USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 893 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 88 THR OG1 : rot 170:sc= 0.03 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.22 X(o=-0.99,f=-1.3) USER MOD Set 1.3: A 91 GLN :FLIP amide:sc= 0.198 F(o=-2.4,f=-0.99) USER MOD Set 2.1: A 25 GLN :FLIP amide:sc= -1.26 F(o=-5.4!,f=-2.5) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.135 K(o=-2.5,f=-3.1) USER MOD Set 2.3: A 37 CYS SG : rot 146:sc= -1.1 USER MOD Set 3.1: A 21 THR OG1 : rot 80:sc= 1.04 USER MOD Set 3.2: A 41 SER OG : rot -109:sc= -0.328 USER MOD Set 4.1: A 16 CYS SG : rot 158:sc= 1.89 USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 20:sc= 0.0866 USER MOD Single : A 2 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.29 USER MOD Single : A 9 CYS SG : rot -10:sc= -1.2 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -170:sc= -0.977 (180deg=-1.2) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.5) USER MOD Single : A 47 CYS SG : rot 74:sc= -1.08 USER MOD Single : A 54 ASN : amide:sc= -0.654 K(o=-0.65,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot -30:sc= 0.973 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.216 (180deg=-0.962) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0428) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.04 F(o=-3.7!,f=-3) USER MOD Single : A 81 ASN : amide:sc= 0.155 K(o=0.15,f=-0.44) USER MOD Single : A 84 CYS SG : rot -27:sc= 0.25 USER MOD Single : A 95 MET CE :methyl 174:sc= 0 (180deg=-0.0373) USER MOD Single : A 96 THR OG1 : rot -160:sc= -0.914 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -173:sc=-0.00916 (180deg=-0.107) USER MOD Single : A 102 SER OG : rot 85:sc= 0.217 USER MOD Single : A 106 LYS NZ :NH3+ -141:sc= 0.61 (180deg=-0.456) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 138:sc= -0.542 (180deg=-1.88!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.576 6.452 17.289 1.00 52.12 N ATOM 2 CA SER A 1 -1.853 7.659 16.462 1.00 51.54 C ATOM 3 C SER A 1 -2.484 7.257 15.107 1.00 73.53 C ATOM 4 O SER A 1 -1.853 6.559 14.311 1.00 50.03 O ATOM 5 CB SER A 1 -0.550 8.470 16.227 1.00 15.35 C ATOM 6 OG SER A 1 -0.803 9.681 15.524 1.00 24.14 O ATOM 0 H1 SER A 1 -1.153 6.741 18.194 1.00 52.12 H new ATOM 0 H2 SER A 1 -2.465 5.943 17.469 1.00 52.12 H new ATOM 0 H3 SER A 1 -0.916 5.828 16.782 1.00 52.12 H new ATOM 0 HA SER A 1 -2.561 8.287 17.002 1.00 51.54 H new ATOM 0 HB2 SER A 1 -0.084 8.697 17.186 1.00 15.35 H new ATOM 0 HB3 SER A 1 0.159 7.864 15.664 1.00 15.35 H new ATOM 0 HG SER A 1 -1.750 9.918 15.610 1.00 24.14 H new ATOM 14 N HIS A 2 -3.739 7.686 14.868 1.00 12.45 N ATOM 15 CA HIS A 2 -4.460 7.477 13.587 1.00 33.22 C ATOM 16 C HIS A 2 -4.971 8.830 13.046 1.00 32.15 C ATOM 17 O HIS A 2 -4.507 9.289 11.995 1.00 2.23 O ATOM 18 CB HIS A 2 -5.655 6.489 13.752 1.00 53.40 C ATOM 19 CG HIS A 2 -5.294 5.034 13.863 1.00 43.30 C ATOM 20 ND1 HIS A 2 -6.129 4.099 14.431 1.00 20.25 N ATOM 21 CD2 HIS A 2 -4.214 4.343 13.423 1.00 0.32 C ATOM 22 CE1 HIS A 2 -5.586 2.909 14.333 1.00 2.32 C ATOM 23 NE2 HIS A 2 -4.425 3.026 13.727 1.00 73.20 N ATOM 0 H HIS A 2 -4.289 8.192 15.562 1.00 12.45 H new ATOM 0 HA HIS A 2 -3.758 7.037 12.878 1.00 33.22 H new ATOM 0 HB2 HIS A 2 -6.216 6.773 14.642 1.00 53.40 H new ATOM 0 HB3 HIS A 2 -6.324 6.613 12.901 1.00 53.40 H new ATOM 0 HD2 HIS A 2 -3.349 4.755 12.925 1.00 0.32 H new ATOM 0 HE1 HIS A 2 -6.020 1.987 14.690 1.00 2.32 H new ATOM 0 HE2 HIS A 2 -3.786 2.259 13.518 1.00 73.20 H new ATOM 32 N MET A 3 -5.918 9.455 13.803 1.00 11.21 N ATOM 33 CA MET A 3 -6.598 10.734 13.432 1.00 73.21 C ATOM 34 C MET A 3 -7.512 10.580 12.173 1.00 13.25 C ATOM 35 O MET A 3 -7.243 9.735 11.316 1.00 24.22 O ATOM 36 CB MET A 3 -5.572 11.906 13.257 1.00 75.02 C ATOM 37 CG MET A 3 -4.970 12.420 14.573 1.00 34.44 C ATOM 38 SD MET A 3 -4.102 11.134 15.499 1.00 34.31 S ATOM 39 CE MET A 3 -3.769 11.983 17.043 1.00 33.11 C ATOM 0 H MET A 3 -6.235 9.082 14.698 1.00 11.21 H new ATOM 0 HA MET A 3 -7.252 10.991 14.265 1.00 73.21 H new ATOM 0 HB2 MET A 3 -4.763 11.571 12.607 1.00 75.02 H new ATOM 0 HB3 MET A 3 -6.067 12.734 12.749 1.00 75.02 H new ATOM 0 HG2 MET A 3 -4.278 13.234 14.357 1.00 34.44 H new ATOM 0 HG3 MET A 3 -5.765 12.833 15.193 1.00 34.44 H new ATOM 0 HE1 MET A 3 -3.236 11.314 17.719 1.00 33.11 H new ATOM 0 HE2 MET A 3 -3.158 12.865 16.849 1.00 33.11 H new ATOM 0 HE3 MET A 3 -4.710 12.287 17.501 1.00 33.11 H new ATOM 49 N PRO A 4 -8.632 11.381 12.059 1.00 64.04 N ATOM 50 CA PRO A 4 -9.535 11.346 10.869 1.00 70.50 C ATOM 51 C PRO A 4 -8.788 11.483 9.514 1.00 33.25 C ATOM 52 O PRO A 4 -7.880 12.317 9.389 1.00 34.12 O ATOM 53 CB PRO A 4 -10.472 12.559 11.105 1.00 12.44 C ATOM 54 CG PRO A 4 -10.517 12.705 12.594 1.00 5.25 C ATOM 55 CD PRO A 4 -9.123 12.352 13.077 1.00 4.45 C ATOM 0 HA PRO A 4 -10.050 10.389 10.787 1.00 70.50 H new ATOM 0 HB2 PRO A 4 -10.085 13.460 10.628 1.00 12.44 H new ATOM 0 HB3 PRO A 4 -11.465 12.381 10.692 1.00 12.44 H new ATOM 0 HG2 PRO A 4 -10.786 13.722 12.881 1.00 5.25 H new ATOM 0 HG3 PRO A 4 -11.264 12.042 13.031 1.00 5.25 H new ATOM 0 HD2 PRO A 4 -8.483 13.233 13.132 1.00 4.45 H new ATOM 0 HD3 PRO A 4 -9.144 11.911 14.074 1.00 4.45 H new ATOM 63 N VAL A 5 -9.181 10.654 8.527 1.00 55.43 N ATOM 64 CA VAL A 5 -8.572 10.626 7.172 1.00 43.53 C ATOM 65 C VAL A 5 -8.543 12.043 6.503 1.00 75.23 C ATOM 66 O VAL A 5 -9.537 12.785 6.587 1.00 70.53 O ATOM 67 CB VAL A 5 -9.330 9.583 6.253 1.00 31.34 C ATOM 68 CG1 VAL A 5 -10.827 9.936 6.099 1.00 51.14 C ATOM 69 CG2 VAL A 5 -8.631 9.393 4.876 1.00 1.41 C ATOM 0 H VAL A 5 -9.936 9.978 8.643 1.00 55.43 H new ATOM 0 HA VAL A 5 -7.535 10.311 7.286 1.00 43.53 H new ATOM 0 HB VAL A 5 -9.279 8.620 6.762 1.00 31.34 H new ATOM 0 HG11 VAL A 5 -11.311 9.196 5.461 1.00 51.14 H new ATOM 0 HG12 VAL A 5 -11.303 9.938 7.079 1.00 51.14 H new ATOM 0 HG13 VAL A 5 -10.923 10.923 5.647 1.00 51.14 H new ATOM 0 HG21 VAL A 5 -9.188 8.669 4.282 1.00 1.41 H new ATOM 0 HG22 VAL A 5 -8.600 10.347 4.349 1.00 1.41 H new ATOM 0 HG23 VAL A 5 -7.615 9.030 5.031 1.00 1.41 H new ATOM 79 N PRO A 6 -7.384 12.471 5.891 1.00 40.40 N ATOM 80 CA PRO A 6 -7.290 13.767 5.156 1.00 42.43 C ATOM 81 C PRO A 6 -8.318 13.890 3.993 1.00 31.11 C ATOM 82 O PRO A 6 -8.747 12.889 3.405 1.00 34.12 O ATOM 83 CB PRO A 6 -5.820 13.790 4.635 1.00 71.42 C ATOM 84 CG PRO A 6 -5.358 12.364 4.706 1.00 14.10 C ATOM 85 CD PRO A 6 -6.068 11.771 5.899 1.00 3.44 C ATOM 0 HA PRO A 6 -7.530 14.614 5.799 1.00 42.43 H new ATOM 0 HB2 PRO A 6 -5.769 14.171 3.615 1.00 71.42 H new ATOM 0 HB3 PRO A 6 -5.194 14.438 5.249 1.00 71.42 H new ATOM 0 HG2 PRO A 6 -5.607 11.824 3.792 1.00 14.10 H new ATOM 0 HG3 PRO A 6 -4.276 12.307 4.825 1.00 14.10 H new ATOM 0 HD2 PRO A 6 -6.185 10.692 5.803 1.00 3.44 H new ATOM 0 HD3 PRO A 6 -5.521 11.951 6.824 1.00 3.44 H new ATOM 93 N VAL A 7 -8.714 15.135 3.693 1.00 63.23 N ATOM 94 CA VAL A 7 -9.714 15.452 2.646 1.00 63.33 C ATOM 95 C VAL A 7 -9.032 15.782 1.297 1.00 20.40 C ATOM 96 O VAL A 7 -7.905 16.302 1.257 1.00 63.33 O ATOM 97 CB VAL A 7 -10.661 16.642 3.080 1.00 20.45 C ATOM 98 CG1 VAL A 7 -11.555 16.237 4.279 1.00 72.12 C ATOM 99 CG2 VAL A 7 -9.856 17.931 3.395 1.00 51.44 C ATOM 0 H VAL A 7 -8.351 15.961 4.169 1.00 63.23 H new ATOM 0 HA VAL A 7 -10.327 14.560 2.517 1.00 63.33 H new ATOM 0 HB VAL A 7 -11.312 16.863 2.234 1.00 20.45 H new ATOM 0 HG11 VAL A 7 -12.195 17.075 4.555 1.00 72.12 H new ATOM 0 HG12 VAL A 7 -12.174 15.384 4.000 1.00 72.12 H new ATOM 0 HG13 VAL A 7 -10.926 15.966 5.127 1.00 72.12 H new ATOM 0 HG21 VAL A 7 -10.542 18.725 3.689 1.00 51.44 H new ATOM 0 HG22 VAL A 7 -9.158 17.734 4.209 1.00 51.44 H new ATOM 0 HG23 VAL A 7 -9.302 18.240 2.508 1.00 51.44 H new ATOM 109 N THR A 8 -9.740 15.476 0.194 1.00 60.02 N ATOM 110 CA THR A 8 -9.216 15.671 -1.177 1.00 33.52 C ATOM 111 C THR A 8 -9.226 17.153 -1.612 1.00 72.14 C ATOM 112 O THR A 8 -8.271 17.600 -2.254 1.00 12.04 O ATOM 113 CB THR A 8 -9.984 14.812 -2.236 1.00 43.14 C ATOM 114 OG1 THR A 8 -9.476 15.103 -3.555 1.00 20.22 O ATOM 115 CG2 THR A 8 -11.512 15.028 -2.202 1.00 25.31 C ATOM 0 H THR A 8 -10.684 15.090 0.223 1.00 60.02 H new ATOM 0 HA THR A 8 -8.181 15.332 -1.138 1.00 33.52 H new ATOM 0 HB THR A 8 -9.811 13.766 -1.983 1.00 43.14 H new ATOM 0 HG1 THR A 8 -10.190 14.981 -4.215 1.00 20.22 H new ATOM 0 HG21 THR A 8 -11.985 14.404 -2.960 1.00 25.31 H new ATOM 0 HG22 THR A 8 -11.896 14.758 -1.218 1.00 25.31 H new ATOM 0 HG23 THR A 8 -11.736 16.076 -2.403 1.00 25.31 H new ATOM 123 N CYS A 9 -10.305 17.887 -1.243 1.00 4.04 N ATOM 124 CA CYS A 9 -10.541 19.314 -1.605 1.00 33.14 C ATOM 125 C CYS A 9 -10.705 19.524 -3.137 1.00 5.43 C ATOM 126 O CYS A 9 -11.808 19.798 -3.618 1.00 44.32 O ATOM 127 CB CYS A 9 -9.449 20.242 -1.022 1.00 75.34 C ATOM 128 SG CYS A 9 -9.360 20.206 0.783 1.00 54.15 S ATOM 0 H CYS A 9 -11.055 17.497 -0.672 1.00 4.04 H new ATOM 0 HA CYS A 9 -11.490 19.592 -1.147 1.00 33.14 H new ATOM 0 HB2 CYS A 9 -8.481 19.953 -1.431 1.00 75.34 H new ATOM 0 HB3 CYS A 9 -9.640 21.264 -1.348 1.00 75.34 H new ATOM 0 HG CYS A 9 -10.384 19.559 1.255 1.00 54.15 H new ATOM 134 N ASP A 10 -9.596 19.407 -3.892 1.00 23.55 N ATOM 135 CA ASP A 10 -9.596 19.541 -5.368 1.00 65.34 C ATOM 136 C ASP A 10 -9.587 18.145 -6.032 1.00 62.34 C ATOM 137 O ASP A 10 -10.615 17.696 -6.556 1.00 21.24 O ATOM 138 CB ASP A 10 -8.367 20.374 -5.831 1.00 14.31 C ATOM 139 CG ASP A 10 -8.268 21.717 -5.103 1.00 33.23 C ATOM 140 OD1 ASP A 10 -7.702 21.756 -3.988 1.00 22.32 O ATOM 141 OD2 ASP A 10 -8.792 22.727 -5.615 1.00 65.14 O ATOM 0 H ASP A 10 -8.674 19.217 -3.500 1.00 23.55 H new ATOM 0 HA ASP A 10 -10.503 20.063 -5.674 1.00 65.34 H new ATOM 0 HB2 ASP A 10 -7.456 19.801 -5.657 1.00 14.31 H new ATOM 0 HB3 ASP A 10 -8.433 20.549 -6.905 1.00 14.31 H new ATOM 146 N ALA A 11 -8.429 17.446 -5.956 1.00 14.23 N ATOM 147 CA ALA A 11 -8.226 16.145 -6.645 1.00 4.35 C ATOM 148 C ALA A 11 -6.950 15.401 -6.173 1.00 64.50 C ATOM 149 O ALA A 11 -6.894 14.179 -6.272 1.00 70.32 O ATOM 150 CB ALA A 11 -8.169 16.347 -8.179 1.00 42.01 C ATOM 0 H ALA A 11 -7.618 17.761 -5.423 1.00 14.23 H new ATOM 0 HA ALA A 11 -9.081 15.523 -6.382 1.00 4.35 H new ATOM 0 HB1 ALA A 11 -8.020 15.384 -8.667 1.00 42.01 H new ATOM 0 HB2 ALA A 11 -9.105 16.787 -8.523 1.00 42.01 H new ATOM 0 HB3 ALA A 11 -7.342 17.012 -8.428 1.00 42.01 H new ATOM 156 N VAL A 12 -5.947 16.155 -5.656 1.00 5.21 N ATOM 157 CA VAL A 12 -4.574 15.634 -5.356 1.00 41.30 C ATOM 158 C VAL A 12 -4.565 14.388 -4.412 1.00 32.53 C ATOM 159 O VAL A 12 -3.905 13.382 -4.706 1.00 70.10 O ATOM 160 CB VAL A 12 -3.654 16.767 -4.742 1.00 15.42 C ATOM 161 CG1 VAL A 12 -2.215 16.256 -4.449 1.00 24.42 C ATOM 162 CG2 VAL A 12 -3.613 18.013 -5.663 1.00 63.23 C ATOM 0 H VAL A 12 -6.060 17.144 -5.432 1.00 5.21 H new ATOM 0 HA VAL A 12 -4.174 15.311 -6.317 1.00 41.30 H new ATOM 0 HB VAL A 12 -4.099 17.055 -3.790 1.00 15.42 H new ATOM 0 HG11 VAL A 12 -1.620 17.067 -4.029 1.00 24.42 H new ATOM 0 HG12 VAL A 12 -2.259 15.432 -3.737 1.00 24.42 H new ATOM 0 HG13 VAL A 12 -1.756 15.911 -5.375 1.00 24.42 H new ATOM 0 HG21 VAL A 12 -2.974 18.775 -5.216 1.00 63.23 H new ATOM 0 HG22 VAL A 12 -3.215 17.732 -6.638 1.00 63.23 H new ATOM 0 HG23 VAL A 12 -4.621 18.410 -5.783 1.00 63.23 H new ATOM 172 N ARG A 13 -5.294 14.476 -3.282 1.00 72.44 N ATOM 173 CA ARG A 13 -5.358 13.379 -2.275 1.00 1.00 C ATOM 174 C ARG A 13 -6.174 12.187 -2.807 1.00 45.23 C ATOM 175 O ARG A 13 -5.760 11.039 -2.663 1.00 11.24 O ATOM 176 CB ARG A 13 -5.943 13.885 -0.919 1.00 12.31 C ATOM 177 CG ARG A 13 -4.947 14.668 -0.034 1.00 42.14 C ATOM 178 CD ARG A 13 -4.424 15.967 -0.679 1.00 33.51 C ATOM 179 NE ARG A 13 -5.477 16.992 -0.834 1.00 71.33 N ATOM 180 CZ ARG A 13 -5.425 18.215 -0.353 1.00 71.40 C ATOM 181 NH1 ARG A 13 -4.433 18.615 0.375 1.00 73.12 N ATOM 182 NH2 ARG A 13 -6.387 19.029 -0.590 1.00 41.01 N ATOM 0 H ARG A 13 -5.851 15.295 -3.036 1.00 72.44 H new ATOM 0 HA ARG A 13 -4.338 13.041 -2.094 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -6.802 14.523 -1.126 1.00 12.31 H new ATOM 0 HB3 ARG A 13 -6.311 13.027 -0.356 1.00 12.31 H new ATOM 0 HG2 ARG A 13 -5.431 14.913 0.911 1.00 42.14 H new ATOM 0 HG3 ARG A 13 -4.100 14.023 0.200 1.00 42.14 H new ATOM 0 HD2 ARG A 13 -3.617 16.371 -0.068 1.00 33.51 H new ATOM 0 HD3 ARG A 13 -4.000 15.737 -1.656 1.00 33.51 H new ATOM 0 HE ARG A 13 -6.313 16.730 -1.357 1.00 71.33 H new ATOM 0 HH11 ARG A 13 -3.667 17.976 0.588 1.00 73.12 H new ATOM 0 HH12 ARG A 13 -4.417 19.569 0.736 1.00 73.12 H new ATOM 0 HH21 ARG A 13 -7.185 18.726 -1.148 1.00 41.01 H new ATOM 0 HH22 ARG A 13 -6.354 19.979 -0.220 1.00 41.01 H new ATOM 196 