USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 841 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 82 ASN : amide:sc= 1.36 K(o=2.5,f=-3!) USER MOD Set 1.2: A 92 GLN : amide:sc= 1.14 K(o=2.5,f=0.8) USER MOD Set 2.1: A 23 TYR OH : rot 0:sc= -0.807 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 156:sc= -0.777 (180deg=-0.0351) USER MOD Set 3.1: A 14 CYS SG : rot 62:sc= -0.457 USER MOD Set 3.2: A 53 CYS SG : rot -170:sc= -3.38! USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.899 (180deg=-0.49) USER MOD Single : A 21 THR OG1 : rot -90:sc= 0.379 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.248 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -105:sc= 1.23 (180deg=-0.513) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.139) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 0.552 (180deg=0.364) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0114 (180deg=-0.151) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= 0.0409 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 0.891 (180deg=-0.348) USER MOD Single : A 62 LYS NZ :NH3+ 136:sc= 1.49 (180deg=0.591) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0.774 (180deg=0.732) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -0.0051 (180deg=-0.0986) USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= 0.0732 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00629) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0.653 (180deg=0.418) USER MOD Single : A 86 ASN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= 0.425 (180deg=-0.203) USER MOD Single : A 93 SER OG : rot 180:sc=0.000155 USER MOD Single : A 94 THR OG1 : rot -150:sc= -0.0105 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 5 2.320 -17.652 -5.941 1.00 71.10 N ATOM 60 CA GLU A 5 3.127 -16.785 -5.091 1.00 31.05 C ATOM 61 C GLU A 5 2.554 -15.358 -5.123 1.00 72.12 C ATOM 62 O GLU A 5 2.347 -14.793 -6.209 1.00 33.14 O ATOM 63 CB GLU A 5 4.620 -16.788 -5.556 1.00 72.43 C ATOM 64 CG GLU A 5 5.158 -18.154 -6.080 1.00 54.13 C ATOM 65 CD GLU A 5 4.953 -18.368 -7.600 1.00 12.42 C ATOM 66 OE1 GLU A 5 5.770 -17.851 -8.395 1.00 40.20 O ATOM 67 OE2 GLU A 5 3.977 -19.043 -8.001 1.00 10.11 O ATOM 0 HA GLU A 5 3.094 -17.161 -4.068 1.00 31.05 H new ATOM 0 HB2 GLU A 5 4.738 -16.045 -6.344 1.00 72.43 H new ATOM 0 HB3 GLU A 5 5.243 -16.469 -4.721 1.00 72.43 H new ATOM 0 HG2 GLU A 5 6.222 -18.225 -5.853 1.00 54.13 H new ATOM 0 HG3 GLU A 5 4.662 -18.960 -5.539 1.00 54.13 H new ATOM 74 N LEU A 6 2.294 -14.794 -3.934 1.00 60.41 N ATOM 75 CA LEU A 6 1.710 -13.457 -3.808 1.00 62.50 C ATOM 76 C LEU A 6 2.793 -12.409 -4.049 1.00 33.12 C ATOM 77 O LEU A 6 3.563 -12.075 -3.143 1.00 5.21 O ATOM 78 CB LEU A 6 1.055 -13.273 -2.411 1.00 33.21 C ATOM 79 CG LEU A 6 -0.008 -14.346 -2.013 1.00 0.23 C ATOM 80 CD1 LEU A 6 -0.753 -13.943 -0.728 1.00 11.12 C ATOM 81 CD2 LEU A 6 -0.988 -14.638 -3.173 1.00 53.42 C ATOM 0 H LEU A 6 2.482 -15.250 -3.041 1.00 60.41 H new ATOM 0 HA LEU A 6 0.926 -13.334 -4.555 1.00 62.50 H new ATOM 0 HB2 LEU A 6 1.843 -13.273 -1.658 1.00 33.21 H new ATOM 0 HB3 LEU A 6 0.583 -12.291 -2.378 1.00 33.21 H new ATOM 0 HG LEU A 6 0.526 -15.274 -1.806 1.00 0.23 H new ATOM 0 HD11 LEU A 6 -1.486 -14.710 -0.477 1.00 11.12 H new ATOM 0 HD12 LEU A 6 -0.039 -13.841 0.090 1.00 11.12 H new ATOM 0 HD13 LEU A 6 -1.262 -12.992 -0.886 1.00 11.12 H new ATOM 0 HD21 LEU A 6 -1.712 -15.389 -2.857 1.00 53.42 H new ATOM 0 HD22 LEU A 6 -1.511 -13.722 -3.446 1.00 53.42 H new ATOM 0 HD23 LEU A 6 -0.432 -15.009 -4.034 1.00 53.42 H new ATOM 93 N ARG A 7 2.841 -11.899 -5.284 1.00 3.25 N ATOM 94 CA ARG A 7 3.839 -10.909 -5.697 1.00 41.30 C ATOM 95 C ARG A 7 3.220 -9.512 -5.623 1.00 11.33 C ATOM 96 O ARG A 7 2.332 -9.175 -6.410 1.00 33.44 O ATOM 97 CB ARG A 7 4.356 -11.224 -7.127 1.00 32.33 C ATOM 98 CG ARG A 7 5.371 -10.189 -7.667 1.00 