USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 384 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 Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.1!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 29:sc= 0.843 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 43:sc= 0.744! USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 140 HIS : no HD1:sc= -0.615 K(o=-0.61,f=-1.3) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -60:sc= -0.566 USER MOD Single : A 153 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.15) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 173:sc= 0.492 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 110 4.197 3.775 -2.818 1.00 53.12 N ATOM 2 CA MET A 110 4.186 3.346 -1.424 1.00 50.54 C ATOM 3 C MET A 110 5.201 2.232 -1.191 1.00 34.34 C ATOM 4 O MET A 110 5.731 2.085 -0.090 1.00 45.11 O ATOM 5 CB MET A 110 2.788 2.871 -1.025 1.00 54.24 C ATOM 6 CG MET A 110 1.839 4.005 -0.671 1.00 33.54 C ATOM 7 SD MET A 110 1.101 4.773 -2.125 1.00 13.50 S ATOM 8 CE MET A 110 1.917 6.368 -2.116 1.00 61.31 C ATOM 0 HA MET A 110 4.461 4.200 -0.805 1.00 50.54 H new ATOM 0 HB2 MET A 110 2.361 2.294 -1.845 1.00 54.24 H new ATOM 0 HB3 MET A 110 2.872 2.198 -0.172 1.00 54.24 H new ATOM 0 HG2 MET A 110 1.048 3.623 -0.026 1.00 33.54 H new ATOM 0 HG3 MET A 110 2.379 4.761 -0.100 1.00 33.54 H new ATOM 0 HE1 MET A 110 1.564 6.962 -2.959 1.00 61.31 H new ATOM 0 HE2 MET A 110 1.689 6.888 -1.185 1.00 61.31 H new ATOM 0 HE3 MET A 110 2.995 6.226 -2.198 1.00 61.31 H new ATOM 18 N GLN A 111 5.464 1.449 -2.232 1.00 40.43 N ATOM 19 CA GLN A 111 6.414 0.348 -2.138 1.00 64.55 C ATOM 20 C GLN A 111 7.683 0.654 -2.928 1.00 31.02 C ATOM 21 O GLN A 111 7.684 1.506 -3.817 1.00 14.11 O ATOM 22 CB GLN A 111 5.780 -0.946 -2.652 1.00 71.20 C ATOM 23 CG GLN A 111 4.598 -1.417 -1.819 1.00 43.44 C ATOM 24 CD GLN A 111 3.292 -0.775 -2.245 1.00 4.44 C ATOM 25 OE1 GLN A 111 3.161 -0.295 -3.371 1.00 72.22 O ATOM 26 NE2 GLN A 111 2.318 -0.762 -1.343 1.00 55.00 N ATOM 0 H GLN A 111 5.032 1.557 -3.150 1.00 40.43 H new ATOM 0 HA GLN A 111 6.682 0.222 -1.089 1.00 64.55 H new ATOM 0 HB2 GLN A 111 5.452 -0.797 -3.681 1.00 71.20 H new ATOM 0 HB3 GLN A 111 6.537 -1.730 -2.669 1.00 71.20 H new ATOM 0 HG2 GLN A 111 4.510 -2.500 -1.900 1.00 43.44 H new ATOM 0 HG3 GLN A 111 4.785 -1.190 -0.769 1.00 43.44 H new ATOM 0 HE21 GLN A 111 2.471 -1.172 -0.421 1.00 55.00 H new ATOM 0 HE22 GLN A 111 1.417 -0.342 -1.572 1.00 55.00 H new ATOM 35 N THR A 112 8.764 -0.046 -2.597 1.00 74.10 N ATOM 36 CA THR A 112 10.039 0.152 -3.274 1.00 22.05 C ATOM 37 C THR A 112 10.518 -1.137 -3.933 1.00 10.55 C ATOM 38 O THR A 112 10.512 -2.200 -3.313 1.00 50.21 O ATOM 39 CB THR A 112 11.122 0.649 -2.297 1.00 32.31 C ATOM 40 OG1 THR A 112 11.363 -0.339 -1.289 1.00 35.24 O ATOM 41 CG2 THR A 112 10.702 1.956 -1.643 1.00 12.32 C ATOM 0 H THR A 112 8.781 -0.755 -1.864 1.00 74.10 H new ATOM 0 HA THR A 112 9.876 0.910 -4.041 1.00 22.05 H new ATOM 0 HB THR A 112 12.038 0.822 -2.862 1.00 32.31 H new ATOM 0 HG1 THR A 112 12.054 -0.016 -0.673 1.00 35.24 H new ATOM 0 HG21 THR A 112 11.482 2.287 -0.958 1.00 12.32 H new ATOM 0 HG22 THR A 112 10.548 2.714 -2.411 1.00 12.32 H new ATOM 0 HG23 THR A 112 9.774 1.805 -1.091 1.00 12.32 H new ATOM 49 N GLN A 113 10.933 -1.033 -5.191 1.00 75.41 N ATOM 50 CA GLN A 113 11.415 -2.192 -5.933 1.00 72.04 C ATOM 51 C GLN A 113 12.783 -2.633 -5.425 1.00 22.32 C ATOM 52 O GLN A 113 13.648 -1.804 -5.142 1.00 30.45 O ATOM 53 CB GLN A 113 11.492 -1.871 -7.427 1.00 72.41 C ATOM 54 CG GLN A 113 12.535 -0.820 -7.771 1.00 31.33 C ATOM 55 CD GLN A 113 12.485 -0.403 -9.227 1.00 65.44 C ATOM 56 OE1 GLN A 113 11.463 -0.560 -9.895 1.00 50.44 O ATOM 57 NE2 GLN A 113 13.593 0.131 -9.728 1.00 61.14 N ATOM 0 H GLN A 113 10.945 -0.159 -5.717 1.00 75.41 H new ATOM 0 HA GLN A 113 10.710 -3.009 -5.780 1.00 72.04 H new ATOM 0 HB2 GLN A 113 11.716 -2.786 -7.976 1.00 72.41 H new ATOM 0 HB3 GLN A 113 10.515 -1.526 -7.767 1.00 72.41 H new ATOM 0 HG2 GLN A 113 12.384 0.056 -7.141 1.00 31.33 H new ATOM 0 HG3 GLN A 113 13.527 -1.210 -7.542 1.00 31.33 H new ATOM 0 HE21 GLN A 113 14.417 0.242 -9.138 1.00 61.14 H new ATOM 0 HE22 GLN A 113 13.620 0.430 -10.703 1.00 61.14 H new ATOM 66 N SER A 114 12.972 -3.944 -5.311 1.00 64.12 N ATOM 67 CA SER A 114 14.235 -4.496 -4.833 1.00 15.45 C ATOM 68 C SER A 114 14.870 -5.395 -5.889 1.00 12.32 C ATOM 69 O SER A 114 14.265 -5.682 -6.923 1.00 4.23 O ATOM 70 CB SER A 114 14.013 -5.285 -3.541 1.00 3.13 C ATOM 71 OG SER A 114 15.174 -5.268 -2.728 1.00 30.32 O ATOM 0 H SER A 114 12.267 -4.644 -5.543 1.00 64.12 H new ATOM 0 HA SER A 114 14.913 -3.667 -4.633 1.00 15.45 H new ATOM 0 HB2 SER A 114 13.174 -4.860 -2.991 1.00 3.13 H new ATOM 0 HB3 SER A 114 13.748 -6.315 -3.781 1.00 3.13 H new ATOM 0 HG SER A 114 15.006 -5.777 -1.908 1.00 30.32 H new ATOM 77 N THR A 115 16.095 -5.837 -5.621 1.00 73.13 N ATOM 78 CA THR A 115 16.814 -6.702 -6.548 1.00 20.45 C ATOM 79 C THR A 115 16.805 -8.149 -6.068 1.00 23.32 C ATOM 80 O THR A 115 16.951 -8.420 -4.875 1.00 44.34 O ATOM 81 CB THR A 115 18.273 -6.242 -6.728 1.00 71.24 C ATOM 82 OG1 THR A 115 18.904 -7.009 -7.760 1.00 51.34 O ATOM 83 CG2 THR A 115 19.052 -6.391 -5.431 1.00 22.25 C ATOM 0 H THR A 115 16.609 -5.610 -4.770 1.00 73.13 H new ATOM 0 HA THR A 115 16.299 -6.636 -7.506 1.00 20.45 H new ATOM 0 HB THR A 115 18.266 -5.189 -7.010 1.00 71.24 H new ATOM 0 HG1 THR A 115 18.230 -7.301 -8.409 1.00 51.34 H new ATOM 0 HG21 THR A 115 20.079 -6.060 -5.583 1.00 22.25 H new ATOM 0 HG22 THR A 115 18.586 -5.784 -4.655 1.00 22.25 H new ATOM 0 HG23 THR A 115 19.050 -7.437 -5.123 1.00 22.25 H new ATOM 91 N CYS A 116 16.634 -9.077 -7.004 1.00 12.05 N ATOM 92 CA CYS A 116 16.606 -10.497 -6.677 1.00 22.52 C ATOM 93 C CYS A 116 17.083 -11.337 -7.859 1.00 5.25 C ATOM 94 O CYS A 116 16.945 -10.954 -9.020 1.00 50.43 O ATOM 95 CB CYS A 116 15.193 -10.922 -6.273 