N ASN A 14 -7.321 12.482 -3.457 1.00 12.31 N ATOM 197 CA ASN A 14 -8.195 11.446 -4.056 1.00 50.24 C ATOM 198 C ASN A 14 -7.452 10.657 -5.158 1.00 41.01 C ATOM 199 O ASN A 14 -7.698 9.473 -5.348 1.00 44.00 O ATOM 200 CB ASN A 14 -9.473 12.094 -4.644 1.00 3.11 C ATOM 201 CG ASN A 14 -10.549 11.085 -5.038 1.00 44.32 C ATOM 202 OD1 ASN A 14 -10.694 10.038 -4.422 1.00 11.54 O ATOM 203 ND2 ASN A 14 -11.317 11.392 -6.058 1.00 14.24 N ATOM 0 H ASN A 14 -7.666 13.434 -3.581 1.00 12.31 H new ATOM 0 HA ASN A 14 -8.477 10.750 -3.266 1.00 50.24 H new ATOM 0 HB2 ASN A 14 -9.888 12.787 -3.912 1.00 3.11 H new ATOM 0 HB3 ASN A 14 -9.201 12.682 -5.520 1.00 3.11 H new ATOM 0 HD21 ASN A 14 -12.054 10.751 -6.352 1.00 14.24 H new ATOM 0 HD22 ASN A 14 -11.176 12.271 -6.556 1.00 14.24 H new ATOM 210 N LYS A 15 -6.537 11.346 -5.864 1.00 0.41 N ATOM 211 CA LYS A 15 -5.687 10.749 -6.913 1.00 72.22 C ATOM 212 C LYS A 15 -4.744 9.684 -6.320 1.00 15.22 C ATOM 213 O LYS A 15 -4.704 8.555 -6.799 1.00 43.44 O ATOM 214 CB LYS A 15 -4.878 11.857 -7.626 1.00 43.44 C ATOM 215 CG LYS A 15 -4.005 11.358 -8.800 1.00 51.42 C ATOM 216 CD LYS A 15 -3.369 12.525 -9.577 1.00 74.31 C ATOM 217 CE LYS A 15 -2.522 12.061 -10.769 1.00 24.24 C ATOM 218 NZ LYS A 15 -2.012 13.206 -11.569 1.00 34.13 N ATOM 0 H LYS A 15 -6.365 12.341 -5.722 1.00 0.41 H new ATOM 0 HA LYS A 15 -6.330 10.255 -7.642 1.00 72.22 H new ATOM 0 HB2 LYS A 15 -5.570 12.612 -8.000 1.00 43.44 H new ATOM 0 HB3 LYS A 15 -4.236 12.348 -6.895 1.00 43.44 H new ATOM 0 HG2 LYS A 15 -3.220 10.706 -8.417 1.00 51.42 H new ATOM 0 HG3 LYS A 15 -4.614 10.760 -9.477 1.00 51.42 H new ATOM 0 HD2 LYS A 15 -4.157 13.188 -9.934 1.00 74.31 H new ATOM 0 HD3 LYS A 15 -2.745 13.108 -8.900 1.00 74.31 H new ATOM 0 HE2 LYS A 15 -1.682 11.468 -10.408 1.00 24.24 H new ATOM 0 HE3 LYS A 15 -3.120 11.410 -11.407 1.00 24.24 H new ATOM 0 HZ1 LYS A 15 -1.445 12.849 -12.364 1.00 34.13 H new ATOM 0 HZ2 LYS A 15 -2.814 13.758 -11.936 1.00 34.13 H new ATOM 0 HZ3 LYS A 15 -1.420 13.814 -10.967 1.00 34.13 H new ATOM 232 N CYS A 16 -4.011 10.067 -5.257 1.00 74.40 N ATOM 233 CA CYS A 16 -3.090 9.157 -4.530 1.00 62.03 C ATOM 234 C CYS A 16 -3.849 7.947 -3.935 1.00 54.44 C ATOM 235 O CYS A 16 -3.365 6.820 -3.982 1.00 32.42 O ATOM 236 CB CYS A 16 -2.345 9.933 -3.426 1.00 4.45 C ATOM 237 SG CYS A 16 -1.409 11.351 -4.051 1.00 42.41 S ATOM 0 H CYS A 16 -4.037 11.012 -4.875 1.00 74.40 H new ATOM 0 HA CYS A 16 -2.360 8.768 -5.241 1.00 62.03 H new ATOM 0 HB2 CYS A 16 -3.066 10.281 -2.686 1.00 4.45 H new ATOM 0 HB3 CYS A 16 -1.663 9.255 -2.912 1.00 4.45 H new ATOM 0 HG CYS A 16 -1.211 12.199 -3.086 1.00 42.41 H new ATOM 243 N ARG A 17 -5.053 8.215 -3.407 1.00 43.34 N ATOM 244 CA ARG A 17 -5.969 7.195 -2.849 1.00 22.00 C ATOM 245 C ARG A 17 -6.432 6.186 -3.932 1.00 5.44 C ATOM 246 O ARG A 17 -6.423 4.978 -3.712 1.00 24.01 O ATOM 247 CB ARG A 17 -7.187 7.923 -2.226 1.00 0.50 C ATOM 248 CG ARG A 17 -8.134 7.049 -1.377 1.00 52.31 C ATOM 249 CD ARG A 17 -9.220 7.893 -0.679 1.00 31.15 C ATOM 250 NE ARG A 17 -8.624 8.962 0.149 1.00 64.20 N ATOM 251 CZ ARG A 17 -9.287 9.874 0.820 1.00 3.20 C ATOM 252 NH1 ARG A 17 -10.581 9.891 0.851 1.00 62.13 N ATOM 253 NH2 ARG A 17 -8.640 10.778 1.468 1.00 1.25 N ATOM 0 H ARG A 17 -5.429 9.162 -3.352 1.00 43.34 H new ATOM 0 HA ARG A 17 -5.442 6.620 -2.087 1.00 22.00 H new ATOM 0 HB2 ARG A 17 -6.819 8.737 -1.602 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.766 8.375 -3.031 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -8.608 6.302 -2.014 1.00 52.31 H new ATOM 0 HG3 ARG A 17 -7.556 6.509 -0.627 1.00 52.31 H new ATOM 0 HD2 ARG A 17 -9.877 8.335 -1.428 1.00 31.15 H new ATOM 0 HD3 ARG A 17 -9.838 7.248 -0.054 1.00 31.15 H new ATOM 0 HE ARG A 17 -7.606 8.994 0.204 1.00 64.20 H new ATOM 0 HH11 ARG A 17 -11.113 9.183 0.345 1.00 62.13 H new ATOM 0 HH12 ARG A 17 -11.069 10.613 1.381 1.00 62.13 H new ATOM 0 HH21 ARG A 17 -7.620 10.782 1.457 1.00 1.25 H new ATOM 0 HH22 ARG A 17 -9.147 11.491 1.992 1.00 1.25 H new ATOM 267 N GLU A 18 -6.824 6.716 -5.109 1.00 11.20 N ATOM 268 CA GLU A 18 -7.269 5.907 -6.274 1.00 62.15 C ATOM 269 C GLU A 18 -6.133 5.019 -6.826 1.00 23.24 C ATOM 270 O GLU A 18 -6.366 3.871 -7.196 1.00 11.10 O ATOM 271 CB GLU A 18 -7.814 6.838 -7.403 1.00 51.45 C ATOM 272 CG GLU A 18 -9.237 7.394 -7.167 1.00 12.35 C ATOM 273 CD GLU A 18 -10.323 6.308 -7.268 1.00 53.14 C ATOM 274 OE1 GLU A 18 -10.650 5.894 -8.395 1.00 74.24 O ATOM 275 OE2 GLU A 18 -10.838 5.850 -6.231 1.00 21.12 O ATOM 0 H GLU A 18 -6.843 7.721 -5.284 1.00 11.20 H new ATOM 0 HA GLU A 18 -8.067 5.250 -5.929 1.00 62.15 H new ATOM 0 HB2 GLU A 18 -7.129 7.677 -7.523 1.00 51.45 H new ATOM 0 HB3 GLU A 18 -7.808 6.285 -8.342 1.00 51.45 H new ATOM 0 HG2 GLU A 18 -9.283 7.857 -6.181 1.00 12.35 H new ATOM 0 HG3 GLU A 18 -9.443 8.177 -7.897 1.00 12.35 H new ATOM 282 N MET A 19 -4.912 5.567 -6.876 1.00 12.52 N ATOM 283 CA MET A 19 -3.736 4.860 -7.426 1.00 5.31 C ATOM 284 C MET A 19 -3.213 3.756 -6.457 1.00 44.30 C ATOM 285 O MET A 19 -2.857 2.655 -6.899 1.00 41.00 O ATOM 286 CB MET A 19 -2.624 5.878 -7.783 1.00 22.44 C ATOM 287 CG MET A 19 -2.992 6.891 -8.879 1.00 64.10 C ATOM 288 SD MET A 19 -1.621 7.996 -9.308 1.00 54.55 S ATOM 289 CE MET A 19 -1.207 8.737 -7.727 1.00 15.42 C ATOM 0 H MET A 19 -4.706 6.508 -6.540 1.00 12.52 H new ATOM 0 HA MET A 19 -4.044 4.349 -8.338 1.00 5.31 H new ATOM 0 HB2 MET A 19 -2.352 6.426 -6.881 1.00 22.44 H new ATOM 0 HB3 MET A 19 -1.738 5.328 -8.101 1.00 22.44 H new ATOM 0 HG2 MET A 19 -3.311 6.353 -9.772 1.00 64.10 H new ATOM 0 HG3 MET A 19 -3.841 7.487 -8.545 1.00 64.10 H new ATOM 0 HE1 MET A 19 -0.507 9.558 -7.882 1.00 15.42 H new ATOM 0 HE2 MET A 19 -2.113 9.117 -7.255 1.00 15.42 H new ATOM 0 HE3 MET A 19 -0.749 7.987 -7.082 1.00 15.42 H new ATOM 299 N LEU A 20 -3.164 4.061 -5.136 1.00 44.13 N ATOM 300 CA LEU A 20 -2.806 3.059 -4.086 1.00 71.10 C ATOM 301 C LEU A 20 -3.826 1.893 -4.068 1.00 25.04 C ATOM 302 O LEU A 20 -3.447 0.724 -3.943 1.00 72.41 O ATOM 303 CB LEU A 20 -2.729 3.723 -2.679 1.00 74.54 C ATOM 304 CG LEU A 20 -1.518 4.675 -2.407 1.00 5.51 C ATOM 305 CD1 LEU A 20 -1.706 5.446 -1.073 1.00 53.22 C ATOM 306 CD2 LEU A 20 -0.176 3.896 -2.416 1.00 13.13 C ATOM 0 H LEU A 20 -3.367 4.990 -4.767 1.00 44.13 H new ATOM 0 HA LEU A 20 -1.822 2.660 -4.332 1.00 71.10 H new ATOM 0 HB2 LEU A 20 -3.647 4.289 -2.521 1.00 74.54 H new ATOM 0 HB3 LEU A 20 -2.711 2.930 -1.931 1.00 74.54 H new ATOM 0 HG LEU A 20 -1.482 5.405 -3.215 1.00 5.51 H new ATOM 0 HD11 LEU A 20 -0.850 6.101 -0.907 1.00 53.22 H new ATOM 0 HD12 LEU A 20 -2.616 6.044 -1.123 1.00 53.22 H new ATOM 0 HD13 LEU A 20 -1.784 4.736 -0.250 1.00 53.22 H new ATOM 0 HD21 LEU A 20 0.646 4.585 -2.224 1.00 13.13 H new ATOM 0 HD22 LEU A 20 -0.195 3.129 -1.641 1.00 13.13 H new ATOM 0 HD23 LEU A 20 -0.035 3.425 -3.389 1.00 13.13 H new ATOM 318 N THR A 21 -5.124 2.243 -4.197 1.00 35.03 N ATOM 319 CA THR A 21 -6.220 1.258 -4.346 1.00 44.53 C ATOM 320 C THR A 21 -6.052 0.432 -5.642 1.00 62.51 C ATOM 321 O THR A 21 -6.259 -0.772 -5.631 1.00 21.34 O ATOM 322 CB THR A 21 -7.634 1.942 -4.340 1.00 15.54 C ATOM 323 OG1 THR A 21 -7.828 2.644 -3.106 1.00 14.32 O ATOM 324 CG2 THR A 21 -8.791 0.938 -4.514 1.00 12.44 C ATOM 0 H THR A 21 -5.442 3.212 -4.201 1.00 35.03 H new ATOM 0 HA THR A 21 -6.159 0.593 -3.484 1.00 44.53 H new ATOM 0 HB THR A 21 -7.650 2.624 -5.190 1.00 15.54 H new ATOM 0 HG1 THR A 21 -7.367 3.508 -3.145 1.00 14.32 H new ATOM 0 HG21 THR A 21 -9.741 1.472 -4.501 1.00 12.44 H new ATOM 0 HG22 THR A 21 -8.680 0.417 -5.465 1.00 12.44 H new ATOM 0 HG23 THR A 21 -8.771 0.215 -3.699 1.00 12.44 H new ATOM 332 N ALA A 22 -5.642 1.099 -6.745 1.00 51.12 N ATOM 333 CA ALA A 22 -5.419 0.449 -8.069 1.00 12.43 C ATOM 334 C ALA A 22 -4.340 -0.662 -8.000 1.00 52.25 C ATOM 335 O ALA A 22 -4.438 -1.674 -8.702 1.00 42.14 O ATOM 336 CB ALA A 22 -5.052 1.500 -9.129 1.00 75.22 C ATOM 0 H ALA A 22 -5.455 2.102 -6.749 1.00 51.12 H new ATOM 0 HA ALA A 22 -6.354 -0.031 -8.358 1.00 12.43 H new ATOM 0 HB1 ALA A 22 -4.893 1.009 -10.089 1.00 75.22 H new ATOM 0 HB2 ALA A 22 -5.863 2.222 -9.221 1.00 75.22 H new ATOM 0 HB3 ALA A 22 -4.139 2.016 -8.830 1.00 75.22 H new ATOM 342 N ALA A 23 -3.324 -0.466 -7.133 1.00 3.32 N ATOM 343 CA ALA A 23 -2.335 -1.519 -6.799 1.00 4.42 C ATOM 344 C ALA A 23 -3.035 -2.736 -6.159 1.00 22.12 C ATOM 345 O ALA A 23 -2.789 -3.871 -6.533 1.00 51.41 O ATOM 346 CB ALA A 23 -1.262 -0.973 -5.845 1.00 20.31 C ATOM 0 H ALA A 23 -3.165 0.417 -6.648 1.00 3.32 H new ATOM 0 HA ALA A 23 -1.853 -1.835 -7.724 1.00 4.42 H new ATOM 0 HB1 ALA A 23 -0.546 -1.762 -5.613 1.00 20.31 H new ATOM 0 HB2 ALA A 23 -0.743 -0.140 -6.320 1.00 20.31 H new ATOM 0 HB3 ALA A 23 -1.734 -0.629 -4.925 1.00 20.31 H new ATOM 352 N LEU A 24 -3.940 -2.453 -5.213 1.00 45.34 N ATOM 353 CA LEU A 24 -4.701 -3.480 -4.461 1.00 11.45 C ATOM 354 C LEU A 24 -5.840 -4.124 -5.322 1.00 34.22 C ATOM 355 O LEU A 24 -6.335 -5.207 -4.989 1.00 73.21 O ATOM 356 CB LEU A 24 -5.277 -2.825 -3.176 1.00 44.22 C ATOM 357 CG LEU A 24 -4.242 -2.069 -2.266 1.00 14.23 C ATOM 358 CD1 LEU A 24 -4.938 -1.297 -1.121 1.00 72.23 C ATOM 359 CD2 LEU A 24 -3.164 -3.027 -1.708 1.00 71.31 C ATOM 0 H LEU A 24 -4.172 -1.498 -4.940 1.00 45.34 H new ATOM 0 HA LEU A 24 -4.025 -4.293 -4.196 1.00 11.45 H new ATOM 0 HB2 LEU A 24 -6.056 -2.121 -3.469 1.00 44.22 H new ATOM 0 HB3 LEU A 24 -5.756 -3.601 -2.580 1.00 44.22 H new ATOM 0 HG LEU A 24 -3.742 -1.338 -2.901 1.00 14.23 H new ATOM 0 HD11 LEU A 24 -4.187 -0.789 -0.516 1.00 72.23 H new ATOM 0 HD12 LEU A 24 -5.623 -0.561 -1.542 1.00 72.23 H new ATOM 0 HD13 LEU A 24 -5.495 -1.996 -0.497 1.00 72.23 H new ATOM 0 HD21 LEU A 24 -2.467 -2.467 -1.084 1.00 71.31 H new ATOM 0 HD22 LEU A 24 -3.642 -3.804 -1.111 1.00 71.31 H new ATOM 0 HD23 LEU A 24 -2.622 -3.486 -2.535 1.00 71.31 H new ATOM 371 N GLN A 25 -6.236 -3.440 -6.428 1.00 54.01 N ATOM 372 CA GLN A 25 -7.307 -3.904 -7.360 1.00 35.32 C ATOM 373 C GLN A 25 -6.778 -4.846 -8.471 1.00 0.35 C ATOM 374 O GLN A 25 -7.579 -5.525 -9.121 1.00 43.21 O ATOM 375 CB GLN A 25 -8.027 -2.692 -8.038 1.00 1.14 C ATOM 376 CG GLN A 25 -8.850 -1.785 -7.097 1.00 14.11 C ATOM 377 CD GLN A 25 -10.018 -2.501 -6.419 1.00 54.05 C ATOM 378 OE1 GLN A 25 -9.771 -3.089 -5.271 1.00 64.04 O flip ATOM 379 NE2 GLN A 25 -11.137 -2.523 -6.925 1.00 73.11 N flip ATOM 0 H GLN A 25 -5.822 -2.549 -6.702 1.00 54.01 H new ATOM 0 HA GLN A 25 -8.009 -4.464 -6.742 1.00 35.32 H new ATOM 0 HB2 GLN A 25 -7.275 -2.080 -8.536 1.00 1.14 H new ATOM 0 HB3 GLN A 25 -8.690 -3.075 -8.813 1.00 1.14 H new ATOM 0 HG2 GLN A 25 -8.190 -1.378 -6.330 1.00 14.11 H new ATOM 0 HG3 GLN A 25 -9.235 -0.940 -7.667 1.00 14.11 H new ATOM 0 HE21 GLN A 25 -11.302 -2.058 -7.818 1.00 73.11 H new ATOM 0 HE22 GLN A 25 -11.901 -3.006 -6.452 1.00 73.11 H new ATOM 388 N THR A 26 -5.438 -4.873 -8.690 1.00 10.41 N ATOM 389 CA THR A 26 -4.818 -5.624 -9.827 1.00 11.03 C ATOM 390 C THR A 26 -5.165 -7.137 -9.805 1.00 3.33 C ATOM 391 O THR A 26 -5.293 -7.765 -10.859 1.00 40.00 O ATOM 392 CB THR A 26 -3.260 -5.435 -9.902 1.00 42.10 C ATOM 393 OG1 THR A 26 -2.749 -6.014 -11.122 1.00 75.13 O ATOM 394 CG2 THR A 26 -2.522 -6.061 -8.704 1.00 53.41 C ATOM 0 H THR A 26 -4.763 -4.387 -8.100 1.00 10.41 H new ATOM 0 HA THR A 26 -5.256 -5.188 -10.725 1.00 11.03 H new ATOM 0 HB THR A 26 -3.077 -4.361 -9.880 1.00 42.10 H new ATOM 0 HG1 THR A 26 -1.778 -5.890 -11.161 1.00 75.13 H new ATOM 0 HG21 THR A 26 -1.450 -5.898 -8.812 1.00 53.41 H new ATOM 0 HG22 THR A 26 -2.868 -5.597 -7.780 1.00 53.41 H new ATOM 0 HG23 THR A 26 -2.725 -7.131 -8.671 1.00 53.41 H new ATOM 402 N ASP A 27 -5.313 -7.706 -8.590 1.00 21.42 N ATOM 403 CA ASP A 27 -5.851 -9.073 -8.377 1.00 73.44 C ATOM 404 C ASP A 27 -6.926 -9.044 -7.263 1.00 42.25 C ATOM 405 O ASP A 27 -6.919 -8.158 -6.394 1.00 65.32 O ATOM 406 CB ASP A 27 -4.739 -10.083 -7.994 1.00 34.43 C ATOM 407 CG ASP A 27 -3.578 -10.138 -8.993 1.00 2.31 C ATOM 408 OD1 ASP A 27 -3.811 -10.471 -10.169 1.00 54.43 O ATOM 409 OD2 ASP A 27 -2.428 -9.855 -8.596 1.00 22.24 O ATOM 0 H ASP A 27 -5.062 -7.231 -7.723 1.00 21.42 H new ATOM 0 HA ASP A 27 -6.292 -9.402 -9.318 1.00 73.44 H new ATOM 0 HB2 ASP A 27 -4.347 -9.821 -7.011 1.00 34.43 H new ATOM 0 HB3 ASP A 27 -5.179 -11.077 -7.908 1.00 34.43 H new ATOM 414 N HIS A 28 -7.822 -10.047 -7.267 1.00 1.02 N ATOM 415 CA HIS A 28 -8.952 -10.133 -6.309 1.00 61.10 C ATOM 416 C HIS A 28 -8.569 -10.865 -4.984 1.00 20.40 C ATOM 417 O HIS A 28 -9.405 -11.568 -4.407 1.00 20.41 O ATOM 418 CB HIS A 28 -10.155 -10.837 -7.000 1.00 10.51 C ATOM 419 CG HIS A 28 -10.754 -10.090 -8.161 1.00 55.12 C ATOM 420 ND1 HIS A 28 -11.238 -10.711 -9.292 1.00 62.43 N ATOM 421 CD2 HIS A 28 -10.976 -8.773 -8.345 1.00 1.32 C ATOM 422 CE1 HIS A 28 -11.729 -9.811 -10.113 1.00 41.13 C ATOM 423 NE2 HIS A 28 -11.584 -8.625 -9.564 1.00 2.22 N ATOM 0 H HIS A 28 -7.788 -10.821 -7.930 1.00 1.02 H new ATOM 0 HA HIS A 28 -9.227 -9.117 -6.025 1.00 61.10 H new ATOM 0 HB2 HIS A 28 -9.830 -11.818 -7.348 1.00 10.51 H new ATOM 0 HB3 HIS A 28 -10.934 -11.005 -6.256 1.00 10.51 H new ATOM 0 HD2 HIS A 28 -10.721 -7.980 -7.658 1.00 1.32 H new ATOM 0 HE1 HIS A 28 -12.176 -10.011 -11.076 1.00 41.13 H new ATOM 0 HE2 HIS A 28 -11.876 -7.740 -9.978 1.00 2.22 H new ATOM 432 N ASP A 29 -7.326 -10.654 -4.479 1.00 13.05 N ATOM 433 CA ASP A 29 -6.885 -11.205 -3.159 1.00 74.33 C ATOM 434 C ASP A 29 -7.766 -10.656 -2.016 1.00 14.32 C ATOM 435 O ASP A 29 -8.132 -11.381 -1.098 1.00 75.55 O ATOM 436 CB ASP A 29 -5.406 -10.856 -2.856 1.00 34.31 C ATOM 437 CG ASP A 29 -4.470 -11.155 -4.023 1.00 45.33 C ATOM 438 OD1 ASP A 29 -4.036 -12.310 -4.179 1.00 72.33 O ATOM 439 OD2 ASP A 29 -4.191 -10.235 -4.807 1.00 2.35 O ATOM 0 H ASP A 29 -6.610 -10.109 -4.959 1.00 13.05 H new ATOM 0 HA ASP A 29 -6.987 -12.288 -3.221 1.00 74.33 H new ATOM 0 HB2 ASP A 29 -5.333 -9.799 -2.601 1.00 34.31 H new ATOM 0 HB3 ASP A 29 -5.078 -11.418 -1.982 1.00 34.31 H new ATOM 444 N HIS A 30 -8.096 -9.353 -2.114 1.00 63.12 N ATOM 445 CA HIS A 30 -8.988 -8.658 -1.158 1.00 0.53 C ATOM 446 C HIS A 30 -10.414 -9.290 -1.105 1.00 64.52 C ATOM 447 O HIS A 30 -11.050 -9.288 -0.057 1.00 4.42 O ATOM 448 CB HIS A 30 -9.052 -7.145 -1.503 1.00 72.14 C ATOM 449 CG HIS A 30 -9.519 -6.819 -2.901 1.00 61.13 C ATOM 450 ND1 HIS A 30 -8.666 -6.760 -3.986 1.00 1.44 N ATOM 451 CD2 HIS A 30 -10.751 -6.528 -3.389 1.00 72.53 C ATOM 452 CE1 HIS A 30 -9.351 -6.451 -5.064 1.00 22.13 C ATOM 453 NE2 HIS A 30 -10.610 -6.307 -4.732 1.00 32.31 N ATOM 0 H HIS A 30 -7.751 -8.749 -2.860 1.00 63.12 H new ATOM 0 HA HIS A 30 -8.566 -8.777 -0.160 1.00 0.53 H new ATOM 0 HB2 HIS A 30 -9.718 -6.655 -0.792 1.00 72.14 H new ATOM 0 HB3 HIS A 30 -8.061 -6.715 -1.360 1.00 72.14 H new ATOM 0 HD2 HIS A 30 -11.670 -6.480 -2.824 1.00 72.53 H new ATOM 0 HE1 HIS A 30 -8.944 -6.335 -6.058 1.00 22.13 H new ATOM 0 HE2 HIS A 30 -11.366 -6.068 -5.374 1.00 32.31 H new ATOM 462 N VAL A 31 -10.891 -9.832 -2.248 1.00 12.01 N ATOM 463 CA VAL A 31 -12.195 -10.549 -2.330 1.00 43.44 C ATOM 464 C VAL A 31 -12.089 -11.954 -1.674 1.00 34.42 C ATOM 465 O VAL A 31 -12.955 -12.353 -0.887 1.00 43.52 O ATOM 466 CB VAL A 31 -12.672 -10.692 -3.830 1.00 74.13 C ATOM 467 CG1 VAL A 31 -14.016 -11.458 -3.947 1.00 2.54 C ATOM 468 CG2 VAL A 31 -12.763 -9.308 -4.516 1.00 22.12 C ATOM 0 H VAL A 31 -10.392 -9.788 -3.136 1.00 12.01 H new ATOM 0 HA VAL A 31 -12.933 -9.958 -1.787 1.00 43.44 H new ATOM 0 HB VAL A 31 -11.919 -11.285 -4.350 1.00 74.13 H new ATOM 0 HG11 VAL A 31 -14.303 -11.531 -4.996 1.00 2.54 H new ATOM 0 HG12 VAL A 31 -13.902 -12.459 -3.532 1.00 2.54 H new ATOM 0 HG13 VAL A 31 -14.789 -10.923 -3.396 1.00 2.54 H new ATOM 0 HG21 VAL A 31 -13.093 -9.434 -5.547 1.00 22.12 H new ATOM 0 HG22 VAL A 31 -13.477 -8.683 -3.980 1.00 22.12 H new ATOM 0 HG23 VAL A 31 -11.783 -8.831 -4.505 1.00 22.12 H new ATOM 478 N ALA A 32 -10.999 -12.671 -2.017 1.00 12.30 N ATOM 479 CA ALA A 32 -10.707 -14.038 -1.517 1.00 24.33 C ATOM 480 C ALA A 32 -10.542 -14.084 0.025 1.00 42.34 C ATOM 481 O ALA A 32 -11.010 -15.016 0.682 1.00 62.32 O ATOM 482 CB ALA A 32 -9.446 -14.580 -2.215 1.00 15.33 C ATOM 0 H ALA A 32 -10.287 -12.317 -2.656 1.00 12.30 H new ATOM 0 HA ALA A 32 -11.562 -14.671 -1.756 1.00 24.33 H new ATOM 0 HB1 ALA A 32 -9.230 -15.584 -1.849 1.00 15.33 H new ATOM 0 HB2 ALA A 32 -9.613 -14.615 -3.292 1.00 15.33 H new ATOM 0 HB3 ALA A 32 -8.601 -13.926 -1.999 1.00 15.33 H new ATOM 488 N ILE A 33 -9.869 -13.063 0.575 1.00 24.22 N ATOM 489 CA ILE A 33 -9.663 -12.898 2.034 1.00 73.01 C ATOM 490 C ILE A 33 -10.924 -12.282 2.708 1.00 22.11 C ATOM 491 O ILE A 33 -11.269 -12.633 3.844 1.00 15.11 O ATOM 492 CB ILE A 33 -8.388 -12.001 2.310 1.00 34.35 C ATOM 493 CG1 ILE A 33 -7.114 -12.659 1.666 1.00 30.13 C ATOM 494 CG2 ILE A 33 -8.171 -11.747 3.828 1.00 53.04 C ATOM 495 CD1 ILE A 33 -5.863 -11.795 1.676 1.00 31.45 C ATOM 0 H ILE A 33 -9.446 -12.318 0.021 1.00 24.22 H new ATOM 0 HA ILE A 33 -9.497 -13.883 2.470 1.00 73.01 H new ATOM 0 HB ILE A 33 -8.559 -11.030 1.846 1.00 34.35 H new ATOM 0 HG12 ILE A 33 -6.899 -13.588 2.194 1.00 30.13 H new ATOM 0 HG13 ILE A 33 -7.344 -12.925 0.634 1.00 30.13 H new ATOM 0 HG21 ILE A 33 -7.286 -11.127 3.970 1.00 53.04 H new ATOM 0 HG22 ILE A 33 -9.041 -11.236 4.239 1.00 53.04 H new ATOM 0 HG23 ILE A 33 -8.034 -12.699 4.340 1.00 53.04 H new ATOM 0 HD11 ILE A 33 -5.041 -12.339 1.210 1.00 31.45 H new ATOM 0 HD12 ILE A 33 -6.051 -10.876 1.121 1.00 31.45 H new ATOM 0 HD13 ILE A 33 -5.598 -11.550 2.705 1.00 31.45 H new ATOM 507 N GLY A 34 -11.620 -11.385 1.979 1.00 60.25 N ATOM 508 CA GLY A 34 -12.844 -10.728 2.478 1.00 2.12 C ATOM 509 C GLY A 34 -12.580 -9.390 3.183 1.00 72.12 C ATOM 510 O GLY A 34 -13.313 -9.011 4.104 1.00 61.00 O ATOM 0 H GLY A 34 -11.352 -11.099 1.037 1.00 60.25 H new ATOM 0 HA2 GLY A 34 -13.523 -10.561 1.642 1.00 2.12 H new ATOM 0 HA3 GLY A 34 -13.351 -11.400 3.171 1.00 2.12 H new ATOM 514 N ALA A 35 -11.526 -8.677 2.744 1.00 23.01 N ATOM 515 CA ALA A 35 -11.143 -7.352 3.288 1.00 41.33 C ATOM 516 C ALA A 35 -11.345 -6.238 2.232 1.00 73.05 C ATOM 517 O ALA A 35 -10.962 -6.409 1.068 1.00 35.34 O ATOM 518 CB ALA A 35 -9.677 -7.384 3.749 1.00 50.25 C ATOM 0 H ALA A 35 -10.910 -9.002 1.998 1.00 23.01 H new ATOM 0 HA ALA A 35 -11.786 -7.130 4.140 1.00 41.33 H new ATOM 0 HB1 ALA A 35 -9.400 -6.408 4.148 1.00 50.25 H new ATOM 0 HB2 ALA A 35 -9.556 -8.141 4.524 1.00 50.25 H new ATOM 0 HB3 ALA A 35 -9.035 -7.626 2.902 1.00 50.25 H new ATOM 524 N ASP A 36 -11.946 -5.095 2.642 1.00 52.45 N ATOM 525 CA ASP A 36 -12.116 -3.926 1.753 1.00 65.12 C ATOM 526 C ASP A 36 -10.769 -3.175 1.605 1.00 52.42 C ATOM 527 O ASP A 36 -10.361 -2.415 2.484 1.00 64.34 O ATOM 528 CB ASP A 36 -13.237 -2.983 2.274 1.00 41.53 C ATOM 529 CG ASP A 36 -13.497 -1.804 1.317 1.00 22.02 C ATOM 530 OD1 ASP A 36 -14.176 -2.003 0.286 1.00 3.51 O ATOM 531 OD2 ASP A 36 -12.996 -0.686 1.570 1.00 53.24 O ATOM 0 H ASP A 36 -12.320 -4.960 3.581 1.00 52.45 H new ATOM 0 HA ASP A 36 -12.424 -4.278 0.769 1.00 65.12 H new ATOM 0 HB2 ASP A 36 -14.157 -3.553 2.404 1.00 41.53 H new ATOM 0 HB3 ASP A 36 -12.959 -2.598 3.255 1.00 41.53 H new ATOM 536 N CYS A 37 -10.079 -3.425 0.491 1.00 70.01 N ATOM 537 CA CYS A 37 -8.766 -2.813 0.186 1.00 45.12 C ATOM 538 C CYS A 37 -8.846 -1.283 -0.018 1.00 33.21 C ATOM 539 O CYS A 37 -7.858 -0.567 0.182 1.00 74.23 O ATOM 540 CB CYS A 37 -8.208 -3.467 -1.080 1.00 22.43 C ATOM 541 SG CYS A 37 -9.296 -3.349 -2.514 1.00 1.22 S ATOM 0 H CYS A 37 -10.410 -4.060 -0.235 1.00 70.01 H new ATOM 0 HA CYS A 37 -8.113 -2.983 1.042 1.00 45.12 H new ATOM 0 HB2 CYS A 37 -7.252 -3.003 -1.324 1.00 22.43 H new ATOM 0 HB3 CYS A 37 -8.009 -4.519 -0.875 1.00 22.43 H new ATOM 0 HG CYS A 37 -8.581 -3.227 -3.593 1.00 1.22 H new ATOM 547 N GLU A 38 -10.041 -0.802 -0.383 1.00 2.02 N ATOM 548 CA GLU A 38 -10.260 0.596 -0.794 1.00 13.05 C ATOM 549 C GLU A 38 -10.134 1.581 0.393 1.00 40.54 C ATOM 550 O GLU A 38 -9.528 2.651 0.247 1.00 40.52 O ATOM 551 CB GLU A 38 -11.633 0.710 -1.511 1.00 61.12 C ATOM 552 CG GLU A 38 -11.761 -0.251 -2.720 1.00 74.42 C ATOM 553 CD GLU A 38 -13.055 -0.105 -3.533 1.00 11.10 C ATOM 554 OE1 GLU A 38 -13.296 0.983 -4.085 1.00 34.54 O ATOM 555 OE2 GLU A 38 -13.818 -1.092 -3.655 1.00 21.21 O ATOM 0 H GLU A 38 -10.887 -1.371 -0.403 1.00 2.02 H new ATOM 0 HA GLU A 38 -9.476 0.882 -1.495 1.00 13.05 H new ATOM 0 HB2 GLU A 38 -12.429 0.497 -0.798 1.00 61.12 H new ATOM 0 HB3 GLU A 38 -11.776 1.736 -1.851 1.00 61.12 H new ATOM 0 HG2 GLU A 38 -10.912 -0.089 -3.385 1.00 74.42 H new ATOM 0 HG3 GLU A 38 -11.691 -1.277 -2.358 1.00 74.42 H new ATOM 562 N ARG A 39 -10.674 1.204 1.579 1.00 12.43 N ATOM 563 CA ARG A 39 -10.549 2.040 2.802 1.00 11.32 C ATOM 564 C ARG A 39 -9.152 1.857 3.452 1.00 60.34 C ATOM 565 O ARG A 39 -8.637 2.785 4.069 1.00 75.23 O ATOM 566 CB ARG A 39 -11.734 1.798 3.820 1.00 55.10 C ATOM 567 CG ARG A 39 -11.458 0.934 5.086 1.00 3.32 C ATOM 568 CD ARG A 39 -11.348 -0.575 4.814 1.00 11.03 C ATOM 569 NE ARG A 39 -11.207 -1.334 6.068 1.00 72.02 N ATOM 570 CZ ARG A 39 -10.982 -2.630 6.170 1.00 43.12 C ATOM 571 NH1 ARG A 39 -10.821 -3.378 5.132 1.00 43.33 N ATOM 572 NH2 ARG A 39 -10.913 -3.168 7.339 1.00 31.44 N ATOM 0 H ARG A 39 -11.194 0.337 1.715 1.00 12.43 H new ATOM 0 HA ARG A 39 -10.633 3.084 2.501 1.00 11.32 H new ATOM 0 HB2 ARG A 39 -12.089 2.773 4.154 1.00 55.10 H new ATOM 0 HB3 ARG A 39 -12.553 1.332 3.272 1.00 55.10 H new ATOM 0 HG2 ARG A 39 -10.532 1.276 5.549 1.00 3.32 H new ATOM 0 HG3 ARG A 39 -12.257 1.103 5.808 1.00 3.32 H new ATOM 0 HD2 ARG A 39 -12.233 -0.916 4.277 1.00 11.03 H new ATOM 0 HD3 ARG A 39 -10.490 -0.769 4.170 1.00 11.03 H new ATOM 0 HE ARG A 39 -11.291 -0.809 6.939 1.00 72.02 H new ATOM 0 HH11 ARG A 39 -10.866 -2.971 4.198 1.00 43.33 H new ATOM 0 HH12 ARG A 39 -10.649 -4.377 5.245 1.00 43.33 H new ATOM 0 HH21 ARG A 39 -11.032 -2.593 8.173 1.00 31.44 H new ATOM 0 HH22 ARG A 39 -10.740 -4.169 7.430 1.00 31.44 H new ATOM 586 N LEU A 40 -8.539 0.656 3.272 1.00 62.42 N ATOM 587 CA LEU A 40 -7.146 0.377 3.713 1.00 54.02 C ATOM 588 C LEU A 40 -6.149 1.346 3.040 1.00 52.45 C ATOM 589 O LEU A 40 -5.223 1.833 3.680 1.00 24.25 O ATOM 590 CB LEU A 40 -6.743 -1.093 3.399 1.00 64.44 C ATOM 591 CG LEU A 40 -7.499 -2.202 4.194 1.00 21.34 C ATOM 592 CD1 LEU A 40 -7.094 -3.617 3.709 1.00 25.31 C ATOM 593 CD2 LEU A 40 -7.273 -2.045 5.718 1.00 34.22 C ATOM 0 H LEU A 40 -8.992 -0.139 2.821 1.00 62.42 H new ATOM 0 HA LEU A 40 -7.109 0.527 4.792 1.00 54.02 H new ATOM 0 HB2 LEU A 40 -6.897 -1.270 2.335 1.00 64.44 H new ATOM 0 HB3 LEU A 40 -5.675 -1.203 3.589 1.00 64.44 H new ATOM 0 HG LEU A 40 -8.565 -2.082 4.001 1.00 21.34 H new ATOM 0 HD11 LEU A 40 -7.638 -4.368 4.282 1.00 25.31 H new ATOM 0 HD12 LEU A 40 -7.336 -3.722 2.651 1.00 25.31 H new ATOM 0 HD13 LEU A 40 -6.023 -3.758 3.852 1.00 25.31 H new ATOM 0 HD21 LEU A 40 -7.811 -2.831 6.248 1.00 34.22 H new ATOM 0 HD22 LEU A 40 -6.208 -2.122 5.938 1.00 34.22 H new ATOM 0 HD23 LEU A 40 -7.641 -1.071 6.042 1.00 34.22 H new ATOM 605 N SER A 41 -6.379 1.601 1.740 1.00 54.33 N ATOM 606 CA SER A 41 -5.609 2.571 0.922 1.00 55.05 C ATOM 607 C SER A 41 -5.703 4.016 1.473 1.00 65.14 C ATOM 608 O SER A 41 -4.702 4.738 1.520 1.00 61.44 O ATOM 609 CB SER A 41 -6.129 2.536 -0.527 1.00 55.30 C ATOM 610 OG SER A 41 -5.566 3.560 -1.327 1.00 22.32 O ATOM 0 H SER A 41 -7.117 1.134 1.214 1.00 54.33 H new ATOM 0 HA SER A 41 -4.560 2.278 0.961 1.00 55.05 H new ATOM 0 HB2 SER A 41 -5.900 1.566 -0.969 1.00 55.30 H new ATOM 0 HB3 SER A 41 -7.214 2.637 -0.523 1.00 55.30 H new ATOM 0 HG SER A 41 -6.250 4.233 -1.527 1.00 22.32 H new ATOM 616 N ALA A 42 -6.921 4.422 1.879 1.00 4.03 N ATOM 617 CA ALA A 42 -7.166 5.743 2.510 1.00 51.15 C ATOM 618 C ALA A 42 -6.466 5.852 3.890 1.00 21.13 C ATOM 619 O ALA A 42 -6.043 6.936 4.293 1.00 40.15 O ATOM 620 CB ALA A 42 -8.675 5.997 2.637 1.00 33.43 C ATOM 0 H ALA A 42 -7.761 3.852 1.782 1.00 4.03 H new ATOM 0 HA ALA A 42 -6.736 6.511 1.867 1.00 51.15 H new ATOM 0 HB1 ALA A 42 -8.843 6.969 3.101 1.00 33.43 H new ATOM 0 HB2 ALA A 42 -9.131 5.984 1.647 1.00 33.43 H new ATOM 0 HB3 ALA A 42 -9.124 5.218 3.253 1.00 33.43 H new ATOM 626 N GLN A 43 -6.361 4.708 4.596 1.00 45.40 N ATOM 627 CA GLN A 43 -5.633 4.604 5.882 1.00 54.03 C ATOM 628 C GLN A 43 -4.093 4.651 5.685 1.00 4.04 C ATOM 629 O GLN A 43 -3.362 5.121 6.568 1.00 60.04 O ATOM 630 CB GLN A 43 -6.036 3.310 6.622 1.00 51.22 C ATOM 631 CG GLN A 43 -7.514 3.235 7.035 1.00 24.53 C ATOM 632 CD GLN A 43 -7.891 1.878 7.628 1.00 72.25 C ATOM 633 OE1 GLN A 43 -8.319 0.973 6.918 1.00 73.31 O ATOM 634 NE2 GLN A 43 -7.708 1.720 8.927 1.00 33.34 N ATOM 0 H GLN A 43 -6.778 3.828 4.292 1.00 45.40 H new ATOM 0 HA GLN A 43 -5.913 5.467 6.486 1.00 54.03 H new ATOM 0 HB2 GLN A 43 -5.809 2.457 5.982 1.00 51.22 H new ATOM 0 HB3 GLN A 43 -5.419 3.212 7.515 1.00 51.22 H new ATOM 0 HG2 GLN A 43 -7.723 4.017 7.765 1.00 24.53 H new ATOM 0 HG3 GLN A 43 -8.141 3.434 6.166 1.00 24.53 H new ATOM 0 HE21 GLN A 43 -7.351 2.492 9.489 1.00 33.34 H new ATOM 0 HE22 GLN A 43 -7.924 0.826 9.367 1.00 33.34 H new ATOM 643 N ILE A 44 -3.606 4.126 4.537 1.00 51.13 N ATOM 644 CA ILE A 44 -2.194 4.302 4.113 1.00 51.40 C ATOM 645 C ILE A 44 -1.919 5.804 3.867 1.00 14.11 C ATOM 646 O ILE A 44 -0.865 6.321 4.257 1.00 52.43 O ATOM 