63.41 C ATOM 99 CD ARG A 7 5.893 -10.517 -9.071 1.00 33.34 C ATOM 100 NE ARG A 7 6.704 -9.407 -9.615 1.00 2.25 N ATOM 101 CZ ARG A 7 6.619 -8.918 -10.861 1.00 71.30 C ATOM 102 NH1 ARG A 7 5.751 -9.419 -11.734 1.00 12.13 N ATOM 103 NH2 ARG A 7 7.356 -7.886 -11.219 1.00 43.02 N ATOM 0 H ARG A 7 2.190 -12.161 -6.024 1.00 3.25 H new ATOM 0 HA ARG A 7 4.696 -10.948 -5.025 1.00 41.30 H new ATOM 0 HB2 ARG A 7 4.822 -12.209 -7.126 1.00 32.33 H new ATOM 0 HB3 ARG A 7 3.506 -11.274 -7.807 1.00 32.33 H new ATOM 0 HG2 ARG A 7 4.901 -9.206 -7.684 1.00 63.41 H new ATOM 0 HG3 ARG A 7 6.215 -10.127 -6.980 1.00 63.41 H new ATOM 0 HD2 ARG A 7 6.494 -11.426 -9.035 1.00 33.34 H new ATOM 0 HD3 ARG A 7 5.053 -10.717 -9.736 1.00 33.34 H new ATOM 0 HE ARG A 7 7.386 -8.977 -8.990 1.00 2.25 H new ATOM 0 HH11 ARG A 7 5.137 -10.186 -11.460 1.00 12.13 H new ATOM 0 HH12 ARG A 7 5.698 -9.036 -12.678 1.00 12.13 H new ATOM 0 HH21 ARG A 7 7.993 -7.457 -10.548 1.00 43.02 H new ATOM 0 HH22 ARG A 7 7.289 -7.516 -12.167 1.00 43.02 H new ATOM 117 N VAL A 8 3.681 -8.713 -4.651 1.00 4.24 N ATOM 118 CA VAL A 8 3.192 -7.347 -4.433 1.00 72.34 C ATOM 119 C VAL A 8 4.226 -6.363 -4.995 1.00 14.15 C ATOM 120 O VAL A 8 5.397 -6.408 -4.598 1.00 72.33 O ATOM 121 CB VAL A 8 2.962 -7.045 -2.901 1.00 35.33 C ATOM 122 CG1 VAL A 8 1.998 -5.854 -2.700 1.00 62.44 C ATOM 123 CG2 VAL A 8 2.490 -8.299 -2.132 1.00 24.33 C ATOM 0 H VAL A 8 4.406 -8.998 -3.992 1.00 4.24 H new ATOM 0 HA VAL A 8 2.233 -7.238 -4.940 1.00 72.34 H new ATOM 0 HB VAL A 8 3.926 -6.759 -2.479 1.00 35.33 H new ATOM 0 HG11 VAL A 8 1.861 -5.673 -1.634 1.00 62.44 H new ATOM 0 HG12 VAL A 8 2.417 -4.964 -3.169 1.00 62.44 H new ATOM 0 HG13 VAL A 8 1.035 -6.085 -3.155 1.00 62.44 H new ATOM 0 HG21 VAL A 8 2.343 -8.048 -1.081 1.00 24.33 H new ATOM 0 HG22 VAL A 8 1.550 -8.653 -2.555 1.00 24.33 H new ATOM 0 HG23 VAL A 8 3.243 -9.082 -2.216 1.00 24.33 H new ATOM 133 N GLU A 9 3.803 -5.503 -5.930 1.00 44.41 N ATOM 134 CA GLU A 9 4.658 -4.470 -6.524 1.00 25.02 C ATOM 135 C GLU A 9 4.097 -3.089 -6.137 1.00 64.11 C ATOM 136 O GLU A 9 3.104 -2.626 -6.709 1.00 2.33 O ATOM 137 CB GLU A 9 4.708 -4.655 -8.063 1.00 2.34 C ATOM 138 CG GLU A 9 5.704 -3.728 -8.790 1.00 61.40 C ATOM 139 CD GLU A 9 5.661 -3.873 -10.321 1.00 41.20 C ATOM 140 OE1 GLU A 9 6.180 -4.884 -10.850 1.00 22.33 O ATOM 141 OE2 GLU A 9 5.116 -2.978 -11.006 1.00 52.10 O ATOM 0 H GLU A 9 2.851 -5.505 -6.297 1.00 44.41 H new ATOM 0 HA GLU A 9 5.678 -4.552 -6.149 1.00 25.02 H new ATOM 0 HB2 GLU A 9 4.969 -5.690 -8.283 1.00 2.34 H new ATOM 0 HB3 GLU A 9 3.711 -4.484 -8.469 1.00 2.34 H new ATOM 0 HG2 GLU A 9 5.488 -2.693 -8.523 1.00 61.40 H new ATOM 0 HG3 GLU A 9 6.713 -3.944 -8.439 1.00 61.40 H new ATOM 148 N ILE A 10 4.724 -2.440 -5.145 1.00 33.34 N ATOM 149 CA ILE A 10 4.249 -1.146 -4.629 1.00 24.14 C ATOM 150 C ILE A 10 4.929 -0.013 -5.409 1.00 14.41 C ATOM 151 O ILE A 10 6.155 0.053 -5.469 1.00 32.51 O ATOM 152 CB ILE A 10 4.570 -0.977 -3.100 1.00 31.52 C ATOM 153 CG1 ILE A 10 3.935 -2.122 -2.257 1.00 31.34 C ATOM 154 CG2 ILE A 10 4.114 0.409 -2.579 1.00 22.25 C ATOM 155 CD1 ILE A 10 2.423 -2.152 -2.246 1.00 54.50 C ATOM 0 H ILE A 10 5.563 -2.790 -4.683 1.00 33.34 H new ATOM 0 HA ILE A 10 3.167 -1.109 -4.756 1.00 24.14 H new ATOM 0 HB ILE A 10 5.652 -1.039 -2.986 1.00 31.52 H new ATOM 0 HG12 ILE A 10 4.298 -3.076 -2.638 1.00 31.34 H new ATOM 0 HG13 ILE A 10 4.288 -2.034 -1.230 1.00 31.34 H new ATOM 0 HG21 ILE A 10 4.350 0.495 -1.518 1.00 22.25 H new ATOM 0 HG22 ILE A 10 4.632 1.194 -3.131 1.00 22.25 H new ATOM 0 HG23 ILE A 10 3.039 0.515 -2.721 1.00 22.25 H new ATOM 0 HD11 ILE A 10 2.080 -2.985 -1.632 1.00 54.50 H new ATOM 0 HD12 ILE A 10 2.044 -1.217 -1.834 1.00 54.50 H new ATOM 0 HD13 ILE A 10 2.054 -2.276 -3.264 1.00 54.50 H new ATOM 167 N LYS A 11 4.115 0.852 -6.012 1.00 61.31 N ATOM 168 CA LYS A 11 4.570 