1.00 72.13 C ATOM 96 SG CYS A 116 14.767 -10.539 -4.544 1.00 55.02 S ATOM 0 H CYS A 116 16.513 -8.870 -7.995 1.00 12.05 H new ATOM 0 HA CYS A 116 17.282 -10.664 -5.838 1.00 22.52 H new ATOM 0 HB2 CYS A 116 14.476 -10.431 -6.930 1.00 72.13 H new ATOM 0 HB3 CYS A 116 15.088 -11.995 -6.433 1.00 72.13 H new ATOM 101 N PRO A 117 17.659 -12.510 -7.557 1.00 22.14 N ATOM 102 CA PRO A 117 18.168 -13.429 -8.580 1.00 11.44 C ATOM 103 C PRO A 117 17.047 -14.075 -9.387 1.00 45.44 C ATOM 104 O PRO A 117 16.125 -14.663 -8.825 1.00 14.33 O ATOM 105 CB PRO A 117 18.918 -14.486 -7.765 1.00 42.35 C ATOM 106 CG PRO A 117 18.274 -14.457 -6.422 1.00 62.04 C ATOM 107 CD PRO A 117 17.857 -13.031 -6.193 1.00 43.55 C ATOM 0 HA PRO A 117 18.789 -12.918 -9.315 1.00 11.44 H new ATOM 0 HB2 PRO A 117 18.834 -15.472 -8.223 1.00 42.35 H new ATOM 0 HB3 PRO A 117 19.981 -14.254 -7.699 1.00 42.35 H new ATOM 0 HG2 PRO A 117 17.414 -15.125 -6.387 1.00 62.04 H new ATOM 0 HG3 PRO A 117 18.967 -14.790 -5.650 1.00 62.04 H new ATOM 0 HD2 PRO A 117 16.943 -12.970 -5.603 1.00 43.55 H new ATOM 0 HD3 PRO A 117 18.622 -12.470 -5.656 1.00 43.55 H new ATOM 115 N GLU A 118 17.136 -13.961 -10.709 1.00 34.20 N ATOM 116 CA GLU A 118 16.128 -14.535 -11.593 1.00 52.31 C ATOM 117 C GLU A 118 15.885 -16.004 -11.260 1.00 71.14 C ATOM 118 O GLU A 118 16.660 -16.622 -10.529 1.00 54.04 O ATOM 119 CB GLU A 118 16.561 -14.396 -13.054 1.00 73.11 C ATOM 120 CG GLU A 118 16.222 -13.046 -13.664 1.00 23.12 C ATOM 121 CD GLU A 118 14.903 -13.058 -14.412 1.00 65.11 C ATOM 122 OE1 GLU A 118 14.162 -14.056 -14.291 1.00 3.13 O ATOM 123 OE2 GLU A 118 14.613 -12.071 -15.119 1.00 13.31 O ATOM 0 H GLU A 118 17.894 -13.477 -11.190 1.00 34.20 H new ATOM 0 HA GLU A 118 15.197 -13.988 -11.444 1.00 52.31 H new ATOM 0 HB2 GLU A 118 17.637 -14.556 -13.122 1.00 73.11 H new ATOM 0 HB3 GLU A 118 16.084 -15.181 -13.642 1.00 73.11 H new ATOM 0 HG2 GLU A 118 16.181 -12.295 -12.875 1.00 23.12 H new ATOM 0 HG3 GLU A 118 17.019 -12.749 -14.346 1.00 23.12 H new ATOM 130 N ILE A 119 14.804 -16.556 -11.801 1.00 62.24 N ATOM 131 CA ILE A 119 14.459 -17.952 -11.563 1.00 23.22 C ATOM 132 C ILE A 119 14.958 -18.843 -12.696 1.00 13.03 C ATOM 133 O ILE A 119 14.768 -18.552 -13.877 1.00 30.01 O ATOM 134 CB ILE A 119 12.938 -18.138 -11.410 1.00 22.11 C ATOM 135 CG1 ILE A 119 12.404 -17.246 -10.288 1.00 34.14 C ATOM 136 CG2 ILE A 119 12.608 -19.598 -11.137 1.00 12.23 C ATOM 137 CD1 ILE A 119 12.970 -17.583 -8.926 1.00 70.31 C ATOM 0 H ILE A 119 14.152 -16.058 -12.407 1.00 62.24 H new ATOM 0 HA ILE A 119 14.948 -18.243 -10.633 1.00 23.22 H new ATOM 0 HB ILE A 119 12.455 -17.845 -12.342 1.00 22.11 H new ATOM 0 HG12 ILE A 119 12.634 -16.206 -10.521 1.00 34.14 H new ATOM 0 HG13 ILE A 119 11.318 -17.332 -10.252 1.00 34.14 H new ATOM 0 HG21 ILE A 119 11.529 -19.714 -11.031 1.00 12.23 H new ATOM 0 HG22 ILE A 119 12.959 -20.212 -11.967 1.00 12.23 H new ATOM 0 HG23 ILE A 119 13.099 -19.916 -10.217 1.00 12.23 H new ATOM 0 HD11 ILE A 119 12.547 -16.910 -8.180 1.00 70.31 H new ATOM 0 HD12 ILE A 119 12.717 -18.612 -8.672 1.00 70.31 H new ATOM 0 HD13 ILE A 119 14.054 -17.469 -8.944 1.00 70.31 H new ATOM 149 N PRO A 120 15.610 -19.957 -12.330 1.00 13.53 N ATOM 150 CA PRO A 120 16.147 -20.915 -13.300 1.00 51.45 C ATOM 151 C PRO A 120 15.047 -21.680 -14.029 1.00 24.12 C ATOM 152 O PRO A 120 14.258 -22.392 -13.408 1.00 31.11 O ATOM 153 CB PRO A 120 16.979 -21.866 -12.437 1.00 12.02 C ATOM 154 CG PRO A 120 16.368 -21.779 -11.081 1.00 34.10 C ATOM 155 CD PRO A 120 15.872 -20.366 -10.940 1.00 21.41 C ATOM 0 HA PRO A 120 16.719 -20.422 -14.086 1.00 51.45 H new ATOM 0 HB2 PRO A 120 16.943 -22.885 -12.823 1.00 12.02 H new ATOM 0 HB3 PRO A 120 18.028 -21.569 -12.419 1.00 12.02 H new ATOM 0 HG2 PRO A 120 15.550 -22.492 -10.975 1.00 34.10 H new ATOM 0 HG3 PRO A 120 17.099 -22.015 -10.308 1.00 34.10 H new ATOM 0 HD2 PRO A 120 14.970 -20.315 -10.329 1.00 21.41 H new ATOM 0 HD3 PRO A 120 16.615 -19.725 -10.465 1.00 21.41 H new ATOM 163 N ASP A 121 15.002 -21.529 -15.348 1.00 22.22 N ATOM 164 CA ASP A 121 14.000 -22.208 -16.161 1.00 71.01 C ATOM 165 C ASP A 121 14.636 -22.828 -17.402 1.00 14.34 C ATOM 166 O ASP A 121 15.611 -22.304 -17.940 1.00 60.14 O ATOM 167 CB ASP A 121 12.898 -21.230 -16.572 1.00 20.11 C ATOM 168 CG ASP A 121 12.062 -20.772 -15.393 1.00 75.14 C ATOM 169 OD1 ASP A 121 12.606 -20.067 -14.519 1.00 12.44 O ATOM 170 OD2 ASP A 121 10.863 -21.120 -15.345 1.00 52.23 O ATOM 0 H ASP A 121 15.648 -20.943 -15.877 1.00 22.22 H new ATOM 0 HA ASP A 121 13.562 -23.006 -15.562 1.00 71.01 H new ATOM 0 HB2 ASP A 121 13.348 -20.362 -17.054 1.00 20.11 H new ATOM 0 HB3 ASP A 121 12.251 -21.705 -17.310 1.00 20.11 H new ATOM 175 N LYS A 122 14.077 -23.947 -17.850 1.00 23.02 N ATOM 176 CA LYS A 122 14.588 -24.639 -19.027 1.00 22.41 C ATOM 177 C LYS A 122 14.513 -23.745 -20.260 1.00 3.52 C ATOM 178 O LYS A 122 15.178 -23.997 -21.265 1.00 63.21 O ATOM 179 CB LYS A 122 13.798 -25.927 -19.270 1.00 31.34 C ATOM 180 CG LYS A 122 13.796 -26.873 -18.081 1.00 0.10 C ATOM 181 CD LYS A 122 15.087 -27.671 -18.001 1.00 75.14 C ATOM 182 CE LYS A 122 15.012 -28.936 -18.842 1.00 61.34 C ATOM 183 NZ LYS A 122 16.083 -29.906 -18.481 1.00 71.13 N ATOM 0 H LYS A 122 13.270 -24.394 -17.415 1.00 23.02 H new ATOM 0 HA LYS A 122 15.633 -24.889 -18.844 1.00 22.41 H new ATOM 0 HB2 LYS A 122 12.769 -25.670 -19.521 1.00 31.34 H new ATOM 0 HB3 LYS A 122 14.217 -26.443 -20.134 1.00 31.34 H new ATOM 0 HG2 LYS A 122 13.662 -26.303 -17.162 1.00 0.10 H new ATOM 0 HG3 LYS A 122 12.950 -27.555 -18.159 1.00 0.10 H new ATOM 0 HD2 LYS A 122 15.919 -27.055 -18.342 1.00 75.14 H new ATOM 0 HD3 LYS A 122 15.290 -27.934 -16.963 1.00 75.14 H new ATOM 0 HE2 LYS A 122 14.037 -29.405 -18.707 1.00 61.34 H new ATOM 0 HE3 LYS A 122 15.098 -28.676 -19.897 1.00 61.34 H new ATOM 0 HZ1 LYS A 122 15.998 -30.755 -19.076 1.00 71.13 H new ATOM 0 HZ2 LYS A 122 17.014 -29.468 -18.634 1.00 71.13 H new ATOM 0 HZ3 LYS A 122 15.986 -30.174 -17.481 1.00 71.13 H new ATOM 197 N THR A 123 13.700 -22.696 -20.176 1.00 44.10 N ATOM 198 CA THR A 123 13.539 -21.763 -21.284 1.00 61.44 C ATOM 199 C THR A 123 14.265 -20.452 -21.009 1.00 43.44 C ATOM 200 O THR A 123 14.694 -19.762 -21.935 1.00 34.31 O ATOM 201 CB THR A 123 12.052 -21.467 -21.557 1.00 44.40 C ATOM 202 OG1 THR A 123 11.256 -22.611 -21.230 1.00 23.01 O ATOM 203 CG2 THR A 123 11.834 -21.091 -23.015 1.00 1.42 C ATOM 0 H THR A 123 13.143 -22.472 -19.352 1.00 44.10 H new ATOM 0 HA THR A 123 13.975 -22.238 -22.163 1.00 61.44 H new ATOM 0 HB THR A 123 11.751 -20.626 -20.932 1.00 44.40 H new ATOM 0 HG1 THR A 123 10.312 -22.414 -21.405 1.00 23.01 H new ATOM 0 HG21 THR A 123 10.777 -20.886 -23.184 1.00 1.42 H new ATOM 0 HG22 THR A 123 12.418 -20.202 -23.253 1.00 1.42 H new ATOM 0 HG23 THR A 123 12.151 -21.915 -23.655 1.00 1.42 H new ATOM 211 N SER A 124 14.401 -20.112 -19.731 1.00 61.44 N ATOM 212 CA SER A 124 15.073 -18.881 -19.335 1.00 4.32 C ATOM 213 C SER A 124 16.331 -19.184 -18.526 1.00 62.43 C ATOM 214 O SER A 124 16.253 -19.623 -17.378 1.00 62.03 O ATOM 215 CB SER A 124 14.128 -17.999 -18.516 1.00 71.34 C ATOM 216 OG SER A 124 12.796 -18.105 -18.989 1.00 11.44 O ATOM 0 H SER A 124 14.054 -20.672 -18.952 1.00 61.44 H new ATOM 0 HA SER A 124 15.363 -18.348 -20.241 1.00 4.32 H new ATOM 0 HB2 SER A 124 14.169 -18.292 -17.467 1.00 71.34 H new ATOM 0 HB3 SER A 124 14.455 -16.961 -18.570 1.00 71.34 H new ATOM 0 HG SER A 124 12.211 -17.534 -18.449 1.00 11.44 H new ATOM 222 N ILE A 125 17.489 -18.948 -19.134 1.00 52.00 N ATOM 223 CA ILE A 125 18.763 -19.195 -18.471 1.00 43.13 C ATOM 224 C ILE A 125 19.651 -17.956 -18.508 1.00 44.24 C ATOM 225 O ILE A 125 19.475 -17.077 -19.353 1.00 21.11 O ATOM 226 CB ILE A 125 19.516 -20.372 -19.119 1.00 42.23 C ATOM 227 CG1 ILE A 125 18.574 -21.561 -19.318 1.00 11.11 C ATOM 228 CG2 ILE A 125 20.710 -20.772 -18.265 1.00 12.20 C ATOM 229 CD1 ILE A 125 17.821 -21.523 -20.629 1.00 42.15 C ATOM 0 H ILE A 125 17.571 -18.586 -20.084 1.00 52.00 H new ATOM 0 HA ILE A 125 18.536 -19.446 -17.435 1.00 43.13 H new ATOM 0 HB ILE A 125 19.883 -20.056 -20.096 1.00 42.23 H new ATOM 0 HG12 ILE A 125 19.151 -22.484 -19.267 1.00 11.11 H new ATOM 0 HG13 ILE A 125 17.857 -21.587 -18.497 1.00 11.11 H new ATOM 0 HG21 ILE A 125 21.232 -21.605 -18.736 1.00 12.20 H new ATOM 0 HG22 ILE A 125 21.390 -19.925 -18.170 1.00 12.20 H new ATOM 0 HG23 ILE A 125 20.365 -21.073 -17.276 1.00 12.20 H new ATOM 0 HD11 ILE A 125 17.173 -22.396 -20.702 1.00 42.15 H new ATOM 0 HD12 ILE A 125 17.216 -20.617 -20.675 1.00 42.15 H new ATOM 0 HD13 ILE A 125 18.531 -21.528 -21.456 1.00 42.15 H new ATOM 241 N CYS A 126 20.608 -17.892 -17.588 1.00 60.53 N ATOM 242 CA CYS A 126 21.526 -16.762 -17.515 1.00 70.24 C ATOM 243 C CYS A 126 22.924 -17.166 -17.976 1.00 32.14 C ATOM 244 O CYS A 126 23.379 -18.278 -17.710 1.00 12.45 O ATOM 245 CB CYS A 126 21.585 -16.218 -16.087 1.00 11.51 C ATOM 246 SG CYS A 126 22.872 -14.955 -15.825 1.00 53.11 S ATOM 0 H CYS A 126 20.768 -18.611 -16.882 1.00 60.53 H new ATOM 0 HA CYS A 126 21.155 -15.981 -18.179 1.00 70.24 H new ATOM 0 HB2 CYS A 126 20.615 -15.791 -15.832 1.00 11.51 H new ATOM 0 HB3 CYS A 126 21.759 -17.047 -15.401 1.00 11.51 H new ATOM 251 N ASN A 127 23.599 -16.254 -18.667 1.00 64.45 N ATOM 252 CA ASN A 127 24.945 -16.515 -19.165 1.00 62.22 C ATOM 253 C ASN A 127 25.994 -15.879 -18.258 1.00 14.42 C ATOM 254 O ASN A 127 25.660 -15.227 -17.268 1.00 72.22 O ATOM 255 CB ASN A 127 25.097 -15.981 -20.591 1.00 34.20 C ATOM 256 CG ASN A 127 24.066 -16.563 -21.539 1.00 33.32 C ATOM 257 OD1 ASN A 127 24.283 -17.616 -22.139 1.00 53.24 O ATOM 258 ND2 ASN A 127 22.936 -15.879 -21.677 1.00 43.43 N ATOM 0 H ASN A 127 23.237 -15.328 -18.895 1.00 64.45 H new ATOM 0 HA ASN A 127 25.100 -17.594 -19.170 1.00 62.22 H new ATOM 0 HB2 ASN A 127 25.005 -14.895 -20.581 1.00 34.20 H new ATOM 0 HB3 ASN A 127 26.097 -16.213 -20.958 1.00 34.20 H new ATOM 0 HD21 ASN A 127 22.205 -16.222 -22.300 1.00 43.43 H new ATOM 0 HD22 ASN A 127 22.799 -15.011 -21.160 1.00 43.43 H new ATOM 265 N SER A 128 27.263 -16.072 -18.603 1.00 13.41 N ATOM 266 CA SER A 128 28.361 -15.519 -17.818 1.00 74.31 C ATOM 267 C SER A 128 28.282 -13.996 -17.770 1.00 73.51 C ATOM 268 O SER A 128 27.505 -13.381 -18.500 1.00 53.21 O ATOM 269 CB SER A 128 29.705 -15.953 -18.406 1.00 74.43 C ATOM 270 OG SER A 128 29.967 -17.317 -18.126 1.00 24.32 O ATOM 0 H SER A 128 27.556 -16.607 -19.420 1.00 13.41 H new ATOM 0 HA SER A 128 28.277 -15.902 -16.801 1.00 74.31 H new ATOM 0 HB2 SER A 128 29.702 -15.794 -19.484 1.00 74.43 H new ATOM 0 HB3 SER A 128 30.502 -15.334 -17.994 1.00 74.43 H new ATOM 0 HG SER A 128 30.831 -17.571 -18.514 1.00 24.32 H new ATOM 276 N ASP A 129 29.091 -13.396 -16.905 1.00 45.42 N ATOM 277 CA ASP A 129 29.115 -11.945 -16.761 1.00 43.43 C ATOM 278 C ASP A 129 29.424 -11.271 -18.095 1.00 22.22 C ATOM 279 O ASP A 129 28.952 -10.168 -18.368 1.00 64.12 O ATOM 280 CB ASP A 129 30.152 -11.532 -15.715 1.00 53.50 C ATOM 281 CG ASP A 129 31.470 -12.260 -15.887 1.00 42.22 C ATOM 282 OD1 ASP A 129 31.610 -13.373 -15.338 1.00 12.21 O ATOM 283 OD2 ASP A 129 32.362 -11.717 -16.572 1.00 62.20 O ATOM 0 H ASP A 129 29.739 -13.891 -16.293 1.00 45.42 H new ATOM 0 HA ASP A 129 28.128 -11.621 -16.431 1.00 43.43 H new ATOM 0 HB2 ASP A 129 30.323 -10.457 -15.781 1.00 53.50 H new ATOM 0 HB3 ASP A 129 29.758 -11.731 -14.719 1.00 53.50 H new ATOM 288 N ALA A 130 30.220 -11.943 -18.920 1.00 43.55 N ATOM 289 CA ALA A 130 30.591 -11.410 -20.225 1.00 45.34 C ATOM 290 C ALA A 130 29.485 -11.643 -21.249 1.00 11.35 C ATOM 291 O ALA A 130 29.593 -11.221 -22.400 1.00 74.33 O ATOM 292 CB ALA A 130 31.893 -12.037 -20.701 1.00 23.30 C ATOM 0 H ALA A 130 30.620 -12.857 -18.708 1.00 43.55 H new ATOM 0 HA ALA A 130 30.734 -10.334 -20.122 1.00 45.34 H new ATOM 0 HB1 ALA A 130 