 11.41 H new ATOM 0 HB3 MET A 28 9.564 -9.952 -10.301 1.00 11.41 H new ATOM 0 HG2 MET A 28 11.857 -11.352 -10.473 1.00 20.03 H new ATOM 0 HG3 MET A 28 10.737 -12.649 -10.840 1.00 20.03 H new ATOM 0 HE1 MET A 28 12.329 -11.620 -14.184 1.00 34.13 H new ATOM 0 HE2 MET A 28 12.470 -12.585 -12.696 1.00 34.13 H new ATOM 0 HE3 MET A 28 11.158 -12.918 -13.852 1.00 34.13 H new ATOM 404 N THR A 29 12.724 -10.927 -8.294 1.00 74.34 N ATOM 405 CA THR A 29 14.082 -10.401 -8.243 1.00 34.02 C ATOM 406 C THR A 29 15.054 -11.316 -8.978 1.00 42.02 C ATOM 407 O THR A 29 15.303 -12.445 -8.554 1.00 2.02 O ATOM 408 CB THR A 29 14.560 -10.224 -6.790 1.00 5.44 C ATOM 409 OG1 THR A 29 13.791 -9.204 -6.141 1.00 64.43 O ATOM 410 CG2 THR A 29 16.036 -9.857 -6.747 1.00 42.40 C ATOM 0 H THR A 29 12.662 -11.942 -8.210 1.00 74.34 H new ATOM 0 HA THR A 29 14.063 -9.428 -8.733 1.00 34.02 H new ATOM 0 HB THR A 29 14.421 -11.171 -6.268 1.00 5.44 H new ATOM 0 HG1 THR A 29 12.930 -9.575 -5.855 1.00 64.43 H new ATOM 0 HG21 THR A 29 16.351 -9.737 -5.710 1.00 42.40 H new ATOM 0 HG22 THR A 29 16.621 -10.648 -7.215 1.00 42.40 H new ATOM 0 HG23 THR A 29 16.194 -8.922 -7.285 1.00 42.40 H new ATOM 418 N THR A 30 15.603 -10.822 -10.084 1.00 22.32 N ATOM 419 CA THR A 30 16.549 -11.596 -10.879 1.00 13.23 C ATOM 420 C THR A 30 17.981 -11.139 -10.627 1.00 61.23 C ATOM 421 O THR A 30 18.442 -10.160 -11.213 1.00 43.44 O ATOM 422 CB THR A 30 16.242 -11.482 -12.384 1.00 3.30 C ATOM 423 OG1 THR A 30 14.828 -11.531 -12.601 1.00 53.21 O ATOM 424 CG2 THR A 30 16.919 -12.602 -13.160 1.00 52.52 C ATOM 0 H THR A 30 15.409 -9.890 -10.449 1.00 22.32 H new ATOM 0 HA THR A 30 16.444 -12.637 -10.572 1.00 13.23 H new ATOM 0 HB THR A 30 16.630 -10.528 -12.741 1.00 3.30 H new ATOM 0 HG1 THR A 30 14.633 -11.313 -13.536 1.00 53.21 H new ATOM 0 HG21 THR A 30 16.688 -12.501 -14.220 1.00 52.52 H new ATOM 0 HG22 THR A 30 17.998 -12.544 -13.016 1.00 52.52 H new ATOM 0 HG23 THR A 30 16.557 -13.565 -12.800 1.00 52.52 H new ATOM 432 N ARG A 31 18.681 -11.855 -9.753 1.00 73.21 N ATOM 433 CA ARG A 31 20.062 -11.523 -9.424 1.00 55.41 C ATOM 434 C ARG A 31 21.034 -12.349 -10.261 1.00 11.31 C ATOM 435 O ARG A 31 21.353 -13.488 -9.919 1.00 34.04 O ATOM 436 CB ARG A 31 20.325 -11.759 -7.936 1.00 13.32 C ATOM 437 CG ARG A 31 19.779 -13.081 -7.423 1.00 72.31 C ATOM 438 CD ARG A 31 20.316 -13.407 -6.038 1.00 42.52 C ATOM 439 NE ARG A 31 20.066 -12.327 -5.087 1.00 23.12 N ATOM 440 CZ ARG A 31 20.296 -12.429 -3.782 1.00 71.34 C ATOM 441 NH1 ARG A 31 20.778 -13.556 -3.277 1.00 64.22 N ATOM 442 NH2 ARG A 31 20.043 -11.403 -2.981 1.00 1.24 N ATOM 0 H ARG A 31 18.314 -12.669 -9.260 1.00 73.21 H new ATOM 0 HA ARG A 31 20.220 -10.469 -9.651 1.00 55.41 H new ATOM 0 HB2 ARG A 31 21.399 -11.725 -7.756 1.00 13.32 H new ATOM 0 HB3 ARG A 31 19.880 -10.945 -7.364 1.00 13.32 H new ATOM 0 HG2 ARG A 31 18.690 -13.038 -7.391 1.00 72.31 H new ATOM 0 HG3 ARG A 31 20.047 -13.879 -8.115 1.00 72.31 H new ATOM 0 HD2 ARG A 31 19.852 -14.324 -5.676 1.00 42.52 H new ATOM 0 HD3 ARG A 31 21.388 -13.595 -6.100 1.00 42.52 H new ATOM 0 HE ARG A 31 19.695 -11.447 -5.444 1.00 23.12 H new ATOM 0 HH11 ARG A 31 20.973 -14.347 -3.890 1.00 64.22 H new ATOM 0 HH12 ARG A 31 20.954 -13.632 -2.275 1.00 64.22 H new ATOM 0 HH21 ARG A 31 19.672 -10.535 -3.366 1.00 1.24 H new ATOM 0 HH22 ARG A 31 20.220 -11.482 -1.980 1.00 1.24 H new ATOM 456 N THR A 32 21.503 -11.767 -11.361 1.00 34.03 N ATOM 457 CA THR A 32 22.437 -12.449 -12.247 1.00 72.03 C ATOM 458 C THR A 32 23.877 -12.063 -11.931 1.00 0.32 C ATOM 459 O THR A 32 24.200 -10.881 -11.805 1.00 73.13 O ATOM 460 CB THR A 32 22.144 -12.129 -13.725 1.00 43.33 C ATOM 461 OG1 THR A 32 20.803 -12.510 -14.053 1.00 45.31 O ATOM 462 CG2 THR A 32 23.121 -12.853 -14.640 1.00 33.45 C ATOM 0 H THR A 32 21.251 -10.825 -11.659 1.00 34.03 H new ATOM 0 HA THR A 32 22.306 -13.518 -12.081 1.00 72.03 H new ATOM 0 HB THR A 32 22.262 -11.055 -13.871 1.00 43.33 H new ATOM 0 HG1 THR A 32 20.771 -13.473 -14.230 1.00 45.31 H new ATOM 0 HG21 THR A 32 22.894 -12.612 -15.678 1.00 33.45 H new ATOM 0 HG22 THR A 32 24.138 -12.538 -14.408 1.00 33.45 H new ATOM 0 HG23 THR A 32 23.031 -13.929 -14.490 1.00 33.45 H new ATOM 470 N TYR A 33 24.739 -13.065 -11.803 1.00 61.24 N ATOM 471 CA TYR A 33 26.146 -12.830 -11.500 1.00 14.23 C ATOM 472 C TYR A 33 27.045 -13.686 -12.386 1.00 20.44 C ATOM 473 O TYR A 33 27.104 -14.907 -12.235 1.00 12.14 O ATOM 474 CB TYR A 33 26.428 -13.129 -10.026 1.00 71.14 C ATOM 475 CG TYR A 33 25.808 -14.420 -9.541 1.00 52.11 C ATOM 476 CD1 TYR A 33 24.477 -14.469 -9.145 1.00 41.30 C ATOM 477 CD2 TYR A 33 26.553 -15.591 -9.480 1.00 31.13 C ATOM 478 CE1 TYR A 33 23.907 -15.646 -8.700 1.00 51.43 C ATOM 479 CE2 TYR A 33 25.991 -16.773 -9.038 1.00 34.13 C ATOM 480 CZ TYR A 33 24.668 -16.795 -8.649 1.00 35.14 C ATOM 481 OH TYR A 33 24.103 -17.970 -8.208 1.00 12.15 O ATOM 0 H TYR A 33 24.488 -14.048 -11.904 1.00 61.24 H new ATOM 0 HA TYR A 33 26.364 -11.781 -11.700 1.00 14.23 H new ATOM 0 HB2 TYR A 33 27.506 -13.173 -9.873 1.00 71.14 H new ATOM 0 HB3 TYR A 33 26.053 -12.305 -9.419 1.00 71.14 H new ATOM 0 HD1 TYR A 33 23.878 -13.571 -9.186 1.00 41.30 H new ATOM 0 HD2 TYR A 33 27.589 -15.577 -9.783 1.00 31.13 H new ATOM 0 HE1 TYR A 33 22.872 -15.666 -8.394 1.00 51.43 H new ATOM 0 HE2 TYR A 33 26.584 -17.675 -8.997 1.00 34.13 H new ATOM 0 HH TYR A 33 24.385 -18.707 -8.789 1.00 12.15 H new ATOM 491 N TYR A 34 27.745 -13.038 -13.310 1.00 14.43 N ATOM 492 CA TYR A 34 28.640 -13.738 -14.222 1.00 65.41 C ATOM 493 C TYR A 34 30.041 -13.856 -13.628 1.00 34.04 C ATOM 494 O TYR A 34 30.616 -14.943 -13.573 1.00 21.45 O ATOM 495 CB TYR A 34 28.704 -13.011 -15.566 1.00 65.12 C ATOM 496 CG TYR A 34 27.346 -12.651 -16.125 1.00 65.44 C ATOM 497 CD1 TYR A 34 26.446 -13.639 -16.506 1.00 23.33 C ATOM 498 CD2 TYR A 34 26.964 -11.324 -16.274 1.00 72.13 C ATOM 499 CE1 TYR A 34 25.205 -13.316 -17.018 1.00 13.53 C ATOM 500 CE2 TYR A 34 25.724 -10.991 -16.784 1.00 32.11 C ATOM 501 CZ TYR A 34 24.848 -11.990 -17.154 1.00 71.24 C ATOM 502 OH TYR A 34 23.612 -11.663 -17.664 1.00 3.42 O ATOM 0 H TYR A 34 27.710 -12.028 -13.447 1.00 14.43 H new ATOM 0 HA TYR A 34 28.245 -14.742 -14.378 1.00 65.41 H new ATOM 0 HB2 TYR A 34 29.293 -12.101 -15.450 1.00 65.12 H new ATOM 0 HB3 TYR A 34 29.229 -13.640 -16.285 1.00 65.12 H new ATOM 0 HD1 TYR A 34 26.722 -14.678 -16.400 1.00 23.33 H new ATOM 0 HD2 TYR A 34 27.648 -10.539 -15.986 1.00 72.13 H new ATOM 0 HE1 TYR A 34 24.518 -14.096 -17.310 1.00 13.53 H new ATOM 0 HE2 TYR A 34 25.442 -9.954 -16.892 1.00 32.11 H new ATOM 0 HH TYR A 34 23.518 -10.688 -17.693 1.00 3.42 H new ATOM 512 N THR A 35 30.584 -12.727 -13.182 1.00 62.43 N ATOM 513 CA THR A 35 31.916 -12.702 -12.592 1.00 44.30 C ATOM 514 C THR A 35 31.938 -11.861 -11.320 1.00 63.25 C ATOM 515 O THR A 35 31.039 -11.061 -11.061 1.00 22.11 O ATOM 516 CB THR A 35 32.958 -12.144 -13.580 1.00 61.14 C ATOM 517 OG1 THR A 35 33.104 -10.732 -13.393 1.00 25.00 O ATOM 518 CG2 THR A 35 32.548 -12.430 -15.017 1.00 63.31 C ATOM 0 H THR A 35 30.121 -11.819 -13.218 1.00 62.43 H new ATOM 0 HA THR A 35 32.173 -13.733 -12.348 1.00 44.30 H new ATOM 0 HB THR A 35 33.911 -12.636 -13.385 1.00 61.14 H new ATOM 0 HG1 THR A 35 34.056 -10.508 -13.324 1.00 25.00 H new ATOM 0 HG21 THR A 35 33.299 -12.027 -15.697 1.00 63.31 H new ATOM 0 HG22 THR A 35 32.466 -13.507 -15.165 1.00 63.31 H new ATOM 0 HG23 THR A 35 31.585 -11.962 -15.221 1.00 63.31 H new ATOM 526 N PRO A 36 32.989 -12.044 -10.507 1.00 62.03 N ATOM 527 CA PRO A 36 33.154 -11.310 -9.249 1.00 52.12 C ATOM 528 C PRO A 36 33.461 -9.834 -9.475 1.00 41.44 C ATOM 529 O PRO A 36 33.595 -9.063 -8.524 1.00 74.10 O ATOM 530 CB PRO A 36 34.343 -12.008 -8.584 1.00 52.22 C ATOM 531 CG PRO A 36 35.114 -12.600 -9.713 1.00 21.01 C ATOM 532 CD PRO A 36 34.098 -12.981 -10.754 1.00 21.12 C ATOM 0 HA PRO A 36 32.245 -11.322 -8.648 1.00 52.12 H new ATOM 0 HB2 PRO A 36 34.950 -11.302 -8.017 1.00 52.22 H new ATOM 0 HB3 PRO A 36 34.011 -12.776 -7.885 1.00 52.22 H new ATOM 0 HG2 PRO A 36 35.832 -11.884 -10.113 1.00 21.01 H new ATOM 0 HG3 PRO A 36 35.681 -13.471 -9.384 1.00 21.01 H new ATOM 0 HD2 PRO A 36 34.497 -12.875 -11.763 1.00 21.12 H new ATOM 0 HD3 PRO A 36 33.780 -14.018 -10.645 1.00 21.12 H new ATOM 540 N THR A 37 33.572 -9.444 -10.742 1.00 11.03 N ATOM 541 CA THR A 37 33.864 -8.060 -11.093 1.00 21.02 C ATOM 542 C THR A 37 32.777 -7.479 -11.990 1.00 21.12 C ATOM 543 O THR A 37 32.811 -6.298 -12.337 1.00 33.34 O ATOM 544 CB THR A 37 35.223 -7.937 -11.807 1.00 3.40 C ATOM 545 OG1 THR A 37 35.338 -8.942 -12.820 1.00 34.21 O ATOM 546 CG2 THR A 37 36.370 -8.075 -10.816 1.00 54.34 C ATOM 0 H THR A 37 33.464 -10.068 -11.542 1.00 11.03 H new ATOM 0 HA THR A 37 33.900 -7.498 -10.160 1.00 21.02 H new ATOM 0 HB THR A 37 35.278 -6.950 -12.267 1.00 3.40 H new ATOM 0 HG1 THR A 37 36.204 -8.855 -13.270 1.00 34.21 H new ATOM 0 HG21 THR A 37 37.320 -7.985 -11.344 1.00 54.34 H new ATOM 0 HG22 THR A 37 36.297 -7.290 -10.063 1.00 54.34 H new ATOM 0 HG23 THR A 37 36.316 -9.049 -10.330 1.00 54.34 H new ATOM 554 N ARG A 38 31.814 -8.316 -12.362 1.00 14.54 N ATOM 555 CA ARG A 38 30.716 -7.884 -13.219 1.00 62.21 C ATOM 556 C ARG A 38 29.430 -8.628 -12.871 1.00 52.51 C ATOM 557 O ARG A 38 29.337 -9.842 -13.044 1.00 25.51 O ATOM 558 CB ARG A 38 31.069 -8.114 -14.690 1.00 21.53 C ATOM 559 CG ARG A 38 31.723 -6.914 -15.354 1.00 70.13 C ATOM 560 CD ARG A 38 30.686 -5.970 -15.942 1.00 43.35 C ATOM 561 NE ARG A 38 31.301 -4.905 -16.731 1.00 12.22 N ATOM 562 CZ ARG A 38 31.896 -3.844 -16.196 1.00 71.40 C ATOM 563 NH1 ARG A 38 31.957 -3.708 -14.879 1.00 31.54 N ATOM 564 NH2 ARG A 38 32.432 -2.918 -16.980 1.00 1.54 N ATOM 0 H ARG A 38 31.772 -9.296 -12.084 1.00 14.54 H new ATOM 0 HA ARG A 38 30.555 -6.819 -13.053 1.00 62.21 H new ATOM 0 HB2 ARG A 38 31.740 -8.970 -14.764 1.00 21.53 H new ATOM 0 HB3 ARG A 38 30.162 -8.371 -15.237 1.00 21.53 H new ATOM 0 HG2 ARG A 38 32.331 -6.379 -14.624 1.00 70.13 H new ATOM 0 HG3 ARG A 38 32.395 -7.254 -16.142 1.00 70.13 H new ATOM 0 HD2 ARG A 38 29.996 -6.534 -16.570 1.00 43.35 H new ATOM 0 HD3 ARG A 38 30.097 -5.531 -15.137 1.00 43.35 H new ATOM 0 HE ARG A 38 31.272 -4.980 -17.748 1.00 12.22 H new ATOM 0 HH11 ARG A 38 31.547 -4.419 -14.273 1.00 31.54 H new ATOM 0 HH12 ARG A 38 32.414 -2.893 -14.471 1.00 31.54 H new ATOM 0 HH21 ARG A 38 32.388 -3.020 -17.994 1.00 1.54 H new ATOM 0 HH22 ARG A 38 32.889 -2.104 -16.569 1.00 1.54 H new ATOM 578 N MET A 39 28.440 -7.889 -12.380 1.00 22.02 N ATOM 579 CA MET A 39 27.159 -8.478 -12.008 1.00 61.52 C ATOM 580 C MET A 39 26.014 -7.511 -12.288 1.00 52.40 C ATOM 581 O MET A 39 26.237 -6.333 -12.569 1.00 40.13 O ATOM 582 CB MET A 39 27.163 -8.869 -10.529 1.00 12.41 C ATOM 583 CG MET A 39 27.380 -7.692 -9.591 1.00 23.41 C ATOM 584 SD MET A 39 29.123 -7.404 -9.231 1.00 44.01 S ATOM 585 CE MET A 39 29.313 -5.718 -9.804 1.00 51.42 C ATOM 0 H MET A 39 28.501 -6.882 -12.231 1.00 22.02 H new ATOM 0 HA MET A 39 27.010 -9.373 -12.612 1.00 61.52 H new ATOM 0 HB2 MET A 39 26.214 -9.347 -10.285 1.00 12.41 H new ATOM 0 HB3 MET A 39 27.946 -9.608 -10.359 1.00 12.41 H new ATOM 0 HG2 MET A 39 26.952 -6.794 -10.036 1.00 23.41 H new ATOM 0 HG3 MET A 39 26.845 -7.872 -8.658 1.00 23.41 H new ATOM 0 HE1 MET A 39 30.255 -5.621 -10.344 1.00 51.42 H new ATOM 0 HE2 MET A 39 28.487 -5.464 -10.468 1.00 51.42 H new ATOM 0 HE3 MET A 39 29.313 -5.041 -8.950 1.00 51.42 H new ATOM 595 N LYS A 40 24.787 -8.014 -12.209 1.00 72.34 N ATOM 596 CA LYS A 40 23.606 -7.195 -12.453 1.00 53.11 C ATOM 597 C LYS A 40 22.391 -7.762 -11.726 1.00 54.00 C ATOM 598 O LYS A 40 22.238 -8.978 -11.606 1.00 10.31 O ATOM 599 CB LYS A 40 23.321 -7.108 -13.954 1.00 75.21 C ATOM 600 CG LYS A 40 22.654 -8.351 -14.519 1.00 43.44 C ATOM 601 CD LYS A 40 21.140 -8.235 -14.486 1.00 74.12 C ATOM 602 CE LYS A 40 20.599 -7.627 -15.771 1.00 74.12 C ATOM 603 NZ LYS A 40 20.369 -8.659 -16.820 1.00 24.43 N ATOM 0 H LYS A 40 24.584 -8.987 -11.978 1.00 72.34 H new ATOM 0 HA LYS A 40 23.803 -6.194 -12.069 1.00 53.11 H new ATOM 0 HB2 LYS A 40 22.683 -6.245 -14.145 1.00 75.21 H new ATOM 0 HB3 LYS A 40 24.258 -6.936 -14.484 1.00 75.21 H new ATOM 0 HG2 LYS A 40 22.985 -8.508 -15.545 1.00 43.44 H new ATOM 0 HG3 LYS A 40 22.965 -9.224 -13.946 1.00 43.44 H new ATOM 0 HD2 LYS A 40 20.702 -9.222 -14.337 1.00 74.12 H new ATOM 0 HD3 LYS A 40 20.840 -7.621 -13.637 1.00 74.12 H new ATOM 0 HE2 LYS A 40 19.664 -7.108 -15.561 1.00 74.12 H new ATOM 0 HE3 LYS A 40 21.301 -6.881 -16.143 1.00 74.12 H new ATOM 0 HZ1 LYS A 40 20.000 -8.204 -17.680 1.00 24.43 H new ATOM 0 HZ2 LYS A 40 21.266 -9.137 -17.039 1.00 24.43 H new ATOM 0 HZ3 LYS A 40 19.680 -9.357 -16.475 1.00 24.43 H new ATOM 617 N VAL A 41 21.527 -6.874 -11.244 1.00 3.34 N ATOM 618 CA VAL A 41 20.324 -7.286 -10.531 1.00 22.03 C ATOM 619 C VAL A 41 19.106 -6.506 -11.012 1.00 32.02 C ATOM 620 O VAL A 41 19.223 -5.365 -11.458 1.00 0.44 O ATOM 621 CB VAL A 41 20.478 -7.091 -9.011 1.00 13.34 C ATOM 622 CG1 VAL A 41 20.649 -5.617 -8.676 1.00 50.22 C ATOM 623 CG2 VAL A 41 19.282 -7.677 -8.275 1.00 63.41 C ATOM 0 H VAL A 41 21.638 -5.864 -11.335 1.00 3.34 H new ATOM 0 HA VAL A 41 20.179 -8.346 -10.741 1.00 22.03 H new ATOM 0 HB VAL A 41 21.373 -7.620 -8.684 1.00 13.34 H new ATOM 0 HG11 VAL A 41 20.756 -5.499 -7.598 1.00 50.22 H new ATOM 0 HG12 VAL A 41 21.539 -5.232 -9.174 1.00 50.22 H new ATOM 0 HG13 VAL A 41 19.774 -5.063 -9.016 1.00 50.22 H new ATOM 0 HG21 VAL A 41 19.407 -7.530 -7.202 1.00 63.41 H new ATOM 0 HG22 VAL A 41 18.371 -7.178 -8.605 1.00 63.41 H new ATOM 0 HG23 VAL A 41 19.210 -8.743 -8.489 1.00 63.41 H new ATOM 633 N SER A 42 17.936 -7.130 -10.918 1.00 52.30 N ATOM 634 CA SER A 42 16.695 -6.495 -11.347 1.00 32.31 C ATOM 635 C SER A 42 15.530 -6.924 -10.459 1.00 65.32 C ATOM 636 O SER A 42 15.359 -8.108 -10.168 1.00 24.31 O ATOM 637 CB SER A 42 16.395 -6.846 -12.805 1.00 63.55 C ATOM 638 OG SER A 42 16.823 -8.163 -13.111 1.00 53.53 O ATOM 0 H SER A 42 17.821 -8.074 -10.549 1.00 52.30 H new ATOM 0 HA SER A 42 16.819 -5.416 -11.259 1.00 32.31 H new ATOM 0 HB2 SER A 42 15.325 -6.755 -12.991 1.00 63.55 H new ATOM 0 HB3 SER A 42 16.895 -6.136 -13.464 1.00 63.55 H new ATOM 0 HG SER A 42 16.619 -8.364 -14.048 1.00 53.53 H new ATOM 644 N LYS A 43 14.732 -5.953 -10.032 1.00 15.53 N ATOM 645 CA LYS A 43 13.582 -6.227 -9.178 1.00 54.41 C ATOM 646 C LYS A 43 12.357 -5.448 -9.648 1.00 42.21 C ATOM 647 O LYS A 43 12.466 -4.296 -10.069 1.00 63.31 O ATOM 648 CB LYS A 43 13.902 -5.867 -7.725 1.00 55.25 C ATOM 649 CG LYS A 43 15.241 -6.400 -7.248 1.00 1.23 C ATOM 650 CD LYS A 43 15.770 -5.601 -6.068 1.00 64.33 C ATOM 651 CE LYS A 43 17.081 -6.174 -5.550 1.00 74.41 C ATOM 652 NZ LYS A 43 16.857 -7.219 -4.512 1.00 43.33 N ATOM 0 H LYS A 43 14.860 -4.968 -10.263 1.00 15.53 H new ATOM 0 HA LYS A 43 13.360 -7.292 -9.241 1.00 54.41 H new ATOM 0 HB2 LYS A 43 13.893 -4.782 -7.618 1.00 55.25 H new ATOM 0 HB3 LYS A 43 13.114 -6.258 -7.081 1.00 55.25 H new ATOM 0 HG2 LYS A 43 15.136 -7.447 -6.962 1.00 1.23 H new ATOM 0 HG3 LYS A 43 15.961 -6.363 -8.066 1.00 1.23 H new ATOM 0 HD2 LYS A 43 15.918 -4.563 -6.367 1.00 64.33 H new ATOM 0 HD3 LYS A 43 15.031 -5.600 -5.267 1.00 64.33 H new ATOM 0 HE2 LYS A 43 17.644 -6.601 -6.380 1.00 74.41 H new ATOM 0 HE3 LYS