USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 6 SER OG : rot 180:sc= -0.662 USER MOD Set 1.2: A 11 MET CE :methyl -119:sc= -3.93! (180deg=-3.85!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00307 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.146 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.61! C(o=-4.6!,f=-10!) USER MOD Single : A 32 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.096) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0193 (180deg=-0.189) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.722 -1.694 -5.886 1.00 34.41 N ATOM 2 CA MET A 1 2.120 -1.863 -6.264 1.00 72.02 C ATOM 3 C MET A 1 3.027 -1.000 -5.393 1.00 13.11 C ATOM 4 O MET A 1 2.967 0.229 -5.445 1.00 65.34 O ATOM 5 CB MET A 1 2.318 -1.505 -7.738 1.00 62.24 C ATOM 6 CG MET A 1 1.846 -2.588 -8.695 1.00 43.24 C ATOM 7 SD MET A 1 0.266 -2.191 -9.468 1.00 62.21 S ATOM 8 CE MET A 1 0.600 -2.637 -11.170 1.00 63.43 C ATOM 0 H1 MET A 1 0.123 -1.753 -6.734 1.00 34.41 H new ATOM 0 H2 MET A 1 0.450 -2.443 -5.217 1.00 34.41 H new ATOM 0 H3 MET A 1 0.594 -0.765 -5.436 1.00 34.41 H new ATOM 0 HA MET A 1 2.388 -2.909 -6.112 1.00 72.02 H new ATOM 0 HB2 MET A 1 1.781 -0.581 -7.954 1.00 62.24 H new ATOM 0 HB3 MET A 1 3.375 -1.309 -7.917 1.00 62.24 H new ATOM 0 HG2 MET A 1 2.598 -2.736 -9.470 1.00 43.24 H new ATOM 0 HG3 MET A 1 1.755 -3.530 -8.155 1.00 43.24 H new ATOM 0 HE1 MET A 1 -0.286 -2.448 -11.776 1.00 63.43 H new ATOM 0 HE2 MET A 1 1.431 -2.040 -11.546 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.858 -3.695 -11.225 1.00 63.43 H new ATOM 18 N ASP A 2 3.864 -1.650 -4.593 1.00 22.13 N ATOM 19 CA ASP A 2 4.784 -0.942 -3.710 1.00 42.44 C ATOM 20 C ASP A 2 6.035 -1.775 -3.447 1.00 53.31 C ATOM 21 O ASP A 2 6.449 -1.944 -2.300 1.00 31.40 O ATOM 22 CB ASP A 2 4.095 -0.601 -2.388 1.00 5.20 C ATOM 23 CG ASP A 2 3.318 -1.772 -1.821 1.00 71.44 C ATOM 24 OD1 ASP A 2 3.923 -2.594 -1.102 1.00 23.52 O ATOM 25 OD2 ASP A 2 2.104 -1.867 -2.097 1.00 13.23 O ATOM 0 H ASP A 2 3.925 -2.667 -4.537 1.00 22.13 H new ATOM 0 HA ASP A 2 5.083 -0.017 -4.204 1.00 42.44 H new ATOM 0 HB2 ASP A 2 4.844 -0.281 -1.664 1.00 5.20 H new ATOM 0 HB3 ASP A 2 3.419 0.240 -2.541 1.00 5.20 H new ATOM 30 N ILE A 3 6.630 -2.292 -4.516 1.00 63.40 N ATOM 31 CA ILE A 3 7.833 -3.108 -4.400 1.00 1.41 C ATOM 32 C ILE A 3 9.052 -2.369 -4.943 1.00 30.51 C ATOM 33 O ILE A 3 8.921 -1.377 -5.659 1.00 41.15 O ATOM 34 CB ILE A 3 7.681 -4.445 -5.148 1.00 43.04 C ATOM 35 CG1 ILE A 3 6.227 -4.919 -5.100 1.00 24.42 C ATOM 36 CG2 ILE A 3 8.607 -5.494 -4.551 1.00 72.30 C ATOM 37 CD1 ILE A 3 5.994 -6.226 -5.826 1.00 14.24 C ATOM 0 H ILE A 3 6.299 -2.161 -5.472 1.00 63.40 H new ATOM 0 HA ILE A 3 7.976 -3.310 -3.339 1.00 1.41 H new ATOM 0 HB ILE A 3 7.959 -4.295 -6.191 1.00 43.04 H new ATOM 0 HG12 ILE A 3 5.924 -5.032 -4.059 1.00 24.42 H new ATOM 0 HG13 ILE A 3 5.588 -4.151 -5.536 1.00 24.42 H new ATOM 0 HG21 ILE A 3 8.488 -6.434 -5.090 1.00 72.30 H new ATOM 0 HG22 ILE A 3 9.640 -5.157 -4.633 1.00 72.30 H new ATOM 0 HG23 ILE A 3 8.357 -5.644 -3.501 1.00 72.30 H new ATOM 0 HD11 ILE A 3 4.942 -6.501 -5.751 1.00 14.24 H new ATOM 0 HD12 ILE A 3 6.265 -6.113 -6.876 1.00 14.24 H new ATOM 0 HD13 ILE A 3 6.606 -7.007 -5.375 1.00 14.24 H new ATOM 49 N ASP A 4 10.237 -2.862 -4.598 1.00 53.34 N ATOM 50 CA ASP A 4 11.480 -2.251 -5.054 1.00 2.14 C ATOM 51 C ASP A 4 12.086 -3.046 -6.206 1.00 51.44 C ATOM 52 O ASP A 4 13.076 -2.629 -6.808 1.00 72.35 O ATOM 53 CB ASP A 4 12.480 -2.159 -3.900 1.00 64.11 C ATOM 54 CG ASP A 4 13.598 -1.174 -4.180 1.00 42.11 C ATOM 55 OD1 ASP A 4 13.415 -0.301 -5.055 1.00 22.31 O ATOM 56 OD2 ASP A 4 14.656 -1.275 -3.524 1.00 14.11 O ATOM 0 H ASP A 4 10.363 -3.682 -4.005 1.00 53.34 H new ATOM 0 HA ASP A 4 11.253 -1.246 -5.410 1.00 2.14 H new ATOM 0 HB2 ASP A 4 11.956 -1.861 -2.992 1.00 64.11 H new ATOM 0 HB3 ASP A 4 12.906 -3.145 -3.713 1.00 64.11 H new ATOM 61 N PHE A 5 11.485 -4.192 -6.508 1.00 24.13 N ATOM 62 CA PHE A 5 11.967 -5.047 -7.587 1.00 14.40 C ATOM 63 C PHE A 5 11.691 -4.412 -8.947 1.00 61.11 C ATOM 64 O PHE A 5 12.203 -4.865 -9.971 1.00 31.53 O ATOM 65 CB PHE A 5 11.304 -6.423 -7.510 1.00 73.42 C ATOM 66 CG PHE A 5 11.811 -7.392 -8.540 1.00 44.42 C ATOM 67 CD1 PHE A 5 10.930 -8.174 -9.269 1.00 1.13 C ATOM 68 CD2 PHE A 5 13.170 -7.520 -8.779 1.00 42.54 C ATOM 69 CE1 PHE A 5 11.394 -9.066 -10.218 1.00 10.44 C ATOM 70 CE2 PHE A 5 13.640 -8.409 -9.727 1.00 72.02 C ATOM 71 CZ PHE A 5 12.751 -9.184 -10.446 1.00 52.13 C ATOM 0 H PHE A 5 10.663 -4.550 -6.021 1.00 24.13 H new ATOM 0 HA PHE A 5 13.045 -5.164 -7.472 1.00 14.40 H new ATOM 0 HB2 PHE A 5 11.469 -6.842 -6.517 1.00 73.42 H new ATOM 0 HB3 PHE A 5 10.227 -6.306 -7.632 1.00 73.42 H new ATOM 0 HD1 PHE A 5 9.868 -8.086 -9.094 1.00 1.13 H new ATOM 0 HD2 PHE A 5 13.870 -6.918 -8.218 1.00 42.54 H new ATOM 0 HE1 PHE A 5 10.697 -9.669 -10.780 1.00 10.44 H new ATOM 0 HE2 PHE A 5 14.701 -8.498 -9.906 1.00 72.02 H new ATOM 0 HZ PHE A 5 13.117 -9.881 -11.185 1.00 52.13 H new ATOM 81 N SER A 6 10.878 -3.361 -8.949 1.00 42.50 N ATOM 82 CA SER A 6 10.530 -2.666 -10.183 1.00 2.41 C ATOM 83 C SER A 6 10.084 -1.236 -9.894 1.00 2.53 C ATOM 84 O SER A 6 8.947 -0.997 -9.486 1.00 73.13 O ATOM 85 CB SER A 6 9.422 -3.418 -10.922 1.00 32.13 C ATOM 86 OG SER A 6 8.966 -2.682 -12.043 1.00 53.14 O ATOM 0 H SER A 6 10.448 -2.972 -8.110 1.00 42.50 H new ATOM 0 HA SER A 6 11.418 -2.631 -10.814 1.00 2.41 H new ATOM 0 HB2 SER A 6 9.793 -4.390 -11.248 1.00 32.13 H new ATOM 0 HB3 SER A 6 8.590 -3.605 -10.243 1.00 32.13 H new ATOM 0 HG SER A 6 8.259 -3.185 -12.499 1.00 53.14 H new ATOM 92 N THR A 7 10.989 -0.285 -10.107 1.00 61.34 N ATOM 93 CA THR A 7 10.691 1.121 -9.869 1.00 43.32 C ATOM 94 C THR A 7 11.668 2.024 -10.615 1.00 34.12 C ATOM 95 O THR A 7 11.879 3.176 -10.234 1.00 21.42 O ATOM 96 CB THR A 7 10.741 1.460 -8.367 1.00 65.33 C ATOM 97 OG1 THR A 7 11.711 0.635 -7.711 1.00 72.34 O ATOM 98 CG2 THR A 7 9.378 1.260 -7.722 1.00 5.31 C ATOM 0 H THR A 7 11.935 -0.464 -10.444 1.00 61.34 H new ATOM 0 HA THR A 7 9.681 1.297 -10.240 1.00 43.32 H new ATOM 0 HB THR A 7 11.025 2.507 -8.262 1.00 65.33 H new ATOM 0 HG1 THR A 7 11.628 0.741 -6.740 1.00 72.34 H new ATOM 0 HG21 THR A 7 9.438 1.505 -6.662 1.00 5.31 H new ATOM 0 HG22 THR A 7 8.648 1.910 -8.204 1.00 5.31 H new ATOM 0 HG23 THR A 7 9.070 0.221 -7.837 1.00 5.31 H new ATOM 106 N CYS A 8 12.260 1.495 -11.680 1.00 22.42 N ATOM 107 CA CYS A 8 13.215 2.252 -12.480 1.00 54.30 C ATOM 108 C CYS A 8 12.963 2.042 -13.970 1.00 53.24 C ATOM 109 O CYS A 8 12.300 1.085 -14.369 1.00 50.24 O ATOM 110 CB CYS A 8 14.646 1.840 -12.130 1.00 51.14 C ATOM 111 SG CYS A 8 15.887 3.140 -12.426 1.00 44.03 S ATOM 0 H CYS A 8 12.095 0.544 -12.009 1.00 22.42 H new ATOM 0 HA CYS A 8 13.083 3.310 -12.253 1.00 54.30 H new ATOM 0 HB2 CYS A 8 14.683 1.550 -11.080 1.00 51.14 H new ATOM 0 HB3 CYS A 8 14.912 0.959 -12.714 