2.005 -6.813 1.00 20.02 C ATOM 169 C LYS A 11 4.416 3.277 -5.964 1.00 44.23 C ATOM 170 O LYS A 11 3.289 3.647 -5.629 1.00 20.21 O ATOM 171 CB LYS A 11 3.702 2.139 -8.107 1.00 41.44 C ATOM 172 CG LYS A 11 3.283 0.797 -8.748 1.00 43.11 C ATOM 173 CD LYS A 11 4.424 0.077 -9.506 1.00 73.41 C ATOM 174 CE LYS A 11 4.729 0.720 -10.872 1.00 30.54 C ATOM 175 NZ LYS A 11 5.533 -0.186 -11.737 1.00 42.15 N ATOM 0 H LYS A 11 3.099 0.776 -5.961 1.00 61.31 H new ATOM 0 HA LYS A 11 5.611 1.862 -7.102 1.00 20.02 H new ATOM 0 HB2 LYS A 11 2.803 2.707 -7.867 1.00 41.44 H new ATOM 0 HB3 LYS A 11 4.259 2.719 -8.843 1.00 41.44 H new ATOM 0 HG2 LYS A 11 2.905 0.136 -7.968 1.00 43.11 H new ATOM 0 HG3 LYS A 11 2.459 0.978 -9.439 1.00 43.11 H new ATOM 0 HD2 LYS A 11 5.326 0.090 -8.894 1.00 73.41 H new ATOM 0 HD3 LYS A 11 4.153 -0.969 -9.654 1.00 73.41 H new ATOM 0 HE2 LYS A 11 3.794 0.969 -11.374 1.00 30.54 H new ATOM 0 HE3 LYS A 11 5.269 1.655 -10.722 1.00 30.54 H new ATOM 0 HZ1 LYS A 11 5.270 -0.039 -12.732 1.00 42.15 H new ATOM 0 HZ2 LYS A 11 6.544 0.021 -11.611 1.00 42.15 H new ATOM 0 HZ3 LYS A 11 5.347 -1.174 -11.472 1.00 42.15 H new ATOM 189 N ILE A 12 5.523 3.930 -5.588 1.00 72.52 N ATOM 190 CA ILE A 12 5.469 5.227 -4.876 1.00 42.30 C ATOM 191 C ILE A 12 5.848 6.349 -5.863 1.00 40.42 C ATOM 192 O ILE A 12 7.000 6.420 -6.315 1.00 25.40 O ATOM 193 CB ILE A 12 6.431 5.246 -3.621 1.00 14.31 C ATOM 194 CG1 ILE A 12 6.102 4.066 -2.638 1.00 2.43 C ATOM 195 CG2 ILE A 12 6.375 6.614 -2.883 1.00 35.01 C ATOM 196 CD1 ILE A 12 4.693 4.071 -2.073 1.00 54.20 C ATOM 0 H ILE A 12 6.468 3.588 -5.761 1.00 72.52 H new ATOM 0 HA ILE A 12 4.456 5.382 -4.504 1.00 42.30 H new ATOM 0 HB ILE A 12 7.448 5.107 -3.987 1.00 14.31 H new ATOM 0 HG12 ILE A 12 6.264 3.123 -3.160 1.00 2.43 H new ATOM 0 HG13 ILE A 12 6.809 4.097 -1.809 1.00 2.43 H new ATOM 0 HG21 ILE A 12 7.048 6.593 -2.026 1.00 35.01 H new ATOM 0 HG22 ILE A 12 6.681 7.408 -3.565 1.00 35.01 H new ATOM 0 HG23 ILE A 12 5.357 6.801 -2.541 1.00 35.01 H new ATOM 0 HD11 ILE A 12 4.565 3.218 -1.407 1.00 54.20 H new ATOM 0 HD12 ILE A 12 4.527 4.994 -1.517 1.00 54.20 H new ATOM 0 HD13 ILE A 12 3.973 4.005 -2.889 1.00 54.20 H new ATOM 208 N ASP A 13 4.884 7.223 -6.208 1.00 54.40 N ATOM 209 CA ASP A 13 5.143 8.338 -7.134 1.00 23.12 C ATOM 210 C ASP A 13 5.574 9.580 -6.339 1.00 53.14 C ATOM 211 O ASP A 13 4.762 10.225 -5.675 1.00 32.32 O ATOM 212 CB ASP A 13 3.903 8.646 -8.014 1.00 75.25 C ATOM 213 CG ASP A 13 4.121 9.854 -8.959 1.00 21.22 C ATOM 214 OD1 ASP A 13 4.864 9.715 -9.949 1.00 34.41 O ATOM 215 OD2 ASP A 13 3.551 10.941 -8.717 1.00 51.44 O ATOM 0 H ASP A 13 3.926 7.178 -5.862 1.00 54.40 H new ATOM 0 HA ASP A 13 5.950 8.048 -7.807 1.00 23.12 H new ATOM 0 HB2 ASP A 13 3.657 7.766 -8.608 1.00 75.25 H new ATOM 0 HB3 ASP A 13 3.047 8.845 -7.370 1.00 75.25 H new ATOM 220 N CYS A 14 6.879 9.872 -6.382 1.00 0.13 N ATOM 221 CA CYS A 14 7.465 11.097 -5.817 1.00 74.25 C ATOM 222 C CYS A 14 7.726 12.095 -6.963 1.00 13.04 C ATOM 223 O CYS A 14 8.651 12.913 -6.903 1.00 45.14 O ATOM 224 CB CYS A 14 8.769 10.725 -5.062 1.00 60.51 C ATOM 225 SG CYS A 14 9.597 12.122 -4.264 1.00 61.24 S ATOM 0 H CYS A 14 7.568 9.257 -6.815 1.00 0.13 H new ATOM 0 HA CYS A 14 6.787 11.569 -5.106 1.00 74.25 H new ATOM 0 HB2 CYS A 14 8.535 9.977 -4.305 1.00 60.51 H new ATOM 0 HB3 CYS A 14 9.461 10.261 -5.765 1.00 60.51 H new ATOM 0 HG CYS A 14 8.811 12.637 -3.365 1.00 61.24 H new ATOM 313 N THR A 21 9.422 3.541 -8.749 1.00 71.34 N ATOM 314 CA THR A 21 9.968 2.892 -7.558 1.00 50.42 C ATOM 315 C THR A 21 9.058 1.722 -7.189 1.00 1.34 C ATOM 316 O THR A 21 7.944 1.910 -6.689 1.00 64.15 O ATOM 317 CB THR A 21 10.128 3.892 -6.366 1.00 64.33 C ATOM 318 OG1 THR A 21 8.859 4.448 -5.994 1.00 14.44 O ATOM 319 CG2 THR A 21 11.096 5.036 -6.717 1.00 72.21 C ATOM 0 HA THR A 21 10.971 2.525 -7.777 1.00 50.42 