USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 424 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 32 CYS SG : rot -149:sc= 0.257 USER MOD Set 1.2: A 35 CYS SG : rot -97:sc= 0.787 USER MOD Set 1.3: A 54 CYS SG : rot 153:sc= 0.987 USER MOD Set 1.4: A 57 CYS SG : rot -49:sc= 0.905 USER MOD Set 2.1: A 17 SER OG : rot -140:sc= -1.24 USER MOD Set 2.2: A 48 GLN : amide:sc= -0.71 K(o=-1.9,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -174:sc= 0 (180deg=-0.0229) USER MOD Single : A 5 SER OG : rot 180:sc= -0.249 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.0254 K(o=0.025,f=-4.2!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.031) USER MOD Single : A 13 HIS : no HE2:sc= -1.35 X(o=-1.3,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= -0.0382 K(o=-0.038,f=-0.84) USER MOD Single : A 15 CYS SG : rot -170:sc= 0.0117 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.472 K(o=-0.47,f=-3.7!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -39:sc= 0.323 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -0.35 (180deg=-1.95!) USER MOD Single : A 37 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.6!) USER MOD Single : A 40 SER OG : rot 19:sc= 0.754 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0717 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0628) USER MOD Single : A 45 CYS SG : rot -81:sc= -0.0251 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 17:sc= 0.358 USER MOD Single : A 50 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.52) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.800 7.480 -7.243 1.00 14.44 N ATOM 2 CA GLY A 1 10.915 8.212 -5.994 1.00 71.44 C ATOM 3 C GLY A 1 9.956 9.383 -5.918 1.00 31.01 C ATOM 4 O GLY A 1 10.361 10.536 -6.062 1.00 23.11 O ATOM 0 H1 GLY A 1 11.476 6.690 -7.246 1.00 14.44 H new ATOM 0 H2 GLY A 1 9.833 7.109 -7.340 1.00 14.44 H new ATOM 0 H3 GLY A 1 11.008 8.116 -8.039 1.00 14.44 H new ATOM 0 HA2 GLY A 1 10.724 7.535 -5.161 1.00 71.44 H new ATOM 0 HA3 GLY A 1 11.937 8.575 -5.882 1.00 71.44 H new ATOM 8 N ALA A 2 8.680 9.087 -5.692 1.00 50.52 N ATOM 9 CA ALA A 2 7.661 10.125 -5.597 1.00 12.23 C ATOM 10 C ALA A 2 8.006 11.135 -4.507 1.00 74.40 C ATOM 11 O ALA A 2 8.957 10.944 -3.750 1.00 32.00 O ATOM 12 CB ALA A 2 6.298 9.503 -5.331 1.00 11.42 C ATOM 0 H ALA A 2 8.328 8.137 -5.571 1.00 50.52 H new ATOM 0 HA ALA A 2 7.627 10.655 -6.549 1.00 12.23 H new ATOM 0 HB1 ALA A 2 5.546 10.289 -5.262 1.00 11.42 H new ATOM 0 HB2 ALA A 2 6.042 8.826 -6.146 1.00 11.42 H new ATOM 0 HB3 ALA A 2 6.328 8.947 -4.394 1.00 11.42 H new ATOM 18 N MET A 3 7.227 12.209 -4.434 1.00 75.11 N ATOM 19 CA MET A 3 7.450 13.248 -3.436 1.00 2.31 C ATOM 20 C MET A 3 6.931 12.811 -2.070 1.00 23.31 C ATOM 21 O MET A 3 5.936 12.094 -1.974 1.00 22.33 O ATOM 22 CB MET A 3 6.767 14.549 -3.861 1.00 52.23 C ATOM 23 CG MET A 3 5.250 14.498 -3.766 1.00 45.44 C ATOM 24 SD MET A 3 4.443 15.577 -4.965 1.00 60.51 S ATOM 25 CE MET A 3 5.013 17.183 -4.414 1.00 33.45 C ATOM 0 H MET A 3 6.436 12.382 -5.054 1.00 75.11 H new ATOM 0 HA MET A 3 8.524 13.418 -3.360 1.00 2.31 H new ATOM 0 HB2 MET A 3 7.135 15.364 -3.237 1.00 52.23 H new ATOM 0 HB3 MET A 3 7.051 14.780 -4.888 1.00 52.23 H new ATOM 0 HG2 MET A 3 4.914 13.473 -3.922 1.00 45.44 H new ATOM 0 HG3 MET A 3 4.943 14.785 -2.760 1.00 45.44 H new ATOM 0 HE1 MET A 3 4.515 17.963 -4.990 1.00 33.45 H new ATOM 0 HE2 MET A 3 4.781 17.308 -3.356 1.00 33.45 H new ATOM 0 HE3 MET A 3 6.091 17.256 -4.560 1.00 33.45 H new ATOM 35 N GLY A 4 7.613 13.247 -1.015 1.00 11.30 N ATOM 36 CA GLY A 4 7.206 12.890 0.331 1.00 35.22 C ATOM 37 C GLY A 4 6.431 13.998 1.016 1.00 10.31 C ATOM 38 O GLY A 4 6.995 14.772 1.790 1.00 53.44 O ATOM 0 H GLY A 4 8.440 13.841 -1.069 1.00 11.30 H new ATOM 0 HA2 GLY A 4 6.592 11.990 0.295 1.00 35.22 H new ATOM 0 HA3 GLY A 4 8.089 12.649 0.923 1.00 35.22 H new ATOM 42 N SER A 5 5.135 14.076 0.731 1.00 42.54 N ATOM 43 CA SER A 5 4.283 15.102 1.321 1.00 50.25 C ATOM 44 C SER A 5 3.763 14.658 2.685 1.00 43.24 C ATOM 45 O SER A 5 4.015 15.309 3.698 1.00 43.21 O ATOM 46 CB SER A 5 3.108 15.415 0.392 1.00 42.31 C ATOM 47 OG SER A 5 3.537 15.523 -0.954 1.00 60.25 O ATOM 0 H SER A 5 4.652 13.441 0.095 1.00 42.54 H new ATOM 0 HA SER A 5 4.881 16.003 1.455 1.00 50.25 H new ATOM 0 HB2 SER A 5 2.356 14.631 0.475 1.00 42.31 H new ATOM 0 HB3 SER A 5 2.634 16.346 0.702 1.00 42.31 H new ATOM 0 HG SER A 5 2.768 15.722 -1.528 1.00 60.25 H new ATOM 53 N GLU A 6 3.037 13.545 2.700 1.00 14.24 N ATOM 54 CA GLU A 6 2.481 13.014 3.939 1.00 15.45 C ATOM 55 C GLU A 6 3.464 12.062 4.614 1.00 45.44 C ATOM 56 O GLU A 6 3.598 12.054 5.837 1.00 14.52 O ATOM 57 CB GLU A 6 1.161 12.290 3.663 1.00 2.24 C ATOM 58 CG GLU A 6 0.674 11.448 4.830 1.00 35.21 C ATOM 59 CD GLU A 6 0.423 12.270 6.079 1.00 2.31 C ATOM 60 OE1 GLU A 6 -0.161 13.367 5.961 1.00 52.34 O ATOM 61 OE2 GLU A 6 0.812 11.816 7.176 1.00 61.14 O ATOM 0 H GLU A 6 2.820 12.994 1.869 1.00 14.24 H new ATOM 0 HA GLU A 6 2.294 13.852 4.611 1.00 15.45 H new ATOM 0 HB2 GLU A 6 0.397 13.027 3.414 1.00 2.24 H new ATOM 0 HB3 GLU A 6 1.283 11.649 2.790 1.00 2.24 H new ATOM 0 HG2 GLU A 6 -0.246 10.937 4.545 1.00 35.21 H new ATOM 0 HG3 GLU A 6 1.412 10.677 5.050 1.00 35.21 H new ATOM 68 N SER A 7 4.151 11.261 3.806 1.00 61.24 N ATOM 69 CA SER A 7 5.120 10.302 4.323 1.00 32.51 C ATOM 70 C SER A 7 6.197 11.006 5.142 1.00 22.43 C ATOM 71 O SER A 7 6.518 10.588 6.254 1.00 34.25 O ATOM 72 CB SER A 7 5.764 9.524 3.173 1.00 13.34 C ATOM 73 OG SER A 7 6.190 8.242 3.600 1.00 1.14 O ATOM 0 H SER A 7 4.054 11.257 2.791 1.00 61.24 H new ATOM 0 HA SER A 7 4.592 9.604 4.973 1.00 32.51 H new ATOM 0 HB2 SER A 7 5.050 9.420 2.356 1.00 13.34 H new ATOM 0 HB3 SER A 7 6.615 10.083 2.784 1.00 13.34 H new ATOM 0 HG SER A 7 6.596 7.765 2.847 1.00 1.14 H new ATOM 79 N GLU A 8 6.752 12.076 4.583 1.00 51.40 N ATOM 80 CA GLU A 8 7.794 12.838 5.261 1.00 10.31 C ATOM 81 C GLU A 8 7.198 14.021 6.019 1.00 54.14 C ATOM 82 O GLU A 8 6.061 14.421 5.769 1.00 40.35 O ATOM 83 CB GLU A 8 8.832 13.335 4.252 1.00 14.44 C ATOM 84 CG GLU A 8 9.819 12.266 3.818 1.00 62.41 C ATOM 85 CD GLU A 8 10.895 12.805 2.896 1.00 44.03 C ATOM 86 OE1 GLU A 8 10.542 13.385 1.847 1.00 34.54 O ATOM 87 OE2 GLU A 8 12.090 