647 CB ILE A 44 -1.845 3.471 2.807 1.00 41.12 C ATOM 648 CG1 ILE A 44 -2.101 1.941 3.025 1.00 23.31 C ATOM 649 CG2 ILE A 44 -0.379 3.718 2.344 1.00 65.22 C ATOM 650 CD1 ILE A 44 -1.932 1.074 1.783 1.00 51.21 C ATOM 0 H ILE A 44 -4.168 3.577 3.887 1.00 51.13 H new ATOM 0 HA ILE A 44 -1.558 3.924 4.914 1.00 51.40 H new ATOM 0 HB ILE A 44 -2.509 3.821 2.016 1.00 41.12 H new ATOM 0 HG12 ILE A 44 -1.420 1.581 3.796 1.00 23.31 H new ATOM 0 HG13 ILE A 44 -3.113 1.809 3.407 1.00 23.31 H new ATOM 0 HG21 ILE A 44 -0.177 3.132 1.447 1.00 65.22 H new ATOM 0 HG22 ILE A 44 -0.240 4.777 2.125 1.00 65.22 H new ATOM 0 HG23 ILE A 44 0.308 3.418 3.135 1.00 65.22 H new ATOM 0 HD11 ILE A 44 -2.130 0.033 2.036 1.00 51.21 H new ATOM 0 HD12 ILE A 44 -2.632 1.400 1.014 1.00 51.21 H new ATOM 0 HD13 ILE A 44 -0.912 1.169 1.409 1.00 51.21 H new ATOM 662 N GLU A 45 -2.904 6.490 3.242 1.00 72.03 N ATOM 663 CA GLU A 45 -2.841 7.943 2.988 1.00 15.33 C ATOM 664 C GLU A 45 -2.767 8.747 4.308 1.00 0.23 C ATOM 665 O GLU A 45 -2.014 9.702 4.388 1.00 30.31 O ATOM 666 CB GLU A 45 -4.046 8.419 2.136 1.00 22.55 C ATOM 667 CG GLU A 45 -3.948 9.894 1.665 1.00 4.51 C ATOM 668 CD GLU A 45 -5.241 10.421 1.018 1.00 24.12 C ATOM 669 OE1 GLU A 45 -5.702 9.820 0.035 1.00 41.33 O ATOM 670 OE2 GLU A 45 -5.810 11.421 1.505 1.00 40.12 O ATOM 0 H GLU A 45 -3.760 6.052 2.902 1.00 72.03 H new ATOM 0 HA GLU A 45 -1.927 8.130 2.425 1.00 15.33 H new ATOM 0 HB2 GLU A 45 -4.135 7.775 1.261 1.00 22.55 H new ATOM 0 HB3 GLU A 45 -4.960 8.295 2.718 1.00 22.55 H new ATOM 0 HG2 GLU A 45 -3.696 10.523 2.519 1.00 4.51 H new ATOM 0 HG3 GLU A 45 -3.131 9.985 0.950 1.00 4.51 H new ATOM 677 N GLU A 46 -3.527 8.320 5.345 1.00 54.25 N ATOM 678 CA GLU A 46 -3.484 8.948 6.701 1.00 43.33 C ATOM 679 C GLU A 46 -2.034 9.056 7.235 1.00 32.22 C ATOM 680 O GLU A 46 -1.638 10.079 7.790 1.00 70.53 O ATOM 681 CB GLU A 46 -4.339 8.140 7.720 1.00 61.12 C ATOM 682 CG GLU A 46 -5.843 8.048 7.389 1.00 13.02 C ATOM 683 CD GLU A 46 -6.669 7.156 8.348 1.00 1.22 C ATOM 684 OE1 GLU A 46 -6.094 6.301 9.064 1.00 25.51 O ATOM 685 OE2 GLU A 46 -7.912 7.286 8.369 1.00 11.13 O ATOM 0 H GLU A 46 -4.181 7.541 5.274 1.00 54.25 H new ATOM 0 HA GLU A 46 -3.897 9.951 6.594 1.00 43.33 H new ATOM 0 HB2 GLU A 46 -3.936 7.130 7.788 1.00 61.12 H new ATOM 0 HB3 GLU A 46 -4.227 8.594 8.704 1.00 61.12 H new ATOM 0 HG2 GLU A 46 -6.264 9.053 7.398 1.00 13.02 H new ATOM 0 HG3 GLU A 46 -5.954 7.665 6.374 1.00 13.02 H new ATOM 692 N CYS A 47 -1.263 7.974 7.038 1.00 44.43 N ATOM 693 CA CYS A 47 0.138 7.874 7.500 1.00 53.43 C ATOM 694 C CYS A 47 1.128 8.649 6.584 1.00 10.42 C ATOM 695 O CYS A 47 1.918 9.473 7.061 1.00 3.15 O ATOM 696 CB CYS A 47 0.522 6.380 7.590 1.00 65.31 C ATOM 697 SG CYS A 47 -0.631 5.402 8.587 1.00 23.01 S ATOM 0 H CYS A 47 -1.592 7.139 6.553 1.00 44.43 H new ATOM 0 HA CYS A 47 0.211 8.341 8.482 1.00 53.43 H new ATOM 0 HB2 CYS A 47 0.566 5.962 6.584 1.00 65.31 H new ATOM 0 HB3 CYS A 47 1.522 6.294 8.015 1.00 65.31 H new ATOM 0 HG CYS A 47 -1.734 5.221 7.923 1.00 23.01 H new ATOM 703 N ILE A 48 1.046 8.406 5.257 1.00 22.32 N ATOM 704 CA ILE A 48 2.054 8.903 4.276 1.00 1.53 C ATOM 705 C ILE A 48 1.867 10.416 3.947 1.00 60.14 C ATOM 706 O ILE A 48 2.831 11.105 3.606 1.00 72.54 O ATOM 707 CB ILE A 48 2.041 8.026 2.953 1.00 13.01 C ATOM 708 CG1 ILE A 48 3.319 8.287 2.078 1.00 23.33 C ATOM 709 CG2 ILE A 48 0.748 8.254 2.126 1.00 23.12 C ATOM 710 CD1 ILE A 48 3.435 7.421 0.829 1.00 43.31 C ATOM 0 H ILE A 48 0.291 7.867 4.833 1.00 22.32 H new ATOM 0 HA ILE A 48 3.032 8.800 4.747 1.00 1.53 H new ATOM 0 HB ILE A 48 2.055 6.981 3.263 1.00 13.01 H new ATOM 0 HG12 ILE A 48 3.327 9.335 1.777 1.00 23.33 H new ATOM 0 HG13 ILE A 48 4.202 8.127 2.696 1.00 23.33 H new ATOM 0 HG21 ILE A 48 0.777 7.636 1.228 1.00 23.12 H new ATOM 0 HG22 ILE A 48 -0.120 7.982 2.726 1.00 23.12 H new ATOM 0 HG23 ILE A 48 0.678 9.304 1.842 1.00 23.12 H new ATOM 0 HD11 ILE A 48 4.349 7.676 0.293 1.00 43.31 H new ATOM 0 HD12 ILE A 48 3.464 6.370 1.116 1.00 43.31 H new ATOM 0 HD13 ILE A 48 2.575 7.597 0.183 1.00 43.31 H new ATOM 722 N PHE A 49 0.625 10.925 4.084 1.00 32.12 N ATOM 723 CA PHE A 49 0.289 12.352 3.818 1.00 43.30 C ATOM 724 C PHE A 49 0.920 13.295 4.876 1.00 14.43 C ATOM 725 O PHE A 49 1.194 14.462 4.589 1.00 12.03 O ATOM 726 CB PHE A 49 -1.255 12.544 3.760 1.00 73.03 C ATOM 727 CG PHE A 49 -1.725 13.969 3.443 1.00 33.32 C ATOM 728 CD1 PHE A 49 -1.627 14.478 2.150 1.00 62.03 C ATOM 729 CD2 PHE A 49 -2.240 14.801 4.438 1.00 11.11 C ATOM 730 CE1 PHE A 49 -2.029 15.768 1.865 1.00 12.11 C ATOM 731 CE2 PHE A 49 -2.647 16.087 4.149 1.00 2.22 C ATOM 732 CZ PHE A 49 -2.538 16.574 2.861 1.00 71.24 C ATOM 0 H PHE A 49 -0.175 10.366 4.381 1.00 32.12 H new ATOM 0 HA PHE A 49 0.712 12.619 2.849 1.00 43.30 H new ATOM 0 HB2 PHE A 49 -1.661 11.869 3.007 1.00 73.03 H new ATOM 0 HB3 PHE A 49 -1.679 12.244 4.718 1.00 73.03 H new ATOM 0 HD1 PHE A 49 -1.232 13.856 1.361 1.00 62.03 H new ATOM 0 HD2 PHE A 49 -2.321 14.432 5.450 1.00 11.11 H new ATOM 0 HE1 PHE A 49 -1.944 16.147 0.857 1.00 12.11 H new ATOM 0 HE2 PHE A 49 -3.051 16.714 4.930 1.00 2.22 H new ATOM 0 HZ PHE A 49 -2.850 17.583 2.635 1.00 71.24 H new ATOM 742 N ARG A 50 1.161 12.775 6.093 1.00 75.53 N ATOM 743 CA ARG A 50 1.810 13.551 7.177 1.00 73.22 C ATOM 744 C ARG A 50 3.272 13.910 6.804 1.00 22.13 C ATOM 745 O ARG A 50 3.706 15.051 6.976 1.00 12.24 O ATOM 746 CB ARG A 50 1.779 12.757 8.513 1.00 43.30 C ATOM 747 CG ARG A 50 0.375 12.299 8.960 1.00 4.10 C ATOM 748 CD ARG A 50 0.372 11.602 10.338 1.00 32.43 C ATOM 749 NE ARG A 50 0.692 12.538 11.439 1.00 64.23 N ATOM 750 CZ ARG A 50 1.061 12.193 12.661 1.00 63.32 C ATOM 751 NH1 ARG A 50 1.253 10.953 12.995 1.00 24.53 N ATOM 752 NH2 ARG A 50 1.248 13.111 13.547 1.00 5.02 N ATOM 0 H ARG A 50 0.917 11.820 6.355 1.00 75.53 H new ATOM 0 HA ARG A 50 1.250 14.477 7.306 1.00 73.22 H new ATOM 0 HB2 ARG A 50 2.418 11.879 8.413 1.00 43.30 H new ATOM 0 HB3 ARG A 50 2.211 13.377 9.298 1.00 43.30 H new ATOM 0 HG2 ARG A 50 -0.288 13.164 8.996 1.00 4.10 H new ATOM 0 HG3 ARG A 50 -0.032 11.616 8.214 1.00 4.10 H new ATOM 0 HD2 ARG A 50 -0.607 11.156 10.515 1.00 32.43 H new ATOM 0 HD3 ARG A 50 1.097 10.788 10.333 1.00 32.43 H new ATOM 0 HE ARG A 50 0.622 13.535 11.238 1.00 64.23 H new ATOM 0 HH11 ARG A 50 1.119 10.213 12.306 1.00 24.53 H new ATOM 0 HH12 ARG A 50 1.537 10.719 13.946 1.00 24.53 H new ATOM 0 HH21 ARG A 50 1.111 14.092 13.302 1.00 5.02 H new ATOM 0 HH22 ARG A 50 1.533 12.857 14.493 1.00 5.02 H new ATOM 766 N ASP A 51 4.001 12.923 6.253 1.00 13.04 N ATOM 767 CA ASP A 51 5.436 13.053 5.906 1.00 45.21 C ATOM 768 C ASP A 51 5.644 13.672 4.495 1.00 65.01 C ATOM 769 O ASP A 51 6.332 14.689 4.332 1.00 72.22 O ATOM 770 CB ASP A 51 6.089 11.646 5.998 1.00 41.03 C ATOM 771 CG ASP A 51 7.603 11.653 5.726 1.00 2.30 C ATOM 772 OD1 ASP A 51 8.378 12.008 6.637 1.00 42.02 O ATOM 773 OD2 ASP A 51 8.024 11.329 4.596 1.00 21.43 O ATOM 0 H ASP A 51 3.613 12.006 6.033 1.00 13.04 H new ATOM 0 HA ASP A 51 5.911 13.736 6.611 1.00 45.21 H new ATOM 0 HB2 ASP A 51 5.908 11.235 6.991 1.00 41.03 H new ATOM 0 HB3 ASP A 51 5.603 10.981 5.284 1.00 41.03 H new ATOM 778 N VAL A 52 5.014 13.052 3.489 1.00 2.13 N ATOM 779 CA VAL A 52 5.251 13.341 2.048 1.00 63.43 C ATOM 780 C VAL A 52 4.168 14.277 1.438 1.00 25.22 C ATOM 781 O VAL A 52 4.371 14.848 0.358 1.00 13.53 O ATOM 782 CB VAL A 52 5.287 11.994 1.212 1.00 24.44 C ATOM 783 CG1 VAL A 52 6.011 12.179 -0.137 1.00 70.32 C ATOM 784 CG2 VAL A 52 5.922 10.841 2.007 1.00 33.53 C ATOM 0 H VAL A 52 4.315 12.325 3.643 1.00 2.13 H new ATOM 0 HA VAL A 52 6.212 13.851 1.992 1.00 63.43 H new ATOM 0 HB VAL A 52 4.250 11.729 1.008 1.00 24.44 H new ATOM 0 HG11 VAL A 52 6.015 11.234 -0.680 1.00 70.32 H new ATOM 0 HG12 VAL A 52 5.493 12.935 -0.727 1.00 70.32 H new ATOM 0 HG13 VAL A 52 7.038 12.499 0.042 1.00 70.32 H new ATOM 0 HG21 VAL A 52 5.926 9.938 1.397 1.00 33.53 H new ATOM 0 HG22 VAL A 52 6.946 11.104 2.274 1.00 33.53 H new ATOM 0 HG23 VAL A 52 5.345 10.663 2.914 1.00 33.53 H new ATOM 794 N GLY A 53 3.036 14.455 2.154 1.00 41.42 N ATOM 795 CA GLY A 53 1.832 15.118 1.604 1.00 32.11 C ATOM 796 C GLY A 53 1.884 16.650 1.487 1.00 52.02 C ATOM 797 O GLY A 53 0.846 17.316 1.515 1.00 23.34 O ATOM 0 H GLY A 53 2.931 14.147 3.121 1.00 41.42 H new ATOM 0 HA2 GLY A 53 1.639 14.707 0.613 1.00 32.11 H new ATOM 0 HA3 GLY A 53 0.980 14.853 2.231 1.00 32.11 H new ATOM 801 N ASN A 54 3.092 17.200 1.326 1.00 15.41 N ATOM 802 CA ASN A 54 3.324 18.623 0.986 1.00 50.44 C ATOM 803 C ASN A 54 3.096 18.913 -0.535 1.00 53.02 C ATOM 804 O ASN A 54 3.383 20.014 -1.001 1.00 11.14 O ATOM 805 CB ASN A 54 4.758 19.015 1.433 1.00 42.40 C ATOM 806 CG ASN A 54 5.828 18.030 0.947 1.00 30.23 C ATOM 807 OD1 ASN A 54 6.161 17.065 1.626 1.00 33.32 O ATOM 808 ND2 ASN A 54 6.363 18.251 -0.227 1.00 74.51 N ATOM 0 H ASN A 54 3.956 16.667 1.428 1.00 15.41 H new ATOM 0 HA ASN A 54 2.596 19.235 1.518 1.00 50.44 H new ATOM 0 HB2 ASN A 54 4.991 20.011 1.056 1.00 42.40 H new ATOM 0 HB3 ASN A 54 4.791 19.071 2.521 1.00 42.40 H new ATOM 0 HD21 ASN A 54 7.071 17.614 -0.593 1.00 74.51 H new ATOM 0 HD22 ASN A 54 6.072 19.060 -0.776 1.00 74.51 H new ATOM 815 N THR A 55 2.609 17.884 -1.281 1.00 32.35 N ATOM 816 CA THR A 55 2.145 17.964 -2.708 1.00 64.01 C ATOM 817 C THR A 55 3.275 18.274 -3.730 1.00 35.11 C ATOM 818 O THR A 55 2.995 18.568 -4.895 1.00 63.23 O ATOM 819 CB THR A 55 0.922 18.948 -2.936 1.00 13.02 C ATOM 820 OG1 THR A 55 1.329 20.324 -2.818 1.00 3.14 O ATOM 821 CG2 THR A 55 -0.241 18.661 -1.961 1.00 15.15 C ATOM 0 H THR A 55 2.523 16.942 -0.900 1.00 32.35 H new ATOM 0 HA THR A 55 1.795 16.951 -2.904 1.00 64.01 H new ATOM 0 HB THR A 55 0.566 18.771 -3.951 1.00 13.02 H new ATOM 0 HG1 THR A 55 2.075 20.391 -2.186 1.00 3.14 H new ATOM 0 HG21 THR A 55 -1.057 19.358 -2.153 1.00 15.15 H new ATOM 0 HG22 THR A 55 -0.594 17.640 -2.106 1.00 15.15 H new ATOM 0 HG23 THR A 55 0.106 18.782 -0.935 1.00 15.15 H new ATOM 829 N ASP A 56 4.546 18.155 -3.300 1.00 64.23 N ATOM 830 CA ASP A 56 5.730 18.263 -4.198 1.00 4.34 C ATOM 831 C ASP A 56 5.820 17.015 -5.135 1.00 31.35 C ATOM 832 O ASP A 56 5.068 16.047 -4.965 1.00 2.04 O ATOM 833 CB ASP A 56 7.003 18.423 -3.313 1.00 5.42 C ATOM 834 CG ASP A 56 8.317 18.614 -4.092 1.00 4.33 C ATOM 835 OD1 ASP A 56 8.621 19.754 -4.485 1.00 23.40 O ATOM 836 OD2 ASP A 56 9.030 17.617 -4.347 1.00 41.40 O ATOM 0 H ASP A 56 4.789 17.982 -2.325 1.00 64.23 H new ATOM 0 HA ASP A 56 5.640 19.135 -4.846 1.00 4.34 H new ATOM 0 HB2 ASP A 56 6.862 19.278 -2.652 1.00 5.42 H new ATOM 0 HB3 ASP A 56 7.099 17.542 -2.678 1.00 5.42 H new ATOM 841 N MET A 57 6.728 17.052 -6.135 1.00 55.25 N ATOM 842 CA MET A 57 6.978 15.914 -7.064 1.00 50.54 C ATOM 843 C MET A 57 7.381 14.610 -6.314 1.00 70.44 C ATOM 844 O MET A 57 7.166 13.510 -6.829 1.00 2.52 O ATOM 845 CB MET A 57 8.071 16.297 -8.092 1.00 65.34 C ATOM 846 CG MET A 57 7.717 17.510 -8.962 1.00 1.31 C ATOM 847 SD MET A 57 6.193 17.265 -9.908 1.00 62.00 S ATOM 848 CE MET A 57 6.022 18.847 -10.733 1.00 24.40 C ATOM 0 H MET A 57 7.310 17.868 -6.326 1.00 55.25 H new ATOM 0 HA MET A 57 6.041 15.710 -7.583 1.00 50.54 H new ATOM 0 HB2 MET A 57 8.999 16.504 -7.559 1.00 65.34 H new ATOM 0 HB3 MET A 57 8.260 15.441 -8.740 1.00 65.34 H new ATOM 0 HG2 MET A 57 7.609 18.389 -8.327 1.00 1.31 H new ATOM 0 HG3 MET A 57 8.539 17.712 -9.649 1.00 1.31 H new ATOM 0 HE1 MET A 57 5.124 18.840 -11.351 1.00 24.40 H new ATOM 0 HE2 MET A 57 5.943 19.639 -9.988 1.00 24.40 H new ATOM 0 HE3 MET A 57 6.894 19.026 -11.362 1.00 24.40 H new ATOM 858 N LYS A 58 7.968 14.759 -5.102 1.00 2.23 N ATOM 859 CA LYS A 58 8.265 13.621 -4.189 1.00 63.14 C ATOM 860 C LYS A 58 6.984 12.836 -3.803 1.00 54.31 C ATOM 861 O LYS A 58 7.018 11.623 -3.671 1.00 65.52 O ATOM 862 CB LYS A 58 8.973 14.107 -2.883 1.00 13.14 C ATOM 863 CG LYS A 58 8.177 15.156 -2.043 1.00 65.44 C ATOM 864 CD LYS A 58 8.295 14.995 -0.499 1.00 60.42 C ATOM 865 CE LYS A 58 9.692 15.259 0.090 1.00 65.22 C ATOM 866 NZ LYS A 58 10.704 14.235 -0.294 1.00 14.44 N ATOM 0 H LYS A 58 8.249 15.665 -4.728 1.00 2.23 H new ATOM 0 HA LYS A 58 8.932 12.957 -4.739 1.00 63.14 H new ATOM 0 HB2 LYS A 58 9.174 13.240 -2.254 1.00 13.14 H new ATOM 0 HB3 LYS A 58 9.938 14.537 -3.151 1.00 13.14 H new ATOM 0 HG2 LYS A 58 8.522 16.153 -2.316 1.00 65.44 H new ATOM 0 HG3 LYS A 58 7.124 15.096 -2.319 1.00 65.44 H new ATOM 0 HD2 LYS A 58 7.586 15.674 -0.025 1.00 60.42 H new ATOM 0 HD3 LYS A 58 7.993 13.982 -0.233 1.00 60.42 H new ATOM 0 HE2 LYS A 58 10.037 16.239 -0.239 1.00 65.22 H new ATOM 0 HE3 LYS A 58 9.618 15.295 1.177 1.00 65.22 H new ATOM 0 HZ1 LYS A 