H new ATOM 0 HB THR A 21 10.538 3.328 -5.528 1.00 64.33 H new ATOM 0 HG1 THR A 21 8.698 5.268 -6.506 1.00 14.44 H new ATOM 0 HG21 THR A 21 11.184 5.712 -5.867 1.00 72.21 H new ATOM 0 HG22 THR A 21 12.076 4.623 -6.955 1.00 72.21 H new ATOM 0 HG23 THR A 21 10.714 5.584 -7.578 1.00 72.21 H new ATOM 327 N THR A 22 9.538 0.517 -7.498 1.00 42.52 N ATOM 328 CA THR A 22 8.815 -0.733 -7.273 1.00 10.34 C ATOM 329 C THR A 22 9.384 -1.429 -6.048 1.00 54.35 C ATOM 330 O THR A 22 10.598 -1.644 -5.960 1.00 44.43 O ATOM 331 CB THR A 22 8.936 -1.665 -8.518 1.00 43.41 C ATOM 332 OG1 THR A 22 10.323 -1.864 -8.854 1.00 23.41 O ATOM 333 CG2 THR A 22 8.193 -1.084 -9.733 1.00 55.31 C ATOM 0 H THR A 22 10.457 0.381 -7.919 1.00 42.52 H new ATOM 0 HA THR A 22 7.761 -0.510 -7.111 1.00 10.34 H new ATOM 0 HB THR A 22 8.477 -2.620 -8.261 1.00 43.41 H new ATOM 0 HG1 THR A 22 10.862 -1.856 -8.036 1.00 23.41 H new ATOM 0 HG21 THR A 22 8.299 -1.760 -10.582 1.00 55.31 H new ATOM 0 HG22 THR A 22 7.136 -0.967 -9.492 1.00 55.31 H new ATOM 0 HG23 THR A 22 8.616 -0.112 -9.988 1.00 55.31 H new ATOM 341 N TYR A 23 8.514 -1.759 -5.104 1.00 32.31 N ATOM 342 CA TYR A 23 8.894 -2.436 -3.869 1.00 73.11 C ATOM 343 C TYR A 23 8.411 -3.875 -3.932 1.00 20.13 C ATOM 344 O TYR A 23 7.224 -4.120 -4.177 1.00 63.31 O ATOM 345 CB TYR A 23 8.305 -1.655 -2.673 1.00 22.22 C ATOM 346 CG TYR A 23 8.953 -0.271 -2.541 1.00 5.33 C ATOM 347 CD1 TYR A 23 8.441 0.855 -3.202 1.00 3.43 C ATOM 348 CD2 TYR A 23 10.138 -0.112 -1.819 1.00 51.21 C ATOM 349 CE1 TYR A 23 9.084 2.074 -3.142 1.00 0.22 C ATOM 350 CE2 TYR A 23 10.770 1.116 -1.744 1.00 53.31 C ATOM 351 CZ TYR A 23 10.244 2.199 -2.414 1.00 43.10 C ATOM 352 OH TYR A 23 10.901 3.410 -2.376 1.00 75.24 O ATOM 0 H TYR A 23 7.515 -1.563 -5.173 1.00 32.31 H new ATOM 0 HA TYR A 23 9.976 -2.461 -3.740 1.00 73.11 H new ATOM 0 HB2 TYR A 23 7.228 -1.545 -2.802 1.00 22.22 H new ATOM 0 HB3 TYR A 23 8.459 -2.221 -1.754 1.00 22.22 H new ATOM 0 HD1 TYR A 23 7.526 0.766 -3.769 1.00 3.43 H new ATOM 0 HD2 TYR A 23 10.568 -0.962 -1.311 1.00 51.21 H new ATOM 0 HE1 TYR A 23 8.678 2.927 -3.665 1.00 0.22 H new ATOM 0 HE2 TYR A 23 11.673 1.226 -1.162 1.00 53.31 H new ATOM 0 HH TYR A 23 10.412 4.065 -2.917 1.00 75.24 H new ATOM 362 N ASP A 24 9.346 -4.819 -3.725 1.00 43.20 N ATOM 363 CA ASP A 24 9.078 -6.264 -3.802 1.00 42.44 C ATOM 364 C ASP A 24 8.819 -6.807 -2.400 1.00 34.35 C ATOM 365 O ASP A 24 9.671 -6.685 -1.513 1.00 63.51 O ATOM 366 CB ASP A 24 10.270 -7.036 -4.425 1.00 3.45 C ATOM 367 CG ASP A 24 10.722 -6.467 -5.775 1.00 55.43 C ATOM 368 OD1 ASP A 24 10.055 -6.727 -6.793 1.00 73.34 O ATOM 369 OD2 ASP A 24 11.750 -5.756 -5.825 1.00 31.45 O ATOM 0 H ASP A 24 10.316 -4.598 -3.498 1.00 43.20 H new ATOM 0 HA ASP A 24 8.205 -6.407 -4.439 1.00 42.44 H new ATOM 0 HB2 ASP A 24 11.110 -7.016 -3.730 1.00 3.45 H new ATOM 0 HB3 ASP A 24 9.989 -8.081 -4.555 1.00 3.45 H new ATOM 374 N LEU A 25 7.637 -7.380 -2.210 1.00 74.15 N ATOM 375 CA LEU A 25 7.239 -8.020 -0.953 1.00 75.51 C ATOM 376 C LEU A 25 6.277 -9.167 -1.254 1.00 30.11 C ATOM 377 O LEU A 25 5.597 -9.166 -2.285 1.00 34.14 O ATOM 378 CB LEU A 25 6.617 -7.003 0.055 1.00 32.41 C ATOM 379 CG LEU A 25 5.405 -6.130 -0.425 1.00 1.10 C ATOM 380 CD1 LEU A 25 4.675 -5.480 0.761 1.00 13.02 C ATOM 381 CD2 LEU A 25 5.839 -5.037 -1.419 1.00 31.14 C ATOM 0 H LEU A 25 6.916 -7.416 -2.931 1.00 74.15 H new ATOM 0 HA LEU A 25 8.132 -8.417 -0.470 1.00 75.51 H new ATOM 0 HB2 LEU A 25 6.298 -7.560 0.936 1.00 32.41 H new ATOM 0 HB3 LEU A 25 7.409 -6.326 0.376 1.00 32.41 H new ATOM 0 HG LEU A 25 4.722 -6.810 -0.935 1.00 1.10 H new ATOM 0 HD11 LEU A 25 3.841 -4.883 0.392 1.00 13.02 H new ATOM 0 HD12 LEU A 25 4.298 -6.257 1.426 1.00 13.02 H new ATOM 0 HD13 LEU A 25 5.367 -4.839 1.307 1.00 13.02 H new ATOM 0 HD21 LEU A 25 4.968 -4.457 -1.725 1.00 31.14 H new ATOM 0 HD22 LEU A 25 