A 43 17.689 -5.371 -5.132 1.00 74.41 H new ATOM 0 HZ1 LYS A 43 17.758 -7.691 -4.294 1.00 43.33 H new ATOM 0 HZ2 LYS A 43 16.481 -6.776 -3.649 1.00 43.33 H new ATOM 0 HZ3 LYS A 43 16.176 -7.920 -4.867 1.00 43.33 H new ATOM 666 N SER A 44 11.192 -6.083 -9.572 1.00 22.12 N ATOM 667 CA SER A 44 9.947 -5.450 -9.992 1.00 24.14 C ATOM 668 C SER A 44 8.741 -6.244 -9.500 1.00 22.42 C ATOM 669 O SER A 44 8.886 -7.325 -8.927 1.00 0.32 O ATOM 670 CB SER A 44 9.903 -5.325 -11.516 1.00 31.02 C ATOM 671 OG SER A 44 10.572 -6.409 -12.136 1.00 64.02 O ATOM 0 H SER A 44 11.084 -7.036 -9.223 1.00 22.12 H new ATOM 0 HA SER A 44 9.908 -4.454 -9.552 1.00 24.14 H new ATOM 0 HB2 SER A 44 8.866 -5.293 -11.852 1.00 31.02 H new ATOM 0 HB3 SER A 44 10.365 -4.386 -11.821 1.00 31.02 H new ATOM 0 HG SER A 44 10.528 -6.307 -13.110 1.00 64.02 H new ATOM 677 N CYS A 45 7.550 -5.701 -9.728 1.00 22.22 N ATOM 678 CA CYS A 45 6.317 -6.357 -9.309 1.00 3.43 C ATOM 679 C CYS A 45 5.742 -7.207 -10.438 1.00 2.12 C ATOM 680 O CYS A 45 5.640 -6.756 -11.579 1.00 31.32 O ATOM 681 CB CYS A 45 5.288 -5.316 -8.864 1.00 34.01 C ATOM 682 SG CYS A 45 5.523 -4.719 -7.159 1.00 12.10 S ATOM 0 H CYS A 45 7.412 -4.808 -10.201 1.00 22.22 H new ATOM 0 HA CYS A 45 6.550 -7.011 -8.469 1.00 3.43 H new ATOM 0 HB2 CYS A 45 5.330 -4.465 -9.544 1.00 34.01 H new ATOM 0 HB3 CYS A 45 4.290 -5.746 -8.953 1.00 34.01 H new ATOM 687 N VAL A 46 5.368 -8.440 -10.111 1.00 13.21 N ATOM 688 CA VAL A 46 4.802 -9.353 -11.096 1.00 74.32 C ATOM 689 C VAL A 46 3.757 -10.265 -10.463 1.00 73.43 C ATOM 690 O VAL A 46 3.790 -10.552 -9.266 1.00 71.14 O ATOM 691 CB VAL A 46 5.894 -10.219 -11.751 1.00 71.43 C ATOM 692 CG1 VAL A 46 6.918 -9.344 -12.457 1.00 51.22 C ATOM 693 CG2 VAL A 46 6.564 -11.106 -10.713 1.00 31.51 C ATOM 0 H VAL A 46 5.447 -8.829 -9.171 1.00 13.21 H new ATOM 0 HA VAL A 46 4.328 -8.739 -11.862 1.00 74.32 H new ATOM 0 HB VAL A 46 5.425 -10.861 -12.496 1.00 71.43 H new ATOM 0 HG11 VAL A 46 7.682 -9.974 -12.914 1.00 51.22 H new ATOM 0 HG12 VAL A 46 6.423 -8.756 -13.230 1.00 51.22 H new ATOM 0 HG13 VAL A 46 7.384 -8.674 -11.734 1.00 51.22 H new ATOM 0 HG21 VAL A 46 7.333 -11.711 -11.193 1.00 31.51 H new ATOM 0 HG22 VAL A 46 7.020 -10.484 -9.943 1.00 31.51 H new ATOM 0 HG23 VAL A 46 5.820 -11.759 -10.258 1.00 31.51 H new ATOM 703 N PRO A 47 2.805 -10.734 -11.284 1.00 63.14 N ATOM 704 CA PRO A 47 1.732 -11.622 -10.827 1.00 63.23 C ATOM 705 C PRO A 47 2.244 -13.013 -10.468 1.00 4.34 C ATOM 706 O PRO A 47 1.880 -13.570 -9.432 1.00 2.20 O ATOM 707 CB PRO A 47 0.793 -11.694 -12.034 1.00 0.11 C ATOM 708 CG PRO A 47 1.662 -11.403 -13.208 1.00 42.13 C ATOM 709 CD PRO A 47 2.704 -10.434 -12.722 1.00 41.44 C ATOM 0 HA PRO A 47 1.255 -11.251 -9.920 1.00 63.23 H new ATOM 0 HB2 PRO A 47 0.331 -12.678 -12.118 1.00 0.11 H new ATOM 0 HB3 PRO A 47 -0.016 -10.968 -11.950 1.00 0.11 H new ATOM 0 HG2 PRO A 47 2.124 -12.315 -13.587 1.00 42.13 H new ATOM 0 HG3 PRO A 47 1.082 -10.975 -14.026 1.00 42.13 H new ATOM 0 HD2 PRO A 47 3.657 -10.580 -13.231 1.00 41.44 H new ATOM 0 HD3 PRO A 47 2.404 -9.401 -12.897 1.00 41.44 H new ATOM 717 N ARG A 48 3.091 -13.568 -11.329 1.00 0.52 N ATOM 718 CA ARG A 48 3.652 -14.894 -11.101 1.00 45.34 C ATOM 719 C ARG A 48 5.152 -14.905 -11.385 1.00 32.14 C ATOM 720 O ARG A 48 5.578 -14.811 -12.536 1.00 72.11 O ATOM 721 CB ARG A 48 2.948 -15.927 -11.983 1.00 3.12 C ATOM 722 CG ARG A 48 1.632 -16.423 -11.407 1.00 52.50 C ATOM 723 CD ARG A 48 1.242 -17.772 -11.989 1.00 23.41 C ATOM 724 NE ARG A 48 2.034 -18.861 -11.423 1.00 34.44 N ATOM 725 CZ ARG A 48 1.845 -19.349 -10.201 1.00 42.24 C ATOM 726 NH1 ARG A 48 0.897 -18.847 -9.423 1.00 12.23 N ATOM 727 NH2 ARG A 48 2.606 -20.341 -9.757 1.00 0.00 N ATOM 0 H ARG A 48 3.404 -13.120 -12.190 1.00 0.52 H new ATOM 0 HA ARG A 48 3.495 -15.153 -10.054 1.00 45.34 H new ATOM 0 HB2 ARG A 48 2.764 -15.489 -12.964 1.00 3.12 H new ATOM 0 HB3 ARG A 48 3.613 -16.778 -12.133 1.00 3.12 H new ATOM 0 HG2 ARG A 48 1.715 -16.504 -10.323 1.00 52.50 H new ATOM 0 HG3 ARG A 48 0.846 -15.696 -11.613 1.00 52.50 H new ATOM 0 HD2 ARG A 48 0.184 -17.956 -11.800 1.00 23.41 H new ATOM 0 HD3 ARG A 48 1.374 -17.752 -13.071 1.00 23.41 H new ATOM 0 HE ARG A 48 2.772 -19.269 -11.997 1.00 34.44 H new ATOM 0 HH11 ARG A 48 0.310 -18.084 -9.761 1.00 12.23 H new ATOM 0 HH12 ARG A 48 0.754 -19.223 -8.486 1.00 12.23 H new ATOM 0 HH21 ARG A 48 3.337 -20.730 -10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.461 -20.715 -8.819 1.00 0.00 H new ATOM 741 N CYS A 49 5.948 -15.020 -10.327 1.00 34.43 N ATOM 742 CA CYS A 49 7.399 -15.043 -10.460 1.00 22.20 C ATOM 743 C CYS A 49 7.896 -16.456 -10.755 1.00 3.55 C ATOM 744 O CYS A 49 7.370 -17.434 -10.223 1.00 43.15 O ATOM 745 CB CYS A 49 8.058 -14.515 -9.184 1.00 52.41 C ATOM 746 SG CYS A 49 9.876 -14.635 -9.181 1.00 55.20 S ATOM 0 H CYS A 49 5.612 -15.099 -9.367 1.00 34.43 H new ATOM 0 HA CYS A 49 7.672 -14.398 -11.295 1.00 22.20 H new ATOM 0 HB2 CYS A 49 7.773 -13.472 -9.046 1.00 52.41 H new ATOM 0 HB3 CYS A 49 7.667 -15.068 -8.330 1.00 52.41 H new ATOM 751 N PHE A 50 8.913 -16.554 -11.604 1.00 