1.00 51.14 H new ATOM 116 N ALA A 9 13.497 2.944 -14.788 1.00 32.41 N ATOM 117 CA ALA A 9 13.332 2.856 -16.234 1.00 3.35 C ATOM 118 C ALA A 9 14.127 1.688 -16.807 1.00 32.32 C ATOM 119 O ALA A 9 13.963 1.325 -17.972 1.00 14.41 O ATOM 120 CB ALA A 9 13.757 4.160 -16.893 1.00 25.11 C ATOM 0 H ALA A 9 14.047 3.743 -14.474 1.00 32.41 H new ATOM 0 HA ALA A 9 12.277 2.681 -16.445 1.00 3.35 H new ATOM 0 HB1 ALA A 9 13.629 4.081 -17.973 1.00 25.11 H new ATOM 0 HB2 ALA A 9 13.143 4.977 -16.514 1.00 25.11 H new ATOM 0 HB3 ALA A 9 14.804 4.358 -16.666 1.00 25.11 H new ATOM 126 N ARG A 10 14.988 1.102 -15.981 1.00 43.34 N ATOM 127 CA ARG A 10 15.810 -0.024 -16.408 1.00 33.35 C ATOM 128 C ARG A 10 15.117 -1.349 -16.101 1.00 51.10 C ATOM 129 O ARG A 10 15.770 -2.380 -15.944 1.00 72.24 O ATOM 130 CB ARG A 10 17.174 0.022 -15.717 1.00 30.30 C ATOM 131 CG ARG A 10 17.852 1.380 -15.798 1.00 62.52 C ATOM 132 CD ARG A 10 18.175 1.756 -17.236 1.00 23.23 C ATOM 133 NE ARG A 10 19.575 2.141 -17.399 1.00 74.55 N ATOM 134 CZ ARG A 10 20.162 2.289 -18.581 1.00 44.34 C ATOM 135 NH1 ARG A 10 19.475 2.087 -19.697 1.00 45.12 N ATOM 136 NH2 ARG A 10 21.440 2.642 -18.649 1.00 31.43 N ATOM 0 H ARG A 10 15.134 1.388 -15.013 1.00 43.34 H new ATOM 0 HA ARG A 10 15.954 0.051 -17.486 1.00 33.35 H new ATOM 0 HB2 ARG A 10 17.050 -0.251 -14.669 1.00 30.30 H new ATOM 0 HB3 ARG A 10 17.825 -0.727 -16.167 1.00 30.30 H new ATOM 0 HG2 ARG A 10 17.204 2.138 -15.359 1.00 62.52 H new ATOM 0 HG3 ARG A 10 18.769 1.366 -15.210 1.00 62.52 H new ATOM 0 HD2 ARG A 10 17.952 0.913 -17.890 1.00 23.23 H new ATOM 0 HD3 ARG A 10 17.533 2.580 -17.548 1.00 23.23 H new ATOM 0 HE ARG A 10 20.131 2.305 -16.560 1.00 74.55 H new ATOM 0 HH11 ARG A 10 18.493 1.817 -19.649 1.00 45.12 H new ATOM 0 HH12 ARG A 10 19.929 2.202 -20.603 1.00 45.12 H new ATOM 0 HH21 ARG A 10 21.972 2.800 -17.793 1.00 31.43 H new ATOM 0 HH22 ARG A 10 21.890 2.755 -19.557 1.00 31.43 H new ATOM 150 N MET A 11 13.791 -1.312 -16.017 1.00 1.45 N ATOM 151 CA MET A 11 13.010 -2.509 -15.729 1.00 62.34 C ATOM 152 C MET A 11 12.490 -3.141 -17.017 1.00 13.52 C ATOM 153 O MET A 11 12.803 -2.681 -18.115 1.00 54.22 O ATOM 154 CB MET A 11 11.840 -2.171 -14.804 1.00 32.10 C ATOM 155 CG MET A 11 12.023 -2.678 -13.383 1.00 34.43 C ATOM 156 SD MET A 11 11.815 -4.465 -13.251 1.00 2.43 S ATOM 157 CE MET A 11 10.128 -4.653 -13.821 1.00 13.41 C ATOM 0 H MET A 11 13.235 -0.466 -16.144 1.00 1.45 H new ATOM 0 HA MET A 11 13.661 -3.226 -15.230 1.00 62.34 H new ATOM 0 HB2 MET A 11 11.707 -1.089 -14.781 1.00 32.10 H new ATOM 0 HB3 MET A 11 10.926 -2.596 -15.218 1.00 32.10 H new ATOM 0 HG2 MET A 11 13.017 -2.405 -13.029 1.00 34.43 H new ATOM 0 HG3 MET A 11 11.305 -2.183 -12.729 1.00 34.43 H new ATOM 0 HE1 MET A 11 9.522 -5.087 -13.026 1.00 13.41 H new ATOM 0 HE2 MET A 11 9.725 -3.678 -14.093 1.00 13.41 H new ATOM 0 HE3 MET A 11 10.109 -5.309 -14.691 1.00 13.41 H new ATOM 167 N ASP A 12 11.695 -4.195 -16.874 1.00 30.41 N ATOM 168 CA ASP A 12 11.131 -4.889 -18.026 1.00 34.13 C ATOM 169 C ASP A 12 10.113 -4.009 -18.745 1.00 63.13 C ATOM 170 O ASP A 12 9.764 -4.262 -19.899 1.00 10.55 O ATOM 171 CB ASP A 12 10.472 -6.198 -17.587 1.00 54.22 C ATOM 172 CG ASP A 12 10.868 -7.368 -18.465 1.00 60.34 C ATOM 173 OD1 ASP A 12 11.821 -8.089 -18.100 1.00 51.42 O ATOM 174 OD2 ASP A 12 10.225 -7.565 -19.517 1.00 51.35 O ATOM 0 H ASP A 12 11.426 -4.588 -15.972 1.00 30.41 H new ATOM 0 HA ASP A 12 11.943 -5.114 -18.717 1.00 34.13 H new ATOM 0 HB2 ASP A 12 10.749 -6.412 -16.555 1.00 54.22 H new ATOM 0 HB3 ASP A 12 9.388 -6.081 -17.609 1.00 54.22 H new ATOM 179 N VAL A 13 9.640 -2.975 -18.056 1.00 64.34 N ATOM 180 CA VAL A 13 8.663 -2.058 -18.629 1.00 41.53 C ATOM 181 C VAL A 13 9.271 -0.677 -18.853 1.00 74.34 C ATOM 182 O VAL A 13 9.056 0.256 -18.079 1.00 64.32 O ATOM 183 CB VAL A 13 7.424 -1.920 -17.724 1.00 62.35 C ATOM 184 CG1 VAL A 13 6.512 -3.128 -17.881 1.00 3.43 C ATOM 185 CG2 VAL A 13 7.842 -1.742 -16.273 1.00 4.12 C ATOM 0 H VAL A 13 9.918 -2.752 -17.100 1.00 64.34 H new ATOM 0 HA VAL A 13 8.359 -2.478 -19.588 1.00 41.53 H new ATOM 0 HB VAL A 13 6.869 -1.033 -18.029 1.00 62.35 H new ATOM 0 HG11 VAL A 13 5.642 -3.014 -17.234 1.00 3.43 H new ATOM 0 HG12 VAL A 13 6.186 -3.205 -18.918 1.00 3.43 H new ATOM 0 HG13 VAL A 13 7.054 -4.032 -17.603 1.00 3.43 H new ATOM 0 HG21 VAL A 13 6.954 -1.646 -15.648 1.00 4.12 H new ATOM 0 HG22 VAL A 13 8.420 -2.609 -15.952 1.00 4.12 H new ATOM 0 HG23 VAL A 13 8.452 -0.844 -16.178 1.00 4.12 H new ATOM 195 N PRO A 14 10.047 -0.542 -19.938 1.00 44.14 N ATOM 196 CA PRO A 14 10.702 0.722 -20.291 1.00 34.31 C ATOM 197 C PRO A 14 9.706 1.781 -20.751 1.00 2.45 C ATOM 198 O PRO A 14 10.066 2.943 -20.941 1.00 44.40 O ATOM 199 CB PRO A 14 11.634 0.330 -21.440 1.00 22.13 C ATOM 200 CG PRO A 14 11.007 -0.880 -22.041 1.00 21.42 C ATOM 201 CD PRO A 14 10.346 -1.612 -20.905 1.00 44.31 C ATOM 0 HA PRO A 14 11.217 1.166 -19.439 1.00 34.31 H new ATOM 0 HB2 PRO A 14 11.722 1.134 -22.170 1.00 22.13 H new ATOM 0 HB3 PRO A 14 12.640 0.116 -21.078 1.00 22.13 H new ATOM 0 HG2 PRO A 14 10.279 -0.604 -22.804 1.00 21.42 H new ATOM 0 HG3 PRO A 14 11.755 -1.507 -22.526 1.00 21.42 H new ATOM 0 HD2 PRO A 14 9.441 -2.125 -21.230 1.00 44.31 H new ATOM 0 HD3 PRO A 14 11.004 -2.368 -20.477 1.00 44.31 H new ATOM 209 N ILE A 15 8.454 1.374 -20.926 1.00 70.54 N ATOM 210 CA ILE A 15 7.407 2.289 -21.362 1.00 51.11 C ATOM 211 C ILE A 15 7.379 3.545 -20.497 1.00 23.50 C ATOM 212 O ILE A 15 7.006 3.496 -19.324 1.00 73.32 O ATOM 213 CB ILE A 15 6.020 1.620 -21.320 1.00 64.22 C ATOM 214 CG1 ILE A 15 6.005 0.373 -22.206 1.00 60.34 C ATOM 215 CG2 ILE A 15 4.945 2.602 -21.760 1.00 33.24 C ATOM 216 CD1 ILE A 15 6.358 0.653 -23.650 1.00 42.03 C ATOM 0 H ILE A 15 8.140 0.416 -20.772 1.00 70.54 H new ATOM 0 HA ILE A 15 7.638 2.564 -22.391 1.00 51.11 H new ATOM 0 HB ILE A 15 5.810 1.317 -20.294 1.00 64.22 H new ATOM 0 HG12 ILE A 15 6.707 -0.357 -21.804 1.00 60.34 H new ATOM 0 HG13 ILE A 15 5.015 -0.081 -22.164 1.00 60.34 H new ATOM 0 HG21 ILE A 15 3.971 2.115 -21.725 1.00 33.24 H new ATOM 0 HG22 ILE A 15 4.944 3.464 -21.092 1.00 33.24 H new ATOM 0 HG23 ILE A 15 5.149 2.933 -22.778 1.00 33.24 H new ATOM 0 HD11 ILE A 15 6.327 -0.276 -24.219 1.00 42.03 H new ATOM 0 HD12 ILE A 15 5.641 1.359 -24.069 1.00 42.03 H new ATOM 0 HD13 ILE A 15 7.360 1.078 -23.704 1.00 42.03 H new ATOM 228 N LEU A 16 7.776 4.669 -21.083 1.00 74.10 N ATOM 229 CA LEU A 16 7.795 5.940 -20.367 1.00 32.54 C ATOM 230 C LEU A 16 8.776 5.892 -19.200 1.00 31.14 C ATOM 231 O LEU A 16 8.393 5.611 -18.064 1.00 4.35 O ATOM 232 CB LEU A 16 6.394 6.281 -19.856 1.00 72.02 C ATOM 233 CG LEU A 16 5.632 7.345 -20.648 1.00 32.54 C ATOM 234 CD1 LEU A 16 4.363 6.758 -21.246 1.00 34.35 C ATOM 235 CD2 LEU A 16 5.304 8.537 -19.760 1.00 71.45 C ATOM 0 H LEU A 16 8.089 4.726 -22.052 1.00 74.10 H new ATOM 0 HA LEU A 16 8.121 6.715 -21.061 1.00 32.54 H new ATOM 0 HB2 LEU A 16 5.800 5.367 -19.848 1.00 72.02 H new ATOM 0 HB3 LEU A 16 6.478 6.616 -18.822 1.00 72.02 H new ATOM 0 HG LEU A 16 6.268 7.689 -21.464 1.00 32.54 H new ATOM 0 HD11 LEU A 16 3.834 7.529 -21.806 1.00 34.35 H new ATOM 0 HD12 LEU A 16 4.622 5.937 -21.915 1.00 34.35 H new ATOM 0 HD13 LEU A 16 3.722 6.386 -20.446 1.00 34.35 H new ATOM 0 HD21 LEU A 16 4.762 9.284 -20.340 1.00 71.45 H new ATOM 0 HD22 LEU A 16 4.687 8.209 -18.924 1.00 71.45 H new ATOM 0 HD23 LEU A 16 6.228 8.973 -19.380 1.00 71.45 H new ATOM 247 N LYS A 17 10.043 6.170 -19.487 1.00 70.01 N ATOM 248 CA LYS A 17 11.080 6.163 -18.462 1.00 71.20 C ATOM 249 C LYS A 17 10.731 7.122 -17.329 1.00 4.42 C ATOM 250 O LYS A 17 10.967 6.827 -16.157 1.00 0.52 O ATOM 251 CB LYS A 17 12.431 6.545 -19.071 1.00 53.32 C ATOM 252 CG LYS A 17 13.117 5.401 -19.797 1.00 32.34 C ATOM 253 CD LYS A 17 12.692 5.330 -21.254 1.00 25.11 C ATOM 254 CE LYS A 17 13.281 4.111 -21.947 1.00 45.03 C ATOM 255 NZ LYS A 17 13.950 4.471 -23.228 1.00 62.24 N ATOM 0 H LYS A 17 10.377 6.403 -20.422 1.00 70.01 H new ATOM 0 HA LYS A 17 11.145 5.155 -18.053 1.00 71.20 H new ATOM 0 HB2 LYS A 17 12.285 7.371 -19.767 1.00 53.32 H new ATOM 0 HB3 LYS A 17 13.087 6.907 -18.280 1.00 53.32 H new ATOM 0 HG2 LYS A 17 14.198 5.528 -19.738 1.00 32.34 H new ATOM 0 HG3 LYS A 17 12.879 4.460 -19.301 1.00 32.34 H new ATOM 0 HD2 LYS A 17 11.604 5.295 -21.316 1.00 25.11 H new ATOM 0 HD3 LYS A 17 13.012 6.234 -21.772 1.00 25.11 H new ATOM 0 HE2 LYS A 17 14.000 3.629 -21.285 1.00 45.03 H new ATOM 0 HE3 LYS A 17 12.490 3.386 -22.141 1.00 45.03 H new ATOM 0 HZ1 LYS A 17 14.338 3.613 -23.670 1.00 62.24 H new ATOM 0 HZ2 LYS A 17 13.258 4.908 -23.870 1.00 62.24 H new ATOM 0 HZ3 LYS A 17 14.721 5.143 -23.040 1.00 62.24 H new ATOM 269 N LYS A 18 10.168 8.272 -17.685 1.00 74.41 N ATOM 270 CA LYS A 18 9.783 9.274 -16.699 1.00 4.25 C ATOM 271 C LYS A 18 8.844 8.679 -15.655 1.00 73.41 C ATOM 272 O LYS A 18 8.915 9.020 -14.475 1.00 50.20 O ATOM 273 CB LYS A 18 9.111 10.464 -17.386 1.00 54.41 C ATOM 274 CG LYS A 18 9.496 11.808 -16.791 1.00 71.22 C ATOM 275 CD LYS A 18 9.067 12.958 -17.687 1.00 65.12 C ATOM 276 CE LYS A 18 9.273 14.302 -17.005 1.00 71.14 C ATOM 277 NZ LYS A 18 9.843 15.315 -17.937 1.00 30.35 N ATOM 0 H LYS A 18 9.968 8.533 -18.651 1.00 74.41 H new ATOM 0 HA LYS A 18 10.687 9.616 -16.195 1.00 4.25 H new ATOM 0 HB2 LYS A 18 9.372 10.457 -18.444 1.00 54.41 H new ATOM 0 HB3 LYS A 18 8.029 10.345 -17.324 1.00 54.41 H new ATOM 0 HG2 LYS A 18 9.034 11.918 -15.810 1.00 71.22 H new ATOM 0 HG3 LYS A 18 10.575 11.845 -16.641 1.00 71.22 H new ATOM 0 HD2 LYS A 18 9.636 12.929 -18.616 1.00 65.12 H new ATOM 0 HD3 LYS A 18 8.017 12.841 -17.953 1.00 65.12 H new ATOM 0 HE2 LYS A 18 8.320 14.662 -16.616 1.00 71.14 H new ATOM 0 HE3 LYS A 18 9.940 14.178 -16.152 1.00 71.14 H new ATOM 0 HZ1 LYS A 18 9.968 16.217 -17.435 1.00 30.35 H new ATOM 0 HZ2 LYS A 18 10.764 14.984 -18.289 1.00 30.35 H new ATOM 0 HZ3 LYS A 18 9.195 15.452 -18.739 1.00 30.35 H new ATOM 291 N ALA A 19 7.965 7.786 -16.098 1.00 33.40 N ATOM 292 CA ALA A 19 7.014 7.140 -15.202 1.00 14.25 C ATOM 293 C ALA A 19 7.733 6.307 -14.146 1.00 73.22 C ATOM 294 O ALA A 19 7.370 6.331 -12.970 1.00 65.53 O ATOM 295 CB ALA A 19 6.047 6.272 -15.994 1.00 10.43 C ATOM 0 H ALA A 19 7.892 7.493 -17.072 1.00 33.40 H new ATOM 0 HA ALA A 19 6.449 7.919 -14.690 1.00 14.25 H new ATOM 0 HB1 ALA A 19 5.343 5.796 -15.312 1.00 10.43 H new ATOM 0 HB2 ALA A 19 5.501 6.892 -16.705 1.00 10.43 H new ATOM 0 HB3 ALA A 19 6.604 5.506 -16.533 1.00 10.43 H new ATOM 301 N ALA A 20 8.753 5.570 -14.574 1.00 54.24 N ATOM 302 CA ALA A 20 9.523 4.730 -13.666 1.00 10.43 C ATOM 303 C ALA A 20 10.180 5.565 -12.571 1.00 61.53 C ATOM 304 O ALA A 20 10.127 5.211 -11.394 1.00 2.23 O ATOM 305 CB ALA A 20 10.574 3.945 -14.436 1.00 71.21 C ATOM 0 H ALA A 20 9.065 5.538 -15.545 1.00 54.24 H new ATOM 0 HA ALA A 20 8.838 4.028 -13.190 1.00 10.43 H new ATOM 0 HB1 ALA A 20 11.142 3.322 -13.745 1.00 71.21 H new ATOM 0 HB2 ALA A 20 10.085 3.313 -15.177 1.00 71.21 H new ATOM 0 HB3 ALA A 20 11.249 4.637 -14.939 1.00 71.21 H new ATOM 311 N GLN A 21 10.799 6.672 -12.969 1.00 21.43 N ATOM 312 CA GLN A 21 11.468 7.555 -12.020 1.00 72.44 C ATOM 313 C GLN A 21 10.473 8.132 -11.019 1.00 55.35 C ATOM 314 O GLN A 21 10.820 8.410 -9.873 1.00 24.35 O ATOM 315 CB GLN A 21 12.180 8.688 -12.761 1.00 70.32 C ATOM 316 CG GLN A 21 13.684 8.496 -12.864 1.00 65.02 C ATOM 317 CD GLN A 21 14.319 9.402 -13.901 1.00 74.22 C ATOM 318 OE1 GLN A 21 14.286 9.113 -15.098 1.00 11.12 O ATOM 319 NE2 GLN A 21 14.901 10.506 -13.447 1.00 35.40 N ATOM 0 H GLN A 21 10.851 6.979 -13.940 1.00 21.43 H new ATOM 0 HA GLN A 21 12.206 6.968 -11.473 1.00 72.44 H new ATOM 0 HB2 GLN A 21 11.763 8.773 -13.765 1.00 70.32 H new ATOM 0 HB3 GLN A 21 11.976 9.629 -12.251 1.00 70.32 H new ATOM 0 HG2 GLN A 21 14.138 8.688 -11.892 1.00 65.02 H new ATOM 0 HG3 GLN A 21 13.897 7.457 -13.115 1.00 65.02 H new ATOM 0 HE21 GLN A 21 14.905 10.706 -12.447 1.00 35.40 H new ATOM 0 HE22 GLN A 21 15.344 11.154 -14.098 1.00 35.40 H new ATOM 328 N GLY A 22 9.232 8.312 -11.462 1.00 74.53 N ATOM 329 CA GLY A 22 8.205 8.856 -10.593 1.00 21.23 C ATOM 330 C GLY A 22 8.048 8.060 -9.312 1.00 44.30 C ATOM 331 O GLY A 22 7.665 8.606 -8.276 1.00 60.23 O ATOM 0 H GLY A 22 8.920 8.091 -12.407 1.00 74.53 H new ATOM 0 HA2 GLY A 22 8.451 9.889 -10.347 1.00 21.23 H new ATOM 0 HA3 GLY A 22 7.254 8.873 -11.126 1.00 21.23 H new ATOM 335 N LEU A 23 8.344 6.767 -9.381 1.00 73.12 N ATOM 336 CA LEU A 23 8.232 5.893 -8.218 1.00 41.51 C ATOM 337 C LEU A 23 9.357 6.164 -7.224 1.00 63.53 C ATOM 338 O LEU A 23 9.469 5.491 -6.199 1.00 1.12 O ATOM 339 CB LEU A 23 8.261 4.427 -8.652 1.00 72.03 C ATOM 340 CG LEU A 23 7.020 3.920 -9.388 1.00 12.30 C ATOM 341 CD1 LEU A 23 7.392 3.404 -10.769 1.00 72.50 C ATOM 342 CD2 LEU A 23 6.327 2.834 -8.579 1.00 34.12 C ATOM 0 H LEU A 23 8.663 6.300 -10.230 1.00 73.12 H new ATOM 0 HA LEU A 23 7.281 6.101 -7.728 1.00 41.51 H new ATOM 0 HB2 LEU A 23 9.127 4.277 -9.296 1.00 72.03 H new ATOM 0 HB3 LEU A 23 8.411 3.810 -7.766 1.00 72.03 H new ATOM 0 HG LEU A 23 6.327 4.753 -9.509 1.00 12.30 H new ATOM 0 HD11 LEU A 23 6.496 3.047 -11.278 1.00 72.50 H new ATOM 0 HD12 LEU A 23 7.842 4.209 -11.349 1.00 72.50 H new ATOM 0 HD13 LEU A 23 8.104 2.585 -10.672 1.00 72.50 H new ATOM 0 HD21 LEU A 23 5.446 2.485 -9.118 1.00 34.12 H new ATOM 0 HD22 LEU A 23 7.013 2.001 -8.426 1.00 34.12 H new ATOM 0 HD23 LEU A 23 6.025 3.237 -7.612 1.00 34.12 H new ATOM 354 N CYS A 24 10.188 7.153 -7.534 1.00 0.43 N ATOM 355 CA CYS A 24 11.304 7.515 -6.668 1.00 31.31 C ATOM 356 C CYS A 24 11.188 8.965 -6.209 1.00 4.44 C ATOM 357 O CYS A 24 11.247 9.255 -5.013 1.00 51.02 O ATOM 358 CB CYS A 24 12.632 7.304 -7.398 1.00 30.44 C ATOM 359 SG CYS A 24 13.746 6.113 -6.585 1.00 10.45 S ATOM 0 H CYS A 24 10.110 