58 11.483 14.241 0.395 1.00 14.44 H new ATOM 0 HZ2 LYS A 58 10.259 13.295 -0.306 1.00 14.44 H new ATOM 0 HZ3 LYS A 58 11.077 14.453 -1.240 1.00 14.44 H new ATOM 880 N TYR A 59 5.863 13.560 -3.625 1.00 4.13 N ATOM 881 CA TYR A 59 4.564 12.977 -3.211 1.00 64.43 C ATOM 882 C TYR A 59 3.933 12.140 -4.341 1.00 61.30 C ATOM 883 O TYR A 59 3.335 11.103 -4.091 1.00 62.12 O ATOM 884 CB TYR A 59 3.627 14.121 -2.733 1.00 50.32 C ATOM 885 CG TYR A 59 2.219 13.713 -2.242 1.00 51.04 C ATOM 886 CD1 TYR A 59 2.035 12.709 -1.277 1.00 21.44 C ATOM 887 CD2 TYR A 59 1.071 14.354 -2.726 1.00 12.44 C ATOM 888 CE1 TYR A 59 0.767 12.364 -0.827 1.00 1.21 C ATOM 889 CE2 TYR A 59 -0.190 14.013 -2.275 1.00 13.42 C ATOM 890 CZ TYR A 59 -0.340 13.021 -1.326 1.00 51.51 C ATOM 891 OH TYR A 59 -1.603 12.689 -0.882 1.00 35.22 O ATOM 0 H TYR A 59 5.828 14.570 -3.764 1.00 4.13 H new ATOM 0 HA TYR A 59 4.724 12.288 -2.382 1.00 64.43 H new ATOM 0 HB2 TYR A 59 4.127 14.653 -1.924 1.00 50.32 H new ATOM 0 HB3 TYR A 59 3.508 14.828 -3.554 1.00 50.32 H new ATOM 0 HD1 TYR A 59 2.897 12.195 -0.877 1.00 21.44 H new ATOM 0 HD2 TYR A 59 1.174 15.132 -3.468 1.00 12.44 H new ATOM 0 HE1 TYR A 59 0.647 11.584 -0.089 1.00 1.21 H new ATOM 0 HE2 TYR A 59 -1.059 14.523 -2.665 1.00 13.42 H new ATOM 0 HH TYR A 59 -2.267 13.249 -1.336 1.00 35.22 H new ATOM 901 N LYS A 60 4.087 12.605 -5.581 1.00 63.33 N ATOM 902 CA LYS A 60 3.607 11.879 -6.777 1.00 61.44 C ATOM 903 C LYS A 60 4.511 10.655 -7.096 1.00 30.31 C ATOM 904 O LYS A 60 4.012 9.580 -7.441 1.00 43.33 O ATOM 905 CB LYS A 60 3.506 12.845 -8.000 1.00 12.43 C ATOM 906 CG LYS A 60 2.329 13.866 -7.943 1.00 54.33 C ATOM 907 CD LYS A 60 2.430 14.896 -6.787 1.00 33.23 C ATOM 908 CE LYS A 60 1.250 15.889 -6.757 1.00 11.44 C ATOM 909 NZ LYS A 60 1.183 16.717 -7.990 1.00 14.34 N ATOM 0 H LYS A 60 4.545 13.491 -5.794 1.00 63.33 H new ATOM 0 HA LYS A 60 2.609 11.497 -6.564 1.00 61.44 H new ATOM 0 HB2 LYS A 60 4.442 13.398 -8.085 1.00 12.43 H new ATOM 0 HB3 LYS A 60 3.405 12.248 -8.907 1.00 12.43 H new ATOM 0 HG2 LYS A 60 2.284 14.404 -8.890 1.00 54.33 H new ATOM 0 HG3 LYS A 60 1.392 13.317 -7.844 1.00 54.33 H new ATOM 0 HD2 LYS A 60 2.473 14.364 -5.837 1.00 33.23 H new ATOM 0 HD3 LYS A 60 3.363 15.452 -6.884 1.00 33.23 H new ATOM 0 HE2 LYS A 60 0.317 15.338 -6.640 1.00 11.44 H new ATOM 0 HE3 LYS A 60 1.347 16.540 -5.888 1.00 11.44 H new ATOM 0 HZ1 LYS A 60 0.452 17.448 -7.878 1.00 14.34 H new ATOM 0 HZ2 LYS A 60 2.104 17.171 -8.154 1.00 14.34 H new ATOM 0 HZ3 LYS A 60 0.946 16.112 -8.802 1.00 14.34 H new ATOM 923 N ASN A 61 5.845 10.834 -6.943 1.00 2.35 N ATOM 924 CA ASN A 61 6.866 9.810 -7.291 1.00 41.24 C ATOM 925 C ASN A 61 6.914 8.647 -6.265 1.00 41.04 C ATOM 926 O ASN A 61 6.867 7.476 -6.645 1.00 1.44 O ATOM 927 CB ASN A 61 8.262 10.482 -7.392 1.00 74.11 C ATOM 928 CG ASN A 61 9.408 9.519 -7.736 1.00 50.34 C ATOM 929 OD1 ASN A 61 9.229 8.539 -8.446 1.00 62.33 O ATOM 930 ND2 ASN A 61 10.594 9.788 -7.228 1.00 34.52 N ATOM 0 H ASN A 61 6.247 11.695 -6.573 1.00 2.35 H new ATOM 0 HA ASN A 61 6.584 9.380 -8.252 1.00 41.24 H new ATOM 0 HB2 ASN A 61 8.221 11.264 -8.150 1.00 74.11 H new ATOM 0 HB3 ASN A 61 8.486 10.970 -6.443 1.00 74.11 H new ATOM 0 HD21 ASN A 61 11.384 9.174 -7.425 1.00 34.52 H new ATOM 0 HD22 ASN A 61 10.722 10.610 -6.638 1.00 34.52 H new ATOM 937 N ARG A 62 7.014 8.992 -4.969 1.00 34.23 N ATOM 938 CA ARG A 62 7.162 7.997 -3.875 1.00 4.15 C ATOM 939 C ARG A 62 5.911 7.093 -3.747 1.00 62.03 C ATOM 940 O ARG A 62 6.026 5.897 -3.438 1.00 5.03 O ATOM 941 CB ARG A 62 7.470 8.724 -2.533 1.00 64.20 C ATOM 942 CG ARG A 62 7.754 7.797 -1.326 1.00 62.43 C ATOM 943 CD ARG A 62 8.144 8.577 -0.055 1.00 44.43 C ATOM 944 NE ARG A 62 8.368 7.678 1.088 1.00 15.43 N ATOM 945 CZ ARG A 62 8.616 8.054 2.325 1.00 71.11 C ATOM 946 NH1 ARG A 62 8.747 9.307 2.642 1.00 23.40 N ATOM 947 NH2 ARG A 62 8.750 7.157 3.238 1.00 72.30 N ATOM 0 H ARG A 62 6.995 9.959 -4.645 1.00 34.23 H new ATOM 0 HA ARG A 62 8.000 7.344 -4.121 1.00 4.15 H new ATOM 0 HB2 ARG A 62 8.332 9.374 -2.681 1.00 64.20 H new ATOM 0 HB3 ARG A 62 6.625 9.367 -2.285 1.00 64.20 H new ATOM 0 HG2 ARG A 62 6.869 7.194 -1.120 1.00 62.43 H new ATOM 0 HG3 ARG A 62 8.557 7.107 -1.584 1.00 62.43 H new ATOM 0 HD2 ARG A 62 9.048 9.155 -0.246 1.00 44.43 H new ATOM 0 HD3 ARG A 62 7.356 9.289 0.191 1.00 44.43 H new ATOM 0 HE ARG A 62 8.328 6.675 0.906 1.00 15.43 H new ATOM 0 HH11 ARG A 62 8.658 10.027 1.925 1.00 23.40 H new ATOM 0 HH12 ARG A 62 8.939 9.571 3.608 1.00 23.40 H new ATOM 0 HH21 ARG A 62 8.664 6.169 2.999 1.00 72.30 H new ATOM 0 HH22 ARG A 62 8.942 7.434 4.201 1.00 72.30 H new ATOM 961 N VAL A 63 4.724 7.675 -4.005 1.00 20.24 N ATOM 962 CA VAL A 63 3.453 6.924 -4.041 1.00 61.20 C ATOM 963 C VAL A 63 3.422 5.940 -5.249 1.00 15.12 C ATOM 964 O VAL A 63 3.256 4.741 -5.039 1.00 25.22 O ATOM 965 CB VAL A 63 2.208 7.908 -4.048 1.00 13.53 C ATOM 966 CG1 VAL A 63 0.876 7.180 -4.358 1.00 21.21 C ATOM 967 CG2 VAL A 63 2.107 8.660 -2.693 1.00 24.55 C ATOM 0 H VAL A 63 4.618 8.672 -4.193 1.00 20.24 H new ATOM 0 HA VAL A 63 3.385 6.326 -3.132 1.00 61.20 H new ATOM 0 HB VAL A 63 2.374 8.626 -4.851 1.00 13.53 H new ATOM 0 HG11 VAL A 63 0.058 7.900 -4.350 1.00 21.21 H new ATOM 0 HG12 VAL A 63 0.938 6.711 -5.340 1.00 21.21 H new ATOM 0 HG13 VAL A 63 0.694 6.416 -3.602 1.00 21.21 H new ATOM 0 HG21 VAL A 63 1.248 9.331 -2.713 1.00 24.55 H new ATOM 0 HG22 VAL A 63 1.985 7.939 -1.885 1.00 24.55 H new ATOM 0 HG23 VAL A 63 3.016 9.238 -2.529 1.00 24.55 H new ATOM 977 N ARG A 64 3.638 6.443 -6.496 1.00 20.31 N ATOM 978 CA ARG A 64 3.546 5.602 -7.737 1.00 21.42 C ATOM 979 C ARG A 64 4.614 4.472 -7.781 1.00 74.22 C ATOM 980 O ARG A 64 4.355 3.385 -8.307 1.00 54.00 O ATOM 981 CB ARG A 64 3.628 6.469 -9.026 1.00 72.31 C ATOM 982 CG ARG A 64 5.007 7.108 -9.311 1.00 22.34 C ATOM 983 CD ARG A 64 5.010 7.998 -10.566 1.00 34.04 C ATOM 984 NE ARG A 64 3.995 9.071 -10.483 1.00 2.21 N ATOM 985 CZ ARG A 64 4.007 10.196 -11.159 1.00 63.20 C ATOM 986 NH1 ARG A 64 4.989 10.516 -11.940 1.00 1.31 N ATOM 987 NH2 ARG A 64 3.009 11.004 -11.047 1.00 64.13 N ATOM 0 H ARG A 64 3.876 7.419 -6.675 1.00 20.31 H new ATOM 0 HA ARG A 64 2.567 5.124 -7.700 1.00 21.42 H new ATOM 0 HB2 ARG A 64 3.351 5.849 -9.878 1.00 72.31 H new ATOM 0 HB3 ARG A 64 2.886 7.264 -8.956 1.00 72.31 H new ATOM 0 HG2 ARG A 64 5.310 7.703 -8.450 1.00 22.34 H new ATOM 0 HG3 ARG A 64 5.749 6.319 -9.430 1.00 22.34 H new ATOM 0 HD2 ARG A 64 5.997 8.441 -10.694 1.00 34.04 H new ATOM 0 HD3 ARG A 64 4.819 7.385 -11.447 1.00 34.04 H new ATOM 0 HE ARG A 64 3.215 8.923 -9.842 1.00 2.21 H new ATOM 0 HH11 ARG A 64 5.784 9.886 -12.044 1.00 1.31 H new ATOM 0 HH12 ARG A 64 4.967 11.398 -12.451 1.00 1.31 H new ATOM 0 HH21 ARG A 64 2.225 10.765 -10.440 1.00 64.13 H new ATOM 0 HH22 ARG A 64 3.003 11.882 -11.566 1.00 64.13 H new ATOM 1001 N SER A 65 5.802 4.743 -7.216 1.00 32.42 N ATOM 1002 CA SER A 65 6.903 3.752 -7.115 1.00 71.45 C ATOM 1003 C SER A 65 6.530 2.602 -6.152 1.00 61.54 C ATOM 1004 O SER A 65 6.864 1.434 -6.382 1.00 1.04 O ATOM 1005 CB SER A 65 8.195 4.446 -6.625 1.00 40.41 C ATOM 1006 OG SER A 65 9.287 3.539 -6.547 1.00 62.05 O ATOM 0 H SER A 65 6.033 5.652 -6.815 1.00 32.42 H new ATOM 0 HA SER A 65 7.070 3.329 -8.106 1.00 71.45 H new ATOM 0 HB2 SER A 65 8.448 5.262 -7.302 1.00 40.41 H new ATOM 0 HB3 SER A 65 8.020 4.889 -5.644 1.00 40.41 H new ATOM 0 HG SER A 65 10.085 4.014 -6.235 1.00 62.05 H new ATOM 1012 N ARG A 66 5.810 2.969 -5.082 1.00 62.50 N ATOM 1013 CA ARG A 66 5.360 2.029 -4.036 1.00 65.32 C ATOM 1014 C ARG A 66 4.198 1.137 -4.553 1.00 65.11 C ATOM 1015 O ARG A 66 4.102 -0.039 -4.204 1.00 20.23 O ATOM 1016 CB ARG A 66 4.932 2.854 -2.794 1.00 53.31 C ATOM 1017 CG ARG A 66 4.954 2.090 -1.457 1.00 11.34 C ATOM 1018 CD ARG A 66 4.673 3.024 -0.259 1.00 14.45 C ATOM 1019 NE ARG A 66 5.208 2.474 0.988 1.00 73.14 N ATOM 1020 CZ ARG A 66 6.392 2.756 1.502 1.00 62.33 C ATOM 1021 NH1 ARG A 66 7.223 3.556 0.909 1.00 2.22 N ATOM 1022 NH2 ARG A 66 6.736 2.216 2.609 1.00 15.32 N ATOM 0 H ARG A 66 5.520 3.932 -4.914 1.00 62.50 H new ATOM 0 HA ARG A 66 6.174 1.357 -3.764 1.00 65.32 H new ATOM 0 HB2 ARG A 66 5.589 3.720 -2.710 1.00 53.31 H new ATOM 0 HB3 ARG A 66 3.924 3.233 -2.960 1.00 53.31 H new ATOM 0 HG2 ARG A 66 4.209 1.294 -1.480 1.00 11.34 H new ATOM 0 HG3 ARG A 66 5.926 1.613 -1.326 1.00 11.34 H new ATOM 0 HD2 ARG A 66 5.117 4.002 -0.447 1.00 14.45 H new ATOM 0 HD3 ARG A 66 3.598 3.176 -0.159 1.00 14.45 H new ATOM 0 HE ARG A 66 4.618 1.819 1.502 1.00 73.14 H new ATOM 0 HH11 ARG A 66 6.969 3.987 0.020 1.00 2.22 H new ATOM 0 HH12 ARG A 66 8.130 3.754 1.332 1.00 2.22 H new ATOM 0 HH21 ARG A 66 6.099 1.576 3.084 1.00 15.32 H new ATOM 0 HH22 ARG A 66 7.647 2.425 3.017 1.00 15.32 H new ATOM 1036 N ILE A 67 3.328 1.745 -5.384 1.00 63.12 N ATOM 1037 CA ILE A 67 2.242 1.058 -6.138 1.00 24.35 C ATOM 1038 C ILE A 67 2.811 -0.012 -7.093 1.00 73.54 C ATOM 1039 O ILE A 67 2.299 -1.138 -7.161 1.00 51.20 O ATOM 1040 CB ILE A 67 1.433 2.137 -6.955 1.00 21.02 C ATOM 1041 CG1 ILE A 67 0.718 3.114 -5.977 1.00 31.22 C ATOM 1042 CG2 ILE A 67 0.426 1.521 -7.968 1.00 62.54 C ATOM 1043 CD1 ILE A 67 0.217 4.379 -6.622 1.00 62.50 C ATOM 0 H ILE A 67 3.355 2.750 -5.559 1.00 63.12 H new ATOM 0 HA ILE A 67 1.586 0.551 -5.430 1.00 24.35 H new ATOM 0 HB ILE A 67 2.155 2.688 -7.558 1.00 21.02 H new ATOM 0 HG12 ILE A 67 -0.124 2.597 -5.516 1.00 31.22 H new ATOM 0 HG13 ILE A 67 1.408 3.377 -5.175 1.00 31.22 H new ATOM 0 HG21 ILE A 67 -0.095 2.320 -8.495 1.00 62.54 H new ATOM 0 HG22 ILE A 67 0.965 0.904 -8.687 1.00 62.54 H new ATOM 0 HG23 ILE A 67 -0.298 0.906 -7.433 1.00 62.54 H new ATOM 0 HD11 ILE A 67 -0.268 5.003 -5.871 1.00 62.50 H new ATOM 0 HD12 ILE A 67 1.056 4.922 -7.058 1.00 62.50 H new ATOM 0 HD13 ILE A 67 -0.500 4.129 -7.404 1.00 62.50 H new ATOM 1055 N SER A 68 3.881 0.369 -7.818 1.00 53.15 N ATOM 1056 CA SER A 68 4.618 -0.535 -8.729 1.00 33.23 C ATOM 1057 C SER A 68 5.197 -1.741 -7.951 1.00 32.34 C ATOM 1058 O SER A 68 5.135 -2.872 -8.418 1.00 11.34 O ATOM 1059 CB SER A 68 5.747 0.240 -9.453 1.00 30.14 C ATOM 1060 OG SER A 68 6.406 -0.567 -10.416 1.00 45.25 O ATOM 0 H SER A 68 4.261 1.315 -7.790 1.00 53.15 H new ATOM 0 HA SER A 68 3.923 -0.916 -9.477 1.00 33.23 H new ATOM 0 HB2 SER A 68 5.328 1.120 -9.941 1.00 30.14 H new ATOM 0 HB3 SER A 68 6.471 0.596 -8.720 1.00 30.14 H new ATOM 0 HG SER A 68 7.111 -0.045 -10.853 1.00 45.25 H new ATOM 1066 N ASN A 69 5.719 -1.453 -6.741 1.00 31.24 N ATOM 1067 CA ASN A 69 6.245 -2.459 -5.782 1.00 30.35 C ATOM 1068 C ASN A 69 5.136 -3.424 -5.252 1.00 50.02 C ATOM 1069 O ASN A 69 5.391 -4.617 -5.046 1.00 14.32 O ATOM 1070 CB ASN A 69 6.980 -1.690 -4.631 1.00 35.21 C ATOM 1071 CG ASN A 69 6.960 -2.377 -3.270 1.00 53.25 C ATOM 1072 OD1 ASN A 69 7.811 -3.201 -2.952 1.00 11.35 O ATOM 1073 ND2 ASN A 69 5.996 -2.009 -2.445 1.00 44.14 N ATOM 0 H ASN A 69 5.790 -0.497 -6.392 1.00 31.24 H new ATOM 0 HA ASN A 69 6.952 -3.113 -6.291 1.00 30.35 H new ATOM 0 HB2 ASN A 69 8.018 -1.535 -4.926 1.00 35.21 H new ATOM 0 HB3 ASN A 69 6.527 -0.704 -4.528 1.00 35.21 H new ATOM 0 HD21 ASN A 69 5.943 -2.413 -1.510 1.00 44.14 H new ATOM 0 HD22 ASN A 69 5.305 -1.321 -2.743 1.00 44.14 H new ATOM 1080 N LEU A 70 3.915 -2.895 -5.041 1.00 2.24 N ATOM 1081 CA LEU A 70 2.750 -3.695 -4.574 1.00 75.55 C ATOM 1082 C LEU A 70 2.297 -4.736 -5.633 1.00 4.24 C ATOM 1083 O LEU A 70 1.932 -5.867 -5.293 1.00 23.32 O ATOM 1084 CB LEU A 70 1.575 -2.746 -4.196 1.00 75.41 C ATOM 1085 CG LEU A 70 1.787 -1.879 -2.908 1.00 11.45 C ATOM 1086 CD1 LEU A 70 0.688 -0.799 -2.752 1.00 31.32 C ATOM 1087 CD2 LEU A 70 1.861 -2.776 -1.652 1.00 51.41 C ATOM 0 H LEU A 70 3.702 -1.908 -5.186 1.00 2.24 H new ATOM 0 HA LEU A 70 3.059 -4.254 -3.691 1.00 75.55 H new ATOM 0 HB2 LEU A 70 1.389 -2.076 -5.036 1.00 75.41 H new ATOM 0 HB3 LEU A 70 0.676 -3.347 -4.063 1.00 75.41 H new ATOM 0 HG LEU A 70 2.738 -1.358 -3.017 1.00 11.45 H new ATOM 0 HD11 LEU A 70 0.872 -0.220 -1.847 1.00 31.32 H new ATOM 0 HD12 LEU A 70 0.705 -0.135 -3.617 1.00 31.32 H new ATOM 0 HD13 LEU A 70 -0.288 -1.280 -2.683 1.00 31.32 H new ATOM 0 HD21 LEU A 70 2.008 -2.154 -0.769 1.00 51.41 H new ATOM 0 HD22 LEU A 70 0.932 -3.337 -1.550 1.00 51.41 H new ATOM 0 HD23 LEU A 70 2.695 -3.471 -1.750 1.00 51.41 H new ATOM 1099 N LYS A 71 2.333 -4.341 -6.915 1.00 24.11 N ATOM 1100 CA LYS A 71 1.944 -5.217 -8.057 1.00 3.42 C ATOM 1101 C LYS A 71 3.180 -5.874 -8.740 1.00 50.33 C ATOM 1102 O LYS A 71 3.035 -6.525 -9.783 1.00 62.31 O ATOM 1103 CB LYS A 71 1.134 -4.394 -9.102 1.00 11.02 C ATOM 1104 CG LYS A 71 1.919 -3.217 -9.740 1.00 12.55 C ATOM 1105 CD LYS A 