6.564 -4.378 -0.942 1.00 31.14 H new ATOM 0 HD23 LEU A 25 6.292 -5.501 -2.295 1.00 31.14 H new ATOM 393 N TYR A 26 6.265 -10.166 -0.366 1.00 0.12 N ATOM 394 CA TYR A 26 5.477 -11.392 -0.527 1.00 63.31 C ATOM 395 C TYR A 26 4.715 -11.664 0.769 1.00 74.52 C ATOM 396 O TYR A 26 5.236 -11.400 1.865 1.00 41.23 O ATOM 397 CB TYR A 26 6.410 -12.586 -0.887 1.00 4.12 C ATOM 398 CG TYR A 26 7.182 -12.399 -2.207 1.00 3.42 C ATOM 399 CD1 TYR A 26 6.621 -12.787 -3.428 1.00 14.12 C ATOM 400 CD2 TYR A 26 8.451 -11.799 -2.236 1.00 0.42 C ATOM 401 CE1 TYR A 26 7.293 -12.584 -4.616 1.00 21.52 C ATOM 402 CE2 TYR A 26 9.125 -11.603 -3.429 1.00 70.22 C ATOM 403 CZ TYR A 26 8.539 -11.990 -4.614 1.00 63.32 C ATOM 404 OH TYR A 26 9.196 -11.783 -5.808 1.00 13.24 O ATOM 0 H TYR A 26 6.810 -10.146 0.496 1.00 0.12 H new ATOM 0 HA TYR A 26 4.763 -11.270 -1.341 1.00 63.31 H new ATOM 0 HB2 TYR A 26 7.125 -12.733 -0.077 1.00 4.12 H new ATOM 0 HB3 TYR A 26 5.812 -13.495 -0.953 1.00 4.12 H new ATOM 0 HD1 TYR A 26 5.647 -13.253 -3.441 1.00 14.12 H new ATOM 0 HD2 TYR A 26 8.910 -11.485 -1.310 1.00 0.42 H new ATOM 0 HE1 TYR A 26 6.843 -12.890 -5.549 1.00 21.52 H new ATOM 0 HE2 TYR A 26 10.105 -11.149 -3.431 1.00 70.22 H new ATOM 0 HH TYR A 26 10.060 -11.354 -5.636 1.00 13.24 H new ATOM 414 N PHE A 27 3.478 -12.170 0.641 1.00 4.43 N ATOM 415 CA PHE A 27 2.622 -12.514 1.792 1.00 60.52 C ATOM 416 C PHE A 27 2.350 -14.017 1.785 1.00 13.31 C ATOM 417 O PHE A 27 2.228 -14.623 0.715 1.00 23.21 O ATOM 418 CB PHE A 27 1.269 -11.740 1.761 1.00 64.41 C ATOM 419 CG PHE A 27 1.378 -10.222 1.656 1.00 44.32 C ATOM 420 CD1 PHE A 27 2.401 -9.528 2.304 1.00 5.44 C ATOM 421 CD2 PHE A 27 0.448 -9.491 0.913 1.00 33.41 C ATOM 422 CE1 PHE A 27 2.492 -8.160 2.210 1.00 61.13 C ATOM 423 CE2 PHE A 27 0.542 -8.119 0.826 1.00 24.11 C ATOM 424 CZ PHE A 27 1.568 -7.460 1.468 1.00 65.54 C ATOM 0 H PHE A 27 3.041 -12.353 -0.263 1.00 4.43 H new ATOM 0 HA PHE A 27 3.149 -12.226 2.702 1.00 60.52 H new ATOM 0 HB2 PHE A 27 0.683 -12.103 0.917 1.00 64.41 H new ATOM 0 HB3 PHE A 27 0.711 -11.984 2.665 1.00 64.41 H new ATOM 0 HD1 PHE A 27 3.130 -10.073 2.886 1.00 5.44 H new ATOM 0 HD2 PHE A 27 -0.352 -10.006 0.402 1.00 33.41 H new ATOM 0 HE1 PHE A 27 3.288 -7.635 2.718 1.00 61.13 H new ATOM 0 HE2 PHE A 27 -0.187 -7.562 0.256 1.00 24.11 H new ATOM 0 HZ PHE A 27 1.648 -6.386 1.388 1.00 65.54 H new ATOM 434 N SER A 28 2.239 -14.589 2.981 1.00 44.33 N ATOM 435 CA SER A 28 1.914 -16.006 3.178 1.00 70.20 C ATOM 436 C SER A 28 1.261 -16.149 4.558 1.00 64.04 C ATOM 437 O SER A 28 0.144 -16.661 4.686 1.00 25.23 O ATOM 438 CB SER A 28 3.188 -16.879 3.047 1.00 34.12 C ATOM 439 OG SER A 28 2.898 -18.257 3.177 1.00 32.41 O ATOM 0 H SER A 28 2.373 -14.078 3.854 1.00 44.33 H new ATOM 0 HA SER A 28 1.220 -16.354 2.413 1.00 70.20 H new ATOM 0 HB2 SER A 28 3.656 -16.696 2.080 1.00 34.12 H new ATOM 0 HB3 SER A 28 3.909 -16.586 3.810 1.00 34.12 H new ATOM 0 HG SER A 28 3.725 -18.775 3.087 1.00 32.41 H new ATOM 445 N LYS A 29 1.981 -15.676 5.590 1.00 1.20 N ATOM 446 CA LYS A 29 1.434 -15.516 6.948 1.00 2.13 C ATOM 447 C LYS A 29 0.852 -14.092 7.055 1.00 65.43 C ATOM 448 O LYS A 29 1.378 -13.153 6.430 1.00 22.02 O ATOM 449 CB LYS A 29 2.523 -15.713 8.053 1.00 54.01 C ATOM 450 CG LYS A 29 3.175 -17.126 8.156 1.00 2.44 C ATOM 451 CD LYS A 29 4.075 -17.489 6.950 1.00 45.02 C ATOM 452 CE LYS A 29 4.845 -18.807 7.129 1.00 23.24 C ATOM 453 NZ LYS A 29 3.958 -19.979 7.345 1.00 34.11 N ATOM 0 H LYS A 29 2.958 -15.394 5.506 1.00 1.20 H new ATOM 0 HA LYS A 29 0.671 -16.277 7.110 1.00 2.13 H new ATOM 0 HB2 LYS A 29 3.316 -14.985 7.882 1.00 54.01 H new ATOM 0 HB3 LYS A 29 2.075 -15.475 9.018 1.00 54.01 H new ATOM 0 HG2 LYS A 29 3.769 -17.176 9.069 1.00 2.44 H new ATOM 0 HG3 LYS A 29 2.387 -17.874 8.247 1.00 2.44 H new ATOM 0 HD2 LYS A 29 3.457 -17.558 6.055 1.00 45.02 H new