12.648 3.222 1.00 64.33 O ATOM 0 H GLU A 8 6.498 12.435 3.663 1.00 51.40 H new ATOM 0 HA GLU A 8 8.282 12.178 5.978 1.00 10.31 H new ATOM 0 HB2 GLU A 8 8.316 13.720 3.372 1.00 14.44 H new ATOM 0 HB3 GLU A 8 9.381 14.169 4.689 1.00 14.44 H new ATOM 0 HG2 GLU A 8 10.287 11.829 4.700 1.00 62.41 H new ATOM 0 HG3 GLU A 8 9.281 11.464 3.313 1.00 62.41 H new ATOM 94 N GLN A 9 7.973 14.575 6.945 1.00 22.42 N ATOM 95 CA GLN A 9 7.521 15.710 7.740 1.00 3.41 C ATOM 96 C GLN A 9 7.609 17.005 6.939 1.00 44.12 C ATOM 97 O GLN A 9 7.899 16.987 5.742 1.00 15.42 O ATOM 98 CB GLN A 9 8.354 15.830 9.017 1.00 23.35 C ATOM 99 CG GLN A 9 8.335 14.575 9.876 1.00 52.21 C ATOM 100 CD GLN A 9 9.440 13.603 9.514 1.00 61.13 C ATOM 101 OE1 GLN A 9 10.252 13.870 8.628 1.00 42.35 O ATOM 102 NE2 GLN A 9 9.477 12.466 10.199 1.00 1.21 N ATOM 0 H GLN A 9 8.917 14.256 7.163 1.00 22.42 H new ATOM 0 HA GLN A 9 6.479 15.540 8.009 1.00 3.41 H new ATOM 0 HB2 GLN A 9 9.385 16.061 8.748 1.00 23.35 H new ATOM 0 HB3 GLN A 9 7.983 16.669 9.606 1.00 23.35 H new ATOM 0 HG2 GLN A 9 8.433 14.856 10.925 1.00 52.21 H new ATOM 0 HG3 GLN A 9 7.370 14.079 9.767 1.00 52.21 H new ATOM 0 HE21 GLN A 9 8.784 12.285 10.925 1.00 1.21 H new ATOM 0 HE22 GLN A 9 10.198 11.773 9.999 1.00 1.21 H new ATOM 111 N ARG A 10 7.358 18.127 7.606 1.00 31.52 N ATOM 112 CA ARG A 10 7.407 19.430 6.955 1.00 3.25 C ATOM 113 C ARG A 10 8.223 20.420 7.782 1.00 14.04 C ATOM 114 O ARG A 10 7.673 21.344 8.383 1.00 43.43 O ATOM 115 CB ARG A 10 5.992 19.971 6.742 1.00 4.41 C ATOM 116 CG ARG A 10 5.098 19.835 7.963 1.00 14.11 C ATOM 117 CD ARG A 10 4.326 18.525 7.945 1.00 25.52 C ATOM 118 NE ARG A 10 4.059 18.028 9.292 1.00 5.15 N ATOM 119 CZ ARG A 10 3.596 16.810 9.548 1.00 34.03 C ATOM 120 NH1 ARG A 10 3.349 15.968 8.554 1.00 41.52 N ATOM 121 NH2 ARG A 10 3.378 16.431 10.801 1.00 11.23 N ATOM 0 H ARG A 10 7.119 18.159 8.597 1.00 31.52 H new ATOM 0 HA ARG A 10 7.891 19.307 5.986 1.00 3.25 H new ATOM 0 HB2 ARG A 10 6.053 21.023 6.462 1.00 4.41 H new ATOM 0 HB3 ARG A 10 5.533 19.444 5.905 1.00 4.41 H new ATOM 0 HG2 ARG A 10 5.704 19.889 8.867 1.00 14.11 H new ATOM 0 HG3 ARG A 10 4.399 20.670 7.998 1.00 14.11 H new ATOM 0 HD2 ARG A 10 3.383 18.667 7.418 1.00 25.52 H new ATOM 0 HD3 ARG A 10 4.892 17.778 7.389 1.00 25.52 H new ATOM 0 HE ARG A 10 4.238 18.651 10.080 1.00 5.15 H new ATOM 0 HH11 ARG A 10 3.515 16.255 7.589 1.00 41.52 H new ATOM 0 HH12 ARG A 10 2.993 15.033 8.754 1.00 41.52 H new ATOM 0 HH21 ARG A 10 3.566 17.076 11.569 1.00 11.23 H new ATOM 0 HH22 ARG A 10 3.022 15.495 10.996 1.00 11.23 H new ATOM 135 N HIS A 11 9.536 20.220 7.810 1.00 64.53 N ATOM 136 CA HIS A 11 10.428 21.094 8.563 1.00 12.40 C ATOM 137 C HIS A 11 11.342 21.876 7.625 1.00 41.42 C ATOM 138 O HIS A 11 12.441 21.429 7.298 1.00 1.32 O ATOM 139 CB HIS A 11 11.266 20.278 9.547 1.00 11.15 C ATOM 140 CG HIS A 11 10.455 19.347 10.396 1.00 43.41 C ATOM 141 ND1 HIS A 11 10.871 18.075 10.725 1.00 21.54 N ATOM 142 CD2 HIS A 11 9.248 19.511 10.985 1.00 54.22 C ATOM 143 CE1 HIS A 11 9.953 17.495 11.479 1.00 45.24 C ATOM 144 NE2 HIS A 11 8.958 18.346 11.651 1.00 1.14 N ATOM 0 H HIS A 11 10.007 19.460 7.319 1.00 64.53 H new ATOM 0 HA HIS A 11 9.816 21.803 9.120 1.00 12.40 H new ATOM 0 HB2 HIS A 11 12.004 19.700 8.991 1.00 11.15 H new ATOM 0 HB3 HIS A 11 11.817 20.960 10.194 1.00 11.15 H new ATOM 0 HD2 HIS A 11 8.628 20.394 10.940 1.00 54.22 H new ATOM 0 HE1 HIS A 11 10.007 16.496 11.885 1.00 45.24 H new ATOM 0 HE2 HIS A 11 8.111 18.167 12.191 1.00 1.14 H new ATOM 152 N ALA A 12 10.880 23.046 7.195 1.00 72.25 N ATOM 153 CA ALA A 12 11.656 23.890 6.295 1.00 3.12 C ATOM 154 C ALA A 12 10.953 25.220 6.047 1.00 71.05 C ATOM 155 O ALA A 12 9.939 25.277 5.350 1.00 61.24 O ATOM 156 CB ALA A 12 11.907 23.169 4.979 1.00 33.00 C ATOM 0 H ALA A 12 9.972 23.431 7.456 1.00 72.25 H new ATOM 0 HA ALA A 12 12.615 24.099 6.770 1.00 3.12 H new ATOM 0 HB1 ALA A 12 12.488 23.812 4.317 1.00 33.00 H new ATOM 0 HB2 ALA A 12 12.460 22.249 5.168 1.00 33.00 H new ATOM 0 HB3 ALA A 12 10.954 22.929 4.508 1.00 33.00 H new ATOM 162 N HIS A 13 11.496 26.288 6.621 1.00 4.32 N ATOM 163 CA HIS A 13 10.920 27.619 6.462 1.00 61.34 C ATOM 164 C HIS A 13 11.458 28.296 5.205 1.00 54.43 C ATOM 165 O HIS A 13 12.613 28.717 5.162 1.00 42.20 O ATOM 166 CB HIS A 13 11.223 28.479 7.688 1.00 1.44 C ATOM 167 CG HIS A 13 10.135 28.461 8.717 1.00 74.51 C ATOM 168 ND1 HIS A 13 10.093 29.332 9.785 1.00 23.51 N ATOM 169 CD2 HIS A 13 9.042 27.670 8.835 1.00 0.34 C ATOM 170 CE1 HIS A 13 9.023 29.077 10.517 1.00 25.31 C ATOM 171 NE2 HIS A 13 8.368 28.073 9.962 1.00 42.20 N ATOM 0 H HIS A 13 12.335 26.258 7.201 1.00 4.32 H new ATOM 0 HA HIS A 13 9.840 27.511 6.362 1.00 61.34 H new ATOM 0 HB2 HIS A 13 12.150 28.132 8.145 1.00 1.44 H new ATOM 0 HB3 HIS A 13 11.392 29.507 7.368 1.00 1.44 H new ATOM 0 HD1 HIS A 13 10.781 30.060 9.980 1.00 23.51 H new ATOM 0 HD2 HIS A 13 8.754 26.871 8.167 1.00 0.34 H new ATOM 0 HE1 HIS A 13 8.733 29.600 11.416 1.00 25.31 H new ATOM 179 N GLN A 14 10.611 28.397 4.185 1.00 65.04 N ATOM 180 CA GLN A 14 11.003 29.022 2.927 1.00 40.11 C ATOM 181 C GLN A 14 10.070 30.178 2.580 1.00 62.32 C ATOM 182 O GLN A 14 9.016 30.344 3.195 1.00 62.41 O ATOM 183 CB GLN A 14 10.999 27.991 1.797 1.00 32.33 C ATOM 184 CG GLN A 14 12.340 27.304 1.595 1.00 32.15 C ATOM 185 CD GLN A 14 12.196 25.868 1.130 1.00 42.42 C ATOM 186 OE1 GLN A 14 11.158 25.478 0.594 1.00 45.42 O ATOM 187 NE2 GLN A 14 13.240 25.073 1.332 1.00 31.22 N ATOM 0 H GLN A 14 9.650 28.055 4.205 1.00 65.04 H new ATOM 0 HA GLN A 14 12.012 29.416 3.045 1.00 40.11 H new ATOM 0 HB2 GLN A 14 10.242 27.236 2.008 1.00 32.33 H new ATOM 0 HB3 GLN A 14 10.709 28.483 0.869 1.00 32.33 H new ATOM 0 HG2 GLN A 14 12.923 27.862 0.863 1.00 32.15 H new ATOM 0 HG3 GLN A 14 12.899 27.325 2.530 1.00 32.15 H new ATOM 0 HE21 GLN A 14 14.080 25.439 1.780 1.00 31.22 H new ATOM 0 HE22 GLN A 14 13.202 24.097 1.039 1.00 31.22 H new ATOM 196 N CYS A 15 10.465 30.973 1.592 1.00 14.40 N ATOM 197 CA CYS A 15 9.664 32.115 1.164 1.00 71.03 C ATOM 198 C CYS A 15 8.387 31.653 0.470 1.00 54.42 C ATOM 199 O CYS A 15 8.392 30.675 -0.277 1.00 60.31 O ATOM 200 CB CYS A 15 10.474 33.009 0.224 1.00 5.24 C ATOM 201 SG CYS A 15 9.746 34.641 -0.053 1.00 70.40 S ATOM 0 H CYS A 15 11.334 30.848 1.073 1.00 14.40 H new ATOM 0 HA CYS A 15 9.389 32.687 2.050 1.00 71.03 H new ATOM 0 HB2 CYS A 15 11.476 33.135 0.634 1.00 5.24 H new ATOM 0 HB3 CYS A 15 10.583 32.504 -0.736 1.00 5.24 H new ATOM 0 HG CYS A 15 10.382 35.242 -1.014 1.00 70.40 H new ATOM 207 N VAL A 16 7.292 32.364 0.723 1.00 71.22 N ATOM 208 CA VAL A 16 6.006 32.027 0.123 1.00 23.11 C ATOM 209 C VAL A 16 5.979 32.389 -1.358 1.00 20.34 C ATOM 210 O VAL A 16 5.257 31.776 -2.144 1.00 15.13 O ATOM 211 CB VAL A 16 4.848 32.747 0.838 1.00 54.42 C ATOM 212 CG1 VAL A 16 4.861 32.434 2.326 1.00 33.12 C ATOM 213 CG2 VAL A 16 4.926 34.248 0.600 1.00 61.21 C ATOM 0 H VAL A 16 7.270 33.177 1.339 1.00 71.22 H new ATOM 0 HA VAL A 16 5.877 30.950 0.233 1.00 23.11 H new ATOM 0 HB VAL A 16 3.907 32.384 0.423 1.00 54.42 H new ATOM 0 HG11 VAL A 16 4.035 32.952 2.814 1.00 33.12 H new ATOM 0 HG12 VAL A 16 4.753 31.359 2.473 1.00 33.12 H new ATOM 0 HG13 VAL A 16 5.804 32.766 2.759 1.00 33.12 H new ATOM 0 HG21 VAL A 16 4.100 34.741 1.113 1.00 61.21 H new ATOM 0 HG22 VAL A 16 5.872 34.629 0.986 1.00 61.21 H new ATOM 0 HG23 VAL A 16 4.862 34.451 -0.469 1.00 61.21 H new ATOM 223 N SER A 17 6.772 33.388 -1.732 1.00 15.13 N ATOM 224 CA SER A 17 6.836 33.834 -3.118 1.00 42.54 C ATOM 225 C SER A 17 7.693 32.889 -3.954 1.00 64.21 C ATOM 226 O SER A 17 7.211 32.274 -4.906 1.00 43.02 O ATOM 227 CB SER A 17 7.401 35.254 -3.194 1.00 3.25 C ATOM 228 OG SER A 17 6.862 35.960 -4.298 1.00 20.03 O ATOM 0 H SER A 17 7.379 33.903 -1.094 1.00 15.13 H new ATOM 0 HA SER A 17 5.823 33.831 -3.521 1.00 42.54 H new ATOM 0 HB2 SER A 17 7.175 35.788 -2.271 1.00 3.25 H new ATOM 0 HB3 SER A 17 8.487 35.212 -3.280 1.00 3.25 H new ATOM 0 HG SER A 17 7.566 36.497 -4.718 1.00 20.03 H new ATOM 234 N CYS A 18 8.966 32.778 -3.591 1.00 63.01 N ATOM 235 CA CYS A 18 9.893 31.908 -4.307 1.00 53.01 C ATOM 236 C CYS A 18 10.257 30.690 -3.464 1.00 2.51 C ATOM 237 O CYS A 18 9.766 29.588 -3.702 1.00 64.14 O ATOM 238 CB CYS A 18 11.158 32.678 -4.686 1.00 43.25 C ATOM 239 SG CYS A 18 12.428 31.666 -5.481 1.00 63.31 S ATOM 0 H CYS A 18 9.380 33.279 -2.805 1.00 63.01 H new ATOM 0 HA CYS A 18 9.401 31.563 -5.216 1.00 53.01 H new ATOM 0 HB2 CYS A 18 10.887 33.494 -5.356 1.00 43.25 H new ATOM 0 HB3 CYS A 18 11.578 33.130 -3.787 1.00 43.25 H new ATOM 0 HG CYS A 18 13.458 32.407 -5.766 1.00 63.31 H new ATOM 245 N GLY A 19 11.124 30.898 -2.477 1.00 14.42 N ATOM 246 CA GLY A 19 11.541 29.808 -1.614 1.00 51.52 C ATOM 247 C GLY A 19 12.922 30.028 -1.030 1.00 22.20 C ATOM 248 O GLY A 19 13.708 29.088 -0.908 1.00 62.33 O ATOM 0 H GLY A 19 11.545 31.802 -2.260 1.00 14.42 H new ATOM 0 HA2 GLY A 19 10.821 29.694 -0.804 1.00 51.52 H new ATOM 0 HA3 GLY A 19 11.533 28.877 -2.180 1.00 51.52 H new ATOM 252 N ILE A 20 13.220 31.271 -0.669 1.00 54.51 N ATOM 253 CA ILE A 20 14.516 31.611 -0.095 1.00 71.43 C ATOM 254 C ILE A 20 14.790 30.795 1.164 1.00 51.31 C ATOM 255 O ILE A 20 13.882 30.520 1.947 1.00 70.22 O ATOM 256 CB ILE A 20 14.605 33.109 0.248 1.00 40.44 C ATOM 257 CG1 ILE A 20 14.401 33.956 -1.011 1.00 20.24 C ATOM 258 CG2 ILE A 20 15.945 33.426 0.894 1.00 3.10 C ATOM 259 CD1 ILE A 20 12.993 34.490 -1.158 1.00 24.30 C ATOM 0 H ILE A 20 12.581 32.060 -0.764 1.00 54.51 H new ATOM 0 HA ILE A 20 15.267 31.375 -0.849 1.00 71.43 H new ATOM 0 HB ILE A 20 13.815 33.351 0.959 1.00 40.44 H new ATOM 0 HG12 ILE A 20 15.099 34.793 -0.993 1.00 20.24 H new ATOM 0 HG13 ILE A 20 14.647 33.356 -1.887 1.00 20.24 H new ATOM 0 HG21 ILE A 20 15.992 34.489 1.131 1.00 3.10 H new ATOM 0 HG22 ILE A 20 16.054 32.845 1.810 1.00 3.10 H new ATOM 0 HG23 ILE A 20 16.750 33.171 0.205 1.00 3.10 H new ATOM 0 HD11 ILE A 20 12.921 35.081 -2.071 1.00 24.30 H new ATOM 0 HD12 ILE A 20 12.291 33.657 -1.208 1.00 24.30 H new ATOM 0 HD13 ILE A 20 12.750 35.117 -0.300 1.00 24.30 H new ATOM 271 N ASN A 21 16.049 30.414 1.353 1.00 70.32 N ATOM 272 CA ASN A 21 16.444 29.631 2.518 1.00 34.32 C ATOM 273 C ASN A 21 16.551 30.515 3.757 1.00 45.14 C ATOM 274 O ASN A 21 17.616 30.619 4.367 1.00 41.15 O ATOM 275 CB ASN A 21 17.779 28.931 2.260 1.00 64.33 C ATOM 276 CG ASN A 21 18.834 29.878 1.722 1.00 41.41 C ATOM 277 OD1 ASN A 21 18.689 31.098 1.805 1.00 51.14 O ATOM 278 ND2 ASN A 21 19.903 29.320 1.167 1.00 63.23 N ATOM 0 H ASN A 21 16.813 30.635 0.714 1.00 70.32 H new ATOM 0 HA ASN A 21 15.676 28.878 2.696 1.00 34.32 H new ATOM 0 HB2 ASN A 21 18.136 28.483 3.187 1.00 64.33 H new ATOM 0 HB3 ASN A 21 17.628 28.118 1.550 1.00 64.33 H new ATOM 0 HD21 ASN A 21 20.646 29.907 0.788 1.00 63.23 H new ATOM 0 HD22 ASN A 21 19.981 28.304 1.120 1.00 63.23 H new ATOM 285 N ILE A 22 15.443 31.149 4.122 1.00 14.33 N ATOM 286 CA ILE A 22 15.412 32.023 5.289 1.00 42.04 C ATOM 287 C ILE A 22 14.876 31.288 6.512 1.00 32.03 C ATOM 288 O ILE A 22 14.179 31.870 7.343 1.00 51.33 O ATOM 289 CB ILE A 22 14.548 33.272 5.034 1.00 34.11 C ATOM 290 CG1 ILE A 22 13.144 32.864 4.583 1.00 34.31 C ATOM 291 CG2 ILE A 22 15.204 34.168 3.995 1.00 63.25 C ATOM 292 CD1 ILE A 22 12.168 34.018 4.527 1.00 74.02 C ATOM 0 H ILE A 22 14.554 31.074 3.627 1.00 14.33 H new ATOM 0 HA ILE A 22 16.439 32.335 5.477 1.00 42.04 H new ATOM 0 HB ILE A 22 14.462 33.832 5.965 1.00 34.11 H new ATOM 0 HG12 ILE A 22 13.207 32.404 3.597 1.00 34.31 H new ATOM 0 HG13 ILE A 22 12.758 32.105 5.264 1.00 34.31 H new ATOM 0 HG21 ILE A 22 14.581 35.046 3.826 1.00 63.25 H new ATOM 0 HG22 ILE A 22 16.185 34.482 4.353 1.00 63.25 H new ATOM 0 HG23 ILE A 22 15.318 33.619 3.060 1.00 63.25 H new ATOM 0 HD11 ILE A 22 11.194 33.655 4.200 1.00 74.02 H new ATOM 0 HD12 ILE A 22 12.075 34.464 5.517 1.00 74.02 H new ATOM 0 HD13 ILE A 22 12.531 34.768 3.824 1.00 74.02 H new ATOM 304 N ALA A 23 15.207 30.005 6.618 1.00 44.33 N ATOM 305 CA ALA A 23 14.762 29.191 7.742 1.00 45.21 C ATOM 306 C ALA A 23 15.441 29.625 9.037 1.00 41.34 C ATOM 307 O ALA A 23 16.656 29.498 9.185 1.00 13.41 O ATOM 308 CB ALA A 23 15.035 27.720 7.468 1.00 23.55 C ATOM 0 H ALA A 23 15.782 29.507 5.939 1.00 44.33 H new ATOM 0 HA ALA A 23 13.688 29.334 7.860 1.00 45.21 H new ATOM 0 HB1 ALA A 23 14.698 27.123 8.316 1.00 23.55 H new ATOM 0 HB2 ALA A 23 14.499 27.411 6.571 1.00 23.55 H new ATOM 0 HB3 ALA A 23 16.105 