71 1.140 -2.493 -10.863 1.00 31.40 C ATOM 1106 CE LYS A 71 -0.170 -1.844 -10.386 1.00 60.24 C ATOM 1107 NZ LYS A 71 -0.882 -1.172 -11.506 1.00 23.13 N ATOM 0 H LYS A 71 2.631 -3.408 -7.201 1.00 24.11 H new ATOM 0 HA LYS A 71 1.325 -6.021 -7.659 1.00 3.42 H new ATOM 0 HB2 LYS A 71 0.801 -5.064 -9.894 1.00 11.02 H new ATOM 0 HB3 LYS A 71 0.239 -3.999 -8.621 1.00 11.02 H new ATOM 0 HG2 LYS A 71 2.174 -2.497 -8.963 1.00 12.55 H new ATOM 0 HG3 LYS A 71 2.858 -3.594 -10.145 1.00 12.55 H new ATOM 0 HD2 LYS A 71 1.778 -1.724 -11.299 1.00 31.40 H new ATOM 0 HD3 LYS A 71 0.914 -3.207 -11.655 1.00 31.40 H new ATOM 0 HE2 LYS A 71 -0.816 -2.604 -9.947 1.00 60.24 H new ATOM 0 HE3 LYS A 71 0.046 -1.118 -9.602 1.00 60.24 H new ATOM 0 HZ1 LYS A 71 -1.761 -0.744 -11.152 1.00 23.13 H new ATOM 0 HZ2 LYS A 71 -0.274 -0.430 -11.909 1.00 23.13 H new ATOM 0 HZ3 LYS A 71 -1.109 -1.871 -12.242 1.00 23.13 H new ATOM 1121 N ASP A 72 4.376 -5.721 -8.131 1.00 2.30 N ATOM 1122 CA ASP A 72 5.664 -6.152 -8.733 1.00 22.11 C ATOM 1123 C ASP A 72 5.785 -7.698 -8.811 1.00 51.23 C ATOM 1124 O ASP A 72 5.230 -8.415 -7.980 1.00 13.14 O ATOM 1125 CB ASP A 72 6.838 -5.546 -7.922 1.00 60.31 C ATOM 1126 CG ASP A 72 8.191 -5.636 -8.640 1.00 22.22 C ATOM 1127 OD1 ASP A 72 8.510 -4.738 -9.446 1.00 43.43 O ATOM 1128 OD2 ASP A 72 8.926 -6.607 -8.419 1.00 1.34 O ATOM 0 H ASP A 72 4.479 -5.296 -7.209 1.00 2.30 H new ATOM 0 HA ASP A 72 5.701 -5.785 -9.759 1.00 22.11 H new ATOM 0 HB2 ASP A 72 6.619 -4.500 -7.707 1.00 60.31 H new ATOM 0 HB3 ASP A 72 6.910 -6.060 -6.963 1.00 60.31 H new ATOM 1133 N ALA A 73 6.542 -8.184 -9.815 1.00 44.01 N ATOM 1134 CA ALA A 73 6.689 -9.629 -10.106 1.00 74.34 C ATOM 1135 C ALA A 73 7.624 -10.357 -9.105 1.00 34.42 C ATOM 1136 O ALA A 73 7.508 -11.575 -8.925 1.00 10.43 O ATOM 1137 CB ALA A 73 7.185 -9.816 -11.548 1.00 4.24 C ATOM 0 H ALA A 73 7.071 -7.586 -10.450 1.00 44.01 H new ATOM 0 HA ALA A 73 5.706 -10.086 -9.991 1.00 74.34 H new ATOM 0 HB1 ALA A 73 7.293 -10.880 -11.761 1.00 4.24 H new ATOM 0 HB2 ALA A 73 6.465 -9.379 -12.240 1.00 4.24 H new ATOM 0 HB3 ALA A 73 8.149 -9.323 -11.668 1.00 4.24 H new ATOM 1143 N LYS A 74 8.552 -9.611 -8.472 1.00 75.10 N ATOM 1144 CA LYS A 74 9.490 -10.173 -7.467 1.00 20.14 C ATOM 1145 C LYS A 74 8.756 -10.565 -6.166 1.00 4.43 C ATOM 1146 O LYS A 74 9.027 -11.626 -5.597 1.00 72.44 O ATOM 1147 CB LYS A 74 10.645 -9.176 -7.154 1.00 0.25 C ATOM 1148 CG LYS A 74 11.554 -8.834 -8.360 1.00 10.10 C ATOM 1149 CD LYS A 74 12.202 -10.086 -8.998 1.00 72.42 C ATOM 1150 CE LYS A 74 13.159 -9.741 -10.153 1.00 71.24 C ATOM 1151 NZ LYS A 74 13.629 -10.963 -10.857 1.00 25.34 N ATOM 0 H LYS A 74 8.676 -8.612 -8.637 1.00 75.10 H new ATOM 0 HA LYS A 74 9.921 -11.076 -7.900 1.00 20.14 H new ATOM 0 HB2 LYS A 74 10.214 -8.252 -6.769 1.00 0.25 H new ATOM 0 HB3 LYS A 74 11.262 -9.595 -6.359 1.00 0.25 H new ATOM 0 HG2 LYS A 74 10.967 -8.310 -9.114 1.00 10.10 H new ATOM 0 HG3 LYS A 74 12.338 -8.150 -8.035 1.00 10.10 H new ATOM 0 HD2 LYS A 74 12.748 -10.637 -8.232 1.00 72.42 H new ATOM 0 HD3 LYS A 74 11.418 -10.747 -9.367 1.00 72.42 H new ATOM 0 HE2 LYS A 74 12.654 -9.084 -10.861 1.00 71.24 H new ATOM 0 HE3 LYS A 74 14.016 -9.192 -9.764 1.00 71.24 H new ATOM 0 HZ1 LYS A 74 14.272 -10.693 -11.629 1.00 25.34 H new ATOM 0 HZ2 LYS A 74 14.132 -11.578 -10.186 1.00 25.34 H new ATOM 0 HZ3 LYS A 74 12.812 -11.474 -11.249 1.00 25.34 H new ATOM 1165 N ASN A 75 7.826 -9.702 -5.713 1.00 71.13 N ATOM 1166 CA ASN A 75 6.998 -9.976 -4.518 1.00 3.14 C ATOM 1167 C ASN A 75 5.652 -9.187 -4.560 1.00 21.25 C ATOM 1168 O ASN A 75 5.577 -8.032 -4.113 1.00 42.43 O ATOM 1169 CB ASN A 75 7.794 -9.655 -3.220 1.00 4.22 C ATOM 1170 CG ASN A 75 7.048 -10.049 -1.944 1.00 5.12 C ATOM 1171 OD1 ASN A 75 7.255 -9.310 -0.887 1.00 33.45 O flip ATOM 1172 ND2 ASN A 75 6.284 -11.008 -1.913 1.00 63.13 N flip ATOM 0 H ASN A 75 7.627 -8.806 -6.157 1.00 71.13 H new ATOM 0 HA ASN A 75 6.751 -11.038 -4.517 1.00 3.14 H new ATOM 0 HB2 ASN A 75 8.751 -10.176 -3.250 1.00 4.22 H new ATOM 0 HB3 ASN A 75 8.013 -8.588 -3.190 1.00 4.22 H new ATOM 0 HD21 ASN A 75 6.138 -11.571 -2.751 1.00 63.13 H new ATOM 0 HD22 ASN A 75 5.795 -11.243 -1.049 1.00 63.13 H new ATOM 1179 N PRO A 76 4.571 -9.788 -5.156 1.00 42.20 N ATOM 1180 CA PRO A 76 3.184 -9.262 -5.040 1.00 55.43 C ATOM 1181 C PRO A 76 2.449 -9.782 -3.765 1.00 10.11 C ATOM 1182 O PRO A 76 1.342 -9.330 -3.444 1.00 52.44 O ATOM 1183 CB PRO A 76 2.535 -9.792 -6.342 1.00 53.32 C ATOM 1184 CG PRO A 76 3.201 -11.120 -6.576 1.00 22.51 C ATOM 1185 CD PRO A 76 4.622 -10.991 -6.039 1.00 63.23 C ATOM 0 HA PRO A 76 3.140 -8.178 -4.933 1.00 55.43 H new ATOM 0 HB2 PRO A 76 1.456 -9.902 -6.232 1.00 53.32 H new ATOM 0 HB3 PRO A 76 2.703 -9.111 -7.176 1.00 53.32 H new ATOM 0 HG2 PRO A 76 2.664 -11.919 -6.065 1.00 22.51 H new ATOM 0 HG3 PRO A 76 3.208 -11.369 -7.637 1.00 22.51 H new ATOM 0 HD2 PRO A 76 4.920 -11.880 -5.484 1.00 63.23 H new ATOM 0 HD3 PRO A 76 5.343 -10.862 -6.846 1.00 63.23 H new ATOM 1193 N ASP A 77 3.095 -10.729 -3.045 1.00 31.51 N ATOM 1194 CA ASP A 77 2.558 -11.344 -1.805 1.00 20.14 C ATOM 1195 C ASP A 77 2.635 -10.364 -0.610 1.00 72.53 C ATOM 1196 O ASP A 77 1.893 -10.504 0.363 1.00 64.54 O ATOM 1197 CB ASP A 77 3.338 -12.645 -1.497 1.00 12.23 C ATOM 1198 CG ASP A 77 3.375 -13.589 -2.709 1.00 5.44 C ATOM 1199 OD1 ASP A 77 4.276 -13.441 -3.559 1.00 10.54 O ATOM 1200 OD2 ASP A 77 2.489 -14.458 -2.838 1.00 3.12 O ATOM 0 H ASP A 77 4.011 -11.092 -3.309 1.00 31.51 H new ATOM 0 HA ASP A 77 1.506 -11.582 -1.961 1.00 20.14 H new ATOM 0 HB2 ASP A 77 4.356 -12.396 -1.199 1.00 12.23 H new ATOM 0 HB3 ASP A 77 2.874 -13.155 -0.653 1.00 12.23 H new ATOM 1205 N LEU A 78 3.543 -9.373 -0.730 1.00 22.42 N ATOM 1206 CA LEU A 78 3.632 -8.192 0.165 1.00 51.21 C ATOM 1207 C LEU A 78 2.258 -7.488 0.301 1.00 55.31 C ATOM 1208 O LEU A 78 1.760 -7.234 1.405 1.00 75.34 O ATOM 1209 CB LEU A 78 4.659 -7.198 -0.456 1.00 74.04 C ATOM 1210 CG LEU A 78 4.723 -5.760 0.159 1.00 12.13 C ATOM 1211 CD1 LEU A 78 5.350 -5.760 1.568 1.00 23.03 C ATOM 1212 CD2 LEU A 78 5.445 -4.791 -0.796 1.00 24.12 C ATOM 0 H LEU A 78 4.250 -9.368 -1.465 1.00 22.42 H new ATOM 0 HA LEU A 78 3.945 -8.514 1.158 1.00 51.21 H new ATOM 0 HB2 LEU A 78 5.651 -7.644 -0.378 1.00 74.04 H new ATOM 0 HB3 LEU A 78 4.436 -7.102 -1.519 1.00 74.04 H new ATOM 0 HG LEU A 78 3.700 -5.405 0.281 1.00 12.13 H new ATOM 0 HD11 LEU A 78 5.374 -4.742 1.956 1.00 23.03 H new ATOM 0 HD12 LEU A 78 4.754 -6.387 2.231 1.00 23.03 H new ATOM 0 HD13 LEU A 78 6.366 -6.152 1.514 1.00 23.03 H new ATOM 0 HD21 LEU A 78 5.478 -3.797 -0.349 1.00 24.12 H new ATOM 0 HD22 LEU A 78 6.461 -5.144 -0.973 1.00 24.12 H new ATOM 0 HD23 LEU A 78 4.907 -4.745 -1.743 1.00 24.12 H new ATOM 1224 N ARG A 79 1.676 -7.199 -0.869 1.00 61.44 N ATOM 1225 CA ARG A 79 0.351 -6.580 -1.011 1.00 33.01 C ATOM 1226 C ARG A 79 -0.760 -7.452 -0.379 1.00 62.34 C ATOM 1227 O ARG A 79 -1.650 -6.930 0.300 1.00 15.05 O ATOM 1228 CB ARG A 79 0.096 -6.349 -2.522 1.00 3.04 C ATOM 1229 CG ARG A 79 -1.345 -5.969 -2.917 1.00 30.14 C ATOM 1230 CD ARG A 79 -1.485 -5.741 -4.430 1.00 55.54 C ATOM 1231 NE ARG A 79 -0.888 -6.841 -5.213 1.00 21.43 N ATOM 1232 CZ ARG A 79 -1.540 -7.846 -5.744 1.00 20.52 C ATOM 1233 NH1 ARG A 79 -2.830 -7.940 -5.651 1.00 32.14 N ATOM 1234 NH2 ARG A 79 -0.888 -8.753 -6.382 1.00 63.02 N ATOM 0 H ARG A 79 2.123 -7.393 -1.765 1.00 61.44 H new ATOM 0 HA ARG A 79 0.329 -5.630 -0.477 1.00 33.01 H new ATOM 0 HB2 ARG A 79 0.765 -5.560 -2.866 1.00 3.04 H new ATOM 0 HB3 ARG A 79 0.371 -7.257 -3.059 1.00 3.04 H new ATOM 0 HG2 ARG A 79 -2.027 -6.760 -2.605 1.00 30.14 H new ATOM 0 HG3 ARG A 79 -1.640 -5.065 -2.385 1.00 30.14 H new ATOM 0 HD2 ARG A 79 -2.540 -5.645 -4.686 1.00 55.54 H new ATOM 0 HD3 ARG A 79 -1.004 -4.801 -4.701 1.00 55.54 H new ATOM 0 HE ARG A 79 0.122 -6.817 -5.353 1.00 21.43 H new ATOM 0 HH11 ARG A 79 -3.359 -7.222 -5.156 1.00 32.14 H new ATOM 0 HH12 ARG A 79 -3.315 -8.732 -6.073 1.00 32.14 H new ATOM 0 HH21 ARG A 79 0.126 -8.685 -6.470 1.00 63.02 H new ATOM 0 HH22 ARG A 79 -1.385 -9.540 -6.799 1.00 63.02 H new ATOM 1248 N ARG A 80 -0.680 -8.784 -0.597 1.00 31.13 N ATOM 1249 CA ARG A 80 -1.657 -9.751 -0.044 1.00 54.40 C ATOM 1250 C ARG A 80 -1.594 -9.811 1.508 1.00 44.25 C ATOM 1251 O ARG A 80 -2.614 -10.022 2.158 1.00 63.54 O ATOM 1252 CB ARG A 80 -1.428 -11.161 -0.650 1.00 5.31 C ATOM 1253 CG ARG A 80 -2.456 -12.226 -0.191 1.00 13.21 C ATOM 1254 CD ARG A 80 -2.172 -13.620 -0.764 1.00 2.22 C ATOM 1255 NE ARG A 80 -2.260 -13.637 -2.232 1.00 14.40 N ATOM 1256 CZ ARG A 80 -1.394 -14.186 -3.053 1.00 63.42 C ATOM 1257 NH1 ARG A 80 -0.345 -14.804 -2.613 1.00 15.31 N ATOM 1258 NH2 ARG A 80 -1.604 -14.119 -4.319 1.00 2.13 N ATOM 0 H ARG A 80 0.056 -9.216 -1.156 1.00 31.13 H new ATOM 0 HA ARG A 80 -2.653 -9.405 -0.320 1.00 54.40 H new ATOM 0 HB2 ARG A 80 -1.460 -11.086 -1.737 1.00 5.31 H new ATOM 0 HB3 ARG A 80 -0.427 -11.500 -0.383 1.00 5.31 H new ATOM 0 HG2 ARG A 80 -2.454 -12.279 0.898 1.00 13.21 H new ATOM 0 HG3 ARG A 80 -3.455 -11.912 -0.493 1.00 13.21 H new ATOM 0 HD2 ARG A 80 -1.178 -13.944 -0.456 1.00 2.22 H new ATOM 0 HD3 ARG A 80 -2.883 -14.335 -0.349 1.00 2.22 H new ATOM 0 HE ARG A 80 -3.069 -13.180 -2.652 1.00 14.40 H new ATOM 0 HH11 ARG A 80 -0.177 -14.872 -1.609 1.00 15.31 H new ATOM 0 HH12 ARG A 80 0.313 -15.223 -3.270 1.00 15.31 H new ATOM 0 HH21 ARG A 80 -2.434 -13.644 -4.674 1.00 2.13 H new ATOM 0 HH22 ARG A 80 -0.941 -14.541 -4.969 1.00 2.13 H new ATOM 1272 N ASN A 81 -0.387 -9.615 2.085 1.00 15.42 N ATOM 1273 CA ASN A 81 -0.194 -9.563 3.560 1.00 3.33 C ATOM 1274 C ASN A 81 -0.913 -8.334 4.177 1.00 24.23 C ATOM 1275 O ASN A 81 -1.450 -8.413 5.287 1.00 55.25 O ATOM 1276 CB ASN A 81 1.314 -9.550 3.924 1.00 2.22 C ATOM 1277 CG ASN A 81 2.066 -10.806 3.471 1.00 60.14 C ATOM 1278 OD1 ASN A 81 1.505 -11.894 3.384 1.00 62.53 O ATOM 1279 ND2 ASN A 81 3.340 -10.672 3.190 1.00 43.22 N ATOM 0 H ASN A 81 0.474 -9.489 1.553 1.00 15.42 H new ATOM 0 HA ASN A 81 -0.640 -10.464 3.982 1.00 3.33 H new ATOM 0 HB2 ASN A 81 1.781 -8.675 3.472 1.00 2.22 H new ATOM 0 HB3 ASN A 81 1.418 -9.445 5.004 1.00 2.22 H new ATOM 0 HD21 ASN A 81 3.884 -11.482 2.892 1.00 43.22 H new ATOM 0 HD22 ASN A 81 3.786 -9.758 3.269 1.00 43.22 H new ATOM 1286 N VAL A 82 -0.927 -7.209 3.434 1.00 42.22 N ATOM 1287 CA VAL A 82 -1.699 -5.996 3.814 1.00 41.03 C ATOM 1288 C VAL A 82 -3.226 -6.284 3.754 1.00 71.31 C ATOM 1289 O VAL A 82 -3.987 -5.900 4.652 1.00 52.25 O ATOM 1290 CB VAL A 82 -1.344 -4.765 2.886 1.00 3.11 C ATOM 1291 CG1 VAL A 82 -2.067 -3.468 3.342 1.00 3.15 C ATOM 1292 CG2 VAL A 82 0.188 -4.553 2.809 1.00 25.15 C ATOM 0 H VAL A 82 -0.410 -7.110 2.560 1.00 42.22 H new ATOM 0 HA VAL A 82 -1.422 -5.738 4.836 1.00 41.03 H new ATOM 0 HB VAL A 82 -1.705 -4.999 1.884 1.00 3.11 H new ATOM 0 HG11 VAL A 82 -1.796 -2.647 2.678 1.00 3.15 H new ATOM 0 HG12 VAL A 82 -3.146 -3.621 3.307 1.00 3.15 H new ATOM 0 HG13 VAL A 82 -1.768 -3.224 4.361 1.00 3.15 H new ATOM 0 HG21 VAL A 82 0.405 -3.701 2.165 1.00 25.15 H new ATOM 0 HG22 VAL A 82 0.580 -4.362 3.808 1.00 25.15 H new ATOM 0 HG23 VAL A 82 0.659 -5.447 2.400 1.00 25.15 H new ATOM 1302 N LEU A 83 -3.639 -7.005 2.691 1.00 14.31 N ATOM 1303 CA LEU A 83 -5.047 -7.421 2.463 1.00 10.13 C ATOM 1304 C LEU A 83 -5.511 -8.506 3.472 1.00 43.41 C ATOM 1305 O LEU A 83 -6.710 -8.675 3.703 1.00 30.14 O ATOM 1306 CB LEU A 83 -5.202 -7.930 1.001 1.00 74.41 C ATOM 1307 CG LEU A 83 -4.853 -6.883 -0.107 1.00 3.51 C ATOM 1308 CD1 LEU A 83 -4.943 -7.483 -1.528 1.00 75.41 C ATOM 1309 CD2 LEU A 83 -5.738 -5.634 0.029 1.00 3.12 C ATOM 0 H LEU A 83 -3.003 -7.320 1.958 1.00 14.31 H new ATOM 0 HA LEU A 83 -5.686 -6.553 2.622 1.00 10.13 H new ATOM 0 HB2 LEU A 83 -4.564 -8.804 0.867 1.00 74.41 H new ATOM 0 HB3 LEU A 83 -6.230 -8.261 0.855 1.00 74.41 H new ATOM 0 HG LEU A 83 -3.815 -6.586 0.042 1.00 3.51 H new ATOM 0 HD11 LEU A 83 -4.692 -6.718 -2.263 1.00 75.41 H new ATOM 0 HD12 LEU A 83 -4.244 -8.315 -1.617 1.00 75.41 H new ATOM 0 HD13 LEU A 83 -5.957 -7.841 -1.708 1.00 75.41 H new ATOM 0 HD21 LEU A 83 -5.479 -4.918 -0.751 1.00 3.12 H new ATOM 0 HD22 LEU A 83 -6.786 -5.918 -0.072 1.00 3.12 H new ATOM 0 HD23 LEU A 83 -5.578 -5.179 1.007 1.00 3.12 H new ATOM 1321 N CYS A 84 -4.544 -9.243 4.043 1.00 54.23 N ATOM 1322 CA CYS A 84 -4.797 -10.271 5.084 1.00 75.44 C ATOM 1323 C CYS A 84 -4.836 -9.651 6.498 1.00 73.53 C ATOM 1324 O CYS A 84 -5.266 -10.304 7.451 1.00 53.43 O ATOM 1325 CB CYS A 84 -3.707 -11.365 5.017 1.00 51.22 C ATOM 1326 SG CYS A 84 -3.906 -12.697 6.229 1.00 72.23 S ATOM 0 H CYS A 84 -3.558 -9.147 3.799 1.00 54.23 H new ATOM 0 HA CYS A 84 -5.773 -10.714 4.888 1.00 75.44 H new ATOM 0 HB2 CYS A 84 -3.705 -11.798 4.017 1.00 51.22 H new ATOM 0 HB3 CYS A 84 -2.733 -10.899 5.164 1.00 51.22 H new ATOM 0 HG CYS A 84 -4.544 -12.246 7.268 1.00 72.23 H new ATOM 1332 N GLY A 85 -4.376 -8.390 6.621 1.00 65.42 N ATOM 1333 CA GLY A 85 -4.285 -7.702 7.919 1.00 43.14 C ATOM 1334 C GLY A 85 -3.035 -8.076 8.728 1.00 3.03 C ATOM 1335 O GLY A 85 -2.931 -7.721 9.908 1.00 52.40 O ATOM 0 H GLY A 85 -4.061 -7.827 5.831 1.00 65.42 H new ATOM 0 HA2 GLY A 85 -4.290 -6.625 7.751 1.00 43.14 H new ATOM 0 HA3 GLY A 85 -5.172 -7.936 8.508 1.00 43.14 H new ATOM 1339 N ALA A 86 -2.097 -8.811 8.090 1.00 25.14 N ATOM 1340 CA ALA A 86 -0.783 -9.159 8.679 1.00 4.51 C ATOM 1341 C ALA A 86 0.126 -7.909 8.754 1.00 30.32 C ATOM 1342 O ALA A 86 0.802 -7.668 9.762 1.00 14.14 O ATOM 1343 CB ALA A 86 -0.112 -10.273 7.855 1.00 72.43 C ATOM 0 H ALA A 86 -2.230 -9.181 7.149 1.00 25.14 H new ATOM 0 HA ALA A 86 -0.939 -9.525 9.694 1.00 4.51 H new ATOM 0 HB1 ALA A 86 0.853 -10.521 8.297 1.00 72.43 H new ATOM 0 HB2 ALA A 86 -0.748 -11.158 7.853 1.00 72.43 H new ATOM 0 HB3 ALA A 86 0.035 -9.930 6.831 1.00 72.43 H new ATOM 1349 N ILE A 87 0.131 -7.128 7.660 1.00 41.05 N ATOM 1350 CA ILE A 87 0.773 -5.798 7.606 1.00 73.02 C ATOM 1351 C ILE A 87 -0.321 -4.705 7.686 1.00 33.11 C ATOM 1352 O ILE A 87 -1.274 -4.718 6.900 1.00 74.20 O ATOM 1353 CB ILE A 87 1.617 -5.618 6.285 1.00 23.22 C ATOM 1354 CG1 ILE A 87 2.696 -6.744 6.155 1.00 33.15 C ATOM 1355 CG2 ILE A 87 2.279 -4.216 6.218 1.00 73.21 C ATOM 1356 CD1 ILE A 87 3.547 -6.667 4.896 1.00 43.11 C ATOM 0 H ILE A 87 -0.312 -7.401 6.783 1.00 41.05 H new ATOM 0 HA ILE A 87 1.456 -5.708 8.450 1.00 73.02 H new ATOM 0 HB ILE A 87 0.929 -5.701 5.444 1.00 23.22 H new ATOM 0 HG12 ILE A 87 3.353 -6.701 7.024 1.00 33.15 H new ATOM 0 HG13 ILE A 87 2.196 -7.712 6.181 1.00 33.15 H new ATOM 0 HG21 ILE A 87 2.852 -4.128 5.295 1.00 73.21 H new ATOM 0 HG22 ILE A 87 1.506 -3.447 6.240 1.00 73.21 H new ATOM 0 HG23 ILE A 87 2.944 -4.087 7.072 1.00 73.21 H new ATOM 0 HD11 ILE A 87 4.266 -7.486 4.892 1.00 43.11 H new ATOM 0 HD12 ILE A 87 2.906 -6.743 4.018 1.00 43.11 H new ATOM 0 HD13 ILE A 87 4.080 -5.716 4.875 1.00 43.11 H new ATOM 1368 N THR A 88 -0.183 -3.775 8.646 1.00 21.33 N ATOM 1369 CA THR A 88 -1.136 -2.648 8.819 1.00 64.30 C ATOM 1370 C THR A 88 -0.788 -1.479 7.860 1.00 42.52 C ATOM 1371 O THR A 88 0.366 -1.363 7.431 1.00 63.24 O ATOM 1372 CB THR A 88 -1.136 -2.121 10.296 1.00 62.23 C ATOM 1373 OG1 THR A 88 0.161 -1.618 10.631 1.00 2.15 O ATOM 1374 CG2 THR A 88 -1.537 -3.218 11.301 1.00 4.42 C ATOM 0 H THR A 88 0.582 -3.776 9.321 1.00 21.33 H new ATOM 0 HA THR A 88 -2.130 -3.028 8.581 1.00 64.30 H new ATOM 0 HB THR A 88 -1.876 -1.323 10.360 1.00 62.23 H new ATOM 0 HG1 THR A 88 0.119 -1.152 11.492 1.00 2.15 H new ATOM 0 HG21 THR A 88 -1.523 -2.809 12.311 1.00 4.42 H new ATOM 0 HG22 THR A 88 -2.540 -3.576 11.068 1.00 4.42 H new ATOM 0 HG23 THR A 88 -0.832 -4.047 11.236 1.00 4.42 H new ATOM 1382 N PRO A 89 -1.791 -0.610 7.483 1.00 2.22 N ATOM 1383 CA PRO A 89 -1.561 0.609 6.647 1.00 21.01 C ATOM 1384 C PRO A 89 -0.365 1.504 7.084 1.00 50.32 C ATOM 1385 O PRO A 89 0.317 2.090 6.232 1.00 20.11 O ATOM 1386 CB PRO A 89 -2.898 1.369 6.791 1.00 35.43 C ATOM 1387 CG PRO A 89 -3.921 0.284 6.927 1.00 15.23 C ATOM 1388 CD PRO A 89 -3.253 -0.785 7.770 1.00 61.11 C ATOM 0 HA PRO A 89 -1.287 0.334 5.629 1.00 21.01 H new ATOM 0 HB2 PRO A 89 -2.893 2.024 7.663 1.00 35.43 H new ATOM 0 HB3 PRO A 89 -3.096 1.997 5.922 1.00 35.43 H new ATOM 0 HG2 PRO A 89 -4.827 0.654 7.406 1.00 15.23 H new ATOM 0 HG3 PRO A 89 -4.213 -0.107 5.952 1.00 15.23 H new ATOM 0 HD2 PRO A 89 -3.471 -0.652 8.830 1.00 61.11 H new ATOM 0 HD3 PRO A 89 -3.597 -1.782 7.497 1.00 61.11 H new ATOM 1396 N GLN A 90 -0.121 1.604 8.410 1.00 1.01 N ATOM 1397 CA GLN A 90 1.008 2.393 8.957 1.00 64.04 C ATOM 1398 C GLN A 90 2.364 1.658 8.804 1.00 1.41 C ATOM 1399 O GLN A 90 3.395 2.304 8.615 1.00 3.34 O ATOM 1400 CB GLN A 90 0.724 2.833 10.431 1.00 75.14 C ATOM 1401 CG GLN A 90 0.486 1.717 11.489 1.00 11.22 C ATOM 1402 CD GLN A 90 1.755 1.039 12.045 1.00 21.55 C ATOM 1403 OE1 GLN A 90 1.721 -0.122 12.424 1.00 51.35 O ATOM 1404 NE2 GLN A 90 2.869 1.753 12.124 1.00 62.11 N ATOM 0 H GLN A 90 -0.691 1.148 9.122 1.00 1.01 H new ATOM 0 HA GLN A 90 1.094 3.302 8.362 1.00 64.04 H new ATOM 0 HB2 GLN A 90 1.565 3.439 10.767 1.00 75.14 H new ATOM 0 HB3 GLN A 90 -0.153 3.480 10.424 1.00 75.14 H new ATOM 0 HG2 GLN A 90 -0.070 2.146 12.323 1.00 11.22 H new ATOM 0 HG3 GLN A 90 -0.148 0.950 11.044 1.00 11.22 H new ATOM 0 HE21 GLN A 90 2.878 2.721 11.803 1.00 62.11 H new ATOM 0 HE22 GLN A 90 3.717 1.334 12.506 1.00 62.11 H new ATOM 1413 N GLN A 91 2.355 0.303 8.889 1.00 12.04 N ATOM 1414 CA GLN A 91 3.566 -0.522 8.638 1.00 74.31 C ATOM 1415 C GLN A 91 4.023 -0.396 7.167 1.00 64.44 C ATOM 1416 O GLN A 91 5.144 0.034 6.903 1.00 35.14 O ATOM 1417 CB GLN A 91 3.329 -2.018 9.003 1.00 64.34 C ATOM 1418 CG GLN A 91 3.319 -2.329 10.510 1.00 11.44 C ATOM 1419 CD GLN A 91 3.084 -3.816 10.818 1.00 11.14 C ATOM 1420 OE1 GLN A 91 1.838 -4.201 11.018 1.00 12.23 O flip ATOM 1421 NE2 GLN A 91 4.015 -4.608 10.889 1.00 14.35 N flip ATOM 0 H GLN A 91 1.526 -0.240 9.129 1.00 12.04 H new ATOM 0 HA GLN A 91 4.356 -0.141 9.284 1.00 74.31 H new ATOM 0 HB2 GLN A 91 2.377 -2.333 8.576 1.00 64.34 H new ATOM 0 HB3 GLN A 91 4.105 -2.619 8.529 1.00 64.34 H new ATOM 0 HG2 GLN A 91 4.270 -2.020 10.945 1.00 11.44 H new ATOM 0 HG3 GLN A 91 2.541 -1.737 10.992 1.00 11.44 H new ATOM 0 HE21 GLN A 91 4.970 -4.288 10.730 1.00 14.35 H new ATOM 0 HE22 GLN A 91 3.835 -5.588 11.107 1.00 14.35 H new ATOM 1430 N ILE A 92 3.121 -0.726 6.219 1.00 3.41 N ATOM 1431 CA ILE A 92 3.420 -0.675 4.760 1.00 1.10 C ATOM 1432 C ILE A 92 3.794 0.764 4.280 1.00 14.24 C ATOM 1433 O ILE A 92 4.396 0.924 3.229 1.00 31.02 O ATOM 1434 CB ILE A 92 2.221 -1.267 3.907 1.00 23.53 C ATOM 1435 CG1 ILE A 92 2.597 -1.447 2.390 1.00 72.41 C ATOM 1436 CG2 ILE A 92 0.948 -0.408 4.058 1.00 3.23 C ATOM 1437 CD1 ILE A 92 3.776 -2.379 2.124 1.00 3.21 C ATOM 0 H ILE A 92 2.172 -1.033 6.433 1.00 3.41 H new ATOM 0 HA ILE A 92 4.296 -1.302 4.596 1.00 1.10 H new ATOM 0 HB ILE A 92 2.014 -2.260 4.307 1.00 23.53 H new ATOM 0 HG12 ILE A 92 1.725 -1.828 1.858 1.00 72.41 H new ATOM 0 HG13 ILE A 92 2.825 -0.468 1.969 1.00 72.41 H new ATOM 0 HG21 ILE A 92 0.145 -0.840 3.461 1.00 3.23 H new ATOM 0 HG22 ILE A 92 0.648 -0.382 5.106 1.00 3.23 H new ATOM 0 HG23 ILE A 92 1.150 0.606 3.714 1.00 3.23 H new ATOM 0 HD11 ILE A 92 3.958 -2.438 1.051 1.00 3.21 H new ATOM 0 HD12 ILE A 92 4.665 -1.992 2.622 1.00 3.21 H new ATOM 0 HD13 ILE A 92 3.548 -3.373 2.509 1.00 3.21 H new ATOM 1449 N ALA A 93 3.451 1.796 5.080 1.00 12.54 N ATOM 1450 CA ALA A 93 3.840 3.205 4.815 1.00 42.41 C ATOM 1451 C ALA A 93 5.306 3.514 5.255 1.00 4.51 C ATOM 1452 O ALA A 93 6.018 4.270 4.579 1.00 31.01 O ATOM 1453 CB ALA A 93 2.854 4.156 5.511 1.00 52.50 C ATOM 0 H ALA A 93 2.897 1.680 5.928 1.00 12.54 H new ATOM 0 HA ALA A 93 3.798 3.360 3.737 1.00 42.41 H new ATOM 0 HB1 ALA A 93 3.143 5.188 5.314 1.00 52.50 H new ATOM 0 HB2 ALA A 93 1.848 3.982 5.128 1.00 52.50 H new ATOM 0 HB3 ALA A 93 2.870 3.974 6.586 1.00 52.50 H new ATOM 1459 N VAL A 94 5.755 2.916 6.383 1.00 21.32 N ATOM 1460 CA VAL A 94 7.103 3.188 6.971 1.00 4.23 C ATOM 1461 C VAL A 94 8.201 2.197 6.484 1.00 53.35 C ATOM 1462 O VAL A 94 9.395 2.464 6.673 1.00 32.44 O ATOM 1463 CB VAL A 94 7.054 3.192 8.552 1.00 43.11 C ATOM 1464 CG1 VAL A 94 6.061 4.257 9.076 1.00 14.12 C ATOM 1465 CG2 VAL A 94 6.731 1.789 9.127 1.00 50.40 C ATOM 0 H VAL A 94 5.206 2.238 6.912 1.00 21.32 H new ATOM 0 HA VAL A 94 7.379 4.180 6.614 1.00 4.23 H new ATOM 0 HB VAL A 94 8.050 3.459 8.905 1.00 43.11 H new ATOM 0 HG11 VAL A 94 6.048 4.237 10.166 1.00 14.12 H new ATOM 0 HG12 VAL A 94 6.373 5.244 8.735 1.00 14.12 H new ATOM 0 HG13 VAL A 94 5.062 4.041 8.697 1.00 14.12 H new ATOM 0 HG21 VAL A 94 6.707 1.839 10.216 1.00 50.40 H new ATOM 0 HG22 VAL A 94 5.760 1.459 8.758 1.00 50.40 H new ATOM 0 HG23 VAL A 94 7.498 1.081 8.813 1.00 50.40 H new ATOM 1475 N MET A 95 7.795 1.057 5.882 1.00 11.24 N ATOM 1476 CA MET A 95 8.746 0.032 5.357 1.00 1.42 C ATOM 1477 C MET A 95 9.604 0.579 4.185 1.00 11.12 C ATOM 1478 O MET A 95 9.100 1.283 3.315 1.00 3.42 O ATOM 1479 CB MET A 95 7.974 -1.241 4.903 1.00 22.30 C ATOM 1480 CG MET A 95 7.334 -2.045 6.046 1.00 61.43 C ATOM 1481 SD MET A 95 6.214 -3.343 5.465 1.00 33.12 S ATOM 1482 CE MET A 95 7.323 -4.448 4.589 1.00 51.33 C ATOM 0 H MET A 95 6.813 0.816 5.744 1.00 11.24 H new ATOM 0 HA MET A 95 9.424 -0.226 6.170 1.00 1.42 H new ATOM 0 HB2 MET A 95 7.193 -0.945 4.203 1.00 22.30 H new ATOM 0 HB3 MET A 95 8.660 -1.891 4.359 1.00 22.30 H new ATOM 0 HG2 MET A 95 8.122 -2.497 6.649 1.00 61.43 H new ATOM 0 HG3 MET A 95 6.785 -1.365 6.697 1.00 61.43 H new ATOM 0 HE1 MET A 95 6.777 -5.338 4.276 1.00 51.33 H new ATOM 0 HE2 MET A 95 7.723 -3.941 3.711 1.00 51.33 H new ATOM 0 HE3 MET A 95 8.143 -4.737 5.246 1.00 51.33 H new ATOM 1492 N THR A 96 10.904 0.249 4.172 1.00 50.45 N ATOM 1493 CA THR A 96 11.820 0.647 3.073 1.00 5.31 C ATOM 1494 C THR A 96 11.640 -0.278 1.852 1.00 64.24 C ATOM 1495 O THR A 96 11.007 -1.328 1.964 1.00 52.13 O ATOM 1496 CB THR A 96 13.317 0.600 3.530 1.00 31.21 C ATOM 1497 OG1 THR A 96 13.726 -0.755 3.768 1.00 14.34 O ATOM 1498 CG2 THR A 96 13.543 1.418 4.808 1.00 51.41 C ATOM 0 H THR A 96 11.353 -0.294 4.909 1.00 50.45 H new ATOM 0 HA THR A 96 11.566 1.671 2.799 1.00 5.31 H new ATOM 0 HB THR A 96 13.912 1.033 2.726 1.00 31.21 H new ATOM 0 HG1 THR A 96 14.522 -0.761 4.339 1.00 14.34 H new ATOM 0 HG21 THR A 96 14.593 1.362 5.095 1.00 51.41 H new ATOM 0 HG22 THR A 96 13.271 2.458 4.627 1.00 51.41 H new ATOM 0 HG23 THR A 96 12.926 1.016 5.611 1.00 51.41 H new ATOM 1506 N SER A 97 12.211 0.110 0.693 1.00 11.33 N ATOM 1507 CA SER A 97 12.225 -0.748 -0.531 1.00 60.32 C ATOM 1508 C SER A 97 12.944 -2.095 -0.265 1.00 45.21 C ATOM 1509 O SER A 97 12.613 -3.123 -0.867 1.00 42.05 O ATOM 1510 CB SER A 97 12.895 -0.001 -1.709 1.00 51.34 C ATOM 1511 OG SER A 97 12.213 1.215 -2.008 1.00 34.34 O ATOM 0 H SER A 97 12.672 1.012 0.570 1.00 11.33 H new ATOM 0 HA SER A 97 11.191 -0.967 -0.798 1.00 60.32 H new ATOM 0 HB2 SER A 97 13.934 0.214 -1.461 1.00 51.34 H new ATOM 0 HB3 SER A 97 12.903 -0.642 -2.591 1.00 51.34 H new ATOM 0 HG SER A 97 12.660 1.666 -2.755 1.00 34.34 H new ATOM 1517 N GLU A 98 13.917 -2.055 0.666 1.00 12.12 N ATOM 1518 CA GLU A 98 14.630 -3.245 1.180 1.00 1.13 C ATOM 1519 C GLU A 98 13.641 -4.207 1.885 1.00 31.03 C ATOM 1520 O GLU A 98 13.581 -5.391 1.564 1.00 71.12 O ATOM 1521 CB GLU A 98 15.725 -2.793 2.188 1.00 63.52 C ATOM 1522 CG GLU A 98 16.668 -1.678 1.671 1.00 52.43 C ATOM 1523 CD GLU A 98 17.474 -1.014 2.801 1.00 64.14 C ATOM 1524 OE1 GLU A 98 16.885 -0.216 3.564 1.00 24.25 O ATOM 1525 OE2 GLU A 98 18.679 -1.305 2.955 1.00 54.11 O ATOM 0 H GLU A 98 14.236 -1.183 1.089 1.00 12.12 H new ATOM 0 HA GLU A 98 15.091 -3.770 0.343 1.00 1.13 H new ATOM 0 HB2 GLU A 98 15.238 -2.443 3.098 1.00 63.52 H new ATOM 0 HB3 GLU A 98 16.327 -3.660 2.461 1.00 63.52 H new ATOM 0 HG2 GLU A 98 17.356 -2.100 0.938 1.00 52.43 H new ATOM 0 HG3 GLU A 98 16.079 -0.919 1.155 1.00 52.43 H new ATOM 1532 N GLU A 99 12.849 -3.649 2.828 1.00 45.03 N ATOM 1533 CA GLU A 99 11.869 -4.408 3.649 1.00 33.02 C ATOM 1534 C GLU A 99 10.679 -4.943 2.822 1.00 63.30 C ATOM 1535 O GLU A 99 10.183 -6.035 3.081 1.00 10.25 O ATOM 1536 CB GLU A 99 11.344 -3.514 4.805 1.00 72.54 C ATOM 1537 CG GLU A 99 12.426 -3.021 5.785 1.00 35.15 C ATOM 1538 CD GLU A 99 13.148 -4.166 6.519 1.00 11.05 C ATOM 1539 OE1 GLU A 99 12.644 -4.623 7.567 1.00 30.40 O ATOM 1540 OE2 GLU A 99 14.208 -4.634 6.046 1.00 1.21 O ATOM 0 H GLU A 99 12.869 -2.653 3.045 1.00 45.03 H new ATOM 0 HA GLU A 99 12.395 -5.274 4.051 1.00 33.02 H new ATOM 0 HB2 GLU A 99 10.841 -2.648 4.375 1.00 72.54 H new ATOM 0 HB3 GLU A 99 10.594 -4.072 5.365 1.00 72.54 H new ATOM 0 HG2 GLU A 99 13.160 -2.429 5.238 1.00 35.15 H new ATOM 0 HG3 GLU A 99 11.967 -2.360 6.520 1.00 35.15 H new ATOM 1547 N MET A 100 10.231 -4.152 1.837 1.00 51.13 N ATOM 1548 CA MET A 100 9.090 -4.510 0.964 1.00 1.22 C ATOM 1549 C MET A 100 9.462 -5.642 -0.032 1.00 45.03 C ATOM 1550 O MET A 100 8.612 -6.460 -0.404 1.00 73.51 O ATOM 1551 CB MET A 100 8.568 -3.246 0.226 1.00 52.34 C ATOM 1552 CG MET A 100 7.917 -2.194 1.150 1.00 34.11 C ATOM 1553 SD MET A 100 7.119 -0.833 0.259 1.00 52.51 S ATOM 1554 CE MET A 100 8.490 -0.094 -0.631 1.00 42.02 C ATOM 0 H MET A 100 10.645 -3.246 1.618 1.00 51.13 H new ATOM 0 HA MET A 100 8.287 -4.898 1.591 