7.719 -8.379 1.00 0.43 H new ATOM 0 HA CYS A 24 11.274 6.871 -5.789 1.00 31.31 H new ATOM 0 HB2 CYS A 24 12.427 6.960 -8.412 1.00 30.44 H new ATOM 0 HB3 CYS A 24 13.143 8.263 -7.485 1.00 30.44 H new ATOM 364 N ILE A 25 11.024 9.872 -7.166 1.00 71.10 N ATOM 365 CA ILE A 25 10.899 11.291 -6.860 1.00 13.51 C ATOM 366 C ILE A 25 9.608 11.578 -6.100 1.00 41.31 C ATOM 367 O ILE A 25 9.613 12.279 -5.087 1.00 73.41 O ATOM 368 CB ILE A 25 10.929 12.148 -8.139 1.00 42.14 C ATOM 369 CG1 ILE A 25 12.234 11.915 -8.904 1.00 52.42 C ATOM 370 CG2 ILE A 25 10.766 13.621 -7.795 1.00 25.04 C ATOM 371 CD1 ILE A 25 12.108 10.902 -10.020 1.00 75.00 C ATOM 0 H ILE A 25 10.975 9.649 -8.160 1.00 71.10 H new ATOM 0 HA ILE A 25 11.752 11.555 -6.235 1.00 13.51 H new ATOM 0 HB ILE A 25 10.097 11.851 -8.777 1.00 42.14 H new ATOM 0 HG12 ILE A 25 12.575 12.862 -9.321 1.00 52.42 H new ATOM 0 HG13 ILE A 25 13.000 11.580 -8.205 1.00 52.42 H new ATOM 0 HG21 ILE A 25 10.789 14.213 -8.710 1.00 25.04 H new ATOM 0 HG22 ILE A 25 9.813 13.773 -7.289 1.00 25.04 H new ATOM 0 HG23 ILE A 25 11.579 13.934 -7.140 1.00 25.04 H new ATOM 0 HD11 ILE A 25 13.071 10.788 -10.518 1.00 75.00 H new ATOM 0 HD12 ILE A 25 11.797 9.942 -9.607 1.00 75.00 H new ATOM 0 HD13 ILE A 25 11.365 11.245 -10.740 1.00 75.00 H new ATOM 383 N THR A 26 8.502 11.031 -6.595 1.00 22.31 N ATOM 384 CA THR A 26 7.204 11.227 -5.963 1.00 74.40 C ATOM 385 C THR A 26 7.065 10.366 -4.713 1.00 20.43 C ATOM 386 O THR A 26 6.481 10.791 -3.716 1.00 73.13 O ATOM 387 CB THR A 26 6.052 10.895 -6.931 1.00 42.10 C ATOM 388 OG1 THR A 26 5.350 12.092 -7.286 1.00 25.13 O ATOM 389 CG2 THR A 26 5.086 9.902 -6.303 1.00 0.12 C ATOM 0 H THR A 26 8.480 10.449 -7.432 1.00 22.31 H new ATOM 0 HA THR A 26 7.144 12.279 -5.685 1.00 74.40 H new ATOM 0 HB THR A 26 6.479 10.445 -7.827 1.00 42.10 H new ATOM 0 HG1 THR A 26 4.621 11.873 -7.903 1.00 25.13 H new ATOM 0 HG21 THR A 26 4.282 9.683 -7.005 1.00 0.12 H new ATOM 0 HG22 THR A 26 5.617 8.981 -6.061 1.00 0.12 H new ATOM 0 HG23 THR A 26 4.666 10.329 -5.392 1.00 0.12 H new ATOM 397 N SER A 27 7.607 9.153 -4.772 1.00 14.23 N ATOM 398 CA SER A 27 7.540 8.231 -3.644 1.00 64.22 C ATOM 399 C SER A 27 8.233 8.820 -2.419 1.00 33.10 C ATOM 400 O SER A 27 7.853 8.539 -1.282 1.00 1.03 O ATOM 401 CB SER A 27 8.184 6.893 -4.014 1.00 3.10 C ATOM 402 OG SER A 27 7.615 5.830 -3.270 1.00 13.01 O ATOM 0 H SER A 27 8.097 8.786 -5.588 1.00 14.23 H new ATOM 0 HA SER A 27 6.490 8.067 -3.402 1.00 64.22 H new ATOM 0 HB2 SER A 27 8.054 6.706 -5.080 1.00 3.10 H new ATOM 0 HB3 SER A 27 9.257 6.938 -3.827 1.00 3.10 H new ATOM 0 HG SER A 27 7.356 5.107 -3.878 1.00 13.01 H new ATOM 408 N CYS A 28 9.251 9.639 -2.659 1.00 62.14 N ATOM 409 CA CYS A 28 9.999 10.269 -1.578 1.00 34.44 C ATOM 410 C CYS A 28 9.172 11.365 -0.912 1.00 1.02 C ATOM 411 O CYS A 28 9.152 11.485 0.313 1.00 24.31 O ATOM 412 CB CYS A 28 11.309 10.853 -2.108 1.00 40.41 C ATOM 413 SG CYS A 28 12.795 10.258 -1.238 1.00 52.41 S ATOM 0 H CYS A 28 9.577 9.882 -3.594 1.00 62.14 H new ATOM 0 HA CYS A 28 10.226 9.506 -0.833 1.00 34.44 H new ATOM 0 HB2 CYS A 28 11.400 10.611 -3.167 1.00 40.41 H new ATOM 0 HB3 CYS A 28 11.267 11.940 -2.032 1.00 40.41 H new ATOM 418 N SER A 29 8.491 12.163 -1.728 1.00 32.11 N ATOM 419 CA SER A 29 7.665 13.252 -1.219 1.00 62.11 C ATOM 420 C SER A 29 6.634 12.732 -0.223 1.00 34.44 C ATOM 421 O SER A 29 6.258 13.429 0.719 1.00 22.34 O ATOM 422 CB SER A 29 6.961 13.968 -2.373 1.00 35.11 C ATOM 423 OG SER A 29 6.749 15.336 -2.071 1.00 11.13 O ATOM 0 H SER A 29 8.495 12.076 -2.744 1.00 32.11 H new ATOM 0 HA SER A 29 8.316 13.959 -0.705 1.00 62.11 H new ATOM 0 HB2 SER A 29 7.561 13.881 -3.279 1.00 35.11 H new ATOM 0 HB3 SER A 29 6.005 13.485 -2.576 1.00 35.11 H new ATOM 0 HG SER A 29 6.299 15.772 -2.825 1.00 11.13 H new ATOM 429 N MET A 30 6.180 11.501 -0.439 1.00 14.33 N ATOM 430 CA MET A 30 5.192 10.886 0.441 1.00 42.24 C ATOM 431 C MET A 30 5.816 10.512 1.781 1.00 23.41 C ATOM 432 O MET A 30 5.109 10.269 2.758 1.00 11.24 O ATOM 433 CB MET A 30 4.592 9.644 -0.221 1.00 24.12 C ATOM 434 CG MET A 30 4.314 9.820 -1.705 1.00 0.12 C ATOM 435 SD MET A 30 2.706 9.166 -2.192 1.00 52.52 S ATOM 436 CE MET A 30 3.160 7.523 -2.739 1.00 62.43 C ATOM 0 H MET A 30 6.480 10.911 -1.215 1.00 14.33 H new ATOM 0 HA MET A 30 4.399 11.612 0.620 1.00 42.24 H new ATOM 0 HB2 MET A 30 5.274 8.805 -0.085 1.00 24.12 H new ATOM 0 HB3 MET A 30 3.662 9.385 0.286 1.00 24.12 H new ATOM 0 HG2 MET A 30 4.362 10.879 -1.957 1.00 0.12 H new ATOM 0 HG3 MET A 30 5.094 9.320 -2.279 1.00 0.12 H new ATOM 0 HE1 MET A 30 2.269 6.991 -3.072 1.00 62.43 H new ATOM 0 HE2 MET A 30 3.868 7.597 -3.564 1.00 62.43 H new ATOM 0 HE3 MET A 30 3.620 6.979 -1.914 1.00 62.43 H new ATOM 446 N GLN A 31 7.144 10.466 1.819 1.00 41.15 N ATOM 447 CA GLN A 31 7.862 10.120 3.039 1.00 20.25 C ATOM 448 C GLN A 31 8.528 11.350 3.647 1.00 41.01 C ATOM 449 O GLN A 31 9.453 11.234 4.450 1.00 41.24 O ATOM 450 CB GLN A 31 8.913 9.046 2.751 1.00 11.33 C ATOM 451 CG GLN A 31 8.594 8.194 1.533 1.00 1.33 C ATOM 452 CD GLN A 31 9.117 6.777 1.659 1.00 5.12 C ATOM 453 OE1 GLN A 31 10.185 6.449 1.141 1.00 4.22 O ATOM 454 NE2 GLN A 31 8.366 5.928 2.350 1.00 25.42 N ATOM 0 H GLN A 31 7.744 10.664 1.018 1.00 41.15 H new ATOM 0 HA GLN A 31 7.140 9.729 3.756 1.00 20.25 H new ATOM 0 HB2 GLN A 31 9.881 9.526 2.605 1.00 11.33 H new ATOM 0 HB3 GLN A 31 9.007 8.398 3.623 1.00 11.33 H new ATOM 0 HG2 GLN A 31 7.514 8.167 1.386 1.00 1.33 H new ATOM 0 HG3 GLN A 31 9.025 8.659 0.646 1.00 1.33 H new ATOM 0 HE21 GLN A 31 7.488 6.243 2.762 1.00 25.42 H new ATOM 0 HE22 GLN A 31 8.667 4.961 2.469 1.00 25.42 H new ATOM 463 N ASN A 32 8.051 12.528 3.258 1.00 62.05 N ATOM 464 CA ASN A 32 8.602 13.780 3.763 1.00 14.33 C ATOM 465 C ASN A 32 10.047 13.962 3.310 1.00 20.41 C ATOM 466 O ASN A 32 10.897 14.419 4.075 1.00 35.14 O ATOM 467 CB ASN A 32 8.526 13.814 5.291 1.00 2.51 C ATOM 468 CG ASN A 32 7.207 13.282 5.817 1.00 62.01 C ATOM 469 OD1 ASN A 32 7.170 12.278 6.529 1.00 52.41 O ATOM 470 ND2 ASN A 32 6.116 13.954 5.467 1.00 24.21 N ATOM 0 H ASN A 32 7.284 12.642 2.595 1.00 62.05 H new ATOM 0 HA ASN A 32 8.008 14.599 3.357 1.00 14.33 H new ATOM 0 HB2 ASN A 32 9.344 13.224 5.706 1.00 2.51 H new ATOM 0 HB3 ASN A 32 8.665 14.839 5.636 1.00 2.51 H new ATOM 0 HD21 ASN A 32 5.200 13.643 5.790 1.00 24.21 H new ATOM 0 HD22 ASN A 32 6.194 14.781 4.875 1.00 24.21 H new ATOM 477 N CYS A 33 10.319 13.601 2.061 1.00 63.44 N ATOM 478 CA CYS A 33 11.661 13.723 1.504 1.00 61.11 C ATOM 479 C CYS A 33 11.723 14.848 0.475 1.00 55.20 C ATOM 480 O CYS A 33 10.756 15.585 0.287 1.00 13.41 O ATOM 481 CB CYS A 33 12.091 12.404 0.859 1.00 34.52 C ATOM 482 SG CYS A 33 12.354 11.047 2.046 1.00 11.03 S ATOM 0 H CYS A 33 9.627 13.221 1.415 1.00 63.44 H new ATOM 0 HA CYS A 33 12.344 13.961 2.319 1.00 61.11 H new ATOM 0 HB2 CYS A 33 11.332 12.100 0.138 1.00 34.52 H new