42.44 N ATOM 752 CA PHE A 50 9.482 -17.846 -11.971 1.00 15.33 C ATOM 753 C PHE A 50 10.806 -18.081 -11.251 1.00 44.31 C ATOM 754 O PHE A 50 11.811 -17.438 -11.554 1.00 61.43 O ATOM 755 CB PHE A 50 9.689 -17.925 -13.485 1.00 4.55 C ATOM 756 CG PHE A 50 8.441 -17.657 -14.276 1.00 20.02 C ATOM 757 CD1 PHE A 50 7.410 -18.582 -14.301 1.00 55.31 C ATOM 758 CD2 PHE A 50 8.299 -16.481 -14.995 1.00 4.03 C ATOM 759 CE1 PHE A 50 6.259 -18.338 -15.028 1.00 22.51 C ATOM 760 CE2 PHE A 50 7.151 -16.232 -15.723 1.00 24.12 C ATOM 761 CZ PHE A 50 6.131 -17.162 -15.741 1.00 34.55 C ATOM 0 H PHE A 50 9.361 -15.754 -12.051 1.00 42.44 H new ATOM 0 HA PHE A 50 8.781 -18.623 -11.667 1.00 15.33 H new ATOM 0 HB2 PHE A 50 10.455 -17.207 -13.777 1.00 4.55 H new ATOM 0 HB3 PHE A 50 10.066 -18.915 -13.741 1.00 4.55 H new ATOM 0 HD1 PHE A 50 7.506 -19.504 -13.747 1.00 55.31 H new ATOM 0 HD2 PHE A 50 9.095 -15.751 -14.986 1.00 4.03 H new ATOM 0 HE1 PHE A 50 5.461 -19.066 -15.038 1.00 22.51 H new ATOM 0 HE2 PHE A 50 7.052 -15.310 -16.277 1.00 24.12 H new ATOM 0 HZ PHE A 50 5.234 -16.970 -16.312 1.00 34.55 H new ATOM 771 N GLU A 51 10.798 -19.006 -10.296 1.00 45.33 N ATOM 772 CA GLU A 51 11.999 -19.324 -9.533 1.00 20.45 C ATOM 773 C GLU A 51 13.079 -19.913 -10.436 1.00 54.03 C ATOM 774 O GLU A 51 12.827 -20.227 -11.600 1.00 64.23 O ATOM 775 CB GLU A 51 11.669 -20.307 -8.407 1.00 73.55 C ATOM 776 CG GLU A 51 12.479 -20.080 -7.143 1.00 4.13 C ATOM 777 CD GLU A 51 11.799 -19.130 -6.177 1.00 12.15 C ATOM 778 OE1 GLU A 51 10.819 -19.547 -5.524 1.00 25.10 O ATOM 779 OE2 GLU A 51 12.247 -17.968 -6.073 1.00 74.51 O ATOM 0 H GLU A 51 9.975 -19.547 -10.033 1.00 45.33 H new ATOM 0 HA GLU A 51 12.378 -18.398 -9.099 1.00 20.45 H new ATOM 0 HB2 GLU A 51 10.609 -20.229 -8.167 1.00 73.55 H new ATOM 0 HB3 GLU A 51 11.842 -21.323 -8.761 1.00 73.55 H new ATOM 0 HG2 GLU A 51 12.648 -21.036 -6.648 1.00 4.13 H new ATOM 0 HG3 GLU A 51 13.458 -19.682 -7.410 1.00 4.13 H new ATOM 786 N THR A 52 14.283 -20.059 -9.892 1.00 72.22 N ATOM 787 CA THR A 52 15.402 -20.608 -10.648 1.00 55.22 C ATOM 788 C THR A 52 15.237 -22.108 -10.862 1.00 65.12 C ATOM 789 O THR A 52 15.345 -22.895 -9.922 1.00 33.14 O ATOM 790 CB THR A 52 16.742 -20.346 -9.937 1.00 5.22 C ATOM 791 OG1 THR A 52 17.800 -21.030 -10.617 1.00 60.45 O ATOM 792 CG2 THR A 52 16.685 -20.804 -8.488 1.00 31.55 C ATOM 0 H THR A 52 14.508 -19.805 -8.930 1.00 72.22 H new ATOM 0 HA THR A 52 15.408 -20.105 -11.615 1.00 55.22 H new ATOM 0 HB THR A 52 16.933 -19.273 -9.955 1.00 5.22 H new ATOM 0 HG1 THR A 52 17.603 -21.067 -11.576 1.00 60.45 H new ATOM 0 HG21 THR A 52 17.643 -20.608 -8.007 1.00 31.55 H new ATOM 0 HG22 THR A 52 15.899 -20.260 -7.965 1.00 31.55 H new ATOM 0 HG23 THR A 52 16.472 -21.872 -8.452 1.00 31.55 H new ATOM 800 N VAL A 53 14.977 -22.499 -12.106 1.00 4.11 N ATOM 801 CA VAL A 53 14.800 -23.906 -12.444 1.00 24.11 C ATOM 802 C VAL A 53 15.221 -24.183 -13.883 1.00 2.22 C ATOM 803 O VAL A 53 14.928 -23.401 -14.788 1.00 1.04 O ATOM 804 CB VAL A 53 13.337 -24.349 -12.254 1.00 64.12 C ATOM 805 CG1 VAL A 53 13.156 -25.794 -12.693 1.00 72.11 C ATOM 806 CG2 VAL A 53 12.909 -24.165 -10.806 1.00 60.22 C ATOM 0 H VAL A 53 14.884 -21.861 -12.896 1.00 4.11 H new ATOM 0 HA VAL A 53 15.435 -24.477 -11.767 1.00 24.11 H new ATOM 0 HB VAL A 53 12.701 -23.722 -12.879 1.00 64.12 H new ATOM 0 HG11 VAL A 53 12.116 -26.090 -12.552 1.00 72.11 H new ATOM 0 HG12 VAL A 53 13.421 -25.890 -13.746 1.00 72.11 H new ATOM 0 HG13 VAL A 53 13.801 -26.439 -12.096 1.00 72.11 H new ATOM 0 HG21 VAL A 53 11.873 -24.483 -10.690 1.00 60.22 H new ATOM 0 HG22 VAL A 53 13.548 -24.766 -10.159 1.00 60.22 H new ATOM 0 HG23 VAL A 53 12.999 -23.114 -10.531 1.00 60.22 H new ATOM 816 N TYR A 54 15.909 -25.300 -14.087 1.00 64.34 N ATOM 817 CA TYR A 54 16.373 -25.680 -15.417 1.00 32.13 C ATOM 818 C TYR A 54 16.314 -27.193 -15.603 1.00 34.24 C ATOM 819 O TYR A 54 15.983 -27.932 -14.675 1.00 14.53 O ATOM 820 CB TYR A 54 17.801 -25.183 -15.643 1.00 45.21 C ATOM 821 CG TYR A 54 18.024 -23.756 -15.195 1.00 40.12 C ATOM 822 CD1 TYR A 54 17.486 -22.691 -15.907 1.00 74.22 C ATOM 823 CD2 TYR A 54 18.772 -23.473 -14.059 1.00 41.50 C ATOM 824 CE1 TYR A 54 17.687 -21.386 -15.502 1.00 22.11 C ATOM 825 CE2 TYR A 54 18.978 -22.170 -13.645 1.00 74.55 C ATOM 826 CZ TYR A 54 18.434 -21.131 -14.370 1.00 54.25 C ATOM 827 OH TYR A 54 18.635 -19.832 -13.963 1.00 25.23 O ATOM 0 H TYR A 54 16.158 -25.959 -13.349 1.00 64.34 H new ATOM 0 HA TYR A 54 15.713 -25.216 -16.150 1.00 32.13 H new ATOM 0 HB2 TYR A 54 18.492 -25.835 -15.109 1.00 45.21 H new ATOM 0 HB3 TYR A 54 18.041 -25.264 -16.703 1.00 45.21 H new ATOM 0 HD1 TYR A 54 16.900 -22.887 -16.793 1.00 74.22 H new ATOM 0 HD2 TYR A 54 19.200 -24.285 -13.489 1.00 41.50 H new ATOM 0 HE1 TYR A 54 17.262 -20.570 -16.068 1.00 22.11 H new ATOM 0 HE2 TYR A 54 19.561 -21.967 -12.759 1.00 74.55 H new ATOM 0 HH TYR A 54 19.112 -19.828 -13.107 1.00 25.23 H new ATOM 837 N ASP A 55 16.637 -27.647 -16.808 1.00 65.42 N ATOM 838 CA ASP A 55 16.624 -29.073 -17.117 1.00 55.55 C ATOM 839 C ASP A 55 17.702 -29.417 -18.140 1.00 31.20 C ATOM 840 O ASP A 55 17.506 -30.277 -18.998 1.00 21.02 O ATOM 841 CB ASP A 55 15.250 -29.488 -17.647 1.00 11.23 C ATOM 842 CG ASP A 55 14.755 -28.575 -18.752 1.00 21.24 C ATOM 843 OD1 ASP A 55 15.281 -28.671 -19.881 1.00 15.13 O ATOM 844 OD2 ASP A 55 13.842 -27.766 -18.487 1.00 53.15 O ATOM 0 H ASP A 55 16.911 -27.049 -17.588 1.00 65.42 H new ATOM 0 HA ASP A 55 16.832 -29.621 -16.198 1.00 55.55 H new ATOM 0 HB2 ASP A 55 15.302 -30.511 -18.021 1.00 11.23 H new ATOM 0 HB3 ASP A 55 14.531 -29.484 -16.827 1.00 11.23 H new ATOM 849 N GLY A 56 18.841 -28.739 -18.043 1.00 3.23 N ATOM 850 CA GLY A 56 19.933 -28.987 -18.966 1.00 3.42 C ATOM 851 C GLY A 56 21.064 -29.769 -18.329 1.00 65.40 C ATOM 852 O GLY A 56 21.166 -30.983 -18.507 1.00 72.42 O ATOM 0 H GLY A 56 19.027 -28.022 -17.342 1.00 3.23 H new ATOM 0 HA2 GLY A 56 19.557 -29.536 -19.830 1.00 3.42 H new ATOM 0 HA3 GLY A 56 20.316 -28.036 -19.335 1.00 3.42 H new ATOM 856 N TYR A 57 21.918 -29.074 -17.586 1.00 41.21 N ATOM 857 CA TYR A 57 23.050 -29.711 -16.924 1.00 43.21 C ATOM 858 C TYR A 57 23.352 -29.035 -15.590 1.00 20.00 C ATOM 859 O TYR A 57 23.035 -29.567 -14.526 1.00 61.12 O ATOM 860 CB TYR A 57 24.287 -29.663 -17.824 1.00 34.34 C ATOM 861 CG TYR A 57 24.364 -30.809 -18.807 1.00 62.11 C ATOM 862 CD1 TYR A 57 24.598 -32.108 -18.373 1.00 35.31 C ATOM 863 CD2 TYR A 57 24.205 -30.593 -20.170 1.00 44.32 C ATOM 864 CE1 TYR A 57 24.670 -33.158 -19.268 1.00 30.33 C ATOM 865 CE2 TYR A 57 24.275 -31.637 -21.072 1.00 52.21 C ATOM 866 CZ TYR A 57 24.507 -32.918 -20.616 1.00 44.41 C ATOM 867 OH TYR A 57 24.579 -33.960 -21.511 1.00 73.14 O ATOM 0 H TYR A 57 21.848 -28.069 -17.427 1.00 41.21 H new ATOM 0 HA TYR A 57 22.788 -30.752 -16.732 1.00 43.21 H new ATOM 0 HB2 TYR A 57 24.289 -28.722 -18.374 1.00 34.34 H new ATOM 0 HB3 TYR A 57 25.181 -29.670 -17.200 1.00 34.34 H new ATOM 0 HD1 TYR A 57 24.726 -32.300 -17.318 1.00 35.31 H new ATOM 0 HD2 TYR A 57 24.023 -29.591 -20.531 1.00 44.32 H new ATOM 0 HE1 TYR A 57 24.853 -34.162 -18.914 1.00 30.33 H new ATOM 0 HE2 TYR A 57 24.149 -31.451 -22.128 1.00 52.21 H new ATOM 0 HH TYR A 57 24.441 -33.621 -22.420 1.00 73.14 H new ATOM 877 N SER A 58 23.966 -27.858 -15.656 1.00 24.12 N ATOM 878 CA SER A 58 24.315 -27.109 -14.454 1.00 35.31 C ATOM 879 C SER A 58 24.623 -25.654 -14.791 1.00 51.31 C ATOM 880 O SER A 58 25.591 -25.358 -15.492 1.00 53.24 O ATOM 881 CB SER A 58 25.518 -27.750 -13.759 1.00 53.21 C ATOM 882 OG SER A 58 25.558 -27.403 -12.386 1.00 11.32 O ATOM 0 H SER A 58 24.232 -27.402 -16.529 1.00 24.12 H new ATOM 0 HA SER A 58 23.459 -27.134 -13.779 1.00 35.31 H new ATOM 0 HB2 SER A 58 25.467 -28.834 -13.862 1.00 53.21 H new ATOM 0 HB3 SER A 58 26.438 -27.427 -14.246 1.00 53.21 H new ATOM 0 HG SER A 58 26.335 -27.826 -11.964 1.00 11.32 H new ATOM 888 N LYS A 59 23.793 -24.747 -14.286 1.00 73.53 N ATOM 889 CA LYS A 59 23.975 -23.322 -14.531 1.00 51.32 C ATOM 890 C LYS A 59 23.425 -22.496 -13.373 1.00 15.03 C ATOM 891 O LYS A 59 22.245 -22.143 -13.354 1.00 72.11 O ATOM 892 CB LYS A 59 23.284 -22.915 -15.835 1.00 1.22 C ATOM 893 CG LYS A 59 21.823 -23.323 -15.902 1.00 72.41 C ATOM 894 CD LYS A 59 21.364 -23.520 -17.337 1.00 41.53 C ATOM 895 CE LYS A 59 21.608 -24.944 -17.811 1.00 20.23 C ATOM 896 NZ LYS A 59 22.998 -25.132 -18.311 1.00 71.13 N ATOM 0 H LYS A 59 22.987 -24.975 -13.704 1.00 73.53 H new ATOM 0 HA LYS A 59 25.044 -23.128 -14.617 1.00 51.32 H new ATOM 0 HB2 LYS A 59 23.356 -21.834 -15.953 1.00 1.22 H new ATOM 0 HB3 LYS A 59 23.817 -23.363 -16.674 1.00 1.22 H new ATOM 0 HG2 LYS A 59 21.676 -24.247 -15.342 1.00 72.41 H new ATOM 0 HG3 LYS A 59 21.209 -22.560 -15.424 1.00 72.41 H new ATOM 0 HD2 LYS A 59 20.302 -23.286 -17.416 1.00 41.53 H new ATOM 0 HD3 LYS A 59 21.893 -22.823 -17.988 1.00 41.53 H new ATOM 0 HE2 LYS A 59 21.420 -25.637 -16.991 1.00 20.23 H new ATOM 0 HE3 LYS A 59 20.901 -25.189 -18.603 1.00 20.23 H new ATOM 0 HZ1 LYS A 59 23.020 -25.922 -18.988 1.00 71.13 H new ATOM 0 HZ2 LYS A 59 23.318 -24.262 -18.783 1.00 71.13 H new ATOM 0 HZ3 LYS A 59 23.629 -25.344 -17.512 1.00 71.13 H new ATOM 910 N HIS A 60 24.286 -22.190 -12.408 1.00 45.22 N ATOM 911 CA HIS A 60 23.886 -21.403 -11.247 1.00 24.22 C ATOM 912 C HIS A 60 24.411 -19.974 -11.351 1.00 60.35 C ATOM 913 O HIS A 60 24.681 -19.327 -10.341 1.00 4.33 O ATOM 914 CB HIS A 60 24.399 -22.054 -9.962 1.00 64.41 C ATOM 915 CG HIS A 60 25.891 -22.182 -9.909 1.00 52.14 C ATOM 916 ND1 HIS A 60 26.724 -21.139 -9.564 1.00 14.40 N ATOM 917 CD2 HIS A 60 26.698 -23.239 -10.159 1.00 63.03 C ATOM 918 CE1 HIS A 60 27.979 -21.548 -9.605 1.00 51.13 C ATOM 919 NE2 HIS A 60 27.991 -22.819 -9.963 1.00 60.25 N ATOM 0 H HIS A 60 25.265 -22.475 -12.407 1.00 45.22 H new ATOM 0 HA HIS A 60 22.797 -21.370 -11.220 1.00 24.22 H new ATOM 0 HB2 HIS A 60 24.062 -21.467 -9.108 1.00 64.41 H new ATOM 0 HB3 HIS A 60 23.954 -23.044 -9.863 1.00 64.41 H new ATOM 0 HD1 HIS A 60 26.419 -20.198 -9.316 1.00 14.40 H new ATOM 0 HD2 HIS A 60 26.384 -24.228 -10.457 1.00 63.03 H new ATOM 0 HE1 HIS A 60 28.848 -20.946 -9.383 1.00 51.13 H new ATOM 927 