ATOM 0 HD3 LYS A 29 4.788 -16.681 6.784 1.00 45.02 H new ATOM 0 HE2 LYS A 29 5.461 -18.983 6.247 1.00 23.24 H new ATOM 0 HE3 LYS A 29 5.523 -18.712 7.977 1.00 23.24 H new ATOM 0 HZ1 LYS A 29 4.536 -20.836 7.459 1.00 34.11 H new ATOM 0 HZ2 LYS A 29 3.388 -19.830 8.202 1.00 34.11 H new ATOM 0 HZ3 LYS A 29 3.328 -20.093 6.526 1.00 34.11 H new ATOM 467 N ALA A 30 -0.222 -13.947 7.854 1.00 34.32 N ATOM 468 CA ALA A 30 -0.845 -12.638 8.177 1.00 54.05 C ATOM 469 C ALA A 30 0.120 -11.761 8.991 1.00 33.23 C ATOM 470 O ALA A 30 0.059 -10.530 8.931 1.00 44.32 O ATOM 471 CB ALA A 30 -2.153 -12.855 8.959 1.00 1.01 C ATOM 0 H ALA A 30 -0.689 -14.737 8.299 1.00 34.32 H new ATOM 0 HA ALA A 30 -1.070 -12.123 7.243 1.00 54.05 H new ATOM 0 HB1 ALA A 30 -2.602 -11.890 9.191 1.00 1.01 H new ATOM 0 HB2 ALA A 30 -2.845 -13.442 8.355 1.00 1.01 H new ATOM 0 HB3 ALA A 30 -1.939 -13.388 9.885 1.00 1.01 H new ATOM 477 N GLU A 31 1.010 -12.436 9.743 1.00 71.21 N ATOM 478 CA GLU A 31 2.051 -11.797 10.567 1.00 43.10 C ATOM 479 C GLU A 31 3.102 -11.105 9.683 1.00 24.24 C ATOM 480 O GLU A 31 3.578 -10.015 10.008 1.00 71.53 O ATOM 481 CB GLU A 31 2.729 -12.852 11.466 1.00 52.43 C ATOM 482 CG GLU A 31 1.746 -13.667 12.327 1.00 43.21 C ATOM 483 CD GLU A 31 2.452 -14.720 13.184 1.00 63.11 C ATOM 484 OE1 GLU A 31 2.985 -15.691 12.608 1.00 71.04 O ATOM 485 OE2 GLU A 31 2.489 -14.580 14.426 1.00 43.35 O ATOM 0 H GLU A 31 1.025 -13.455 9.795 1.00 71.21 H new ATOM 0 HA GLU A 31 1.579 -11.040 11.193 1.00 43.10 H new ATOM 0 HB2 GLU A 31 3.300 -13.536 10.838 1.00 52.43 H new ATOM 0 HB3 GLU A 31 3.442 -12.352 12.122 1.00 52.43 H new ATOM 0 HG2 GLU A 31 1.188 -12.991 12.975 1.00 43.21 H new ATOM 0 HG3 GLU A 31 1.021 -14.158 11.678 1.00 43.21 H new ATOM 492 N GLU A 32 3.449 -11.769 8.556 1.00 55.31 N ATOM 493 CA GLU A 32 4.358 -11.201 7.546 1.00 71.45 C ATOM 494 C GLU A 32 3.704 -9.990 6.891 1.00 23.14 C ATOM 495 O GLU A 32 4.340 -8.959 6.757 1.00 44.22 O ATOM 496 CB GLU A 32 4.738 -12.238 6.467 1.00 24.10 C ATOM 497 CG GLU A 32 5.472 -13.472 7.010 1.00 73.13 C ATOM 498 CD GLU A 32 5.897 -14.415 5.890 1.00 52.12 C ATOM 499 OE1 GLU A 32 5.004 -14.914 5.173 1.00 42.30 O ATOM 500 OE2 GLU A 32 7.111 -14.629 5.681 1.00 74.34 O ATOM 0 H GLU A 32 3.109 -12.703 8.327 1.00 55.31 H new ATOM 0 HA GLU A 32 5.275 -10.900 8.053 1.00 71.45 H new ATOM 0 HB2 GLU A 32 3.831 -12.564 5.957 1.00 24.10 H new ATOM 0 HB3 GLU A 32 5.368 -11.754 5.720 1.00 24.10 H new ATOM 0 HG2 GLU A 32 6.351 -13.155 7.571 1.00 73.13 H new ATOM 0 HG3 GLU A 32 4.824 -14.004 7.707 1.00 73.13 H new ATOM 507 N ALA A 33 2.406 -10.134 6.532 1.00 23.24 N ATOM 508 CA ALA A 33 1.619 -9.042 5.936 1.00 72.12 C ATOM 509 C ALA A 33 1.661 -7.801 6.844 1.00 30.44 C ATOM 510 O ALA A 33 1.927 -6.710 6.373 1.00 32.41 O ATOM 511 CB ALA A 33 0.172 -9.491 5.653 1.00 40.21 C ATOM 0 H ALA A 33 1.885 -11.003 6.648 1.00 23.24 H new ATOM 0 HA ALA A 33 2.064 -8.775 4.978 1.00 72.12 H new ATOM 0 HB1 ALA A 33 -0.386 -8.664 5.213 1.00 40.21 H new ATOM 0 HB2 ALA A 33 0.181 -10.332 4.960 1.00 40.21 H new ATOM 0 HB3 ALA A 33 -0.304 -9.794 6.586 1.00 40.21 H new ATOM 517 N LYS A 34 1.515 -8.021 8.161 1.00 4.23 N ATOM 518 CA LYS A 34 1.560 -6.949 9.173 1.00 5.24 C ATOM 519 C LYS A 34 2.954 -6.290 9.292 1.00 41.25 C ATOM 520 O LYS A 34 3.055 -5.087 9.578 1.00 44.52 O ATOM 521 CB LYS A 34 1.118 -7.518 10.551 1.00 12.43 C ATOM 522 CG LYS A 34 -0.419 -7.774 10.705 1.00 20.32 C ATOM 523 CD LYS A 34 -1.113 -6.766 11.653 1.00 4.51 C ATOM 524 CE LYS A 34 -0.946 -5.296 11.216 1.00 64.25 C ATOM 525 NZ LYS A 34 -1.537 -4.366 12.208 1.00 63.40 N ATOM 0 H LYS A 34 1.362 -8.949 8.556 1.00 4.23 H new ATOM 0 HA LYS A 34 0.873 -6.168 8.848 1.00 5.24 H new ATOM 0 HB2 LYS A 34 1.645 -8.456 10.725 1.00 12.43 H new ATOM 0 HB3 LYS A 34 1.435 -6.825 11.331 1.00 12.43 H new ATOM 0 HG2 LYS A 34 -0.890 -7.723 9.723 