27.570 7.321 1.00 23.55 H new ATOM 314 N GLY A 24 14.648 30.139 9.972 1.00 51.21 N ATOM 315 CA GLY A 24 15.191 30.585 11.242 1.00 54.22 C ATOM 316 C GLY A 24 16.074 31.809 11.097 1.00 34.23 C ATOM 317 O GLY A 24 16.866 32.119 11.986 1.00 30.03 O ATOM 0 H GLY A 24 13.639 30.255 9.873 1.00 51.21 H new ATOM 0 HA2 GLY A 24 14.372 30.811 11.925 1.00 54.22 H new ATOM 0 HA3 GLY A 24 15.767 29.776 11.691 1.00 54.22 H new ATOM 321 N MET A 25 15.938 32.505 9.973 1.00 22.12 N ATOM 322 CA MET A 25 16.731 33.701 9.716 1.00 41.45 C ATOM 323 C MET A 25 15.875 34.958 9.840 1.00 62.10 C ATOM 324 O MET A 25 14.715 34.892 10.246 1.00 1.33 O ATOM 325 CB MET A 25 17.358 33.633 8.322 1.00 41.23 C ATOM 326 CG MET A 25 18.248 32.418 8.114 1.00 0.54 C ATOM 327 SD MET A 25 19.808 32.540 9.010 1.00 63.41 S ATOM 328 CE MET A 25 20.869 33.242 7.749 1.00 52.00 C ATOM 0 H MET A 25 15.287 32.262 9.227 1.00 22.12 H new ATOM 0 HA MET A 25 17.524 33.748 10.462 1.00 41.45 H new ATOM 0 HB2 MET A 25 16.564 33.623 7.576 1.00 41.23 H new ATOM 0 HB3 MET A 25 17.944 34.536 8.152 1.00 41.23 H new ATOM 0 HG2 MET A 25 17.716 31.523 8.438 1.00 0.54 H new ATOM 0 HG3 MET A 25 18.453 32.300 7.050 1.00 0.54 H new ATOM 0 HE1 MET A 25 21.873 33.378 8.152 1.00 52.00 H new ATOM 0 HE2 MET A 25 20.910 32.569 6.892 1.00 52.00 H new ATOM 0 HE3 MET A 25 20.471 34.207 7.434 1.00 52.00 H new ATOM 338 N SER A 26 16.455 36.101 9.488 1.00 23.10 N ATOM 339 CA SER A 26 15.747 37.373 9.564 1.00 15.05 C ATOM 340 C SER A 26 14.800 37.540 8.379 1.00 22.34 C ATOM 341 O SER A 26 15.229 37.555 7.226 1.00 30.40 O ATOM 342 CB SER A 26 16.742 38.534 9.604 1.00 41.01 C ATOM 343 OG SER A 26 16.166 39.718 9.080 1.00 71.12 O ATOM 0 H SER A 26 17.414 36.172 9.147 1.00 23.10 H new ATOM 0 HA SER A 26 15.158 37.378 10.481 1.00 15.05 H new ATOM 0 HB2 SER A 26 17.064 38.706 10.631 1.00 41.01 H new ATOM 0 HB3 SER A 26 17.632 38.274 9.031 1.00 41.01 H new ATOM 0 HG SER A 26 16.822 40.445 9.118 1.00 71.12 H new ATOM 349 N ALA A 27 13.510 37.665 8.673 1.00 22.35 N ATOM 350 CA ALA A 27 12.502 37.832 7.634 1.00 44.32 C ATOM 351 C ALA A 27 11.112 37.994 8.238 1.00 33.32 C ATOM 352 O ALA A 27 10.906 37.737 9.424 1.00 64.41 O ATOM 353 CB ALA A 27 12.530 36.650 6.676 1.00 0.15 C ATOM 0 H ALA A 27 13.139 37.654 9.623 1.00 22.35 H new ATOM 0 HA ALA A 27 12.736 38.740 7.079 1.00 44.32 H new ATOM 0 HB1 ALA A 27 11.772 36.788 5.905 1.00 0.15 H new ATOM 0 HB2 ALA A 27 13.513 36.583 6.210 1.00 0.15 H new ATOM 0 HB3 ALA A 27 12.325 35.731 7.226 1.00 0.15 H new ATOM 359 N ALA A 28 10.160 38.422 7.415 1.00 20.22 N ATOM 360 CA ALA A 28 8.788 38.616 7.869 1.00 45.12 C ATOM 361 C ALA A 28 8.220 37.332 8.464 1.00 1.53 C ATOM 362 O ALA A 28 7.844 36.411 7.738 1.00 5.42 O ATOM 363 CB ALA A 28 7.916 39.099 6.720 1.00 71.44 C ATOM 0 H ALA A 28 10.314 38.641 6.431 1.00 20.22 H new ATOM 0 HA ALA A 28 8.794 39.376 8.651 1.00 45.12 H new ATOM 0 HB1 ALA A 28 6.894 39.240 7.073 1.00 71.44 H new ATOM 0 HB2 ALA A 28 8.303 40.045 6.342 1.00 71.44 H new ATOM 0 HB3 ALA A 28 7.925 38.358 5.920 1.00 71.44 H new ATOM 369 N THR A 29 8.160 37.277 9.791 1.00 20.03 N ATOM 370 CA THR A 29 7.639 36.105 10.484 1.00 3.55 C ATOM 371 C THR A 29 6.289 36.402 11.127 1.00 70.32 C ATOM 372 O THR A 29 6.177 37.278 11.984 1.00 20.15 O ATOM 373 CB THR A 29 8.615 35.616 11.571 1.00 63.42 C ATOM 374 OG1 THR A 29 9.874 36.285 11.437 1.00 52.42 O ATOM 375 CG2 THR A 29 8.823 34.112 11.474 1.00 74.33 C ATOM 0 H THR A 29 8.466 38.030 10.407 1.00 20.03 H new ATOM 0 HA THR A 29 7.518 35.322 9.735 1.00 3.55 H new ATOM 0 HB THR A 29 8.183 35.846 12.545 1.00 63.42 H new ATOM 0 HG1 THR A 29 10.091 36.386 10.487 1.00 52.42 H new ATOM 0 HG21 THR A 29 9.516 33.790 12.251 1.00 74.33 H new ATOM 0 HG22 THR A 29 7.868 33.603 11.605 1.00 74.33 H new ATOM 0 HG23 THR A 29 9.235 33.864 10.496 1.00 74.33 H new ATOM 383 N PHE A 30 5.265 35.666 10.707 1.00 22.42 N ATOM 384 CA PHE A 30 3.921 35.850 11.242 1.00 61.01 C ATOM 385 C PHE A 30 3.192 34.514 11.353 1.00 2.14 C ATOM 386 O PHE A 30 3.714 33.473 10.953 1.00 2.25 O ATOM 387 CB PHE A 30 3.123 36.807 10.354 1.00 31.10 C ATOM 388 CG PHE A 30 3.013 36.350 8.927 1.00 31.15 C ATOM 389 CD1 PHE A 30 4.072 36.514 8.050 1.00 44.31 C ATOM 390 CD2 PHE A 30 1.850 35.756 8.464 1.00 22.42 C ATOM 391 CE1 PHE A 30 3.973 36.095 6.737 1.00 44.44 C ATOM 392 CE2 PHE A 30 1.745 35.334 7.152 1.00 44.31 C ATOM 393 CZ PHE A 30 2.809 35.504 6.287 1.00 30.53 C ATOM 0 H PHE A 30 5.340 34.937 9.998 1.00 22.42 H new ATOM 0 HA PHE A 30 4.010 36.279 12.240 1.00 61.01 H new ATOM 0 HB2 PHE A 30 2.121 36.924 10.768 1.00 31.10 H new ATOM 0 HB3 PHE A 30 3.594 37.790 10.377 1.00 31.10 H new ATOM 0 HD1 PHE A 30 4.986 36.975 8.396 1.00 44.31 H new ATOM 0 HD2 PHE A 30 1.016 35.621 9.136 1.00 22.42 H new ATOM 0 HE1 PHE A 30 4.806 36.230 6.063 1.00 44.44 H new ATOM 0 HE2 PHE A 30 0.833 34.872 6.804 1.00 44.31 H new ATOM 0 HZ PHE A 30 2.730 35.175 5.261 1.00 30.53 H new ATOM 403 N LYS A 31 1.982 34.551 11.900 1.00 11.35 N ATOM 404 CA LYS A 31 1.179 33.346 12.065 1.00 32.42 C ATOM 405 C LYS A 31 -0.081 33.409 11.207 1.00 2.42 C ATOM 406 O LYS A 31 -0.865 34.354 11.309 1.00 60.34 O ATOM 407 CB LYS A 31 0.798 33.158 13.536 1.00 41.54 C ATOM 408 CG LYS A 31 -0.219 32.054 13.765 1.00 51.12 C ATOM 409 CD LYS A 31 -0.612 31.952 15.229 1.00 5.52 C ATOM 410 CE LYS A 31 -1.703 32.950 15.584 1.00 11.32 C ATOM 411 NZ LYS A 31 -1.144 34.291 15.912 1.00 22.14 N ATOM 0 H LYS A 31 1.536 35.404 12.237 1.00 11.35 H new ATOM 0 HA LYS A 31 1.777 32.495 11.739 1.00 32.42 H new ATOM 0 HB2 LYS A 31 1.698 32.936 14.110 1.00 41.54 H new ATOM 0 HB3 LYS A 31 0.397 34.095 13.921 1.00 41.54 H new ATOM 0 HG2 LYS A 31 -1.107 32.245 13.162 1.00 51.12 H new ATOM 0 HG3 LYS A 31 0.195 31.102 13.431 1.00 51.12 H new ATOM 0 HD2 LYS A 31 -0.958 30.941 15.444 1.00 5.52 H new ATOM 0 HD3 LYS A 31 0.263 32.130 15.855 1.00 5.52 H new ATOM 0 HE2 LYS A 31 -2.398 33.041 14.749 1.00 11.32 H new ATOM 0 HE3 LYS A 31 -2.274 32.577 16.434 1.00 11.32 H new ATOM 0 HZ1 LYS A 31 -1.674 34.703 16.706 1.00 22.14 H new ATOM 0 HZ2 LYS A 31 -0.143 34.194 16.177 1.00 22.14 H new ATOM 0 HZ3 LYS A 31 -1.224 34.913 15.082 1.00 22.14 H new ATOM 425 N CYS A 32 -0.269 32.400 10.365 1.00 60.30 N ATOM 426 