32.158 -11.630 -21.677 1.00 23.30 H new ATOM 0 HB2 ALA A 130 32.686 -11.814 -19.987 1.00 23.30 H new ATOM 0 HB3 ALA A 130 31.769 -13.117 -20.780 1.00 23.30 H new ATOM 298 N ASP A 131 28.423 -12.316 -20.821 1.00 72.40 N ATOM 299 CA ASP A 131 27.296 -12.605 -21.700 1.00 71.33 C ATOM 300 C ASP A 131 25.989 -12.107 -21.090 1.00 62.25 C ATOM 301 O ASP A 131 24.920 -12.255 -21.682 1.00 55.33 O ATOM 302 CB ASP A 131 27.206 -14.108 -21.973 1.00 10.44 C ATOM 303 CG ASP A 131 28.229 -14.574 -22.990 1.00 1.24 C ATOM 304 OD1 ASP A 131 28.016 -14.338 -24.197 1.00 53.25 O ATOM 305 OD2 ASP A 131 29.244 -15.174 -22.578 1.00 15.03 O ATOM 0 H ASP A 131 28.319 -12.672 -19.871 1.00 72.40 H new ATOM 0 HA ASP A 131 27.459 -12.082 -22.642 1.00 71.33 H new ATOM 0 HB2 ASP A 131 27.351 -14.653 -21.040 1.00 10.44 H new ATOM 0 HB3 ASP A 131 26.205 -14.350 -22.331 1.00 10.44 H new ATOM 310 N CYS A 132 26.083 -11.518 -19.903 1.00 42.23 N ATOM 311 CA CYS A 132 24.909 -10.999 -19.211 1.00 64.05 C ATOM 312 C CYS A 132 25.018 -9.490 -19.013 1.00 54.23 C ATOM 313 O CYS A 132 26.014 -8.990 -18.490 1.00 64.33 O ATOM 314 CB CYS A 132 24.742 -11.692 -17.858 1.00 1.55 C ATOM 315 SG CYS A 132 23.019 -11.770 -17.270 1.00 44.42 S ATOM 0 H CYS A 132 26.961 -11.388 -19.400 1.00 42.23 H new ATOM 0 HA CYS A 132 24.034 -11.204 -19.827 1.00 64.05 H new ATOM 0 HB2 CYS A 132 25.136 -12.706 -17.930 1.00 1.55 H new ATOM 0 HB3 CYS A 132 25.344 -11.167 -17.116 1.00 1.55 H new ATOM 320 N THR A 133 23.984 -8.768 -19.435 1.00 0.42 N ATOM 321 CA THR A 133 23.962 -7.316 -19.305 1.00 63.11 C ATOM 322 C THR A 133 22.669 -6.842 -18.653 1.00 55.33 C ATOM 323 O THR A 133 21.610 -7.454 -18.800 1.00 43.54 O ATOM 324 CB THR A 133 24.117 -6.627 -20.674 1.00 74.32 C ATOM 325 OG1 THR A 133 23.021 -6.980 -21.526 1.00 63.34 O ATOM 326 CG2 THR A 133 25.428 -7.024 -21.335 1.00 22.31 C ATOM 0 H THR A 133 23.151 -9.165 -19.870 1.00 0.42 H new ATOM 0 HA THR A 133 24.806 -7.042 -18.672 1.00 63.11 H new ATOM 0 HB THR A 133 24.121 -5.549 -20.515 1.00 74.32 H new ATOM 0 HG1 THR A 133 23.125 -6.537 -22.394 1.00 63.34 H new ATOM 0 HG21 THR A 133 25.515 -6.525 -22.300 1.00 22.31 H new ATOM 0 HG22 THR A 133 26.261 -6.728 -20.697 1.00 22.31 H new ATOM 0 HG23 THR A 133 25.449 -8.104 -21.482 1.00 22.31 H new ATOM 334 N PRO A 134 22.752 -5.725 -17.915 1.00 52.34 N ATOM 335 CA PRO A 134 21.596 -5.143 -17.227 1.00 53.31 C ATOM 336 C PRO A 134 20.584 -4.543 -18.198 1.00 64.11 C ATOM 337 O PRO A 134 20.694 -4.719 -19.411 1.00 32.02 O ATOM 338 CB PRO A 134 22.216 -4.047 -16.357 1.00 11.14 C ATOM 339 CG PRO A 134 23.480 -3.680 -17.053 1.00 44.25 C ATOM 340 CD PRO A 134 23.981 -4.944 -17.697 1.00 13.44 C ATOM 0 HA PRO A 134 21.039 -5.891 -16.663 1.00 53.31 H new ATOM 0 HB2 PRO A 134 21.550 -3.189 -16.267 1.00 11.14 H new ATOM 0 HB3 PRO A 134 22.411 -4.406 -15.347 1.00 11.14 H new ATOM 0 HG2 PRO A 134 23.304 -2.905 -17.799 1.00 44.25 H new ATOM 0 HG3 PRO A 134 24.212 -3.284 -16.349 1.00 44.25 H new ATOM 0 HD2 PRO A 134 24.499 -4.740 -18.634 1.00 13.44 H new ATOM 0 HD3 PRO A 134 24.684 -5.472 -17.053 1.00 13.44 H new ATOM 348 N GLY A 135 19.599 -3.833 -17.656 1.00 63.13 N ATOM 349 CA GLY A 135 18.583 -3.218 -18.490 1.00 11.13 C ATOM 350 C GLY A 135 17.270 -3.975 -18.457 1.00 63.34 C ATOM 351 O GLY A 135 16.510 -3.872 -17.495 1.00 31.21 O ATOM 0 H GLY A 135 19.487 -3.673 -16.655 1.00 63.13 H new ATOM 0 HA2 GLY A 135 18.416 -2.193 -18.158 1.00 11.13 H new ATOM 0 HA3 GLY A 135 18.943 -3.166 -19.517 1.00 11.13 H new ATOM 355 N SER A 136 17.002 -4.737 -19.513 1.00 25.51 N ATOM 356 CA SER A 136 15.770 -5.511 -19.604 1.00 73.02 C ATOM 357 C SER A 136 15.890 -6.602 -20.664 1.00 22.02 C ATOM 358 O SER A 136 16.002 -6.316 -21.856 1.00 71.10 O ATOM 359 CB SER A 136 14.590 -4.594 -19.932 1.00 42.42 C ATOM 360 OG SER A 136 14.620 -4.190 -21.290 1.00 60.44 O ATOM 0 H SER A 136 17.622 -4.835 -20.317 1.00 25.51 H new ATOM 0 HA SER A 136 15.596 -5.985 -18.638 1.00 73.02 H new ATOM 0 HB2 SER A 136 13.654 -5.112 -19.724 1.00 42.42 H new ATOM 0 HB3 SER A 136 14.618 -3.716 -19.287 1.00 42.42 H new ATOM 0 HG SER A 136 14.839 -4.960 -21.856 1.00 60.44 H new ATOM 366 N VAL A 137 15.867 -7.855 -20.220 1.00 14.32 N ATOM 367 CA VAL A 137 15.972 -8.990 -21.128 1.00 60.15 C ATOM 368 C VAL A 137 14.706 -9.839 -21.097 1.00 12.51 C ATOM 369 O VAL A 137 14.405 -10.559 -22.049 1.00 23.22 O ATOM 370 CB VAL A 137 17.181 -9.878 -20.779 1.00 72.31 C ATOM 371 CG1 VAL A 137 18.479 -9.194 -21.178 1.00 5.03 C ATOM 372 CG2 VAL A 137 17.181 -10.218 -19.296 1.00 71.03 C ATOM 0 H VAL A 137 15.777 -8.109 -19.236 1.00 14.32 H new ATOM 0 HA VAL A 137 16.107 -8.582 -22.130 1.00 60.15 H new ATOM 0 HB VAL A 137 17.101 -10.808 -21.342 1.00 72.31 H new ATOM 0 HG11 VAL A 137 19.322 -9.836 -20.924 1.00 5.03 H new ATOM 0 HG12 VAL A 137 18.476 -9.007 -22.252 1.00 5.03 H new ATOM 0 HG13 VAL A 137 18.570 -8.248 -20.645 1.00 5.03 H new ATOM 0 HG21 VAL A 137 18.042 -10.846 -19.067 1.00 71.03 H new ATOM 0 HG22 VAL A 137 17.236 -9.299 -18.712 1.00 71.03 H new ATOM 0 HG23 VAL A 137 16.265 -10.753 -19.045 1.00 71.03 H new ATOM 382 N ASP A 138 13.967 -9.748 -19.997 1.00 13.41 N ATOM 383 CA ASP A 138 12.731 -10.506 -19.841 1.00 52.22 C ATOM 384 C ASP A 138 11.519 -9.579 -19.852 1.00 4.32 C ATOM 385 O ASP A 138 11.124 -9.044 -18.815 1.00 54.25 O ATOM 386 CB ASP A 138 12.761 -11.310 -18.541 1.00 24.52 C ATOM 387 CG ASP A 138 13.968 -12.224 -18.454 1.00 30.23 C ATOM 388 OD1 ASP A 138 13.973 -13.267 -19.141 1.00 1.40 O ATOM 389 OD2 ASP A 138 14.907 -11.897 -17.697 1.00 71.45 O ATOM 0 H ASP A 138 14.202 -9.157 -19.200 1.00 13.41 H new ATOM 0 HA ASP A 138 12.648 -11.194 -20.683 1.00 52.22 H new ATOM 0 HB2 ASP A 138 12.766 -10.625 -17.693 1.00 24.52 H new ATOM 0 HB3 ASP A 138 11.851 -11.906 -18.464 1.00 24.52 H new ATOM 394 N THR A 139 10.934 -9.391 -21.031 1.00 22.13 N ATOM 395 CA THR A 139 9.770 -8.527 -21.177 1.00 72.12 C ATOM 396 C THR A 139 8.635 -8.974 -20.263 1.00 0.04 C ATOM 397 O THR A 139 7.768 -8.179 -19.898 1.00 4.22 O ATOM 398 CB THR A 139 9.264 -8.508 -22.632 1.00 40.30 C ATOM 399 OG1 THR A 139 10.373 -8.549 -23.537 1.00 1.52 O ATOM 400 CG2 THR A 139 8.431 -7.263 -22.899 1.00 31.22 C ATOM 0 H THR A 139 11.248 -9.826 -21.899 1.00 22.13 H new ATOM 0 HA THR A 139 10.085 -7.522 -20.896 1.00 72.12 H new ATOM 0 HB THR A 139 8.637 -9.386 -22.787 1.00 40.30 H new ATOM 0 HG1 THR A 139 10.043 -8.538 -24.460 1.00 1.52 H new ATOM 0 HG21 THR A 139 8.085 -7.272 -23.933 1.00 31.22 H new ATOM 0 HG22 THR A 139 7.572 -7.249 -22.229 1.00 31.22 H new ATOM 0 HG23 THR A 139 9.039 -6.375 -22.727 1.00 31.22 H new ATOM 408 N HIS A 140 8.646 -10.251 -19.894 1.00 60.23 N ATOM 409 CA HIS A 140 7.617 -10.804 -19.020 1.00 43.41 C ATOM 410 C HIS A 140 7.918 -10.486 -17.559 1.00 4.35 C ATOM 411 O HIS A 140 7.015 -10.445 -16.723 1.00 61.42 O ATOM 412 CB HIS A 140 7.512 -12.317 -19.214 1.00 2.41 C ATOM 413 CG HIS A 140 8.675 -13.075 -18.652 1.00 0.34 C ATOM 414 ND1 HIS A 140 8.723 -13.521 -17.348 1.00 32.41 N ATOM 415 CD2 HIS A 140 9.837 -13.466 -19.225 1.00 22.13 C ATOM 416 CE1 HIS A 140 9.865 -14.153 -17.143 1.00 33.21 C ATOM 417 NE2 HIS A 140 10.559 -14.134 -18.266 1.00 70.23 N ATOM 0 H HIS A 140 9.356 -10.922 -20.187 1.00 60.23 H new ATOM 0 HA HIS A 140 6.665 -10.345 -19.285 1.00 43.41 H new ATOM 0 HB2 HIS A 140 6.595 -12.673 -18.743 1.00 2.41 H new ATOM 0 HB3 HIS A 140 7.428 -12.534 -20.279 1.00 2.41 H new ATOM 0 HD2 HIS A 140 10.140 -13.286 -20.246 1.00 22.13 H new ATOM 0 HE1 HIS A 140 10.178 -14.608 -16.215 1.00 33.21 H new ATOM 0 HE2 HIS A 140 11.482 -14.548 -18.400 1.00 70.23 H new ATOM 425 N SER A 141 9.193 -10.262 -17.257 1.00 44.41 N ATOM 426 CA SER A 141 9.614 -9.952 -15.896 1.00 10.04 C ATOM 427 C SER A 141 9.313 -8.496 -15.552 1.00 22.21 C ATOM 428 O SER A 141 9.031 -8.164 -14.401 1.00 24.24 O ATOM 429 CB SER A 141 11.109 -10.230 -15.725 1.00 52.45 C ATOM 430 OG SER A 141 11.451 -10.358 -14.356 1.00 60.03 O ATOM 0 H SER A 141 9.953 -10.289 -17.937 1.00 44.41 H new ATOM 0 HA SER A 141 9.053 -10.592 -15.215 1.00 10.04 H new ATOM 0 HB2 SER A 141 11.375 -11.144 -16.256 1.00 52.45 H new ATOM 0 HB3 SER A 141 11.686 -9.421 -16.173 1.00 52.45 H new ATOM 0 HG SER A 141 12.411 -10.537 -14.274 1.00 60.03 H new ATOM 436 N SER A 142 9.376 -7.632 -16.560 1.00 15.23 N ATOM 437 CA SER A 142 9.114 -6.211 -16.365 1.00 10.50 C ATOM 438 C SER A 142 10.047 -5.626 -15.308 1.00 74.33 C ATOM 439 O SER A 142 9.733 -4.619 -14.675 1.00 74.24 O ATOM 440 CB SER A 142 7.657 -5.990 -15.953 1.00 60.25 C ATOM 441 OG SER A 142 6.772 -6.676 -16.822 1.00 63.14 O ATOM 0 H SER A 142 9.606 -7.891 -17.519 1.00 15.23 H new ATOM 0 HA SER A 142 9.298 -5.701 -17.310 1.00 10.50 H new ATOM 0 HB2 SER A 142 7.508 -6.336 -14.930 1.00 60.25 H new ATOM 0 HB3 SER A 142 7.430 -4.924 -15.965 1.00 60.25 H new ATOM 0 HG SER A 142 5.847 -6.520 -16.537 1.00 63.14 H new ATOM 447 N GLY A 143 11.197 -6.267 -15.123 1.00 72.35 N ATOM 448 CA GLY A 143 12.158 -5.798 -14.143 1.00 64.01 C ATOM 449 C GLY A 143 13.390 -5.189 -14.784 1.00 15.20 C ATOM 450 O GLY A 143 13.515 -5.167 -16.008 1.00 71.35 O ATOM 0 H GLY A 143 11.480 -7.103 -15.635 1.00 72.35 H new ATOM 0 HA2 GLY A 143 11.684 -5.057 -13.499 1.00 64.01 H new ATOM 0 HA3 GLY A 143 12.457 -6.630 -13.505 1.00 64.01 H new ATOM 454 N VAL A 144 14.301 -4.690 -13.955 1.00 21.11 N ATOM 455 CA VAL A 144 15.529 -4.077 -14.448 1.00 15.42 C ATOM 456 C VAL A 144 16.722 -5.005 -14.256 1.00 64.21 C ATOM 457 O VAL A 144 17.209 -5.185 -13.140 1.00 40.12 O ATOM 458 CB VAL A 144 15.813 -2.740 -13.737 1.00 55.11 C ATOM 459 CG1 VAL A 144 16.949 -2.000 -14.425 1.00 65.13 C ATOM 460 CG2 VAL A 144 14.557 -1.883 -13.694 1.00 14.32 C ATOM 0 H VAL A 144 14.212 -4.698 -12.939 1.00 21.11 H new ATOM 0 HA VAL A 144 15.385 -3.891 -15.512 1.00 15.42 H new ATOM 0 HB VAL A 144 16.117 -2.951 -12.712 1.00 55.11 H new ATOM 0 HG11 VAL A 144 17.135 -1.058 -13.909 1.00 65.13 H new ATOM 0 HG12 VAL A 144 17.850 -2.612 -14.399 1.00 65.13 H new ATOM 0 HG13 VAL A 144 16.677 -1.798 -15.461 1.00 65.13 H new ATOM 0 HG21 VAL A 144 14.775 -0.942 -13.188 1.00 14.32 H new ATOM 0 HG22 VAL A 144 14.221 -1.679 -14.711 1.00 14.32 H new ATOM 0 HG23 VAL A 144 13.773 -2.413 -13.152 1.00 14.32 H new ATOM 470 N ALA A 145 17.190 -5.593 -15.353 1.00 10.34 N ATOM 471 CA ALA A 145 18.329 -6.501 -15.306 1.00 71.20 C ATOM 472 C ALA A 145 19.537 -5.834 -14.656 1.00 73.54 C ATOM 473 O ALA A 145 19.802 -4.653 -14.879 1.00 52.33 O ATOM 474 CB ALA A 145 18.679 -6.982 -16.707 1.00 14.53 C ATOM 0 H ALA A 145 16.798 -5.456 -16.285 1.00 10.34 H new ATOM 0 HA ALA A 145 18.051 -7.361 -14.697 1.00 71.20 H new ATOM 0 HB1 ALA A 145 19.531 -7.659 -16.657 1.00 14.53 H new ATOM 0 HB2 ALA A 145 17.825 -7.505 -17.136 1.00 14.53 H new ATOM 0 HB3 ALA A 145 18.932 -6.126 -17.333 1.00 14.53 H new ATOM 480 N THR A 146 20.267 -6.599 -13.851 1.00 30.35 N ATOM 481 CA THR A 146 21.446 -6.082 -13.167 1.00 34.11 C ATOM 482 C THR A 146 22.720 -6.440 -13.922 1.00 45.32 C ATOM 483 O THR A 146 23.684 -5.674 -13.931 1.00 74.44 O ATOM 484 CB THR A 146 21.545 -6.626 -11.729 1.00 53.30 C ATOM 485 OG1 THR A 146 21.919 -8.008 -11.752 1.00 45.54 O ATOM 486 CG2 THR A 146 20.220 -6.466 -10.998 1.00 23.52 C ATOM 0 H THR A 146 20.063 -7.579 -13.657 1.00 30.35 H new ATOM 0 HA THR A 146 21.341 -4.998 -13.131 1.00 34.11 H new ATOM 0 HB THR A 146 22.306 -6.053 -11.199 1.00 53.30 H new ATOM 0 HG1 THR A 146 21.246 -8.521 -12.247 1.00 45.54 H new ATOM 0 HG21 THR A 146 20.314 -6.857 -9.985 1.00 23.52 H new ATOM 0 HG22 THR A 146 19.953 -5.410 -10.956 1.00 23.52 H new ATOM 0 HG23 THR A 146 19.443 -7.016 -11.529 1.00 23.52 H new ATOM 494 N GLY A 147 22.719 -7.608 -14.556 1.00 63.53 N ATOM 495 CA GLY A 147 23.882 -8.047 -15.307 1.00 13.54 C ATOM 496 C GLY A 147 24.691 -9.091 -14.564 1.00 61.21 C ATOM 497 O GLY A 147 25.356 -9.924 -15.180 1.00 72.42 O ATOM 0 H GLY