1.00 20.32 H new ATOM 0 HG3 LYS A 34 -0.577 -8.785 11.081 1.00 20.32 H new ATOM 0 HD2 LYS A 34 -2.176 -7.002 11.707 1.00 4.51 H new ATOM 0 HD3 LYS A 34 -0.708 -6.886 12.658 1.00 4.51 H new ATOM 0 HE2 LYS A 34 0.113 -5.071 11.090 1.00 64.25 H new ATOM 0 HE3 LYS A 34 -1.422 -5.147 10.247 1.00 64.25 H new ATOM 0 HZ1 LYS A 34 -1.408 -3.386 11.885 1.00 63.40 H new ATOM 0 HZ2 LYS A 34 -2.552 -4.566 12.310 1.00 63.40 H new ATOM 0 HZ3 LYS A 34 -1.066 -4.492 13.126 1.00 63.40 H new ATOM 539 N GLU A 35 4.010 -7.079 9.079 1.00 63.13 N ATOM 540 CA GLU A 35 5.399 -6.608 9.179 1.00 42.34 C ATOM 541 C GLU A 35 5.695 -5.687 7.975 1.00 24.33 C ATOM 542 O GLU A 35 6.160 -4.566 8.143 1.00 14.14 O ATOM 543 CB GLU A 35 6.347 -7.841 9.240 1.00 5.10 C ATOM 544 CG GLU A 35 7.751 -7.602 9.857 1.00 21.12 C ATOM 545 CD GLU A 35 8.717 -6.767 8.995 1.00 23.20 C ATOM 546 OE1 GLU A 35 9.234 -7.308 7.991 1.00 10.33 O ATOM 547 OE2 GLU A 35 8.962 -5.580 9.324 1.00 22.34 O ATOM 0 H GLU A 35 3.929 -8.065 8.832 1.00 63.13 H new ATOM 0 HA GLU A 35 5.561 -6.028 10.087 1.00 42.34 H new ATOM 0 HB2 GLU A 35 5.851 -8.625 9.812 1.00 5.10 H new ATOM 0 HB3 GLU A 35 6.479 -8.221 8.227 1.00 5.10 H new ATOM 0 HG2 GLU A 35 7.627 -7.105 10.819 1.00 21.12 H new ATOM 0 HG3 GLU A 35 8.212 -8.570 10.055 1.00 21.12 H new ATOM 554 N LEU A 36 5.341 -6.175 6.773 1.00 22.05 N ATOM 555 CA LEU A 36 5.415 -5.402 5.515 1.00 33.04 C ATOM 556 C LEU A 36 4.480 -4.175 5.541 1.00 32.42 C ATOM 557 O LEU A 36 4.763 -3.172 4.888 1.00 54.24 O ATOM 558 CB LEU A 36 5.098 -6.308 4.287 1.00 74.20 C ATOM 559 CG LEU A 36 6.249 -7.260 3.778 1.00 51.24 C ATOM 560 CD1 LEU A 36 7.579 -6.494 3.563 1.00 72.44 C ATOM 561 CD2 LEU A 36 6.458 -8.499 4.678 1.00 42.32 C ATOM 0 H LEU A 36 4.992 -7.125 6.644 1.00 22.05 H new ATOM 0 HA LEU A 36 6.437 -5.035 5.420 1.00 33.04 H new ATOM 0 HB2 LEU A 36 4.235 -6.925 4.536 1.00 74.20 H new ATOM 0 HB3 LEU A 36 4.801 -5.664 3.459 1.00 74.20 H new ATOM 0 HG LEU A 36 5.915 -7.634 2.810 1.00 51.24 H new ATOM 0 HD11 LEU A 36 8.345 -7.186 3.213 1.00 72.44 H new ATOM 0 HD12 LEU A 36 7.431 -5.710 2.820 1.00 72.44 H new ATOM 0 HD13 LEU A 36 7.898 -6.047 4.505 1.00 72.44 H new ATOM 0 HD21 LEU A 36 7.263 -9.112 4.272 1.00 42.32 H new ATOM 0 HD22 LEU A 36 6.720 -8.177 5.686 1.00 42.32 H new ATOM 0 HD23 LEU A 36 5.539 -9.084 4.711 1.00 42.32 H new ATOM 573 N LEU A 37 3.362 -4.292 6.279 1.00 21.12 N ATOM 574 CA LEU A 37 2.349 -3.222 6.424 1.00 34.40 C ATOM 575 C LEU A 37 2.959 -1.936 6.975 1.00 54.43 C ATOM 576 O LEU A 37 2.815 -0.872 6.370 1.00 34.12 O ATOM 577 CB LEU A 37 1.183 -3.751 7.308 1.00 61.53 C ATOM 578 CG LEU A 37 0.051 -2.748 7.770 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.343 -3.420 7.721 1.00 54.33 C ATOM 580 CD2 LEU A 37 0.328 -2.202 9.201 1.00 70.12 C ATOM 0 H LEU A 37 3.130 -5.139 6.798 1.00 21.12 H new ATOM 0 HA LEU A 37 1.954 -2.962 5.442 1.00 34.40 H new ATOM 0 HB2 LEU A 37 0.700 -4.563 6.764 1.00 61.53 H new ATOM 0 HB3 LEU A 37 1.623 -4.186 8.206 1.00 61.53 H new ATOM 0 HG LEU A 37 0.059 -1.909 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.102 -2.707 8.044 1.00 54.33 H new ATOM 0 HD12 LEU A 37 -1.557 -3.741 6.701 1.00 54.33 H new ATOM 0 HD13 LEU A 37 -1.353 -4.286 8.383 1.00 54.33 H new ATOM 0 HD21 LEU A 37 -0.468 -1.515 9.489 1.00 70.12 H new ATOM 0 HD22 LEU A 37 0.364 -3.032 9.906 1.00 70.12 H new ATOM 0 HD23 LEU A 37 1.282 -1.675 9.211 1.00 70.12 H new ATOM 592 N LYS A 38 3.661 -2.061 8.113 1.00 20.32 N ATOM 593 CA LYS A 38 4.313 -0.919 8.769 1.00 32.44 C ATOM 594 C LYS A 38 5.518 -0.424 7.949 1.00 25.50 C ATOM 595 O LYS A 38 5.823 0.759 7.977 1.00 34.22 O ATOM 596 CB LYS A 38 4.712 -1.274 10.220 1.00 33.41 C ATOM 597 CG LYS A 38 5.654 -2.481 10.362 1.00 71.25 C ATOM 598 CD LYS A 38 5.956 -2.828 11.835 1.00 45.32 C ATOM 599 CE LYS A 38 6.878 -4.051 11.968 1.00 3.04 C ATOM 600 NZ LYS