1.00 1.22 H new ATOM 0 HB2 MET A 100 9.398 -2.781 -0.306 1.00 52.34 H new ATOM 0 HB3 MET A 100 7.840 -3.553 -0.525 1.00 52.34 H new ATOM 0 HG2 MET A 100 7.177 -2.686 1.781 1.00 34.11 H new ATOM 0 HG3 MET A 100 8.679 -1.785 1.813 1.00 34.11 H new ATOM 0 HE1 MET A 100 8.157 0.824 -1.116 1.00 42.02 H new ATOM 0 HE2 MET A 100 9.295 0.136 0.067 1.00 42.02 H new ATOM 0 HE3 MET A 100 8.852 -0.792 -1.386 1.00 42.02 H new ATOM 1564 N ALA A 101 10.745 -5.685 -0.450 1.00 5.12 N ATOM 1565 CA ALA A 101 11.284 -6.782 -1.292 1.00 4.31 C ATOM 1566 C ALA A 101 11.676 -8.015 -0.436 1.00 44.31 C ATOM 1567 O ALA A 101 11.577 -9.155 -0.899 1.00 42.11 O ATOM 1568 CB ALA A 101 12.495 -6.279 -2.101 1.00 41.11 C ATOM 0 H ALA A 101 11.433 -4.969 -0.218 1.00 5.12 H new ATOM 0 HA ALA A 101 10.500 -7.096 -1.981 1.00 4.31 H new ATOM 0 HB1 ALA A 101 12.884 -7.090 -2.716 1.00 41.11 H new ATOM 0 HB2 ALA A 101 12.187 -5.453 -2.742 1.00 41.11 H new ATOM 0 HB3 ALA A 101 13.272 -5.937 -1.418 1.00 41.11 H new ATOM 1574 N SER A 102 12.106 -7.767 0.824 1.00 20.42 N ATOM 1575 CA SER A 102 12.496 -8.838 1.788 1.00 4.23 C ATOM 1576 C SER A 102 11.331 -9.200 2.739 1.00 15.43 C ATOM 1577 O SER A 102 11.551 -9.826 3.778 1.00 74.30 O ATOM 1578 CB SER A 102 13.732 -8.415 2.618 1.00 44.10 C ATOM 1579 OG SER A 102 14.841 -8.104 1.787 1.00 12.04 O ATOM 0 H SER A 102 12.194 -6.825 1.205 1.00 20.42 H new ATOM 0 HA SER A 102 12.748 -9.720 1.199 1.00 4.23 H new ATOM 0 HB2 SER A 102 13.481 -7.548 3.229 1.00 44.10 H new ATOM 0 HB3 SER A 102 14.004 -9.219 3.302 1.00 44.10 H new ATOM 0 HG SER A 102 14.777 -7.172 1.491 1.00 12.04 H new ATOM 1585 N ASP A 103 10.102 -8.812 2.347 1.00 61.41 N ATOM 1586 CA ASP A 103 8.842 -9.113 3.074 1.00 4.50 C ATOM 1587 C ASP A 103 8.703 -10.614 3.434 1.00 74.53 C ATOM 1588 O ASP A 103 8.299 -10.962 4.554 1.00 55.35 O ATOM 1589 CB ASP A 103 7.655 -8.624 2.204 1.00 12.42 C ATOM 1590 CG ASP A 103 6.295 -9.241 2.571 1.00 11.41 C ATOM 1591 OD1 ASP A 103 5.691 -8.808 3.567 1.00 61.41 O ATOM 1592 OD2 ASP A 103 5.834 -10.160 1.849 1.00 12.54 O ATOM 0 H ASP A 103 9.948 -8.268 1.498 1.00 61.41 H new ATOM 0 HA ASP A 103 8.850 -8.587 4.029 1.00 4.50 H new ATOM 0 HB2 ASP A 103 7.582 -7.540 2.289 1.00 12.42 H new ATOM 0 HB3 ASP A 103 7.871 -8.848 1.159 1.00 12.42 H new ATOM 1597 N GLU A 104 9.083 -11.484 2.488 1.00 61.41 N ATOM 1598 CA GLU A 104 9.021 -12.941 2.690 1.00 13.45 C ATOM 1599 C GLU A 104 10.077 -13.375 3.727 1.00 63.42 C ATOM 1600 O GLU A 104 9.786 -14.170 4.608 1.00 44.03 O ATOM 1601 CB GLU A 104 9.222 -13.694 1.347 1.00 33.12 C ATOM 1602 CG GLU A 104 8.208 -13.312 0.243 1.00 2.11 C ATOM 1603 CD GLU A 104 8.373 -14.144 -1.040 1.00 45.22 C ATOM 1604 OE1 GLU A 104 9.216 -13.792 -1.893 1.00 35.51 O ATOM 1605 OE2 GLU A 104 7.681 -15.182 -1.180 1.00 55.44 O ATOM 0 H GLU A 104 9.437 -11.205 1.573 1.00 61.41 H new ATOM 0 HA GLU A 104 8.033 -13.199 3.071 1.00 13.45 H new ATOM 0 HB2 GLU A 104 10.230 -13.498 0.981 1.00 33.12 H new ATOM 0 HB3 GLU A 104 9.153 -14.766 1.532 1.00 33.12 H new ATOM 0 HG2 GLU A 104 7.196 -13.443 0.626 1.00 2.11 H new ATOM 0 HG3 GLU A 104 8.323 -12.255 0.001 1.00 2.11 H new ATOM 1612 N LEU A 105 11.285 -12.777 3.635 1.00 2.42 N ATOM 1613 CA LEU A 105 12.431 -13.087 4.530 1.00 74.12 C ATOM 1614 C LEU A 105 12.242 -12.572 5.981 1.00 44.44 C ATOM 1615 O LEU A 105 12.981 -12.986 6.883 1.00 34.04 O ATOM 1616 CB LEU A 105 13.735 -12.510 3.933 1.00 64.55 C ATOM 1617 CG LEU A 105 14.115 -13.037 2.512 1.00 43.51 C ATOM 1618 CD1 LEU A 105 15.474 -12.476 2.060 1.00 22.54 C ATOM 1619 CD2 LEU A 105 14.097 -14.584 2.458 1.00 44.01 C ATOM 0 H LEU A 105 11.497 -12.064 2.938 1.00 2.42 H new ATOM 0 HA LEU A 105 12.489 -14.174 4.593 1.00 74.12 H new ATOM 0 HB2 LEU A 105 13.644 -11.425 3.887 1.00 64.55 H new ATOM 0 HB3 LEU A 105 14.556 -12.732 4.615 1.00 64.55 H new ATOM 0 HG LEU A 105 13.359 -12.679 1.813 1.00 43.51 H new ATOM 0 HD11 LEU A 105 15.714 -12.859 1.068 1.00 22.54 H new ATOM 0 HD12 LEU A 105 15.426 -11.388 2.027 1.00 22.54 H new ATOM 0 HD13 LEU A 105 16.247 -12.784 2.764 1.00 22.54 H new ATOM 0 HD21 LEU A 105 14.366 -14.916 1.455 1.00 44.01 H new ATOM 0 HD22 LEU A 105 14.814 -14.982 3.176 1.00 44.01 H new ATOM 0 HD23 LEU A 105 13.098 -14.945 2.704 1.00 44.01 H new ATOM 1631 N LYS A 106 11.267 -11.659 6.190 1.00 72.41 N ATOM 1632 CA LYS A 106 10.894 -11.177 7.543 1.00 24.44 C ATOM 1633 C LYS A 106 10.415 -12.357 8.423 1.00 73.51 C ATOM 1634 O LYS A 106 10.762 -12.447 9.603 1.00 71.11 O ATOM 1635 CB LYS A 106 9.789 -10.080 7.455 1.00 71.45 C ATOM 1636 CG LYS A 106 10.111 -8.830 6.580 1.00 34.31 C ATOM 1637 CD LYS A 106 11.221 -7.890 7.146 1.00 31.23 C ATOM 1638 CE LYS A 106 12.653 -8.316 6.776 1.00 74.25 C ATOM 1639 NZ LYS A 106 13.674 -7.405 7.355 1.00 24.44 N ATOM 0 H LYS A 106 10.722 -11.239 5.437 1.00 72.41 H new ATOM 0 HA LYS A 106 11.777 -10.735 8.004 1.00 24.44 H new ATOM 0 HB2 LYS A 106 8.881 -10.542 7.067 1.00 71.45 H new ATOM 0 HB3 LYS A 106 9.566 -9.739 8.466 1.00 71.45 H new ATOM 0 HG2 LYS A 106 10.414 -9.168 5.589 1.00 34.31 H new ATOM 0 HG3 LYS A 106 9.197 -8.250 6.453 1.00 34.31 H new ATOM 0 HD2 LYS A 106 11.048 -6.879 6.779 1.00 31.23 H new ATOM 0 HD3 LYS A 106 11.133 -7.854 8.232 1.00 31.23 H new ATOM 0 HE2 LYS A 106 12.832 -9.331 7.130 1.00 74.25 H new ATOM 0 HE3 LYS A 106 12.757 -8.333 5.691 1.00 74.25 H new ATOM 0 HZ1 LYS A 106 14.439 -7.258 6.666 1.00 24.44 H new ATOM 0 HZ2 LYS A 106 13.234 -6.491 7.584 1.00 24.44 H new ATOM 0 HZ3 LYS A 106 14.065 -7.828 8.221 1.00 24.44 H new ATOM 1653 N GLU A 107 9.625 -13.253 7.809 1.00 14.12 N ATOM 1654 CA GLU A 107 9.177 -14.515 8.431 1.00 72.11 C ATOM 1655 C GLU A 107 10.182 -15.654 8.131 1.00 5.43 C ATOM 1656 O GLU A 107 10.618 -16.386 9.028 1.00 60.15 O ATOM 1657 CB GLU A 107 7.770 -14.892 7.886 1.00 11.43 C ATOM 1658 CG GLU A 107 6.680 -13.811 8.081 1.00 70.13 C ATOM 1659 CD GLU A 107 6.479 -13.402 9.553 1.00 61.42 C ATOM 1660 OE1 GLU A 107 5.953 -14.216 10.339 1.00 4.41 O ATOM 1661 OE2 GLU A 107 6.858 -12.270 9.930 1.00 33.21 O ATOM 0 H GLU A 107 9.275 -13.123 6.860 1.00 14.12 H new ATOM 0 HA GLU A 107 9.124 -14.377 9.511 1.00 72.11 H new ATOM 0 HB2 GLU A 107 7.856 -15.111 6.822 1.00 11.43 H new ATOM 0 HB3 GLU A 107 7.442 -15.809 8.375 1.00 11.43 H new ATOM 0 HG2 GLU A 107 6.946 -12.928 7.500 1.00 70.13 H new ATOM 0 HG3 GLU A 107 5.736 -14.182 7.683 1.00 70.13 H new ATOM 1668 N ILE A 108 10.558 -15.763 6.845 1.00 42.33 N ATOM 1669 CA ILE A 108 11.395 -16.861 6.318 1.00 52.22 C ATOM 1670 C ILE A 108 12.902 -16.497 6.410 1.00 43.23 C ATOM 1671 O ILE A 108 13.578 -16.223 5.410 1.00 1.23 O ATOM 1672 CB ILE A 108 10.985 -17.219 4.826 1.00 61.01 C ATOM 1673 CG1 ILE A 108 9.431 -17.413 4.703 1.00 45.33 C ATOM 1674 CG2 ILE A 108 11.738 -18.476 4.317 1.00 22.24 C ATOM 1675 CD1 ILE A 108 8.837 -18.502 5.590 1.00 34.03 C ATOM 0 H ILE A 108 10.288 -15.085 6.132 1.00 42.33 H new ATOM 0 HA ILE A 108 11.224 -17.744 6.933 1.00 52.22 H new ATOM 0 HB ILE A 108 11.276 -16.380 4.194 1.00 61.01 H new ATOM 0 HG12 ILE A 108 8.944 -16.468 4.941 1.00 45.33 H new ATOM 0 HG13 ILE A 108 9.191 -17.642 3.665 1.00 45.33 H new ATOM 0 HG21 ILE A 108 11.434 -18.693 3.293 1.00 22.24 H new ATOM 0 HG22 ILE A 108 12.812 -18.293 4.345 1.00 22.24 H new ATOM 0 HG23 ILE A 108 11.498 -19.327 4.955 1.00 22.24 H new ATOM 0 HD11 ILE A 108 7.760 -18.555 5.430 1.00 34.03 H new ATOM 0 HD12 ILE A 108 9.289 -19.462 5.340 1.00 34.03 H new ATOM 0 HD13 ILE A 108 9.037 -18.269 6.636 1.00 34.03 H new ATOM 1687 N ARG A 109 13.392 -16.417 7.649 1.00 23.04 N ATOM 1688 CA ARG A 109 14.841 -16.337 7.949 1.00 24.31 C ATOM 1689 C ARG A 109 15.323 -17.709 8.500 1.00 74.52 C ATOM 1690 O ARG A 109 16.520 -18.026 8.472 1.00 25.11 O ATOM 1691 CB ARG A 109 15.113 -15.177 8.961 1.00 64.33 C ATOM 1692 CG ARG A 109 16.602 -14.779 9.131 1.00 61.43 C ATOM 1693 CD ARG A 109 17.231 -14.237 7.830 1.00 14.55 C ATOM 1694 NE ARG A 109 18.653 -13.879 8.015 1.00 52.52 N ATOM 1695 CZ ARG A 109 19.576 -13.873 7.073 1.00 34.04 C ATOM 1696 NH1 ARG A 109 19.295 -14.196 5.851 1.00 33.30 N ATOM 1697 NH2 ARG A 109 20.791 -13.544 7.370 1.00 73.51 N ATOM 0 H ARG A 109 12.802 -16.405 8.481 1.00 23.04 H new ATOM 0 HA ARG A 109 15.402 -16.116 7.041 1.00 24.31 H new ATOM 0 HB2 ARG A 109 14.554 -14.298 8.639 1.00 64.33 H new ATOM 0 HB3 ARG A 109 14.718 -15.467 9.935 1.00 64.33 H new ATOM 0 HG2 ARG A 109 16.684 -14.022 9.911 1.00 61.43 H new ATOM 0 HG3 ARG A 109 17.169 -15.647 9.468 1.00 61.43 H new ATOM 0 HD2 ARG A 109 17.144 -14.988 7.044 1.00 14.55 H new ATOM 0 HD3 ARG A 109 16.676 -13.360 7.496 1.00 14.55 H new ATOM 0 HE ARG A 109 18.947 -13.613 8.955 1.00 52.52 H new ATOM 0 HH11 ARG A 109 18.343 -14.462 5.600 1.00 33.30 H new ATOM 0 HH12 ARG A 109 20.026 -14.184 5.139 1.00 33.30 H new ATOM 0 HH21 ARG A 109 21.031 -13.291 8.329 1.00 73.51 H new ATOM 0 HH22 ARG A 109 21.509 -13.538 6.646 1.00 73.51 H new ATOM 1711 N LYS A 110 14.354 -18.519 8.982 1.00 21.01 N ATOM 1712 CA LYS A 110 14.590 -19.882 9.516 1.00 15.53 C ATOM 1713 C LYS A 110 14.138 -20.962 8.499 1.00 11.21 C ATOM 1714 O LYS A 110 14.976 -21.681 7.949 1.00 23.24 O ATOM 1715 CB LYS A 110 13.825 -20.051 10.862 1.00 62.20 C ATOM 1716 CG LYS A 110 14.331 -19.145 12.005 1.00 62.51 C ATOM 1717 CD LYS A 110 15.779 -19.486 12.418 1.00 52.35 C ATOM 1718 CE LYS A 110 16.316 -18.599 13.553 1.00 24.12 C ATOM 1719 NZ LYS A 110 17.712 -18.963 13.914 1.00 73.24 N ATOM 0 H LYS A 110 13.373 -18.242 9.012 1.00 21.01 H new ATOM 0 HA LYS A 110 15.658 -20.012 9.688 1.00 15.53 H new ATOM 0 HB2 LYS A 110 12.768 -19.845 10.693 1.00 62.20 H new ATOM 0 HB3 LYS A 110 13.900 -21.091 11.180 1.00 62.20 H new ATOM 0 HG2 LYS A 110 14.280 -18.103 11.690 1.00 62.51 H new ATOM 0 HG3 LYS A 110 13.674 -19.250 12.868 1.00 62.51 H new ATOM 0 HD2 LYS A 110 15.824 -20.529 12.730 1.00 52.35 H new ATOM 0 HD3 LYS A 110 16.430 -19.385 11.549 1.00 52.35 H new ATOM 0 HE2 LYS A 110 16.279 -17.553 13.248 1.00 24.12 H new ATOM 0 HE3 LYS A 110 15.675 -18.699 14.429 1.00 24.12 H new ATOM 0 HZ1 LYS A 110 18.044 -18.346 14.682 1.00 73.24 H new ATOM 0 HZ2 LYS A 110 17.742 -19.954 14.228 1.00 73.24 H new ATOM 0 HZ3 LYS A 110 18.327 -18.844 13.084 1.00 73.24 H new ATOM 1733 N ALA A 111 12.802 -21.035 8.265 1.00 62.02 N ATOM 1734 CA ALA A 111 12.142 -22.066 7.419 1.00 32.22 C ATOM 1735 C ALA A 111 12.497 -23.508 7.878 1.00 21.22 C ATOM 1736 O ALA A 111 13.408 -24.138 7.330 1.00 43.33 O ATOM 1737 CB ALA A 111 12.450 -21.843 5.923 1.00 11.11 C ATOM 0 H ALA A 111 12.142 -20.368 8.665 1.00 62.02 H new ATOM 0 HA ALA A 111 11.066 -21.954 7.549 1.00 32.22 H new ATOM 0 HB1 ALA A 111 11.954 -22.612 5.331 1.00 11.11 H new ATOM 0 HB2 ALA A 111 12.087 -20.861 5.619 1.00 11.11 H new ATOM 0 HB3 ALA A 111 13.526 -21.898 5.761 1.00 11.11 H new ATOM 1743 N MET A 112 11.805 -23.998 8.925 1.00 13.13 N ATOM 1744 CA MET A 112 12.069 -25.346 9.504 1.00 61.24 C ATOM 1745 C MET A 112 10.788 -25.992 10.098 1.00 74.32 C ATOM 1746 O MET A 112 10.867 -27.041 10.749 1.00 14.23 O ATOM 1747 CB MET A 112 13.191 -25.252 10.585 1.00 40.40 C ATOM 1748 CG MET A 112 12.837 -24.400 11.814 1.00 34.51 C ATOM 1749 SD MET A 112 14.189 -24.296 13.015 1.00 50.21 S ATOM 1750 CE MET A 112 15.459 -23.448 12.075 1.00 15.20 C ATOM 0 H MET A 112 11.057 -23.486 9.393 1.00 13.13 H new ATOM 0 HA MET A 112 12.403 -25.993 8.693 1.00 61.24 H new ATOM 0 HB2 MET A 112 13.439 -26.260 10.919 1.00 40.40 H new ATOM 0 HB3 MET A 112 14.088 -24.840 10.122 1.00 40.40 H new ATOM 0 HG2 MET A 112 12.570 -23.395 11.488 1.00 34.51 H new ATOM 0 HG3 MET A 112 11.957 -24.822 12.301 1.00 34.51 H new ATOM 0 HE1 MET A 112 15.943 -22.703 12.707 1.00 15.20 H new ATOM 0 HE2 MET A 112 16.201 -24.169 11.732 1.00 15.20 H new ATOM 0 HE3 MET A 112 15.007 -22.955 11.214 1.00 15.20 H new ATOM 1760 N THR A 113 9.617 -25.360 9.865 1.00 3.33 N ATOM 1761 CA THR A 113 8.304 -25.879 10.326 1.00 61.20 C ATOM 1762 C THR A 113 7.796 -26.998 9.364 1.00 3.42 C ATOM 1763 O THR A 113 7.371 -26.682 8.230 1.00 36.71 O ATOM 1764 CB THR A 113 7.239 -24.725 10.426 1.00 22.41 C ATOM 1765 OG1 THR A 113 7.737 -23.675 11.270 1.00 13.31 O ATOM 1766 CG2 THR A 113 5.882 -25.212 10.981 1.00 4.35 C ATOM 1767 OXT THR A 113 7.839 -28.190 9.738 1.00 36.71 O ATOM 0 H THR A 113 9.552 -24.479 9.355 1.00 3.33 H new ATOM 0 HA THR A 113 8.440 -26.301 11.322 1.00 61.20 H new ATOM 0 HB THR A 113 7.072 -24.361 9.412 1.00 22.41 H new ATOM 0 HG1 THR A 113 7.071 -22.958 11.328 1.00 13.31 H new ATOM 0 HG21 THR A 113 5.186 -24.374 11.028 1.00 4.35 H new ATOM 0 HG22 THR A 113 5.477 -25.984 10.326 1.00 4.35 H new ATOM 0 HG23 THR A 113 6.024 -25.622 11.981 1.00 4.35 H new TER 1775 THR A 113