A 147 21.934 -8.259 -14.563 1.00 63.53 H new ATOM 0 HA2 GLY A 147 23.559 -8.456 -16.265 1.00 13.54 H new ATOM 0 HA3 GLY A 147 24.516 -7.187 -15.524 1.00 13.54 H new ATOM 501 N ARG A 148 24.637 -9.046 -13.237 1.00 30.20 N ATOM 502 CA ARG A 148 25.373 -9.994 -12.410 1.00 22.42 C ATOM 503 C ARG A 148 24.698 -11.363 -12.419 1.00 50.20 C ATOM 504 O ARG A 148 23.524 -11.490 -12.071 1.00 12.03 O ATOM 505 CB ARG A 148 25.480 -9.476 -10.974 1.00 72.24 C ATOM 506 CG ARG A 148 26.342 -8.232 -10.839 1.00 24.15 C ATOM 507 CD ARG A 148 27.818 -8.556 -11.012 1.00 41.34 C ATOM 508 NE ARG A 148 28.409 -9.092 -9.789 1.00 74.43 N ATOM 509 CZ ARG A 148 28.683 -8.353 -8.720 1.00 65.53 C ATOM 510 NH1 ARG A 148 28.422 -7.054 -8.724 1.00 1.33 N ATOM 511 NH2 ARG A 148 29.221 -8.915 -7.645 1.00 14.25 N ATOM 0 H ARG A 148 24.091 -8.363 -12.712 1.00 30.20 H new ATOM 0 HA ARG A 148 26.375 -10.099 -12.827 1.00 22.42 H new ATOM 0 HB2 ARG A 148 24.480 -9.257 -10.600 1.00 72.24 H new ATOM 0 HB3 ARG A 148 25.891 -10.263 -10.342 1.00 72.24 H new ATOM 0 HG2 ARG A 148 26.040 -7.496 -11.584 1.00 24.15 H new ATOM 0 HG3 ARG A 148 26.180 -7.780 -9.861 1.00 24.15 H new ATOM 0 HD2 ARG A 148 27.938 -9.279 -11.819 1.00 41.34 H new ATOM 0 HD3 ARG A 148 28.354 -7.655 -11.309 1.00 41.34 H new ATOM 0 HE ARG A 148 28.623 -10.089 -9.754 1.00 74.43 H new ATOM 0 HH11 ARG A 148 28.010 -6.619 -9.549 1.00 1.33 H new ATOM 0 HH12 ARG A 148 28.633 -6.489 -7.902 1.00 1.33 H new ATOM 0 HH21 ARG A 148 29.424 -9.915 -7.640 1.00 14.25 H new ATOM 0 HH22 ARG A 148 29.431 -8.347 -6.824 1.00 14.25 H new ATOM 525 N CYS A 149 25.448 -12.384 -12.820 1.00 55.14 N ATOM 526 CA CYS A 149 24.923 -13.743 -12.877 1.00 14.15 C ATOM 527 C CYS A 149 25.426 -14.570 -11.697 1.00 43.30 C ATOM 528 O CYS A 149 26.564 -14.412 -11.255 1.00 45.21 O ATOM 529 CB CYS A 149 25.324 -14.413 -14.192 1.00 22.11 C ATOM 530 SG CYS A 149 24.326 -15.877 -14.616 1.00 0.14 S ATOM 0 H CYS A 149 26.422 -12.296 -13.110 1.00 55.14 H new ATOM 0 HA CYS A 149 23.836 -13.688 -12.823 1.00 14.15 H new ATOM 0 HB2 CYS A 149 25.241 -13.684 -14.998 1.00 22.11 H new ATOM 0 HB3 CYS A 149 26.372 -14.706 -14.133 1.00 22.11 H new ATOM 535 N VAL A 150 24.570 -15.452 -11.192 1.00 24.33 N ATOM 536 CA VAL A 150 24.928 -16.305 -10.065 1.00 20.43 C ATOM 537 C VAL A 150 24.178 -17.632 -10.120 1.00 1.55 C ATOM 538 O VAL A 150 23.065 -17.723 -10.637 1.00 54.40 O ATOM 539 CB VAL A 150 24.629 -15.614 -8.721 1.00 24.52 C ATOM 540 CG1 VAL A 150 25.432 -14.329 -8.591 1.00 53.34 C ATOM 541 CG2 VAL A 150 23.140 -15.339 -8.583 1.00 73.32 C ATOM 0 H VAL A 150 23.624 -15.595 -11.545 1.00 24.33 H new ATOM 0 HA VAL A 150 25.999 -16.493 -10.138 1.00 20.43 H new ATOM 0 HB VAL A 150 24.927 -16.283 -7.914 1.00 24.52 H new ATOM 0 HG11 VAL A 150 25.208 -13.855 -7.635 1.00 53.34 H new ATOM 0 HG12 VAL A 150 26.496 -14.558 -8.641 1.00 53.34 H new ATOM 0 HG13 VAL A 150 25.168 -13.651 -9.403 1.00 53.34 H new ATOM 0 HG21 VAL A 150 22.947 -14.851 -7.628 1.00 73.32 H new ATOM 0 HG22 VAL A 150 22.813 -14.690 -9.395 1.00 73.32 H new ATOM 0 HG23 VAL A 150 22.591 -16.279 -8.627 1.00 73.32 H new ATOM 551 N PRO A 151 24.801 -18.686 -9.573 1.00 34.32 N ATOM 552 CA PRO A 151 24.210 -20.028 -9.546 1.00 12.32 C ATOM 553 C PRO A 151 23.017 -20.117 -8.600 1.00 4.14 C ATOM 554 O PRO A 151 23.173 -20.413 -7.415 1.00 2.13 O ATOM 555 CB PRO A 151 25.356 -20.910 -9.046 1.00 63.20 C ATOM 556 CG PRO A 151 26.229 -19.991 -8.263 1.00 52.34 C ATOM 557 CD PRO A 151 26.129 -18.651 -8.938 1.00 40.34 C ATOM 0 HA PRO A 151 23.822 -20.322 -10.521 1.00 12.32 H new ATOM 0 HB2 PRO A 151 24.985 -21.727 -8.427 1.00 63.20 H new ATOM 0 HB3 PRO A 151 25.900 -21.361 -9.876 1.00 63.20 H new ATOM 0 HG2 PRO A 151 25.901 -19.931 -7.225 1.00 52.34 H new ATOM 0 HG3 PRO A 151 27.259 -20.347 -8.252 1.00 52.34 H new ATOM 0 HD2 PRO A 151 26.210 -17.833 -8.222 1.00 40.34 H new ATOM 0 HD3 PRO A 151 26.922 -18.511 -9.673 1.00 40.34 H new ATOM 565 N PHE A 152 21.826 -19.860 -9.130 1.00 44.41 N ATOM 566 CA PHE A 152 20.607 -19.911 -8.332 1.00 51.41 C ATOM 567 C PHE A 152 20.367 -21.318 -7.795 1.00 21.44 C ATOM 568 O PHE A 152 20.248 -21.521 -6.587 1.00 61.21 O ATOM 569 CB PHE A 152 19.407 -19.460 -9.167 1.00 54.11 C ATOM 570 CG PHE A 152 18.118 -19.429 -8.396 1.00 51.32 C ATOM 571 CD1 PHE A 152 17.414 -20.596 -8.151 1.00 33.44 C ATOM 572 CD2 PHE A 152 17.610 -18.231 -7.918 1.00 24.54 C ATOM 573 CE1 PHE A 152 16.228 -20.571 -7.441 1.00 73.32 C ATOM 574 CE2 PHE A 152 16.425 -18.200 -7.207 1.00 63.33 C ATOM 575 CZ PHE A 152 15.732 -19.371 -6.970 1.00 24.32 C ATOM 0 H PHE A 152 21.679 -19.614 -10.109 1.00 44.41 H new ATOM 0 HA PHE A 152 20.728 -19.234 -7.486 1.00 51.41 H new ATOM 0 HB2 PHE A 152 19.606 -18.466 -9.567 1.00 54.11 H new ATOM 0 HB3 PHE A 152 19.295 -20.130 -10.019 1.00 54.11 H new ATOM 0 HD1 PHE A 152 17.796 -21.537 -8.519 1.00 33.44 H new ATOM 0 HD2 PHE A 152 18.146 -17.312 -8.103 1.00 24.54 H new ATOM 0 HE1 PHE A 152 15.690 -21.489 -7.255 1.00 73.32 H new ATOM 0 HE2 PHE A 152 16.041 -17.261 -6.837 1.00 63.33 H new ATOM 0 HZ PHE A 152 14.804 -19.348 -6.418 1.00 24.32 H new ATOM 585 N ASN A 153 20.297 -22.287 -8.701 1.00 72.55 N ATOM 586 CA ASN A 153 20.070 -23.677 -8.320 1.00 11.44 C ATOM 587 C ASN A 153 21.393 -24.420 -8.161 1.00 34.13 C ATOM 588 O ASN A 153 22.461 -23.810 -8.156 1.00 24.34 O ATOM 589 CB ASN A 153 19.200 -24.379 -9.364 1.00 14.22 C ATOM 590 CG ASN A 153 18.097 -25.208 -8.734 1.00 62.43 C ATOM 591 OD1 ASN A 153 18.133 -26.438 -8.771 1.00 74.42 O ATOM 592 ND2 ASN A 153 17.110 -24.537 -8.152 1.00 43.25 N ATOM 0 H ASN A 153 20.394 -22.136 -9.705 1.00 72.55 H new ATOM 0 HA ASN A 153 19.552 -23.685 -7.361 1.00 11.44 H new ATOM 0 HB2 ASN A 153 18.758 -23.634 -10.025 1.00 14.22 H new ATOM 0 HB3 ASN A 153 19.826 -25.022 -9.982 1.00 14.22 H new ATOM 0 HD21 ASN A 153 16.341 -25.041 -7.712 1.00 43.25 H new ATOM 0 HD22 ASN A 153 17.121 -23.517 -8.145 1.00 43.25 H new