CA CYS A 32 -1.434 32.341 9.490 1.00 54.13 C ATOM 427 C CYS A 32 -2.717 32.189 10.301 1.00 23.13 C ATOM 428 O CYS A 32 -2.862 31.274 11.113 1.00 52.52 O ATOM 429 CB CYS A 32 -1.300 31.180 8.504 1.00 62.23 C ATOM 430 SG CYS A 32 -2.486 31.228 7.140 1.00 34.33 S ATOM 0 H CYS A 32 0.370 31.611 10.269 1.00 60.30 H new ATOM 0 HA CYS A 32 -1.486 33.277 8.933 1.00 54.13 H new ATOM 0 HB2 CYS A 32 -0.290 31.181 8.093 1.00 62.23 H new ATOM 0 HB3 CYS A 32 -1.423 30.242 9.045 1.00 62.23 H new ATOM 0 HG CYS A 32 -2.767 30.015 6.767 1.00 34.33 H new ATOM 436 N PRO A 33 -3.670 33.107 10.080 1.00 24.33 N ATOM 437 CA PRO A 33 -4.956 33.097 10.782 1.00 34.33 C ATOM 438 C PRO A 33 -5.842 31.932 10.353 1.00 23.44 C ATOM 439 O PRO A 33 -6.900 31.696 10.937 1.00 50.22 O ATOM 440 CB PRO A 33 -5.592 34.429 10.377 1.00 71.22 C ATOM 441 CG PRO A 33 -4.967 34.764 9.067 1.00 63.22 C ATOM 442 CD PRO A 33 -3.564 34.225 9.128 1.00 73.45 C ATOM 0 HA PRO A 33 -4.831 32.978 11.858 1.00 34.33 H new ATOM 0 HB2 PRO A 33 -6.675 34.340 10.288 1.00 71.22 H new ATOM 0 HB3 PRO A 33 -5.396 35.203 11.119 1.00 71.22 H new ATOM 0 HG2 PRO A 33 -5.522 34.315 8.243 1.00 63.22 H new ATOM 0 HG3 PRO A 33 -4.964 35.841 8.900 1.00 63.22 H new ATOM 0 HD2 PRO A 33 -3.220 33.889 8.150 1.00 73.45 H new ATOM 0 HD3 PRO A 33 -2.858 34.981 9.472 1.00 73.45 H new ATOM 450 N ASP A 34 -5.402 31.206 9.331 1.00 30.45 N ATOM 451 CA ASP A 34 -6.154 30.063 8.825 1.00 12.44 C ATOM 452 C ASP A 34 -5.762 28.786 9.561 1.00 60.45 C ATOM 453 O ASP A 34 -6.617 28.074 10.088 1.00 34.13 O ATOM 454 CB ASP A 34 -5.919 29.895 7.324 1.00 45.35 C ATOM 455 CG ASP A 34 -7.045 29.145 6.641 1.00 13.00 C ATOM 456 OD1 ASP A 34 -8.208 29.305 7.067 1.00 1.42 O ATOM 457 OD2 ASP A 34 -6.764 28.397 5.681 1.00 34.43 O ATOM 0 H ASP A 34 -4.529 31.388 8.837 1.00 30.45 H new ATOM 0 HA ASP A 34 -7.214 30.250 8.999 1.00 12.44 H new ATOM 0 HB2 ASP A 34 -5.810 30.877 6.864 1.00 45.35 H new ATOM 0 HB3 ASP A 34 -4.982 29.362 7.164 1.00 45.35 H new ATOM 462 N CYS A 35 -4.465 28.501 9.590 1.00 61.41 N ATOM 463 CA CYS A 35 -3.959 27.307 10.259 1.00 52.12 C ATOM 464 C CYS A 35 -3.103 27.681 11.464 1.00 0.03 C ATOM 465 O CYS A 35 -3.236 27.096 12.538 1.00 0.34 O ATOM 466 CB CYS A 35 -3.144 26.457 9.283 1.00 12.00 C ATOM 467 SG CYS A 35 -1.949 27.397 8.305 1.00 1.42 S ATOM 0 H CYS A 35 -3.745 29.080 9.158 1.00 61.41 H new ATOM 0 HA CYS A 35 -4.813 26.727 10.609 1.00 52.12 H new ATOM 0 HB2 CYS A 35 -2.613 25.688 9.844 1.00 12.00 H new ATOM 0 HB3 CYS A 35 -3.828 25.944 8.606 1.00 12.00 H new ATOM 0 HG CYS A 35 -2.459 27.668 7.140 1.00 1.42 H new ATOM 473 N GLY A 36 -2.222 28.659 11.277 1.00 1.35 N ATOM 474 CA GLY A 36 -1.355 29.093 12.358 1.00 52.25 C ATOM 475 C GLY A 36 0.076 28.630 12.174 1.00 44.12 C ATOM 476 O GLY A 36 0.844 28.573 13.134 1.00 43.12 O ATOM 0 H GLY A 36 -2.093 29.158 10.397 1.00 1.35 H new ATOM 0 HA2 GLY A 36 -1.376 30.181 12.422 1.00 52.25 H new ATOM 0 HA3 GLY A 36 -1.739 28.710 13.304 1.00 52.25 H new ATOM 480 N GLN A 37 0.435 28.297 10.938 1.00 0.21 N ATOM 481 CA GLN A 37 1.784 27.834 10.633 1.00 14.22 C ATOM 482 C GLN A 37 2.733 29.012 10.442 1.00 43.23 C ATOM 483 O GLN A 37 2.503 29.875 9.595 1.00 22.01 O ATOM 484 CB GLN A 37 1.774 26.962 9.377 1.00 62.13 C ATOM 485 CG GLN A 37 0.837 25.769 9.471 1.00 13.02 C ATOM 486 CD GLN A 37 1.546 24.502 9.908 1.00 10.52 C ATOM 487 OE1 GLN A 37 2.709 24.536 10.312 1.00 14.24 O ATOM 488 NE2 GLN A 37 0.848 23.376 9.830 1.00 70.44 N ATOM 0 H GLN A 37 -0.189 28.339 10.132 1.00 0.21 H new ATOM 0 HA GLN A 37 2.137 27.240 11.476 1.00 14.22 H new ATOM 0 HB2 GLN A 37 1.485 27.574 8.523 1.00 62.13 H new ATOM 0 HB3 GLN A 37 2.786 26.604 9.185 1.00 62.13 H new ATOM 0 HG2 GLN A 37 0.037 25.995 10.176 1.00 13.02 H new ATOM 0 HG3 GLN A 37 0.369 25.602 8.501 1.00 13.02 H new ATOM 0 HE21 GLN A 37 -0.113 23.394 9.489 1.00 70.44 H new ATOM 0 HE22 GLN A 37 1.273 22.492 10.111 1.00 70.44 H new ATOM 497 N GLU A 38 3.800 29.041 11.234 1.00 22.21 N ATOM 498 CA GLU A 38 4.784 30.114 11.152 1.00 54.34 C ATOM 499 C GLU A 38 5.256 30.310 9.714 1.00 51.12 C ATOM 500 O GLU A 38 5.915 29.441 9.142 1.00 0.12 O ATOM 501 CB GLU A 38 5.980 29.811 12.056 1.00 31.11 C ATOM 502 CG GLU A 38 6.785 31.043 12.434 1.00 32.24 C ATOM 503 CD GLU A 38 7.851 30.747 13.471 1.00 10.24 C ATOM 504 OE1 GLU A 38 7.541 30.051 14.461 1.00 54.43 O ATOM 505 OE2 GLU A 38 8.996 31.212 13.293 1.00 43.11 O ATOM 0 H GLU A 38 4.005 28.334 11.940 1.00 22.21 H new ATOM 0 HA GLU A 38 4.308 31.035 11.489 1.00 54.34 H new ATOM 0 HB2 GLU A 38 5.624 29.327 12.965 1.00 31.11 H new ATOM 0 HB3 GLU A 38 6.635 29.100 11.552 1.00 31.11 H new ATOM 0 HG2 GLU A 38 7.256 31.453 11.541 1.00 32.24 H new ATOM 0 HG3 GLU A 38 6.111 31.809 12.819 1.00 32.24 H new ATOM 512 N ILE A 39 4.914 31.456 9.136 1.00 54.52 N ATOM 513 CA ILE A 39 5.303 31.767 7.766 1.00 74.32 C ATOM 514 C ILE A 39 6.511 32.696 7.735 1.00 63.05 C ATOM 515 O ILE A 39 6.557 33.696 8.450 1.00 13.33 O ATOM 516 CB ILE A 39 4.146 32.421 6.987 1.00 62.45 C ATOM 517 CG1 ILE A 39 2.836 31.677 7.255 1.00 65.51 C ATOM 518 CG2 ILE A 39 4.455 32.440 5.497 1.00 23.40 C ATOM 519 CD1 ILE A 39 1.663 32.215 6.467 1.00 41.21 C ATOM 0 H ILE A 39 4.368 32.185 9.595 1.00 54.52 H new ATOM 0 HA ILE A 39 5.563 30.822 7.289 1.00 74.32 H new ATOM 0 HB ILE A 39 4.034 33.450 7.329 1.00 62.45 H new ATOM 0 HG12 ILE A 39 2.971 30.622 7.015 1.00 65.51 H new ATOM 0 HG13 ILE A 39 2.606 31.735 8.319 1.00 65.51 H new ATOM 0 HG21 ILE A 39 3.628 32.905 4.960 1.00 23.40 H new ATOM 0 HG22 ILE A 39 5.368 33.010 5.322 1.00 23.40 H new ATOM 0 HG23 ILE A 39 4.591 31.419 5.140 1.00 23.40 H new ATOM 0 HD11 ILE A 39 0.769 31.640 6.707 1.00 41.21 H new ATOM 0 HD12 ILE A 39 1.501 33.262 6.724 1.00 41.21 H new ATOM 0 HD13 ILE A 39 1.872 32.132 5.401 1.00 41.21 H new ATOM 531 N SER A 40 7.488 32.359 6.899 1.00 44.13 N ATOM 532 CA SER A 40 8.699 33.162 6.775 1.00 42.21 C ATOM 533 C SER A 40 8.896 33.631 5.336 1.00 35.24 C ATOM 534 O SER A 40 9.218 32.837 4.452 1.00 2.31 O ATOM 535 CB SER A 40 9.918 32.359 7.233 1.00 43.04 C ATOM 536 OG SER A 40 10.208 31.310 6.325 1.00 51.01 O ATOM 0 H SER A 40 7.465 31.535 6.298 1.00 44.13 H new ATOM 0 HA SER A 40 8.590 34.039 7.413 1.00 42.21 H new ATOM 0 HB2 