N ALA A 61 24.553 -19.490 -12.581 1.00 10.22 N ATOM 928 CA ALA A 61 25.044 -18.138 -12.817 1.00 51.11 C ATOM 929 C ALA A 61 23.904 -17.126 -12.780 1.00 51.44 C ATOM 930 O ALA A 61 24.097 -15.948 -13.082 1.00 51.11 O ATOM 931 CB ALA A 61 25.773 -18.067 -14.151 1.00 12.43 C ATOM 0 H ALA A 61 24.335 -20.014 -13.429 1.00 10.22 H new ATOM 0 HA ALA A 61 25.743 -17.887 -12.019 1.00 51.11 H new ATOM 0 HB1 ALA A 61 26.134 -17.052 -14.315 1.00 12.43 H new ATOM 0 HB2 ALA A 61 26.618 -18.756 -14.141 1.00 12.43 H new ATOM 0 HB3 ALA A 61 25.090 -18.343 -14.954 1.00 12.43 H new ATOM 937 N SER A 62 22.716 -17.592 -12.410 1.00 31.43 N ATOM 938 CA SER A 62 21.543 -16.728 -12.338 1.00 65.31 C ATOM 939 C SER A 62 20.508 -17.296 -11.372 1.00 22.20 C ATOM 940 O SER A 62 20.065 -18.436 -11.516 1.00 64.35 O ATOM 941 CB SER A 62 20.923 -16.559 -13.726 1.00 42.33 C ATOM 942 OG SER A 62 21.538 -15.495 -14.433 1.00 71.31 O ATOM 0 H SER A 62 22.540 -18.564 -12.155 1.00 31.43 H new ATOM 0 HA SER A 62 21.862 -15.753 -11.969 1.00 65.31 H new ATOM 0 HB2 SER A 62 21.030 -17.485 -14.291 1.00 42.33 H new ATOM 0 HB3 SER A 62 19.855 -16.366 -13.630 1.00 42.33 H new ATOM 0 HG SER A 62 21.125 -15.408 -15.318 1.00 71.31 H new ATOM 948 N THR A 63 20.126 -16.492 -10.385 1.00 34.34 N ATOM 949 CA THR A 63 19.144 -16.913 -9.393 1.00 71.22 C ATOM 950 C THR A 63 18.010 -15.901 -9.278 1.00 3.44 C ATOM 951 O THR A 63 18.242 -14.691 -9.266 1.00 62.12 O ATOM 952 CB THR A 63 19.790 -17.103 -8.008 1.00 63.40 C ATOM 953 OG1 THR A 63 21.157 -17.505 -8.156 1.00 73.21 O ATOM 954 CG2 THR A 63 19.035 -18.145 -7.197 1.00 21.41 C ATOM 0 H THR A 63 20.482 -15.545 -10.251 1.00 34.34 H new ATOM 0 HA THR A 63 18.742 -17.868 -9.732 1.00 71.22 H new ATOM 0 HB THR A 63 19.747 -16.152 -7.478 1.00 63.40 H new ATOM 0 HG1 THR A 63 21.561 -17.622 -7.271 1.00 73.21 H new ATOM 0 HG21 THR A 63 19.510 -18.262 -6.223 1.00 21.41 H new ATOM 0 HG22 THR A 63 18.003 -17.822 -7.061 1.00 21.41 H new ATOM 0 HG23 THR A 63 19.051 -19.098 -7.725 1.00 21.41 H new ATOM 962 N THR A 64 16.782 -16.402 -9.191 1.00 52.42 N ATOM 963 CA THR A 64 15.612 -15.541 -9.077 1.00 15.53 C ATOM 964 C THR A 64 14.922 -15.727 -7.730 1.00 54.52 C ATOM 965 O THR A 64 14.535 -16.838 -7.368 1.00 51.34 O ATOM 966 CB THR A 64 14.598 -15.818 -10.203 1.00 12.22 C ATOM 967 OG1 THR A 64 15.242 -15.717 -11.478 1.00 11.33 O ATOM 968 CG2 THR A 64 13.435 -14.839 -10.137 1.00 61.03 C ATOM 0 H THR A 64 16.572 -17.400 -9.197 1.00 52.42 H new ATOM 0 HA THR A 64 15.966 -14.514 -9.162 1.00 15.53 H new ATOM 0 HB THR A 64 14.210 -16.828 -10.072 1.00 12.22 H new ATOM 0 HG1 THR A 64 14.591 -15.896 -12.188 1.00 11.33 H new ATOM 0 HG21 THR A 64 12.732 -15.054 -10.942 1.00 61.03 H new ATOM 0 HG22 THR A 64 12.929 -14.939 -9.177 1.00 61.03 H new ATOM 0 HG23 THR A 64 13.810 -13.821 -10.245 1.00 61.03 H new ATOM 976 N SER A 65 14.770 -14.632 -6.992 1.00 53.41 N ATOM 977 CA SER A 65 14.128 -14.675 -5.683 1.00 65.11 C ATOM 978 C SER A 65 12.722 -14.088 -5.748 1.00 33.14 C ATOM 979 O SER A 65 12.531 -12.949 -6.173 1.00 54.51 O ATOM 980 CB SER A 65 14.966 -13.911 -4.656 1.00 12.40 C ATOM 981 OG SER A 65 16.288 -14.417 -4.598 1.00 1.34 O ATOM 0 H SER A 65 15.083 -13.704 -7.278 1.00 53.41 H new ATOM 0 HA SER A 65 14.053 -15.718 -5.376 1.00 65.11 H new ATOM 0 HB2 SER A 65 14.990 -12.853 -4.916 1.00 12.40 H new ATOM 0 HB3 SER A 65 14.501 -13.987 -3.673 1.00 12.40 H new ATOM 0 HG SER A 65 16.803 -13.911 -3.936 1.00 1.34 H new ATOM 987 N CYS A 66 11.739 -14.875 -5.322 1.00 1.00 N ATOM 988 CA CYS A 66 10.349 -14.436 -5.331 1.00 10.03 C ATOM 989 C CYS A 66 9.747 -14.506 -3.930 1.00 64.41 C ATOM 990 O CYS A 66 10.129 -15.352 -3.120 1.00 71.03 O ATOM 991 CB CYS A 66 9.527 -15.295 -6.294 1.00 43.53 C ATOM 992 SG CYS A 66 10.456 -15.874 -7.751 1.00 12.42 S ATOM 0 H CYS A 66 11.880 -15.820 -4.966 1.00 1.00 H new ATOM 0 HA CYS A 66 10.324 -13.399 -5.667 1.00 10.03 H new ATOM 0 HB2 CYS A 66 9.142 -16.160 -5.754 1.00 43.53 H new ATOM 0 HB3 CYS A 66 8.664 -14.720 -6.631 1.00 43.53 H new ATOM 997 N CYS A 67 8.805 -13.612 -3.651 1.00 73.35 N ATOM 998 CA CYS A 67 8.150 -13.571 -2.350 1.00 34.52 C ATOM 999 C CYS A 67 6.888 -12.714 -2.402 1.00 63.13 C ATOM 1000 O CYS A 67 6.608 -12.067 -3.411 1.00 2.23 O ATOM 1001 CB CYS A 67 9.108 -13.024 -1.290 1.00 72.01 C ATOM 1002 SG CYS A 67 10.240 -11.736 -1.906 1.00 31.34 S ATOM 0 H CYS A 67 8.478 -12.905 -4.310 1.00 73.35 H new ATOM 0 HA CYS A 67 7.866 -14.589 -2.083 1.00 34.52 H new ATOM 0 HB2 CYS A 67 8.525 -12.616 -0.464 1.00 72.01 H new ATOM 0 HB3 CYS A 67 9.697 -13.848 -0.888 1.00 72.01 H new ATOM 1007 N GLN A 68 6.132 -12.716 -1.309 1.00 5.30 N ATOM 1008 CA GLN A 68 4.901 -11.939 -1.231 1.00 42.50 C ATOM 1009 C GLN A 68 4.901 -11.041 0.002 1.00 21.11 C ATOM 1010 O GLN A 68 3.865 -10.500 0.389 1.00 73.44 O ATOM 1011 CB GLN A 68 3.687 -12.869 -1.200 1.00 3.35 C ATOM 1012 CG GLN A 68 2.370 -12.159 -1.468 1.00 70.13 C ATOM 1013 CD GLN A 68 1.292 -13.100 -1.970 1.00 42.32 C ATOM 1014 OE1 GLN A 68 1.453 -13.752 -3.002 1.00 30.41 O ATOM 1015 NE2 GLN A 68 0.185 -13.174 -1.241 1.00 72.43 N ATOM 0 