ATOM 0 HB3 CYS A 33 13.013 12.568 0.301 1.00 34.52 H new ATOM 487 N GLY A 34 12.868 14.973 -0.189 1.00 54.44 N ATOM 488 CA GLY A 34 13.034 16.010 -1.191 1.00 5.31 C ATOM 489 C GLY A 34 13.021 15.460 -2.603 1.00 62.22 C ATOM 490 O GLY A 34 12.203 15.866 -3.429 1.00 34.41 O ATOM 0 H GLY A 34 13.683 14.375 -0.051 1.00 54.44 H new ATOM 0 HA2 GLY A 34 12.237 16.745 -1.084 1.00 5.31 H new ATOM 0 HA3 GLY A 34 13.975 16.532 -1.017 1.00 5.31 H new ATOM 494 N THR A 35 13.932 14.533 -2.884 1.00 60.11 N ATOM 495 CA THR A 35 14.024 13.928 -4.207 1.00 21.12 C ATOM 496 C THR A 35 14.444 12.466 -4.114 1.00 64.55 C ATOM 497 O THR A 35 14.649 11.936 -3.023 1.00 41.00 O ATOM 498 CB THR A 35 15.026 14.683 -5.101 1.00 74.43 C ATOM 499 OG1 THR A 35 14.872 14.271 -6.464 1.00 61.11 O ATOM 500 CG2 THR A 35 16.455 14.428 -4.647 1.00 40.23 C ATOM 0 H THR A 35 14.617 14.185 -2.213 1.00 60.11 H new ATOM 0 HA THR A 35 13.032 13.990 -4.654 1.00 21.12 H new ATOM 0 HB THR A 35 14.821 15.750 -5.019 1.00 74.43 H new ATOM 0 HG1 THR A 35 15.511 14.756 -7.027 1.00 61.11 H new ATOM 0 HG21 THR A 35 17.144 14.971 -5.293 1.00 40.23 H new ATOM 0 HG22 THR A 35 16.576 14.769 -3.619 1.00 40.23 H new ATOM 0 HG23 THR A 35 16.670 13.361 -4.703 1.00 40.23 H new ATOM 508 N GLY A 36 14.572 11.817 -5.268 1.00 41.13 N ATOM 509 CA GLY A 36 14.968 10.421 -5.295 1.00 3.21 C ATOM 510 C GLY A 36 15.303 9.940 -6.693 1.00 33.02 C ATOM 511 O GLY A 36 14.515 10.116 -7.622 1.00 42.23 O ATOM 0 H GLY A 36 14.408 12.234 -6.185 1.00 41.13 H new ATOM 0 HA2 GLY A 36 15.834 10.280 -4.648 1.00 3.21 H new ATOM 0 HA3 GLY A 36 14.163 9.810 -4.887 1.00 3.21 H new ATOM 515 N SER A 37 16.475 9.332 -6.843 1.00 60.20 N ATOM 516 CA SER A 37 16.915 8.829 -8.139 1.00 74.41 C ATOM 517 C SER A 37 17.126 7.318 -8.092 1.00 41.42 C ATOM 518 O SER A 37 17.549 6.770 -7.074 1.00 45.21 O ATOM 519 CB SER A 37 18.209 9.523 -8.567 1.00 53.14 C ATOM 520 OG SER A 37 18.231 9.742 -9.967 1.00 70.23 O ATOM 0 H SER A 37 17.137 9.176 -6.083 1.00 60.20 H new ATOM 0 HA SER A 37 16.136 9.047 -8.869 1.00 74.41 H new ATOM 0 HB2 SER A 37 18.304 10.475 -8.045 1.00 53.14 H new ATOM 0 HB3 SER A 37 19.065 8.914 -8.278 1.00 53.14 H new ATOM 0 HG SER A 37 19.067 10.188 -10.215 1.00 70.23 H new ATOM 526 N CYS A 38 16.828 6.651 -9.202 1.00 30.11 N ATOM 527 CA CYS A 38 16.984 5.204 -9.290 1.00 0.12 C ATOM 528 C CYS A 38 18.098 4.835 -10.266 1.00 13.42 C ATOM 529 O CYS A 38 18.265 5.474 -11.305 1.00 74.11 O ATOM 530 CB CYS A 38 15.670 4.554 -9.729 1.00 3.22 C ATOM 531 SG CYS A 38 15.251 4.834 -11.479 1.00 50.04 S ATOM 0 H CYS A 38 16.477 7.090 -10.053 1.00 30.11 H new ATOM 0 HA CYS A 38 17.253 4.832 -8.301 1.00 0.12 H new ATOM 0 HB2 CYS A 38 15.730 3.481 -9.548 1.00 3.22 H new ATOM 0 HB3 CYS A 38 14.861 4.938 -9.107 1.00 3.22 H new ATOM 536 N LYS A 39 18.858 3.800 -9.924 1.00 14.41 N ATOM 537 CA LYS A 39 19.955 3.344 -10.769 1.00 33.01 C ATOM 538 C LYS A 39 20.103 1.828 -10.696 1.00 72.44 C ATOM 539 O LYS A 39 19.846 1.217 -9.658 1.00 43.14 O ATOM 540 CB LYS A 39 21.264 4.016 -10.347 1.00 73.44 C ATOM 541 CG LYS A 39 21.140 5.516 -10.144 1.00 34.30 C ATOM 542 CD LYS A 39 22.436 6.118 -9.629 1.00 63.32 C ATOM 543 CE LYS A 39 22.486 7.620 -9.865 1.00 33.53 C ATOM 544 NZ LYS A 39 23.833 8.066 -10.314 1.00 42.42 N ATOM 0 H LYS A 39 18.734 3.261 -9.067 1.00 14.41 H new ATOM 0 HA LYS A 39 19.727 3.620 -11.799 1.00 33.01 H new ATOM 0 HB2 LYS A 39 21.614 3.560 -9.421 1.00 73.44 H new ATOM 0 HB3 LYS A 39 22.023 3.822 -11.105 1.00 73.44 H new ATOM 0 HG2 LYS A 39 20.867 5.990 -11.087 1.00 34.30 H new ATOM 0 HG3 LYS A 39 20.336 5.723 -9.438 1.00 34.30 H new ATOM 0 HD2 LYS A 39 22.535 5.913 -8.563 1.00 63.32 H new ATOM 0 HD3 LYS A 39 23.282 5.642 -10.125 1.00 63.32 H new ATOM 0 HE2 LYS A 39 21.744 7.895 -10.615 1.00 33.53 H new ATOM 0 HE3 LYS A 39 22.219 8.141 -8.946 1.00 33.53 H new ATOM 0 HZ1 LYS A 39 23.826 9.095 -10.464 1.00 42.42 H new ATOM 0 HZ2 LYS A 39 24.538 7.827 -9.588 1.00 42.42 H new ATOM 0 HZ3 LYS A 39 24.078 7.588 -11.205 1.00 42.42 H new ATOM 558 N LYS A 40 20.519 1.225 -11.805 1.00 25.33 N ATOM 559 CA LYS A 40 20.705 -0.220 -11.867 1.00 31.21 C ATOM 560 C LYS A 40 21.857 -0.660 -10.969 1.00 71.00 C ATOM 561 O LYS A 40 23.018 -0.353 -11.238 1.00 42.23 O ATOM 562 CB LYS A 40 20.972 -0.659 -13.308 1.00 75.25 C ATOM 563 CG LYS A 40 19.749 -1.229 -14.007 1.00 20.54 C ATOM 564 CD LYS A 40 19.358 -2.580 -13.431 1.00 71.43 C ATOM 565 CE LYS A 40 18.514 -3.381 -14.412 1.00 5.30 C ATOM 566 NZ LYS A 40 19.320 -3.873 -15.563 1.00 63.04 N ATOM 0 H LYS A 40 20.734 1.715 -12.673 1.00 25.33 H new ATOM 0 HA LYS A 40 19.790 -0.694 -11.512 1.00 31.21 H new ATOM 0 HB2 LYS A 40 21.340 0.195 -13.877 1.00 75.25 H new ATOM 0 HB3 LYS A 40 21.763 -1.408 -13.310 1.00 75.25 H new ATOM 0 HG2 LYS A 40 18.915 -0.534 -13.907 1.00 20.54 H new ATOM 0 HG3 LYS A 40 19.953 -1.332 -15.073 1.00 20.54 H new ATOM 0 HD2 LYS A 40 20.257 -3.143 -13.178 1.00 71.43 H new ATOM 0 HD3 LYS A 40 18.802 -2.435 -12.505 1.00 71.43 H new ATOM 0 HE2 LYS A 40 18.063 -4.228 -13.896 1.00 5.30 H new ATOM 0 HE3 LYS A 40 17.697 -2.760 -14.780 1.00 5.30 H new ATOM 0 HZ1 LYS A 40 18.812 -4.647 -16.037 1.00 63.04 H new ATOM 0 HZ2 LYS A 40 19.474 -3.096 -16.237 1.00 63.04 H new ATOM 0 HZ3 LYS A 40 20.238 -4.221 -15.220 1.00 63.04 H new ATOM 580 N ARG A 41 21.528 -1.382 -9.903 1.00 13.44 N ATOM 581 CA ARG A 41 22.535 -1.864 -8.966 1.00 3.23 C ATOM 582 C ARG A 41 22.869 -3.329 -9.233 1.00 3.52 C ATOM 583 O ARG A 41 22.084 -4.222 -8.917 1.00 21.23 O ATOM 584 CB ARG A 41 22.046 -1.695 -7.526 1.00 70.52 C ATOM 585 CG ARG A 41 21.825 -0.247 -7.124 1.00 13.44 C ATOM 586 CD ARG A 41 23.128 0.536 -7.122 1.00 3.41 C ATOM 587 NE ARG A 41 24.065 0.037 -6.119 1.00 65.13 N ATOM 588 CZ ARG A 41 23.908 0.216 -4.813 1.00 4.44 C ATOM 589 NH1 ARG A 41 22.856 0.880 -4.353 1.00 24.52 N ATOM 590 NH2 ARG A 41 24.805 -0.268 -3.963 1.00 33.44 N ATOM 0 H ARG A 41 20.572 -1.646 -9.667 1.00 13.44 H new ATOM 0 HA ARG A 41 23.439 -1.272 -9.107 1.00 3.23 H new ATOM 0 HB2 ARG A 41 21.113 -2.244 -7.401 1.00 70.52 H new ATOM 0 HB3 ARG A 41 22.773 -2.144 -6.849 1.00 70.52 H new ATOM 0 HG2 ARG A 41 21.120 0.219 -7.812 1.00 13.44 H new ATOM 0 HG3 ARG A 41 21.375 -0.208 -6.132 1.00 13.44 H new ATOM 0 HD2 ARG A 41 23.588 0.477 -8.109 1.00 3.41 H new ATOM 0 HD3 ARG A 41 22.918 1.588 -6.930 1.00 3.41 H new ATOM 0 HE ARG A 41 24.885 -0.477 -6.440 1.00 65.13 H new ATOM 0 HH11 ARG A 41 22.165 1.255 -5.003 1.00 24.52 H new ATOM 0 HH12 ARG A 41 22.738 1.016 -3.349 1.00 24.52 H new ATOM 0 HH21 ARG A 41 25.616 -0.778 -4.313 1.00 33.44 H new ATOM 0 HH22 ARG A 41 24.683 -0.130 -2.960 1.00 33.44 H new ATOM 604 N SER A 42 24.039 -3.566 -9.817 1.00 63.41 N ATOM 605 CA SER A 42 24.475 -4.922 -10.131 1.00 5.02 C ATOM 606 C SER A 42 23.485 -5.609 -11.066 1.00 51.42 C ATOM 607 O SER A 42 23.325 -6.828 -11.033 1.00 24.10 O ATOM 608 CB SER A 42 24.633 -5.740 -8.847 1.00 41.53 C ATOM 609 OG SER A 42 25.875 -6.421 -8.826 1.00 62.33 O ATOM 0 H SER A 42 24.702 -2.837 -10.082 1.00 63.41 H new ATOM 0 HA SER A 42 25.440 -4.859 -10.635 1.00 5.02 H new ATOM 0 HB2 SER A 42 24.561 -5.081 -7.981 1.00 41.53 H new ATOM 0 HB3 SER A 42 23.818 -6.460 -8.768 1.00 41.53 H new ATOM 0 HG SER A 42 25.952 -6.935 -7.995 1.00 62.33 H new ATOM 615 N GLY A 43 22.821 -4.815 -11.901 1.00 13.21 N ATOM 616 CA GLY A 43 21.854 -5.363 -12.834 1.00 54.51 C ATOM 617 C GLY A 43 20.472 -5.496 -12.225 1.00 52.44 C ATOM 618 O GLY A 43 19.613 -6.193 -12.766 1.00 12.33 O ATOM 0 H GLY A 43 22.936 -3.803 -11.948 1.00 13.21 H new ATOM 0 HA2 GLY A 43 21.800 -4.723 -13.714 1.00 54.51 H new ATOM 0 HA3 GLY A 43 22.194 -6.342 -13.172 1.00 54.51 H new ATOM 622 N ARG A 44 20.257 -4.827 -11.097 1.00 71.01 N ATOM 623 CA ARG A 44 18.970 -4.876 -10.413 1.00 25.30 C ATOM 624 C ARG A 44 18.359 -3.483 -10.304 1.00 1.53 C ATOM 625 O ARG A 44 19.025 -2.513 -9.940 1.00 15.33 O ATOM 626 CB ARG A 44 19.133 -5.484 -9.019 1.00 23.24 C ATOM 627 CG ARG A 44 19.559 -6.943 -9.036 1.00 71.22 C ATOM 628 CD ARG A 44 18.441 -7.843 -9.539 1.00 64.55 C ATOM 629 NE ARG A 44 18.407 -9.121 -8.832 1.00 40.31 N ATOM 630 CZ ARG A 44 17.854 -9.284 -7.636 1.00 15.54 C ATOM 631 NH1 ARG A 44 17.291 -8.255 -7.016 1.00 73.14 N ATOM 632 NH2 ARG A 44 17.862 -10.477 -7.056 1.00 71.22 N ATOM 0 H ARG A 44 20.957 -4.245 -10.637 1.00 71.01 H new ATOM 0 HA ARG A 44 18.298 -5.503 -10.999 1.00 25.30 H new ATOM 0 HB2 ARG A 44 19.871 -4.905 -8.464 1.00 23.24 H new ATOM 0 HB3 ARG A 44 18.189 -5.396 -8.481 1.00 23.24 H new ATOM 0 HG2 ARG A 44 20.436 -7.060 -9.673 1.00 71.22 H new ATOM 0 HG3 ARG A 44 19.851 -7.250 -8.032 1.00 71.22 H new ATOM 0 HD2 ARG A 44 17.484 -7.335 -9.417 1.00 64.55 H new ATOM 0 HD3 ARG A 44 18.572 -8.022 -10.606 1.00 64.55 H new ATOM 0 HE ARG A 44 18.831 -9.932 -9.282 1.00 40.31 H new ATOM 0 HH11 ARG A 44 17.282 -7.336 -7.458 1.00 73.14 H new ATOM 0 HH12 ARG A 44 16.867 -8.383 -6.097 1.00 73.14 H new ATOM 0 HH21 ARG A 44 18.294 -11.271 -7.529 1.00 71.22 H new ATOM 0 HH22 ARG A 44 17.437 -10.600 -6.137 1.00 71.22 H new ATOM 646 N PRO A 45 17.061 -3.378 -10.627 1.00 24.34 N ATOM 647 CA PRO A 45 16.332 -2.108 -10.573 1.00 33.14 C ATOM 648 C PRO A 45 16.116 -1.624 -9.143 1.00 12.12 C ATOM 649 O PRO A 45 15.088 -1.910 -8.527 1.00 61.14 O ATOM 650 CB PRO A 45 14.991 -2.441 -11.233 1.00 3.42 C ATOM 651 CG PRO A 45 14.822 -3.907 -11.029 1.00 41.41 C ATOM 652 CD PRO A 45 16.206 -4.493 -11.069 1.00 3.33 C ATOM 0 HA PRO A 45 16.878 -1.303 -11.066 1.00 33.14 H new ATOM 0 HB2 PRO A 45 14.175 -1.881 -10.776 1.00 3.42 H new ATOM 0 HB3 PRO A 45 14.998 -2.187 -12.293 1.00 3.42 H new ATOM 0 HG2 PRO A 45 14.338 -4.115 -10.075 1.00 41.41 H new ATOM 0 HG3 PRO A 45 14.193 -4.339 -11.807 1.00 41.41 H new ATOM 0 HD2 PRO A 45 16.297 -5.355 -10.408 1.00 3.33 H new ATOM 0 HD3 PRO A 45 16.471 -4.830 -12.071 1.00 3.33 H new ATOM 660 N THR A 46 17.091 -0.888 -8.618 1.00 52.14 N ATOM 661 CA THR A 46 17.008 -0.364 -7.261 1.00 34.42 C ATOM 662 C THR A 46 16.641 1.115 -7.263 1.00 44.35 C ATOM 663 O THR A 46 17.169 1.895 -8.057 1.00 64.43 O ATOM 664 CB THR A 46 18.336 -0.551 -6.504 1.00 62.51 C ATOM 665 OG1 THR A 46 18.657 -1.944 -6.414 1.00 70.14 O ATOM 666 CG2 THR A 46 18.252 0.046 -5.108 1.00 23.24 C ATOM 0 H THR A 46 17.948 -0.641 -9.113 1.00 52.14 H new ATOM 0 HA THR A 46 16.226 -0.928 -6.753 1.00 34.42 H new ATOM 0 HB THR A 46 19.120 -0.033 -7.057 1.00 62.51 H new ATOM 0 HG1 THR A 46 19.504 -2.054 -5.933 1.00 70.14 H new ATOM 0 HG21 THR A 46 19.202 -0.098 -4.593 1.00 23.24 H new ATOM 0 HG22 THR A 46 18.037 1.112 -5.181 1.00 23.24 H new ATOM 0 HG23 THR A 46 17.457 -0.447 -4.549 1.00 23.24 H new ATOM 674 N CYS A 47 15.735 1.497 -6.370 1.00 53.34 N ATOM 675 CA CYS A 47 15.297 2.884 -6.269 1.00 44.30 C ATOM 676 C CYS A 47 15.921 3.564 -5.053 1.00 62.14 C ATOM 677 O CYS A 47 15.712 3.141 -3.916 1.00 63.55 O ATOM 678 CB CYS A 47 13.772 2.955 -6.179 1.00 73.24 C ATOM 679 SG CYS A 47 13.035 4.333 -7.116 1.00 33.41 S ATOM 0 H CYS A 47 15.289 0.865 -5.705 1.00 53.34 H new ATOM 0 HA CYS A 47 15.626 3.408 -7.166 1.00 44.30 H new ATOM 0 HB2 CYS A 47 13.353 2.017 -6.543 1.00 73.24 H new ATOM 0 HB3 CYS A 47 13.484 3.047 -5.132 1.00 73.24 H new ATOM 684 N VAL A 48 16.688 4.621 -5.302 1.00 22.21 N ATOM 685 CA VAL A 48 17.342 5.360 -4.229 1.00 14.53 C ATOM 686 C VAL A 48 16.697 6.728 -4.032 1.00 33.22 C ATOM 687 O VAL A 48 16.214 7.342 -4.984 1.00 24.11 O ATOM 688 CB VAL A 48 18.844 5.549 -4.511 1.00 51.51 C ATOM 689 CG1 VAL A 48 19.593 5.869 -3.226 1.00 71.33 C ATOM 690 CG2 VAL A 48 19.420 4.311 -5.180 1.00 32.50 C ATOM 0 H VAL A 48 16.871 4.984 -6.237 1.00 22.21 H new ATOM 0 HA VAL A 48 17.222 4.770 -3.320 1.00 14.53 H new ATOM 0 HB VAL A 48 18.965 6.391 -5.192 1.00 51.51 H new ATOM 0 HG11 VAL A 48 20.653 5.999 -3.445 1.00 71.33 H new ATOM 0 HG12 VAL A 48 19.197 6.787 -2.793 1.00 71.33 H new ATOM 0 HG13 VAL A 48 19.467 5.050 -2.518 1.00 71.33 H new ATOM 0 HG21 VAL A 48 20.482 4.462 -5.372 1.00 32.50 H new ATOM 0 HG22 VAL A 48 19.289 3.449 -4.526 1.00 32.50 H new ATOM 0 HG23 VAL A 48 18.903 4.133 -6.123 1.00 32.50 H new ATOM 700 N CYS A 49 16.692 7.200 -2.790 1.00 12.22 N ATOM 701 CA CYS A 49 16.106 8.495 -2.466 1.00 45.51 C ATOM 702 C CYS A 49 17.175 9.468 -1.976 1.00 42.21 C ATOM 703 O CYS A 49 18.291 9.066 -1.646 1.00 42.20 O ATOM 704 CB CYS A 49 15.020 8.336 -1.401 1.00 32.30 C ATOM 705 SG CYS A 49 13.328 8.608 -2.018 1.00 53.33 S ATOM 0 H CYS A 49 17.087 6.705 -1.991 1.00 12.22 H new ATOM 0 HA CYS A 49 15.658 8.900 -3.374 1.00 45.51 H new ATOM 0 HB2 CYS A 49 15.084 7.333 -0.979 1.00 32.30 H new ATOM 0 HB3 CYS A 49 15.216 9.037 -0.590 1.00 32.30 H new ATOM 710 N TYR A 50 16.826 10.749 -1.931 1.00 74.13 N ATOM 711 CA TYR A 50 17.755 11.780 -1.484 1.00 33.31 C ATOM 712 C TYR A 50 17.004 12.988 -0.932 1.00 72.31 C ATOM 713 O TYR A 50 15.777 13.060 -1.011 1.00 63.54 O ATOM 714 CB TYR A 50 18.663 12.212 -2.636 1.00 53.43 C ATOM 715 CG TYR A 50 19.540 11.101 -3.167 1.00 35.44 C ATOM 716 CD1 TYR A 50 19.124 10.309 -4.231 1.00 1.44 C ATOM 717 CD2 TYR A 50 20.783 10.841 -2.603 1.00 73.33 C ATOM 718 CE1 TYR A 50 19.921 9.292 -4.718 1.00 64.02 C ATOM 719 CE2 TYR A 50 21.587 9.826 -3.085 1.00 42.53 C ATOM 720 CZ TYR A 50 21.152 9.055 -4.143 1.00 22.24 C ATOM 721 OH TYR A 50 21.950 8.043 -4.625 1.00 22.44 O ATOM 0 H TYR A 50 15.906 11.098 -2.199 1.00 74.13 H new ATOM 0 HA TYR A 50 18.367 11.360 -0.686 1.00 33.31 H new ATOM 0 HB2 TYR A 50 18.046 12.596 -3.449 1.00 53.43 H new ATOM 0 HB3 TYR A 50 19.296 13.033 -2.300 1.00 53.43 H new ATOM 0 HD1 TYR A 50 18.161 10.492 -4.684 1.00 1.44 H new ATOM 0 HD2 TYR A 50 21.126 11.442 -1.774 1.00 73.33 H new ATOM 0 HE1 TYR A 50 19.582 8.685 -5.545 1.00 64.02 H new ATOM 0 HE2 TYR A 50 22.551 9.637 -2.636 1.00 42.53 H new ATOM 0 HH TYR A 50 22.783 8.010 -4.110 1.00 22.44 