SER A 40 10.781 33.019 7.319 1.00 43.04 H new ATOM 0 HB3 SER A 40 9.733 31.945 8.224 1.00 43.04 H new ATOM 0 HG SER A 40 9.779 31.495 5.464 1.00 51.01 H new ATOM 542 N ARG A 41 8.698 34.925 5.110 1.00 2.53 N ATOM 543 CA ARG A 41 8.852 35.501 3.780 1.00 70.14 C ATOM 544 C ARG A 41 9.999 36.507 3.752 1.00 54.34 C ATOM 545 O ARG A 41 10.009 37.473 4.516 1.00 32.00 O ATOM 546 CB ARG A 41 7.553 36.179 3.341 1.00 51.31 C ATOM 547 CG ARG A 41 6.309 35.352 3.621 1.00 61.12 C ATOM 548 CD ARG A 41 5.040 36.130 3.308 1.00 24.12 C ATOM 549 NE ARG A 41 5.031 37.442 3.949 1.00 43.21 N ATOM 550 CZ ARG A 41 4.233 38.436 3.576 1.00 1.50 C ATOM 551 NH1 ARG A 41 3.384 38.268 2.572 1.00 13.30 N ATOM 552 NH2 ARG A 41 4.283 39.602 4.208 1.00 24.04 N ATOM 0 H ARG A 41 8.430 35.595 5.831 1.00 2.53 H new ATOM 0 HA ARG A 41 9.084 34.693 3.086 1.00 70.14 H new ATOM 0 HB2 ARG A 41 7.464 37.138 3.851 1.00 51.31 H new ATOM 0 HB3 ARG A 41 7.606 36.390 2.273 1.00 51.31 H new ATOM 0 HG2 ARG A 41 6.335 34.441 3.024 1.00 61.12 H new ATOM 0 HG3 ARG A 41 6.301 35.047 4.668 1.00 61.12 H new ATOM 0 HD2 ARG A 41 4.947 36.253 2.229 1.00 24.12 H new ATOM 0 HD3 ARG A 41 4.173 35.558 3.640 1.00 24.12 H new ATOM 0 HE ARG A 41 5.672 37.604 4.725 1.00 43.21 H new ATOM 0 HH11 ARG A 41 3.342 37.373 2.084 1.00 13.30 H new ATOM 0 HH12 ARG A 41 2.772 39.033 2.288 1.00 13.30 H new ATOM 0 HH21 ARG A 41 4.935 39.736 4.981 1.00 24.04 H new ATOM 0 HH22 ARG A 41 3.670 40.365 3.921 1.00 24.04 H new ATOM 566 N CYS A 42 10.962 36.274 2.867 1.00 53.30 N ATOM 567 CA CYS A 42 12.114 37.160 2.740 1.00 31.32 C ATOM 568 C CYS A 42 11.670 38.598 2.494 1.00 60.14 C ATOM 569 O CYS A 42 10.512 38.853 2.164 1.00 72.34 O ATOM 570 CB CYS A 42 13.021 36.691 1.602 1.00 72.34 C ATOM 571 SG CYS A 42 14.765 37.113 1.825 1.00 54.21 S ATOM 0 H CYS A 42 10.968 35.480 2.227 1.00 53.30 H new ATOM 0 HA CYS A 42 12.672 37.127 3.676 1.00 31.32 H new ATOM 0 HB2 CYS A 42 12.930 35.609 1.502 1.00 72.34 H new ATOM 0 HB3 CYS A 42 12.669 37.128 0.668 1.00 72.34 H new ATOM 0 HG CYS A 42 15.451 36.672 0.813 1.00 54.21 H new ATOM 577 N SER A 43 12.599 39.535 2.658 1.00 74.33 N ATOM 578 CA SER A 43 12.302 40.948 2.458 1.00 13.43 C ATOM 579 C SER A 43 11.596 41.172 1.124 1.00 4.51 C ATOM 580 O SER A 43 10.755 42.062 0.994 1.00 4.34 O ATOM 581 CB SER A 43 13.588 41.774 2.513 1.00 45.10 C ATOM 582 OG SER A 43 14.492 41.247 3.469 1.00 43.32 O ATOM 0 H SER A 43 13.563 39.341 2.929 1.00 74.33 H new ATOM 0 HA SER A 43 11.637 41.271 3.259 1.00 13.43 H new ATOM 0 HB2 SER A 43 14.059 41.785 1.530 1.00 45.10 H new ATOM 0 HB3 SER A 43 13.350 42.808 2.764 1.00 45.10 H new ATOM 0 HG SER A 43 15.307 41.791 3.484 1.00 43.32 H new ATOM 588 N LYS A 44 11.945 40.358 0.134 1.00 45.53 N ATOM 589 CA LYS A 44 11.347 40.465 -1.192 1.00 32.44 C ATOM 590 C LYS A 44 9.824 40.471 -1.102 1.00 1.22 C ATOM 591 O LYS A 44 9.147 41.085 -1.927 1.00 40.51 O ATOM 592 CB LYS A 44 11.811 39.307 -2.078 1.00 21.53 C ATOM 593 CG LYS A 44 13.266 39.409 -2.500 1.00 45.40 C ATOM 594 CD LYS A 44 13.451 40.414 -3.625 1.00 61.21 C ATOM 595 CE LYS A 44 14.911 40.806 -3.788 1.00 5.53 C ATOM 596 NZ LYS A 44 15.784 39.619 -4.005 1.00 1.54 N ATOM 0 H LYS A 44 12.639 39.616 0.225 1.00 45.53 H new ATOM 0 HA LYS A 44 11.672 41.406 -1.635 1.00 32.44 H new ATOM 0 HB2 LYS A 44 11.661 38.369 -1.543 1.00 21.53 H new ATOM 0 HB3 LYS A 44 11.185 39.269 -2.969 1.00 21.53 H new ATOM 0 HG2 LYS A 44 13.874 39.703 -1.645 1.00 45.40 H new ATOM 0 HG3 LYS A 44 13.622 38.431 -2.823 1.00 45.40 H new ATOM 0 HD2 LYS A 44 13.081 39.989 -4.558 1.00 61.21 H new ATOM 0 HD3 LYS A 44 12.855 41.304 -3.421 1.00 61.21 H new ATOM 0 HE2 LYS A 44 15.011 41.489 -4.631 1.00 5.53 H new ATOM 0 HE3 LYS A 44 15.244 41.344 -2.900 1.00 5.53 H new ATOM 0 HZ1 LYS A 44 16.727 39.933 -4.312 1.00 1.54 H new ATOM 0 HZ2 LYS A 44 15.869 39.084 -3.117 1.00 1.54 H new ATOM 0 HZ3 LYS A 44 15.367 39.010 -4.738 1.00 1.54 H new ATOM 610 N CYS A 45 9.293 39.786 -0.096 1.00 14.24 N ATOM 611 CA CYS A 45 7.849 39.714 0.102 1.00 22.11 C ATOM 612 C CYS A 45 7.236 41.110 0.150 1.00 64.21 C ATOM 613 O CYS A 45 6.053 41.289 -0.137 1.00 53.12 O ATOM 614 CB CYS A 45 7.527 38.958 1.392 1.00 3.00 C ATOM 615 SG CYS A 45 7.735 39.941 2.895 1.00 11.22 S ATOM 0 H CYS A 45 9.840 39.273 0.595 1.00 14.24 H new ATOM 0 HA CYS A 45 7.418 39.177 -0.743 1.00 22.11 H new ATOM 0 HB2 CYS A 45 6.498 38.601 1.344 1.00 3.00 H new ATOM 0 HB3 CYS A 45 8.168 38.078 1.454 1.00 3.00 H new ATOM 0 HG CYS A 45 8.990 39.956 3.233 1.00 11.22 H new ATOM 621 N ARG A 46 8.050 42.095 0.516 1.00 53.12 N ATOM 622 CA ARG A 46 7.587 43.475 0.604 1.00 32.22 C ATOM 623 C ARG A 46 6.831 43.877 -0.659 1.00 64.21 C ATOM 624 O ARG A 46 5.859 44.629 -0.601 1.00 53.51 O ATOM 625 CB ARG A 46 8.770 44.419 0.826 1.00 70.10 C ATOM 626 CG ARG A 46 9.312 44.393 2.246 1.00 63.34 C ATOM 627 CD ARG A 46 8.265 44.847 3.250 1.00 21.45 C ATOM 628 NE ARG A 46 8.822 45.757 4.247 1.00 13.34 N ATOM 629 CZ ARG A 46 9.209 46.998 3.974 1.00 13.32 C ATOM 630 NH1 ARG A 46 9.100 47.474 2.741 1.00 13.15 N ATOM 631 NH2 ARG A 46 9.705 47.766 4.935 1.00 4.45 N ATOM 0 H ARG A 46 9.033 41.963 0.756 1.00 53.12 H new ATOM 0 HA ARG A 46 6.907 43.550 1.453 1.00 32.22 H new ATOM 0 HB2 ARG A 46 9.571 44.153 0.136 1.00 70.10 H new ATOM 0 HB3 ARG A 46 8.463 45.436 0.582 1.00 70.10 H new ATOM 0 HG2 ARG A 46 9.641 43.383 2.493 1.00 63.34 H new ATOM 0 HG3 ARG A 46 10.187 45.039 2.314 1.00 63.34 H new ATOM 0 HD2 ARG A 46 7.448 45.341 2.724 1.00 21.45 H new ATOM 0 HD3 ARG A 46 7.841 43.976 3.750 1.00 21.45 H new ATOM 0 HE ARG A 46 8.919 45.421 5.205 1.00 13.34 H new ATOM 0 HH11 ARG A 46 8.718 46.887 2.000 1.00 13.15 H new ATOM 0 HH12 ARG A 46 9.398 48.427 2.534 1.00 13.15 H new ATOM 0 HH21 ARG A 46 9.790 47.404 5.885 1.00 4.45 H new ATOM 0 HH22 ARG A 46 10.002 48.719 4.724 1.00 4.45 H new ATOM 645 N LYS A 47 7.286 43.370 -1.800 1.00 52.43 N ATOM 646 CA LYS A 47 6.654 43.675 -3.079 1.00 33.15 C ATOM 647 C LYS A 47 5.437 42.785 -3.310 1.00 30.53 C ATOM 648 O LYS A 47 4.461 43.202 -3.932 1.00 41.31 O ATOM 649 CB LYS A 47 7.655 43.495 -4.222 1.00 1.13 C ATOM 650 CG LYS A 47 7.907 42.042 -4.587 1.00 54.51 C ATOM 651 CD LYS A 47 9.321 41.834 -5.102 1.00 30.21 C ATOM 652 CE LYS A 47 9.528 