H GLN A 68 6.350 -13.247 -0.466 1.00 5.30 H new ATOM 0 HA GLN A 68 4.843 -11.307 -2.117 1.00 42.50 H new ATOM 0 HB2 GLN A 68 3.824 -13.656 -1.942 1.00 3.35 H new ATOM 0 HB3 GLN A 68 3.637 -13.355 -0.226 1.00 3.35 H new ATOM 0 HG2 GLN A 68 2.028 -11.677 -0.552 1.00 70.13 H new ATOM 0 HG3 GLN A 68 2.530 -11.370 -2.203 1.00 70.13 H new ATOM 0 HE21 GLN A 68 0.095 -12.615 -0.392 1.00 72.43 H new ATOM 0 HE22 GLN A 68 -0.575 -13.790 -1.529 1.00 72.43 H new ATOM 1024 N TYR A 69 6.069 -10.887 0.616 1.00 61.52 N ATOM 1025 CA TYR A 69 6.203 -10.058 1.807 1.00 2.32 C ATOM 1026 C TYR A 69 6.676 -8.654 1.443 1.00 41.32 C ATOM 1027 O TYR A 69 7.452 -8.472 0.504 1.00 0.25 O ATOM 1028 CB TYR A 69 7.182 -10.698 2.793 1.00 43.04 C ATOM 1029 CG TYR A 69 7.715 -9.735 3.829 1.00 2.40 C ATOM 1030 CD1 TYR A 69 6.865 -9.134 4.750 1.00 62.32 C ATOM 1031 CD2 TYR A 69 9.068 -9.424 3.887 1.00 41.20 C ATOM 1032 CE1 TYR A 69 7.347 -8.253 5.698 1.00 2.11 C ATOM 1033 CE2 TYR A 69 9.559 -8.545 4.833 1.00 42.13 C ATOM 1034 CZ TYR A 69 8.695 -7.962 5.736 1.00 51.21 C ATOM 1035 OH TYR A 69 9.180 -7.085 6.679 1.00 40.44 O ATOM 0 H TYR A 69 6.937 -11.326 0.308 1.00 61.52 H new ATOM 0 HA TYR A 69 5.223 -9.982 2.277 1.00 2.32 H new ATOM 0 HB2 TYR A 69 6.685 -11.525 3.300 1.00 43.04 H new ATOM 0 HB3 TYR A 69 8.019 -11.121 2.238 1.00 43.04 H new ATOM 0 HD1 TYR A 69 5.809 -9.360 4.724 1.00 62.32 H new ATOM 0 HD2 TYR A 69 9.747 -9.877 3.180 1.00 41.20 H new ATOM 0 HE1 TYR A 69 6.672 -7.794 6.406 1.00 2.11 H new ATOM 0 HE2 TYR A 69 10.614 -8.316 4.865 1.00 42.13 H new ATOM 0 HH TYR A 69 10.149 -6.991 6.570 1.00 40.44 H new ATOM 1045 N ASP A 70 6.203 -7.664 2.192 1.00 30.35 N ATOM 1046 CA ASP A 70 6.578 -6.276 1.951 1.00 14.22 C ATOM 1047 C ASP A 70 8.094 -6.109 1.983 1.00 54.43 C ATOM 1048 O ASP A 70 8.760 -6.565 2.912 1.00 21.35 O ATOM 1049 CB ASP A 70 5.930 -5.362 2.992 1.00 35.05 C ATOM 1050 CG ASP A 70 4.441 -5.190 2.765 1.00 54.31 C ATOM 1051 OD1 ASP A 70 4.053 -4.790 1.647 1.00 42.42 O ATOM 1052 OD2 ASP A 70 3.663 -5.456 3.704 1.00 15.25 O ATOM 0 H ASP A 70 5.559 -7.797 2.972 1.00 30.35 H new ATOM 0 HA ASP A 70 6.220 -5.996 0.960 1.00 14.22 H new ATOM 0 HB2 ASP A 70 6.098 -5.774 3.987 1.00 35.05 H new ATOM 0 HB3 ASP A 70 6.414 -4.386 2.965 1.00 35.05 H new ATOM 1057 N LEU A 71 8.633 -5.452 0.961 1.00 34.51 N ATOM 1058 CA LEU A 71 10.071 -5.226 0.871 1.00 52.52 C ATOM 1059 C LEU A 71 10.843 -6.515 1.130 1.00 71.21 C ATOM 1060 O LEU A 71 11.944 -6.492 1.681 1.00 61.35 O ATOM 1061 CB LEU A 71 10.501 -4.150 1.870 1.00 22.52 C ATOM 1062 CG LEU A 71 9.692 -2.853 1.850 1.00 3.01 C ATOM 1063 CD1 LEU A 71 10.342 -1.805 2.741 1.00 35.42 C ATOM 1064 CD2 LEU A 71 9.553 -2.333 0.427 1.00 65.13 C ATOM 0 H LEU A 71 8.096 -5.067 0.184 1.00 34.51 H new ATOM 0 HA LEU A 71 10.298 -4.887 -0.140 1.00 52.52 H new ATOM 0 HB2 LEU A 71 10.448 -4.572 2.873 1.00 22.52 H new ATOM 0 HB3 LEU A 71 11.546 -3.905 1.682 1.00 22.52 H new ATOM 0 HG LEU A 71 8.695 -3.063 2.238 1.00 3.01 H new ATOM 0 HD11 LEU A 71 9.752 -0.889 2.714 1.00 35.42 H new ATOM 0 HD12 LEU A 71 10.389 -2.176 3.765 1.00 35.42 H new ATOM 0 HD13 LEU A 71 11.351 -1.598 2.383 1.00 35.42 H new ATOM 0 HD21 LEU A 71 8.974 -1.409 0.432 1.00 65.13 H new ATOM 0 HD22 LEU A 71 10.542 -2.139 0.012 1.00 65.13 H new ATOM 0 HD23 LEU A 71 9.043 -3.077 -0.184 1.00 65.13 H new ATOM 1076 N CYS A 72 10.259 -7.639 0.728 1.00 62.15 N ATOM 1077 CA CYS A 72 10.892 -8.939 0.914 1.00 60.21 C ATOM 1078 C CYS A 72 12.158 -9.054 0.069 1.00 33.32 C ATOM 1079 O CYS A 72 13.096 -9.763 0.432 1.00 74.15 O ATOM 1080 CB CYS A 72 9.918 -10.061 0.548 1.00 10.04 C ATOM 1081 SG CYS A 72 9.428 -10.078 -1.206 1.00 62.11 S ATOM 0 H CYS A 72 9.348 -7.675 0.271 1.00 62.15 H new ATOM 0 HA CYS A 72 11.167 -9.034 1.964 1.00 60.21 H new ATOM 0 HB2 CYS A 72 10.375 -11.019 0.796 1.00 10.04 H new ATOM 0 HB3 CYS A 72 9.023 -9.966 1.163 1.00 10.04 H new ATOM 1086 N ASN A 73 12.176 -8.351 -1.059 1.00 35.43 N ATOM 1087 CA ASN A 73 13.325 -8.375 -1.956 1.00 3.44 C ATOM 1088 C ASN A 73 14.292 -7.240 -1.630 1.00 52.24 C ATOM 1089 O ASN A 73 15.019 -6.761 -2.500 1.00 21.43 O ATOM 1090 CB ASN A 73 12.866 -8.267 -3.411 1.00 15.41 C ATOM 1091 CG ASN A 73 12.144 -6.963 -3.694 1.00 34.40 C ATOM 1092 OD1 ASN A 73 11.756 -6.243 -2.774 1.00 33.21 O ATOM 1093 ND2 ASN A 73 11.960 -6.655 -4.972 1.00 50.54 N ATOM 0 H ASN A 73 11.408 -7.758 -1.373 1.00 35.43 H new ATOM 0 HA ASN A 73 13.844 -9.323 -1.816 1.00 3.44 H new ATOM 0 HB2 ASN A 73 13.731 -8.351 -4.069 1.00 15.41 H new ATOM 0 HB3 ASN A 73 12.206 -9.103 -3.644 1.00 15.41 H new ATOM 0 HD21 ASN A 73 11.480 -5.791 -5.224 1.00 50.54 H new ATOM 0 HD22 ASN A 73 12.299 -7.282 -5.702 1.00 50.54 H new ATOM 1100 N GLY A 74 14.294 -6.814 -0.371 1.00 12.22 N ATOM 1101 CA GLY A 74 15.175 -5.739 0.048 1.00 72.15 C ATOM 1102 C GLY A 74 16.570 -6.229 0.380 1.00 30.41 C ATOM 1103 O GLY A 74 16.733 -7.253 1.044 1.00 5.12 O ATOM 0 H GLY A 74 13.701 -7.194 0.367 1.00 12.22 H new ATOM 0 HA2 GLY A 74 15.234 -4.992 -0.744 1.00 72.15 H new ATOM 0 HA3 GLY A 74 14.750 -5.244 0.921 1.00 72.15 H new TER 1107 GLY A 74