ATOM 599 N GLU A 154 21.311 -25.741 -8.032 1.00 3.33 N ATOM 600 CA GLU A 154 22.502 -26.567 -7.873 1.00 3.24 C ATOM 601 C GLU A 154 23.128 -26.886 -9.227 1.00 42.22 C ATOM 602 O GLU A 154 24.345 -27.034 -9.341 1.00 51.04 O ATOM 603 CB GLU A 154 22.156 -27.865 -7.140 1.00 55.23 C ATOM 604 CG GLU A 154 22.138 -27.724 -5.627 1.00 70.25 C ATOM 605 CD GLU A 154 23.442 -27.179 -5.077 1.00 74.31 C ATOM 606 OE1 GLU A 154 24.369 -27.982 -4.844 1.00 3.33 O ATOM 607 OE2 GLU A 154 23.534 -25.949 -4.880 1.00 35.40 O ATOM 0 H GLU A 154 20.434 -26.261 -8.035 1.00 3.33 H new ATOM 0 HA GLU A 154 23.225 -26.006 -7.281 1.00 3.24 H new ATOM 0 HB2 GLU A 154 21.179 -28.212 -7.476 1.00 55.23 H new ATOM 0 HB3 GLU A 154 22.879 -28.632 -7.416 1.00 55.23 H new ATOM 0 HG2 GLU A 154 21.321 -27.063 -5.337 1.00 70.25 H new ATOM 0 HG3 GLU A 154 21.936 -28.696 -5.177 1.00 70.25 H new ATOM 614 N SER A 155 22.287 -26.991 -10.251 1.00 42.52 N ATOM 615 CA SER A 155 22.756 -27.296 -11.598 1.00 24.35 C ATOM 616 C SER A 155 22.278 -26.243 -12.592 1.00 0.41 C ATOM 617 O SER A 155 22.233 -26.485 -13.798 1.00 20.51 O ATOM 618 CB SER A 155 22.267 -28.680 -12.029 1.00 22.21 C ATOM 619 OG SER A 155 22.595 -29.662 -11.061 1.00 11.44 O ATOM 0 H SER A 155 21.277 -26.869 -10.174 1.00 42.52 H new ATOM 0 HA SER A 155 23.846 -27.290 -11.587 1.00 24.35 H new ATOM 0 HB2 SER A 155 21.187 -28.658 -12.177 1.00 22.21 H new ATOM 0 HB3 SER A 155 22.715 -28.945 -12.987 1.00 22.21 H new ATOM 0 HG SER A 155 22.270 -30.537 -11.360 1.00 11.44 H new ATOM 625 N VAL A 156 21.921 -25.070 -12.076 1.00 62.45 N ATOM 626 CA VAL A 156 21.447 -23.978 -12.918 1.00 10.04 C ATOM 627 C VAL A 156 21.904 -22.629 -12.375 1.00 45.55 C ATOM 628 O VAL A 156 22.125 -22.472 -11.174 1.00 45.35 O ATOM 629 CB VAL A 156 19.911 -23.981 -13.028 1.00 13.44 C ATOM 630 CG1 VAL A 156 19.450 -23.007 -14.101 1.00 44.54 C ATOM 631 CG2 VAL A 156 19.400 -25.384 -13.315 1.00 71.32 C ATOM 0 H VAL A 156 21.951 -24.852 -11.080 1.00 62.45 H new ATOM 0 HA VAL A 156 21.875 -24.132 -13.909 1.00 10.04 H new ATOM 0 HB VAL A 156 19.496 -23.656 -12.074 1.00 13.44 H new ATOM 0 HG11 VAL A 156 18.362 -23.023 -14.164 1.00 44.54 H new ATOM 0 HG12 VAL A 156 19.784 -22.001 -13.847 1.00 44.54 H new ATOM 0 HG13 VAL A 156 19.873 -23.298 -15.062 1.00 44.54 H new ATOM 0 HG21 VAL A 156 18.313 -25.367 -13.389 1.00 71.32 H new ATOM 0 HG22 VAL A 156 19.823 -25.740 -14.255 1.00 71.32 H new ATOM 0 HG23 VAL A 156 19.698 -26.052 -12.507 1.00 71.32 H new ATOM 641 N LYS A 157 22.045 -21.655 -13.269 1.00 35.02 N ATOM 642 CA LYS A 157 22.474 -20.317 -12.882 1.00 1.54 C ATOM 643 C LYS A 157 21.596 -19.253 -13.533 1.00 72.45 C ATOM 644 O LYS A 157 21.303 -19.321 -14.728 1.00 4.11 O ATOM 645 CB LYS A 157 23.937 -20.095 -13.273 1.00 11.11 C ATOM 646 CG LYS A 157 24.849 -21.250 -12.898 1.00 74.41 C ATOM 647 CD LYS A 157 26.291 -20.797 -12.751 1.00 25.30 C ATOM 648 CE LYS A 157 26.944 -20.566 -14.105 1.00 60.54 C ATOM 649 NZ LYS A 157 28.147 -19.695 -14.000 1.00 61.21 N ATOM 0 H LYS A 157 21.868 -21.768 -14.267 1.00 35.02 H new ATOM 0 HA LYS A 157 22.376 -20.231 -11.800 1.00 1.54 H new ATOM 0 HB2 LYS A 157 23.996 -19.931 -14.349 1.00 11.11 H new ATOM 0 HB3 LYS A 157 24.299 -19.186 -12.792 1.00 11.11 H new ATOM 0 HG2 LYS A 157 24.509 -21.694 -11.962 1.00 74.41 H new ATOM 0 HG3 LYS A 157 24.787 -22.026 -13.661 1.00 74.41 H new ATOM 0 HD2 LYS A 157 26.327 -19.877 -12.167 1.00 25.30 H new ATOM 0 HD3 LYS A 157 26.855 -21.548 -12.198 1.00 25.30 H new ATOM 0 HE2 LYS A 157 27.227 -21.525 -14.540 1.00 60.54 H new ATOM 0 HE3 LYS A 157 26.223 -20.109 -14.783 1.00 60.54 H new ATOM 0 HZ1 LYS A 157 28.563 -19.562 -14.944 1.00 61.21 H new ATOM 0 HZ2 LYS A 157 27.874 -18.771 -13.609 1.00 61.21 H new ATOM 0 HZ3 LYS A 157 28.846 -20.143 -13.374 1.00 61.21 H new ATOM 663 N THR A 158 21.178 -18.270 -12.742 1.00 21.21 N ATOM 664 CA THR A 158 20.334 -17.193 -13.242 1.00 12.31 C ATOM 665 C THR A 158 21.019 -15.840 -13.087 1.00 64.01 C ATOM 666 O THR A 158 22.104 -15.744 -12.511 1.00 73.23 O ATOM 667 CB THR A 158 18.979 -17.155 -12.511 1.00 33.34 C ATOM 668 OG1 THR A 158 19.178 -16.852 -11.125 1.00 52.34 O ATOM 669 CG2 THR A 158 18.255 -18.487 -12.644 1.00 53.42 C ATOM 0 H THR A 158 21.411 -18.198 -11.752 1.00 21.21 H new ATOM 0 HA THR A 158 20.163 -17.392 -14.300 1.00 12.31 H new ATOM 0 HB THR A 158 18.366 -16.378 -12.968 1.00 33.34 H new ATOM 0 HG1 THR A 158 18.309 -16.720 -10.691 1.00 52.34 H new ATOM 0 HG21 THR A 158 17.301 -18.436 -12.120 1.00 53.42 H new ATOM 0 HG22 THR A 158 18.079 -18.702 -13.698 1.00 53.42 H new ATOM 0 HG23 THR A 158 18.866 -19.278 -12.209 1.00 53.42 H new ATOM 677 N CYS A 159 20.381 -14.796 -13.604 1.00 13.41 N ATOM 678 CA CYS A 159 20.929 -13.447 -13.523 1.00 74.11 C ATOM 679 C CYS A 159 20.092 -12.575 -12.592 1.00 15.31 C ATOM 680 O CYS A 159 18.870 -12.707 -12.534 1.00 34.11 O ATOM 681 CB CYS A 159 20.989 -12.814 -14.915 1.00 22.51 C ATOM 682 SG CYS A 159 22.673 -12.675 -15.596 1.00 22.44 S ATOM 0 H CYS A 159 19.483 -14.858 -14.084 1.00 13.41 H new ATOM 0 HA CYS A 159 21.939 -13.516 -13.118 1.00 74.11 H new ATOM 0 HB2 CYS A 159 20.380 -13.406 -15.598 1.00 22.51 H new ATOM 0 HB3 CYS A 159 20.543 -11.820 -14.870 1.00 22.51 H new ATOM 687 N GLU A 160 20.759 -11.683 -11.866 1.00 21.41 N ATOM 688 CA GLU A 160 20.076 -10.790 -10.937 1.00 65.14 C ATOM 689 C GLU A 160 19.302 -9.712 -11.690 1.00 0.22 C ATOM 690 O GLU A 160 19.716 -9.268 -12.761 1.00 15.20 O ATOM 691 CB GLU A 160 21.084 -10.140 -9.986 1.00 73.33 C ATOM 692 CG GLU A 160 20.993 -10.654 -8.559 1.00 73.44 C ATOM 693 CD GLU A 160 21.790 -9.811 -7.584 1.00 21.25 C ATOM 694 OE1 GLU A 160 21.283 -8.751 -7.162 1.00 53.13 O ATOM 695 OE2 GLU A 160 22.922 -10.212 -7.241 1.00 21.51 O ATOM 0 H GLU A 160 21.771 -11.560 -11.903 1.00 21.41 H new ATOM 0 HA GLU A 160 19.369 -11.382 -10.356 1.00 65.14 H new ATOM 0 HB2 GLU A 160 22.092 -10.315 -10.363 1.00 73.33 H new ATOM 0 HB3 