42.505 -6.451 1.00 73.42 C ATOM 653 NZ LYS A 47 10.934 42.957 -6.636 1.00 3.31 N ATOM 0 H LYS A 47 8.090 42.746 -1.865 1.00 52.43 H new ATOM 0 HA LYS A 47 6.324 44.713 -3.054 1.00 33.15 H new ATOM 0 HB2 LYS A 47 7.288 44.023 -5.102 1.00 1.13 H new ATOM 0 HB3 LYS A 47 8.600 43.960 -3.942 1.00 1.13 H new ATOM 0 HG2 LYS A 47 7.741 41.412 -3.713 1.00 54.51 H new ATOM 0 HG3 LYS A 47 7.192 41.728 -5.347 1.00 54.51 H new ATOM 0 HD2 LYS A 47 10.034 42.235 -4.382 1.00 30.21 H new ATOM 0 HD3 LYS A 47 9.524 40.767 -5.191 1.00 30.21 H new ATOM 0 HE2 LYS A 47 9.263 41.809 -7.247 1.00 73.42 H new ATOM 0 HE3 LYS A 47 8.857 43.360 -6.538 1.00 73.42 H new ATOM 0 HZ1 LYS A 47 11.034 43.409 -7.567 1.00 3.31 H new ATOM 0 HZ2 LYS A 47 11.180 43.640 -5.891 1.00 3.31 H new ATOM 0 HZ3 LYS A 47 11.572 42.138 -6.579 1.00 3.31 H new ATOM 667 N GLN A 48 5.503 41.557 -2.803 1.00 54.43 N ATOM 668 CA GLN A 48 4.405 40.609 -2.955 1.00 1.42 C ATOM 669 C GLN A 48 3.324 40.857 -1.908 1.00 55.14 C ATOM 670 O GLN A 48 2.312 40.156 -1.869 1.00 5.15 O ATOM 671 CB GLN A 48 4.923 39.175 -2.840 1.00 61.34 C ATOM 672 CG GLN A 48 5.976 38.823 -3.879 1.00 2.51 C ATOM 673 CD GLN A 48 5.376 38.260 -5.152 1.00 35.14 C ATOM 674 OE1 GLN A 48 4.368 37.552 -5.116 1.00 44.32 O ATOM 675 NE2 GLN A 48 5.992 38.571 -6.286 1.00 12.41 N ATOM 0 H GLN A 48 6.304 41.196 -2.284 1.00 54.43 H new ATOM 0 HA GLN A 48 3.968 40.752 -3.943 1.00 1.42 H new ATOM 0 HB2 GLN A 48 5.343 39.028 -1.845 1.00 61.34 H new ATOM 0 HB3 GLN A 48 4.084 38.486 -2.937 1.00 61.34 H new ATOM 0 HG2 GLN A 48 6.556 39.714 -4.119 1.00 2.51 H new ATOM 0 HG3 GLN A 48 6.669 38.096 -3.456 1.00 2.51 H new ATOM 0 HE21 GLN A 48 6.824 39.161 -6.269 1.00 12.41 H new ATOM 0 HE22 GLN A 48 5.633 38.220 -7.174 1.00 12.41 H new ATOM 684 N SER A 49 3.544 41.858 -1.062 1.00 53.34 N ATOM 685 CA SER A 49 2.590 42.196 -0.013 1.00 34.25 C ATOM 686 C SER A 49 1.204 42.447 -0.598 1.00 54.24 C ATOM 687 O SER A 49 0.189 42.146 0.029 1.00 51.33 O ATOM 688 CB SER A 49 3.062 43.431 0.757 1.00 31.34 C ATOM 689 OG SER A 49 4.368 43.241 1.273 1.00 42.51 O ATOM 0 H SER A 49 4.375 42.449 -1.083 1.00 53.34 H new ATOM 0 HA SER A 49 2.528 41.351 0.672 1.00 34.25 H new ATOM 0 HB2 SER A 49 3.050 44.300 0.099 1.00 31.34 H new ATOM 0 HB3 SER A 49 2.371 43.640 1.574 1.00 31.34 H new ATOM 0 HG SER A 49 4.794 42.486 0.816 1.00 42.51 H new ATOM 695 N ASN A 50 1.170 43.001 -1.806 1.00 41.31 N ATOM 696 CA ASN A 50 -0.091 43.294 -2.478 1.00 3.41 C ATOM 697 C ASN A 50 -0.986 42.060 -2.516 1.00 75.02 C ATOM 698 O ASN A 50 -2.210 42.164 -2.419 1.00 71.15 O ATOM 699 CB ASN A 50 0.169 43.794 -3.900 1.00 65.15 C ATOM 700 CG ASN A 50 1.216 44.890 -3.946 1.00 3.21 C ATOM 701 OD1 ASN A 50 2.258 44.743 -4.585 1.00 70.03 O ATOM 702 ND2 ASN A 50 0.943 45.997 -3.265 1.00 42.33 N ATOM 0 H ASN A 50 2.001 43.256 -2.339 1.00 41.31 H new ATOM 0 HA ASN A 50 -0.602 44.074 -1.914 1.00 3.41 H new ATOM 0 HB2 ASN A 50 0.493 42.960 -4.522 1.00 65.15 H new ATOM 0 HB3 ASN A 50 -0.762 44.167 -4.327 1.00 65.15 H new ATOM 0 HD21 ASN A 50 1.610 46.769 -3.258 1.00 42.33 H new ATOM 0 HD22 ASN A 50 0.066 46.075 -2.749 1.00 42.33 H new ATOM 709 N LEU A 51 -0.369 40.892 -2.657 1.00 52.22 N ATOM 710 CA LEU A 51 -1.110 39.636 -2.708 1.00 1.44 C ATOM 711 C LEU A 51 -0.225 38.465 -2.294 1.00 44.13 C ATOM 712 O LEU A 51 0.832 38.235 -2.882 1.00 45.02 O ATOM 713 CB LEU A 51 -1.661 39.402 -4.115 1.00 45.44 C ATOM 714 CG LEU A 51 -2.826 38.418 -4.225 1.00 44.25 C ATOM 715 CD1 LEU A 51 -4.110 39.053 -3.716 1.00 74.23 C ATOM 716 CD2 LEU A 51 -2.994 37.949 -5.663 1.00 44.34 C ATOM 0 H LEU A 51 0.642 40.788 -2.738 1.00 52.22 H new ATOM 0 HA LEU A 51 -1.942 39.705 -2.007 1.00 1.44 H new ATOM 0 HB2 LEU A 51 -1.982 40.361 -4.522 1.00 45.44 H new ATOM 0 HB3 LEU A 51 -0.848 39.044 -4.747 1.00 45.44 H new ATOM 0 HG LEU A 51 -2.603 37.550 -3.605 1.00 44.25 H new ATOM 0 HD11 LEU A 51 -4.928 38.338 -3.802 1.00 74.23 H new ATOM 0 HD12 LEU A 51 -3.986 39.338 -2.671 1.00 74.23 H new ATOM 0 HD13 LEU A 51 -4.338 39.939 -4.309 1.00 74.23 H new ATOM 0 HD21 LEU A 51 -3.828 37.249 -5.722 1.00 44.34 H new ATOM 0 HD22 LEU A 51 -3.194 38.807 -6.305 1.00 44.34 H new ATOM 0 HD23 LEU A 51 -2.081 37.454 -5.993 1.00 44.34 H new ATOM 728 N TYR A 52 -0.664 37.727 -1.281 1.00 72.24 N ATOM 729 CA TYR A 52 0.088 36.579 -0.789 1.00 62.12 C ATOM 730 C TYR A 52 -0.814 35.357 -0.644 1.00 53.42 C ATOM 731 O TYR A 52 -2.031 35.449 -0.805 1.00 2.10 O ATOM 732 CB TYR A 52 0.740 36.908 0.555 1.00 33.10 C ATOM 733 CG TYR A 52 -0.227 36.891 1.717 1.00 35.41 C ATOM 734 CD1 TYR A 52 -1.267 37.809 1.794 1.00 14.13 C ATOM 735 CD2 TYR A 52 -0.101 35.957 2.738 1.00 31.10 C ATOM 736 CE1 TYR A 52 -2.153 37.798 2.854 1.00 31.44 C ATOM 737 CE2 TYR A 52 -0.983 35.937 3.801 1.00 11.10 C ATOM 738 CZ TYR A 52 -2.007 36.859 3.855 1.00 52.51 C ATOM 739 OH TYR A 52 -2.887 36.844 4.913 1.00 61.11 O ATOM 0 H TYR A 52 -1.537 37.903 -0.784 1.00 72.24 H new ATOM 0 HA TYR A 52 0.866 36.348 -1.516 1.00 62.12 H new ATOM 0 HB2 TYR A 52 1.538 36.191 0.747 1.00 33.10 H new ATOM 0 HB3 TYR A 52 1.203 37.893 0.493 1.00 33.10 H new ATOM 0 HD1 TYR A 52 -1.385 38.544 1.012 1.00 14.13 H new ATOM 0 HD2 TYR A 52 0.700 35.234 2.700 1.00 31.10 H new ATOM 0 HE1 TYR A 52 -2.955 38.520 2.899 1.00 31.44 H new ATOM 0 HE2 TYR A 52 -0.871 35.203 4.586 1.00 11.10 H new ATOM 0 HH TYR A 52 -2.646 36.121 5.529 1.00 61.11 H new ATOM 749 N GLU A 53 -0.208 34.215 -0.339 1.00 21.45 N ATOM 750 CA GLU A 53 -0.956 32.974 -0.172 1.00 13.33 C ATOM 751 C GLU A 53 -0.174 31.976 0.677 1.00 4.50 C ATOM 752 O GLU A 53 0.975 31.654 0.373 1.00 64.41 O ATOM 753 CB GLU A 53 -1.277 32.359 -1.535 1.00 54.14 C ATOM 754 CG GLU A 53 -1.839 30.950 -1.450 1.00 74.13 C ATOM 755 CD GLU A 53 -0.802 29.888 -1.762 1.00 55.54 C ATOM 756 OE1 GLU A 53 0.404 30.205 -1.708 1.00 45.12 O ATOM 757 OE2 GLU A 53 -1.197 28.742 -2.061 1.00 12.12 O ATOM 0 H GLU A 53 0.799 34.123 -0.202 1.00 21.45 H new ATOM 0 HA GLU A 53 -1.888 33.209 0.342 1.00 13.33 H new ATOM 0 HB2 GLU A 53 -1.994 32.997 -2.052 1.00 54.14 H new ATOM 0 HB3 GLU A 53 -0.370 32.344 -2.140 1.00 54.14 H new ATOM 0 HG2 GLU A 53 -2.237 30.781 -0.449 1.00 74.13 H new ATOM 0 HG3 GLU A 53 -2.673 30.853 -2.145 1.00 74.13 H new ATOM 764 N