H new ATOM 731 N ARG A 51 17.750 13.935 -0.373 1.00 53.13 N ATOM 732 CA ARG A 51 17.156 15.140 0.193 1.00 41.44 C ATOM 733 C ARG A 51 16.029 14.789 1.159 1.00 54.12 C ATOM 734 O ARG A 51 15.080 15.556 1.328 1.00 73.53 O ATOM 735 CB ARG A 51 16.624 16.044 -0.921 1.00 44.14 C ATOM 736 CG ARG A 51 17.687 16.466 -1.923 1.00 21.30 C ATOM 737 CD ARG A 51 17.527 17.924 -2.325 1.00 31.44 C ATOM 738 NE ARG A 51 18.815 18.600 -2.455 1.00 73.14 N ATOM 739 CZ ARG A 51 18.946 19.860 -2.854 1.00 53.22 C ATOM 740 NH1 ARG A 51 17.873 20.578 -3.159 1.00 61.50 N ATOM 741 NH2 ARG A 51 20.152 20.406 -2.948 1.00 73.32 N ATOM 0 H ARG A 51 18.766 13.891 -0.300 1.00 53.13 H new ATOM 0 HA ARG A 51 17.931 15.672 0.744 1.00 41.44 H new ATOM 0 HB2 ARG A 51 15.825 15.524 -1.449 1.00 44.14 H new ATOM 0 HB3 ARG A 51 16.183 16.935 -0.475 1.00 44.14 H new ATOM 0 HG2 ARG A 51 18.676 16.313 -1.492 1.00 21.30 H new ATOM 0 HG3 ARG A 51 17.624 15.834 -2.809 1.00 21.30 H new ATOM 0 HD2 ARG A 51 16.990 17.982 -3.272 1.00 31.44 H new ATOM 0 HD3 ARG A 51 16.920 18.441 -1.582 1.00 31.44 H new ATOM 0 HE ARG A 51 19.660 18.076 -2.227 1.00 73.14 H new ATOM 0 HH11 ARG A 51 16.944 20.163 -3.087 1.00 61.50 H new ATOM 0 HH12 ARG A 51 17.977 21.545 -3.465 1.00 61.50 H new ATOM 0 HH21 ARG A 51 20.980 19.858 -2.714 1.00 73.32 H new ATOM 0 HH22 ARG A 51 20.251 21.374 -3.255 1.00 73.32 H new ATOM 755 N CYS A 52 16.139 13.625 1.790 1.00 12.24 N ATOM 756 CA CYS A 52 15.129 13.171 2.739 1.00 64.41 C ATOM 757 C CYS A 52 15.205 13.968 4.038 1.00 65.30 C ATOM 758 O CYS A 52 16.103 14.789 4.223 1.00 64.42 O ATOM 759 CB CYS A 52 15.309 11.680 3.031 1.00 32.44 C ATOM 760 SG CYS A 52 13.745 10.770 3.243 1.00 72.24 S ATOM 0 H CYS A 52 16.918 12.979 1.661 1.00 12.24 H new ATOM 0 HA CYS A 52 14.148 13.332 2.292 1.00 64.41 H new ATOM 0 HB2 CYS A 52 15.873 11.227 2.216 1.00 32.44 H new ATOM 0 HB3 CYS A 52 15.908 11.567 3.935 1.00 32.44 H new ATOM 765 N ALA A 53 14.257 13.719 4.935 1.00 54.13 N ATOM 766 CA ALA A 53 14.217 14.411 6.217 1.00 41.10 C ATOM 767 C ALA A 53 14.614 13.479 7.356 1.00 25.24 C ATOM 768 O ALA A 53 15.131 13.921 8.381 1.00 11.44 O ATOM 769 CB ALA A 53 12.831 14.987 6.463 1.00 13.51 C ATOM 0 H ALA A 53 13.506 13.043 4.797 1.00 54.13 H new ATOM 0 HA ALA A 53 14.937 15.228 6.183 1.00 41.10 H new ATOM 0 HB1 ALA A 53 12.816 15.501 7.424 1.00 13.51 H new ATOM 0 HB2 ALA A 53 12.584 15.693 5.670 1.00 13.51 H new ATOM 0 HB3 ALA A 53 12.098 14.180 6.471 1.00 13.51 H new ATOM 775 N ASN A 54 14.369 12.186 7.170 1.00 63.12 N ATOM 776 CA ASN A 54 14.701 11.191 8.184 1.00 54.15 C ATOM 777 C ASN A 54 16.096 10.620 7.950 1.00 71.05 C ATOM 778 O ASN A 54 16.431 9.548 8.451 1.00 25.02 O ATOM 779 CB ASN A 54 13.668 10.062 8.177 1.00 13.41 C ATOM 780 CG ASN A 54 13.159 9.736 9.568 1.00 23.01 C ATOM 781 OD1 ASN A 54 13.943 9.522 10.493 1.00 0.11 O ATOM 782 ND2 ASN A 54 11.841 9.696 9.722 1.00 51.03 N ATOM 0 H ASN A 54 13.942 11.803 6.327 1.00 63.12 H new ATOM 0 HA ASN A 54 14.687 11.682 9.157 1.00 54.15 H new ATOM 0 HB2 ASN A 54 12.828 10.346 7.543 1.00 13.41 H new ATOM 0 HB3 ASN A 54 14.112 9.169 7.737 1.00 13.41 H new ATOM 0 HD21 ASN A 54 11.441 9.481 10.635 1.00 51.03 H new ATOM 0 HD22 ASN A 54 11.229 9.880 8.927 1.00 51.03 H new ATOM 789 N GLY A 55 16.906 11.345 7.184 1.00 53.14 N ATOM 790 CA GLY A 55 18.255 10.895 6.897 1.00 43.32 C ATOM 791 C GLY A 55 18.984 11.819 5.941 1.00 55.30 C ATOM 792 O GLY A 55 20.206 11.943 5.997 1.00 2.50 O ATOM 0 H GLY A 55 16.652 12.236 6.757 1.00 53.14 H new ATOM 0 HA2 GLY A 55 18.817 10.824 7.828 1.00 43.32 H new ATOM 0 HA3 GLY A 55 18.217 9.893 6.471 1.00 43.32 H new ATOM 796 N GLY A 56 18.230 12.469 5.059 1.00 42.13 N ATOM 797 CA GLY A 56 18.829 13.377 4.098 1.00 62.33 C ATOM 798 C GLY A 56 19.820 12.683 3.185 1.00 63.33 C ATOM 799 O GLY A 56 21.003 13.021 3.169 1.00 50.30 O ATOM 0 H GLY A 56 17.216 12.383 4.993 1.00 42.13 H new ATOM 0 HA2 GLY A 56 18.044 13.834 3.496 1.00 62.33 H new ATOM 0 HA3 GLY A 56 19.333 14.184 4.630 1.00 62.33 H new ATOM 803 N GLY A 57 19.337 11.706 2.422 1.00 3.40 N ATOM 804 CA GLY A 57 20.203 10.977 1.514 1.00 41.10 C ATOM 805 C GLY A 57 19.580 9.681 1.034 1.00 10.30 C ATOM 806 O GLY A 57 18.375 9.617 0.790 1.00 50.11 O ATOM 0 H GLY A 57 18.362 11.407 2.417 1.00 3.40 H new ATOM 0 HA2 GLY A 57 20.434 11.606 0.654 1.00 41.10 H new ATOM 0 HA3 GLY A 57 21.147 10.760 2.013 1.00 41.10 H new ATOM 810 N ASP A 58 20.402 8.647 0.897 1.00 71.23 N ATOM 811 CA ASP A 58 19.925 7.346 0.442 1.00 54.11 C ATOM 812 C ASP A 58 18.968 6.732 1.459 1.00 14.31 C ATOM 813 O ASP A 58 19.388 6.269 2.520 1.00 73.12 O ATOM 814 CB ASP A 58 21.104 6.403 0.199 1.00 73.24 C ATOM 815 CG ASP A 58 22.090 6.401 1.350 1.00 64.44 C ATOM 816 OD1 ASP A 58 22.026 5.474 2.185 1.00 40.30 O ATOM 817 OD2 ASP A 58 22.928 7.325 1.415 1.00 74.35 O ATOM 0 H ASP A 58 21.402 8.684 1.094 1.00 71.23 H new ATOM 0 HA ASP A 58 19.387 7.491 -0.495 1.00 54.11 H new ATOM 0 HB2 ASP A 58 20.730 5.391 0.043 1.00 73.24 H new ATOM 0 HB3 ASP A 58 21.618 6.697 -0.716 1.00 73.24 H new ATOM 822 N ILE A 59 17.681 6.734 1.129 1.00 74.22 N ATOM 823 CA ILE A 59 16.665 6.177 2.014 1.00 52.23 C ATOM 824 C ILE A 59 15.604 5.419 1.224 1.00 74.42 C ATOM 825 O ILE A 59 14.712 6.006 0.611 1.00 0.30 O ATOM 826 CB ILE A 59 15.980 7.277 2.847 1.00 63.31 C ATOM 827 CG1 ILE A 59 17.020 8.263 3.382 1.00 2.05 C ATOM 828 CG2 ILE A 59 15.189 6.660 3.991 1.00 63.54 C ATOM 829 CD1 ILE A 59 17.856 7.705 4.513 1.00 64.03 C ATOM 0 H ILE A 59 17.317 7.115 0.256 1.00 74.22 H new ATOM 0 HA ILE A 59 17.176 5.488 2.687 1.00 52.23 H new ATOM 0 HB ILE A 59 15.287 7.821 2.205 1.00 63.31 H new ATOM 0 HG12 ILE A 59 17.679 8.561 2.567 1.00 2.05 H new ATOM 0 HG13 ILE A 59 16.512 9.163 3.727 1.00 2.05 H new ATOM 0 HG21 ILE A 59 14.711 7.450 4.570 1.00 63.54 H new ATOM 0 HG22 ILE A 59 14.427 5.993 3.588 1.00 63.54 H new ATOM 0 HG23 ILE A 59 15.862 6.094 4.635 1.00 63.54 H new ATOM 0 HD11 ILE A 59 18.572 8.458 4.842 1.00 64.03 H new ATOM 0 HD12 ILE A 59 17.207 7.433 5.345 1.00 64.03 H new ATOM 0 HD13 ILE A 59 18.393 6.821 4.167 1.00 64.03 H new ATOM 841 N PRO A 60 15.699 4.081 1.238 1.00 33.25 N ATOM 842 CA PRO A 60 14.754 3.212 0.530 1.00 13.24 C ATOM 843 C PRO A 60 13.369 3.219 1.170 1.00 64.41 C ATOM 844 O PRO A 60 13.231 3.449 2.372 1.00 74.20 O ATOM 845 CB PRO A 60 15.390 1.825 0.648 1.00 45.23 C ATOM 846 CG PRO A 60 16.233 1.898 1.874 1.00 23.30 C ATOM 847 CD PRO A 60 16.736 3.313 1.948 1.00 51.01 C ATOM 0 HA PRO A 60 14.594 3.536 -0.498 1.00 13.24 H new ATOM 0 HB2 PRO A 60 14.631 1.048 0.735 1.00 45.23 H new ATOM 0 HB3 PRO A 60 15.989 1.588 -0.231 1.00 45.23 H new ATOM 0 HG2 PRO A 60 15.654 1.643 2.761 1.00 23.30 H new ATOM 0 HG3 PRO A 60 17.062 1.192 1.820 1.00 23.30 H new ATOM 0 HD2 PRO A 60 16.847 3.646 2.980 1.00 51.01 H new ATOM 0 HD3 PRO A 60 17.711 3.418 1.472 1.00 51.01 H new ATOM 855 N LEU A 61 12.348 2.964 0.360 