GLU A 160 20.927 -9.061 -9.985 1.00 73.33 H new ATOM 0 HG2 GLU A 160 19.948 -10.671 -8.249 1.00 73.44 H new ATOM 0 HG3 GLU A 160 21.353 -11.682 -8.523 1.00 73.44 H new ATOM 702 N VAL A 161 18.175 -9.295 -11.121 1.00 60.21 N ATOM 703 CA VAL A 161 17.342 -8.269 -11.737 1.00 1.14 C ATOM 704 C VAL A 161 16.624 -7.437 -10.680 1.00 21.12 C ATOM 705 O VAL A 161 16.728 -7.710 -9.484 1.00 73.34 O ATOM 706 CB VAL A 161 16.297 -8.888 -12.684 1.00 43.21 C ATOM 707 CG1 VAL A 161 16.975 -9.761 -13.730 1.00 11.45 C ATOM 708 CG2 VAL A 161 15.270 -9.686 -11.896 1.00 22.24 C ATOM 0 H VAL A 161 17.818 -9.652 -10.235 1.00 60.21 H new ATOM 0 HA VAL A 161 18.007 -7.625 -12.313 1.00 1.14 H new ATOM 0 HB VAL A 161 15.777 -8.081 -13.200 1.00 43.21 H new ATOM 0 HG11 VAL A 161 16.221 -10.190 -14.390 1.00 11.45 H new ATOM 0 HG12 VAL A 161 17.668 -9.156 -14.315 1.00 11.45 H new ATOM 0 HG13 VAL A 161 17.522 -10.563 -13.235 1.00 11.45 H new ATOM 0 HG21 VAL A 161 14.540 -10.116 -12.581 1.00 22.24 H new ATOM 0 HG22 VAL A 161 15.771 -10.486 -11.351 1.00 22.24 H new ATOM 0 HG23 VAL A 161 14.762 -9.029 -11.190 1.00 22.24 H new ATOM 718 N ALA A 162 15.895 -6.421 -11.129 1.00 43.33 N ATOM 719 CA ALA A 162 15.157 -5.550 -10.223 1.00 24.04 C ATOM 720 C ALA A 162 13.654 -5.760 -10.362 1.00 75.12 C ATOM 721 O ALA A 162 13.075 -5.494 -11.415 1.00 63.45 O ATOM 722 CB ALA A 162 15.515 -4.094 -10.481 1.00 41.04 C ATOM 0 H ALA A 162 15.800 -6.181 -12.116 1.00 43.33 H new ATOM 0 HA ALA A 162 15.440 -5.806 -9.202 1.00 24.04 H new ATOM 0 HB1 ALA A 162 14.956 -3.455 -9.797 1.00 41.04 H new ATOM 0 HB2 ALA A 162 16.584 -3.948 -10.322 1.00 41.04 H new ATOM 0 HB3 ALA A 162 15.262 -3.834 -11.509 1.00 41.04 H new ATOM 728 N ALA A 163 13.026 -6.239 -9.293 1.00 70.32 N ATOM 729 CA ALA A 163 11.589 -6.484 -9.297 1.00 10.34 C ATOM 730 C ALA A 163 11.008 -6.359 -7.892 1.00 74.44 C ATOM 731 O ALA A 163 11.700 -5.957 -6.957 1.00 53.55 O ATOM 732 CB ALA A 163 11.289 -7.859 -9.874 1.00 50.13 C ATOM 0 H ALA A 163 13.490 -6.465 -8.413 1.00 70.32 H new ATOM 0 HA ALA A 163 11.118 -5.729 -9.926 1.00 10.34 H new ATOM 0 HB1 ALA A 163 10.212 -8.028 -9.871 1.00 50.13 H new ATOM 0 HB2 ALA A 163 11.662 -7.914 -10.897 1.00 50.13 H new ATOM 0 HB3 ALA A 163 11.778 -8.622 -9.269 1.00 50.13 H new ATOM 738 N TRP A 164 9.734 -6.707 -7.752 1.00 54.10 N ATOM 739 CA TRP A 164 9.059 -6.633 -6.461 1.00 23.12 C ATOM 740 C TRP A 164 9.438 -7.819 -5.580 1.00 40.23 C ATOM 741 O TRP A 164 8.969 -8.938 -5.793 1.00 45.51 O ATOM 742 CB TRP A 164 7.543 -6.591 -6.656 1.00 12.20 C ATOM 743 CG TRP A 164 7.102 -5.571 -7.662 1.00 15.14 C ATOM 744 CD1 TRP A 164 6.399 -5.802 -8.810 1.00 30.44 C ATOM 745 CD2 TRP A 164 7.335 -4.159 -7.610 1.00 22.33 C ATOM 746 NE1 TRP A 164 6.182 -4.620 -9.475 1.00 11.35 N ATOM 747 CE2 TRP A 164 6.746 -3.597 -8.759 1.00 15.23 C ATOM 748 CE3 TRP A 164 7.983 -3.316 -6.704 1.00 2.54 C ATOM 749 CZ2 TRP A 164 6.787 -2.231 -9.023 1.00 50.43 C ATOM 750 CZ3 TRP A 164 8.024 -1.960 -6.968 1.00 12.21 C ATOM 751 CH2 TRP A 164 7.428 -1.428 -8.119 1.00 41.13 C ATOM 0 H TRP A 164 9.148 -7.043 -8.516 1.00 54.10 H new ATOM 0 HA TRP A 164 9.379 -5.717 -5.964 1.00 23.12 H new ATOM 0 HB2 TRP A 164 7.197 -7.575 -6.971 1.00 12.20 H new ATOM 0 HB3 TRP A 164 7.066 -6.377 -5.699 1.00 12.20 H new ATOM 0 HD1 TRP A 164 6.063 -6.772 -9.146 1.00 30.44 H new ATOM 0 HE1 TRP A 164 5.682 -4.520 -10.358 1.00 11.35 H new ATOM 0 HE3 TRP A 164 8.444 -3.717 -5.813 1.00 2.54 H new ATOM 0 HZ2 TRP A 164 6.329 -1.819 -9.910 1.00 50.43 H new ATOM 0 HZ3 TRP A 164 8.524 -1.299 -6.275 1.00 12.21 H new ATOM 0 HH2 TRP A 164 7.475 -0.364 -8.296 1.00 41.13 H new ATOM 762 N CYS A 165 10.288 -7.568 -4.591 1.00 5.43 N ATOM 763 CA CYS A 165 10.731 -8.614 -3.677 1.00 73.55 C ATOM 764 C CYS A 165 10.394 -8.254 -2.233 1.00 70.43 C ATOM 765 O CYS A 165 10.158 -7.094 -1.895 1.00 70.34 O ATOM 766 CB CYS A 165 12.237 -8.842 -3.820 1.00 51.11 C ATOM 767 SG CYS A 165 12.677 -10.333 -4.769 1.00 21.31 S ATOM 0 H CYS A 165 10.685 -6.648 -4.401 1.00 5.43 H new ATOM 0 HA CYS A 165 10.206 -9.533 -3.935 1.00 73.55 H new ATOM 0 HB2 CYS A 165 12.681 -7.972 -4.304 1.00 51.11 H new ATOM 0 HB3 CYS A 165 12.679 -8.914 -2.826 1.00 51.11 H new ATOM 772 N PRO A 166 10.371 -9.272 -1.360 1.00 21.02 N ATOM 773 CA PRO A 166 10.065 -9.088 0.062 1.00 64.10 C ATOM 774 C PRO A 166 11.175 -8.349 0.802 1.00 14.15 C ATOM 775 O PRO A 166 12.179 -7.959 0.207 1.00 25.34 O ATOM 776 CB PRO A 166 9.936 -10.521 0.585 1.00 11.22 C ATOM 777 CG PRO A 166 10.760 -11.340 -0.347 1.00 30.41 C ATOM 778 CD PRO A 166 10.642 -10.681 -1.693 1.00 4.51 C ATOM 0 HA PRO A 166 9.171 -8.483 0.212 1.00 64.10 H new ATOM 0 HB2 PRO A 166 10.298 -10.603 1.610 1.00 11.22 H new ATOM 0 HB3 PRO A 166 8.897 -10.849 0.587 1.00 11.22 H new ATOM 0 HG2 PRO A 166 11.799 -11.376 -0.020 1.00 30.41 H new ATOM 0 HG3 PRO A 166 10.401 -12.369 -0.383 1.00 30.41 H new ATOM 0 HD2 PRO A 166 11.558 -10.788 -2.274 1.00 4.51 H new ATOM 0 HD3 PRO A 166 9.837 -11.116 -2.284 1.00 4.51 H new ATOM 786 N VAL A 167 10.986 -8.159 2.105 1.00 42.04 N ATOM 787 CA VAL A 167 11.972 -7.468 2.927 1.00 51.41 C ATOM 788 C VAL A 167 13.296 -8.223 2.949 1.00 40.20 C ATOM 789 O VAL A 167 13.963 -8.298 3.981 1.00 53.40 O ATOM 790 CB VAL A 167 11.471 -7.289 4.372 1.00 30.35 C ATOM 791 CG1 VAL A 167 10.320 -6.297 4.420 1.00 14.52 C ATOM 792 CG2 VAL A 167 11.055 -8.629 4.961 1.00 64.10 C ATOM 0 H VAL A 167 10.159 -8.474 2.613 1.00 42.04 H new ATOM 0 HA VAL A 167 12.125 -6.486 2.479 1.00 51.41 H new ATOM 0 HB VAL A 167 12.288 -6.890 4.974 1.00 30.35 H new ATOM 0 HG11 VAL A 167 9.980 -6.184 5.449 1.00 14.52 H new ATOM 0 HG12 VAL A 167 10.655 -5.332 4.041 1.00 14.52 H new ATOM 0 HG13 VAL A 167 9.498 -6.663 3.804 1.00 14.52 H new ATOM 0 HG21 VAL A 167 10.704 -8.484 5.983 1.00 64.10 H new ATOM 0 HG22 VAL A 167 10.254 -9.058 4.359 1.00 64.10 H new ATOM 0 HG23 VAL A 167 11.909 -9.306 4.964 1.00 64.10 H new TER 802 VAL A 167