CYS A 54 -0.803 31.493 1.742 1.00 74.32 N ATOM 765 CA CYS A 54 -0.166 30.533 2.636 1.00 34.43 C ATOM 766 C CYS A 54 0.086 29.209 1.922 1.00 33.32 C ATOM 767 O CYS A 54 -0.841 28.485 1.559 1.00 74.24 O ATOM 768 CB CYS A 54 -1.036 30.301 3.873 1.00 40.51 C ATOM 769 SG CYS A 54 -0.275 29.239 5.122 1.00 31.32 S ATOM 0 H CYS A 54 -1.754 31.750 2.008 1.00 74.32 H new ATOM 0 HA CYS A 54 0.794 30.946 2.947 1.00 34.43 H new ATOM 0 HB2 CYS A 54 -1.270 31.265 4.325 1.00 40.51 H new ATOM 0 HB3 CYS A 54 -1.981 29.857 3.561 1.00 40.51 H new ATOM 0 HG CYS A 54 -0.756 29.533 6.293 1.00 31.32 H new ATOM 775 N PRO A 55 1.370 28.884 1.714 1.00 23.41 N ATOM 776 CA PRO A 55 1.775 27.646 1.041 1.00 75.13 C ATOM 777 C PRO A 55 1.496 26.408 1.887 1.00 45.12 C ATOM 778 O PRO A 55 1.578 25.280 1.400 1.00 44.42 O ATOM 779 CB PRO A 55 3.281 27.828 0.838 1.00 31.13 C ATOM 780 CG PRO A 55 3.695 28.776 1.910 1.00 3.01 C ATOM 781 CD PRO A 55 2.527 29.699 2.121 1.00 40.13 C ATOM 0 HA PRO A 55 1.223 27.487 0.115 1.00 75.13 H new ATOM 0 HB2 PRO A 55 3.810 26.879 0.923 1.00 31.13 H new ATOM 0 HB3 PRO A 55 3.502 28.228 -0.152 1.00 31.13 H new ATOM 0 HG2 PRO A 55 3.942 28.243 2.828 1.00 3.01 H new ATOM 0 HG3 PRO A 55 4.584 29.333 1.616 1.00 3.01 H new ATOM 0 HD2 PRO A 55 2.449 30.017 3.161 1.00 40.13 H new ATOM 0 HD3 PRO A 55 2.615 30.602 1.517 1.00 40.13 H new ATOM 789 N ASP A 56 1.167 26.626 3.155 1.00 2.12 N ATOM 790 CA ASP A 56 0.875 25.528 4.069 1.00 63.20 C ATOM 791 C ASP A 56 -0.550 25.020 3.871 1.00 3.52 C ATOM 792 O ASP A 56 -0.767 23.836 3.613 1.00 52.02 O ATOM 793 CB ASP A 56 1.074 25.975 5.518 1.00 41.10 C ATOM 794 CG ASP A 56 1.742 24.911 6.366 1.00 62.30 C ATOM 795 OD1 ASP A 56 2.726 25.238 7.062 1.00 52.20 O ATOM 796 OD2 ASP A 56 1.282 23.750 6.333 1.00 21.00 O ATOM 0 H ASP A 56 1.096 27.553 3.574 1.00 2.12 H new ATOM 0 HA ASP A 56 1.565 24.713 3.851 1.00 63.20 H new ATOM 0 HB2 ASP A 56 1.679 26.882 5.536 1.00 41.10 H new ATOM 0 HB3 ASP A 56 0.107 26.228 5.953 1.00 41.10 H new ATOM 801 N CYS A 57 -1.516 25.923 3.995 1.00 11.41 N ATOM 802 CA CYS A 57 -2.921 25.567 3.832 1.00 70.02 C ATOM 803 C CYS A 57 -3.467 26.098 2.510 1.00 3.44 C ATOM 804 O CYS A 57 -4.677 26.232 2.336 1.00 51.32 O ATOM 805 CB CYS A 57 -3.747 26.116 4.996 1.00 4.02 C ATOM 806 SG CYS A 57 -3.652 27.912 5.186 1.00 21.31 S ATOM 0 H CYS A 57 -1.352 26.907 4.208 1.00 11.41 H new ATOM 0 HA CYS A 57 -2.996 24.480 3.825 1.00 70.02 H new ATOM 0 HB2 CYS A 57 -4.789 25.831 4.854 1.00 4.02 H new ATOM 0 HB3 CYS A 57 -3.411 25.645 5.920 1.00 4.02 H new ATOM 0 HG CYS A 57 -2.407 28.284 5.173 1.00 21.31 H new ATOM 812 N GLY A 58 -2.564 26.401 1.582 1.00 11.52 N ATOM 813 CA GLY A 58 -2.974 26.917 0.289 1.00 32.20 C ATOM 814 C GLY A 58 -4.049 27.979 0.403 1.00 54.23 C ATOM 815 O GLY A 58 -4.992 28.006 -0.389 1.00 43.43 O ATOM 0 H GLY A 58 -1.556 26.298 1.703 1.00 11.52 H new ATOM 0 HA2 GLY A 58 -2.107 27.335 -0.223 1.00 32.20 H new ATOM 0 HA3 GLY A 58 -3.342 26.096 -0.326 1.00 32.20 H new ATOM 819 N PHE A 59 -3.910 28.856 1.392 1.00 54.15 N ATOM 820 CA PHE A 59 -4.879 29.924 1.608 1.00 14.10 C ATOM 821 C PHE A 59 -4.464 31.193 0.870 1.00 4.53 C ATOM 822 O PHE A 59 -3.467 31.826 1.216 1.00 45.50 O ATOM 823 CB PHE A 59 -5.025 30.214 3.103 1.00 2.33 C ATOM 824 CG PHE A 59 -5.852 31.433 3.400 1.00 63.41 C ATOM 825 CD1 PHE A 59 -7.143 31.546 2.911 1.00 71.43 C ATOM 826 CD2 PHE A 59 -5.337 32.465 4.167 1.00 13.15 C ATOM 827 CE1 PHE A 59 -7.907 32.665 3.182 1.00 1.21 C ATOM 828 CE2 PHE A 59 -6.096 33.587 4.442 1.00 34.25 C ATOM 829 CZ PHE A 59 -7.382 33.688 3.948 1.00 33.42 C ATOM 0 H PHE A 59 -3.136 28.848 2.056 1.00 54.15 H new ATOM 0 HA PHE A 59 -5.840 29.594 1.213 1.00 14.10 H new ATOM 0 HB2 PHE A 59 -5.478 29.350 3.590 1.00 2.33 H new ATOM 0 HB3 PHE A 59 -4.034 30.342 3.538 1.00 2.33 H new ATOM 0 HD1 PHE A 59 -7.558 30.750 2.311 1.00 71.43 H new ATOM 0 HD2 PHE A 59 -4.331 32.392 4.554 1.00 13.15 H new ATOM 0 HE1 PHE A 59 -8.913 32.740 2.796 1.00 1.21 H new ATOM 0 HE2 PHE A 59 -5.684 34.384 5.043 1.00 34.25 H new ATOM 0 HZ PHE A 59 -7.976 34.565 4.160 1.00 33.42 H new ATOM 839 N MET A 60 -5.235 31.558 -0.148 1.00 54.43 N ATOM 840 CA MET A 60 -4.948 32.752 -0.935 1.00 11.21 C ATOM 841 C MET A 60 -5.532 33.995 -0.270 1.00 63.11 C ATOM 842 O MET A 60 -6.713 34.030 0.073 1.00 4.40 O ATOM 843 CB MET A 60 -5.511 32.604 -2.350 1.00 11.52 C ATOM 844 CG MET A 60 -5.033 31.352 -3.066 1.00 71.12 C ATOM 845 SD MET A 60 -6.094 30.897 -4.452 1.00 23.24 S ATOM 846 CE MET A 60 -6.465 29.192 -4.048 1.00 65.42 C ATOM 0 H MET A 60 -6.064 31.044 -0.448 1.00 54.43 H new ATOM 0 HA MET A 60 -3.866 32.867 -0.993 1.00 11.21 H new ATOM 0 HB2 MET A 60 -6.600 32.590 -2.299 1.00 11.52 H new ATOM 0 HB3 MET A 60 -5.230 33.478 -2.937 1.00 11.52 H new ATOM 0 HG2 MET A 60 -4.017 31.510 -3.428 1.00 71.12 H new ATOM 0 HG3 MET A 60 -4.994 30.525 -2.357 1.00 71.12 H new ATOM 0 HE1 MET A 60 -7.115 28.770 -4.814 1.00 65.42 H new ATOM 0 HE2 MET A 60 -5.539 28.619 -4.002 1.00 65.42 H new ATOM 0 HE3 MET A 60 -6.967 29.148 -3.082 1.00 65.42 H new ATOM 856 N GLY A 61 -4.695 35.013 -0.091 1.00 15.11 N ATOM 857 CA GLY A 61 -5.147 36.243 0.533 1.00 53.13 C ATOM 858 C GLY A 61 -4.558 37.476 -0.123 1.00 53.14 C ATOM 859 O GLY A 61 -3.740 37.387 -1.039 1.00 4.44 O ATOM 0 H GLY A 61 -3.713 35.008 -0.367 1.00 15.11 H new ATOM 0 HA2 GLY A 61 -6.235 36.293 0.484 1.00 53.13 H new ATOM 0 HA3 GLY A 61 -4.876 36.232 1.589 1.00 53.13 H new ATOM 863 N PRO A 62 -4.980 38.660 0.347 1.00 65.34 N ATOM 864 CA PRO A 62 -4.502 39.939 -0.187 1.00 60.31 C ATOM 865 C PRO A 62 -3.043 40.206 0.167 1.00 13.44 C ATOM 866 O PRO A 62 -2.748 40.932 1.117 1.00 34.01 O ATOM 867 CB PRO A 62 -5.414 40.967 0.487 1.00 5.02 C ATOM 868 CG PRO A 62 -5.861 40.309 1.747 1.00 63.44 C ATOM 869 CD PRO A 62 -5.954 38.840 1.436 1.00 40.43 C ATOM 0 HA PRO A 62 -4.539 39.966 -1.276 1.00 60.31 H new ATOM 0 HB2 PRO A 62 -4.880 41.895 0.693 1.00 5.02 H new ATOM 0 HB3 PRO A 62 -6.262 41.221 -0.149 1.00 5.02 H new ATOM 0 HG2 PRO A 62 -5.154 40.493 2.556 1.00 63.44 H new ATOM 0 HG3 PRO A 62 -6.825 40.701 2.071 1.00 63.44 H new ATOM 0 HD2 PRO A 62 -5.704 38.229 2.303 1.00 40.43 H new ATOM 0 HD3 PRO A 62 -6.960 38.558 1.126 1.00 40.43 H new TER 877 PRO A 62