1.00 54.40 N ATOM 856 CA LEU A 61 10.973 2.940 0.847 1.00 12.22 C ATOM 857 C LEU A 61 10.846 2.044 2.075 1.00 11.42 C ATOM 858 O LEU A 61 9.935 2.209 2.885 1.00 12.52 O ATOM 859 CB LEU A 61 10.029 2.453 -0.254 1.00 23.43 C ATOM 860 CG LEU A 61 10.001 3.289 -1.533 1.00 44.51 C ATOM 861 CD1 LEU A 61 8.840 2.870 -2.420 1.00 72.34 C ATOM 862 CD2 LEU A 61 9.912 4.771 -1.199 1.00 54.43 C ATOM 0 H LEU A 61 12.446 2.771 -0.637 1.00 54.40 H new ATOM 0 HA LEU A 61 10.696 3.955 1.131 1.00 12.22 H new ATOM 0 HB2 LEU A 61 10.306 1.432 -0.517 1.00 23.43 H new ATOM 0 HB3 LEU A 61 9.018 2.414 0.153 1.00 23.43 H new ATOM 0 HG LEU A 61 10.928 3.115 -2.078 1.00 44.51 H new ATOM 0 HD11 LEU A 61 8.837 3.476 -3.326 1.00 72.34 H new ATOM 0 HD12 LEU A 61 8.947 1.819 -2.688 1.00 72.34 H new ATOM 0 HD13 LEU A 61 7.902 3.014 -1.884 1.00 72.34 H new ATOM 0 HD21 LEU A 61 9.893 5.351 -2.121 1.00 54.43 H new ATOM 0 HD22 LEU A 61 9.001 4.962 -0.631 1.00 54.43 H new ATOM 0 HD23 LEU A 61 10.778 5.063 -0.605 1.00 54.43 H new ATOM 874 N GLY A 62 11.768 1.096 2.207 1.00 22.34 N ATOM 875 CA GLY A 62 11.743 0.189 3.340 1.00 12.13 C ATOM 876 C GLY A 62 12.213 0.849 4.622 1.00 73.05 C ATOM 877 O GLY A 62 11.705 0.552 5.703 1.00 44.03 O ATOM 0 H GLY A 62 12.532 0.940 1.550 1.00 22.34 H new ATOM 0 HA2 GLY A 62 10.729 -0.186 3.479 1.00 12.13 H new ATOM 0 HA3 GLY A 62 12.375 -0.673 3.126 1.00 12.13 H new ATOM 881 N ALA A 63 13.186 1.746 4.501 1.00 60.20 N ATOM 882 CA ALA A 63 13.724 2.449 5.659 1.00 41.45 C ATOM 883 C ALA A 63 12.805 3.590 6.084 1.00 63.32 C ATOM 884 O ALA A 63 12.812 4.007 7.243 1.00 61.12 O ATOM 885 CB ALA A 63 15.118 2.978 5.354 1.00 61.21 C ATOM 0 H ALA A 63 13.618 2.003 3.613 1.00 60.20 H new ATOM 0 HA ALA A 63 13.788 1.741 6.486 1.00 41.45 H new ATOM 0 HB1 ALA A 63 15.508 3.501 6.227 1.00 61.21 H new ATOM 0 HB2 ALA A 63 15.777 2.146 5.105 1.00 61.21 H new ATOM 0 HB3 ALA A 63 15.069 3.667 4.511 1.00 61.21 H new ATOM 891 N LEU A 64 12.016 4.091 5.140 1.00 61.41 N ATOM 892 CA LEU A 64 11.091 5.184 5.417 1.00 42.21 C ATOM 893 C LEU A 64 9.718 4.649 5.812 1.00 43.43 C ATOM 894 O LEU A 64 8.763 5.412 5.959 1.00 41.43 O ATOM 895 CB LEU A 64 10.964 6.093 4.193 1.00 4.32 C ATOM 896 CG LEU A 64 11.866 7.328 4.178 1.00 11.34 C ATOM 897 CD1 LEU A 64 12.232 7.705 2.751 1.00 13.11 C ATOM 898 CD2 LEU A 64 11.186 8.494 4.882 1.00 73.41 C ATOM 0 H LEU A 64 11.998 3.758 4.176 1.00 61.41 H new ATOM 0 HA LEU A 64 11.489 5.761 6.251 1.00 42.21 H new ATOM 0 HB2 LEU A 64 11.177 5.502 3.302 1.00 4.32 H new ATOM 0 HB3 LEU A 64 9.928 6.423 4.116 1.00 4.32 H new ATOM 0 HG LEU A 64 12.784 7.090 4.716 1.00 11.34 H new ATOM 0 HD11 LEU A 64 12.874 8.586 2.761 1.00 13.11 H new ATOM 0 HD12 LEU A 64 12.760 6.876 2.280 1.00 13.11 H new ATOM 0 HD13 LEU A 64 11.324 7.924 2.188 1.00 13.11 H new ATOM 0 HD21 LEU A 64 11.842 9.364 4.862 1.00 73.41 H new ATOM 0 HD22 LEU A 64 10.252 8.732 4.373 1.00 73.41 H new ATOM 0 HD23 LEU A 64 10.976 8.222 5.916 1.00 73.41 H new ATOM 910 N ILE A 65 9.628 3.335 5.984 1.00 62.04 N ATOM 911 CA ILE A 65 8.373 2.699 6.365 1.00 42.22 C ATOM 912 C ILE A 65 7.827 3.293 7.659 1.00 53.45 C ATOM 913 O ILE A 65 8.435 3.162 8.721 1.00 50.31 O ATOM 914 CB ILE A 65 8.544 1.179 6.543 1.00 34.02 C ATOM 915 CG1 ILE A 65 8.817 0.513 5.193 1.00 21.32 C ATOM 916 CG2 ILE A 65 7.306 0.580 7.195 1.00 50.15 C ATOM 917 CD1 ILE A 65 9.067 -0.976 5.294 1.00 44.22 C ATOM 0 H ILE A 65 10.409 2.690 5.866 1.00 62.04 H new ATOM 0 HA ILE A 65 7.666 2.885 5.556 1.00 42.22 H new ATOM 0 HB ILE A 65 9.398 0.998 7.195 1.00 34.02 H new ATOM 0 HG12 ILE A 65 7.967 0.687 4.533 1.00 21.32 H new ATOM 0 HG13 ILE A 65 9.682 0.988 4.731 1.00 21.32 H new ATOM 0 HG21 ILE A 65 7.442 -0.495 7.314 1.00 50.15 H new ATOM 0 HG22 ILE A 65 7.152 1.037 8.173 1.00 50.15 H new ATOM 0 HG23 ILE A 65 6.436 0.768 6.566 1.00 50.15 H new ATOM 0 HD11 ILE A 65 9.253 -1.382 4.300 1.00 44.22 H new ATOM 0 HD12 ILE A 65 9.935 -1.157 5.928 1.00 44.22 H new ATOM 0 HD13 ILE A 65 8.193 -1.463 5.727 1.00 44.22 H new ATOM 929 N LYS A 66 6.673 3.946 7.562 1.00 4.34 N ATOM 930 CA LYS A 66 6.041 4.559 8.725 1.00 62.23 C ATOM 931 C LYS A 66 5.065 3.591 9.386 1.00 53.31 C ATOM 932 O LYS A 66 4.388 3.942 10.353 1.00 62.21 O ATOM 933 CB LYS A 66 5.309 5.840 8.317 1.00 24.42 C ATOM 934 CG LYS A 66 6.187 6.832 7.575 1.00 65.24 C ATOM 935 CD LYS A 66 5.365 7.742 6.678 1.00 62.24 C ATOM 936 CE LYS A 66 4.952 7.035 5.395 1.00 4.53 C ATOM 937 NZ LYS A 66 3.472 6.966 5.252 1.00 12.22 N ATOM 0 H LYS A 66 6.157 4.064 6.690 1.00 4.34 H new ATOM 0 HA LYS A 66 6.822 4.808 9.444 1.00 62.23 H new ATOM 0 HB2 LYS A 66 4.459 5.578 7.687 1.00 24.42 H new ATOM 0 HB3 LYS A 66 4.908 6.319 9.210 1.00 24.42 H new ATOM 0 HG2 LYS A 66 6.744 7.434 8.293 1.00 65.24 H new ATOM 0 HG3 LYS A 66 6.920 6.293 6.974 1.00 65.24 H new ATOM 0 HD2 LYS A 66 4.476 8.076 7.213 1.00 62.24 H new ATOM 0 HD3 LYS A 66 5.943 8.633 6.434 1.00 62.24 H new ATOM 0 HE2 LYS A 66 5.376 7.560 4.539 1.00 4.53 H new ATOM 0 HE3 LYS A 66 5.365 6.026 5.387 1.00 4.53 H new ATOM 0 HZ1 LYS A 66 3.231 6.477 4.366 1.00 12.22 H new ATOM 0 HZ2 LYS A 66 3.070 6.443 6.056 1.00 12.22 H new ATOM 0 HZ3 LYS A 66 3.080 7.929 5.234 1.00 12.22 H new ATOM 951 N ARG A 67 4.998 2.373 8.859 1.00 31.02 N ATOM 952 CA ARG A 67 4.104 1.355 9.399 1.00 44.20 C ATOM 953 C ARG A 67 2.645 1.763 9.220 1.00 71.21 C ATOM 954 O ARG A 67 1.756 1.233 9.885 1.00 13.42 O ATOM 955 CB ARG A 67 4.401 1.120 10.881 1.00 21.21 C ATOM 956 CG ARG A 67 5.108 -0.197 11.159 1.00 3.41 C ATOM 957 CD ARG A 67 6.351 -0.354 10.297 1.00 20.21 C ATOM 958 NE ARG A 67 7.065 -1.595 10.588 1.00 40.43 N ATOM 959 CZ ARG A 67 8.330 -1.812 10.244 1.00 34.51 C ATOM 960 NH1 ARG A 67 9.016 -0.878 9.601 1.00 11.35 N ATOM 961 NH2 ARG A 67 8.910 -2.967 10.544 1.00 62.31 N ATOM 0 H ARG A 67 5.552 2.067 8.059 1.00 31.02 H new ATOM 0 HA ARG A 67 4.274 0.429 8.850 1.00 44.20 H new ATOM 0 HB2 ARG A 67 5.016 1.939 11.254 1.00 21.21 H new ATOM 0 HB3 ARG A 67 3.465 1.145 11.439 1.00 21.21 H new ATOM 0 HG2 ARG A 67 5.385 -0.247 12.212 1.00 3.41 H new ATOM 0 HG3 ARG A 67 4.425 -1.025 10.969 1.00 3.41 H new ATOM 0 HD2 ARG A 67 6.067 -0.337 9.245 1.00 20.21 H new ATOM 0 HD3 ARG A 67 7.016 0.494 10.461 1.00 20.21 H new ATOM 0 HE ARG A 67 6.566 -2.335 11.082 1.00 40.43 H new ATOM 0 HH11 ARG A 67 8.573 0.011 9.369 1.00 11.35 H new ATOM 0 HH12 ARG A 67 9.987 -1.048 9.339 1.00 11.35 H new ATOM 0 HH21 ARG A 67 8.385 -3.688 11.039 1.00 62.31 H new ATOM 0 HH22 ARG A 67 9.881 -3.134 10.280 1.00 62.31 H new ATOM 975 N GLY A 68 2.406 2.708 8.316 1.00 3.51 N ATOM 976 CA GLY A 68 1.054 3.172 8.066 1.00 32.53 C ATOM 977 C GLY A 68 0.760 3.334 6.588 1.00 23.01 C ATOM 978 O GLY A 68 1.243 4.270 5.952 1.00 44.51 O ATOM 0 H GLY A 68 3.125 3.161 7.752 1.00 3.51 H new ATOM 0 HA2 GLY A 68 0.345 2.466 8.499 1.00 32.53 H new ATOM 0 HA3 GLY A 68 0.902 4.126 8.570 1.00 32.53 H new TER 982 GLY A 68