A 38 8.190 -3.845 11.297 1.00 72.41 N ATOM 0 H LYS A 38 3.791 -2.948 8.599 1.00 20.32 H new ATOM 0 HA LYS A 38 3.597 -0.098 8.818 1.00 32.44 H new ATOM 0 HB2 LYS A 38 5.190 -0.405 10.672 1.00 33.41 H new ATOM 0 HB3 LYS A 38 3.805 -1.472 10.791 1.00 33.41 H new ATOM 0 HG2 LYS A 38 5.206 -3.346 9.873 1.00 71.25 H new ATOM 0 HG3 LYS A 38 6.589 -2.270 9.843 1.00 71.25 H new ATOM 0 HD2 LYS A 38 6.422 -1.970 12.320 1.00 45.32 H new ATOM 0 HD3 LYS A 38 5.020 -3.022 12.360 1.00 45.32 H new ATOM 0 HE2 LYS A 38 7.042 -4.266 13.024 1.00 3.04 H new ATOM 0 HE3 LYS A 38 6.385 -4.923 11.538 1.00 3.04 H new ATOM 0 HZ1 LYS A 38 8.214 -4.384 10.408 1.00 72.41 H new ATOM 0 HZ2 LYS A 38 8.320 -2.834 11.092 1.00 72.41 H new ATOM 0 HZ3 LYS A 38 8.954 -4.173 11.921 1.00 72.41 H new ATOM 614 N LYS A 39 6.187 -1.337 7.204 1.00 13.35 N ATOM 615 CA LYS A 39 7.349 -0.973 6.360 1.00 40.30 C ATOM 616 C LYS A 39 6.943 -0.034 5.210 1.00 43.33 C ATOM 617 O LYS A 39 7.459 1.078 5.107 1.00 12.33 O ATOM 618 CB LYS A 39 8.038 -2.234 5.777 1.00 55.51 C ATOM 619 CG LYS A 39 8.657 -3.179 6.827 1.00 43.32 C ATOM 620 CD LYS A 39 9.351 -4.396 6.174 1.00 13.41 C ATOM 621 CE LYS A 39 10.596 -4.008 5.366 1.00 13.23 C ATOM 622 NZ LYS A 39 11.650 -3.425 6.237 1.00 71.41 N ATOM 0 H LYS A 39 5.942 -2.327 7.171 1.00 13.35 H new ATOM 0 HA LYS A 39 8.054 -0.449 7.006 1.00 40.30 H new ATOM 0 HB2 LYS A 39 7.307 -2.793 5.193 1.00 55.51 H new ATOM 0 HB3 LYS A 39 8.821 -1.917 5.088 1.00 55.51 H new ATOM 0 HG2 LYS A 39 9.381 -2.629 7.428 1.00 43.32 H new ATOM 0 HG3 LYS A 39 7.878 -3.527 7.505 1.00 43.32 H new ATOM 0 HD2 LYS A 39 9.634 -5.107 6.950 1.00 13.41 H new ATOM 0 HD3 LYS A 39 8.643 -4.904 5.520 1.00 13.41 H new ATOM 0 HE2 LYS A 39 10.989 -4.888 4.856 1.00 13.23 H new ATOM 0 HE3 LYS A 39 10.321 -3.289 4.595 1.00 13.23 H new ATOM 0 HZ1 LYS A 39 12.538 -3.346 5.702 1.00 71.41 H new ATOM 0 HZ2 LYS A 39 11.353 -2.481 6.556 1.00 71.41 H new ATOM 0 HZ3 LYS A 39 11.797 -4.039 7.063 1.00 71.41 H new ATOM 636 N VAL A 40 5.962 -0.469 4.403 1.00 31.53 N ATOM 637 CA VAL A 40 5.518 0.264 3.203 1.00 12.13 C ATOM 638 C VAL A 40 4.839 1.593 3.587 1.00 60.41 C ATOM 639 O VAL A 40 5.118 2.631 2.986 1.00 61.10 O ATOM 640 CB VAL A 40 4.553 -0.637 2.340 1.00 41.11 C ATOM 641 CG1 VAL A 40 3.945 0.137 1.149 1.00 33.22 C ATOM 642 CG2 VAL A 40 5.294 -1.911 1.853 1.00 4.33 C ATOM 0 H VAL A 40 5.453 -1.339 4.563 1.00 31.53 H new ATOM 0 HA VAL A 40 6.395 0.504 2.601 1.00 12.13 H new ATOM 0 HB VAL A 40 3.724 -0.937 2.981 1.00 41.11 H new ATOM 0 HG11 VAL A 40 3.288 -0.523 0.583 1.00 33.22 H new ATOM 0 HG12 VAL A 40 3.373 0.987 1.521 1.00 33.22 H new ATOM 0 HG13 VAL A 40 4.745 0.494 0.501 1.00 33.22 H new ATOM 0 HG21 VAL A 40 4.615 -2.522 1.259 1.00 4.33 H new ATOM 0 HG22 VAL A 40 6.150 -1.623 1.243 1.00 4.33 H new ATOM 0 HG23 VAL A 40 5.638 -2.483 2.714 1.00 4.33 H new ATOM 652 N ALA A 41 3.997 1.544 4.627 1.00 23.22 N ATOM 653 CA ALA A 41 3.193 2.696 5.064 1.00 73.22 C ATOM 654 C ALA A 41 4.052 3.818 5.699 1.00 13.30 C ATOM 655 O ALA A 41 3.707 5.002 5.586 1.00 23.41 O ATOM 656 CB ALA A 41 2.104 2.217 6.019 1.00 75.11 C ATOM 0 H ALA A 41 3.853 0.706 5.190 1.00 23.22 H new ATOM 0 HA ALA A 41 2.731 3.141 4.183 1.00 73.22 H new ATOM 0 HB1 ALA A 41 1.506 3.068 6.345 1.00 75.11 H new ATOM 0 HB2 ALA A 41 1.463 1.498 5.509 1.00 75.11 H new ATOM 0 HB3 ALA A 41 2.563 1.743 6.886 1.00 75.11 H new ATOM 662 N GLU A 42 5.159 3.432 6.371 1.00 61.44 N ATOM 663 CA GLU A 42 6.136 4.395 6.921 1.00 73.54 C ATOM 664 C GLU A 42 6.979 5.006 5.796 1.00 14.24 C ATOM 665 O GLU A 42 7.050 6.231 5.666 1.00 32.23 O ATOM 666 CB GLU A 42 7.057 3.706 7.963 1.00 64.01 C ATOM 667 CG GLU A 42 6.406 3.443 9.339 1.00 30.32 C ATOM 668 CD GLU A 42 6.357 4.678 10.258 1.00 65.43 C ATOM 669 OE1 GLU A 42 5.373 5.441 10.209 1.00 54.24 O ATOM 670 OE2 GLU A 42 7.308 4.878 11.040 1.00 41.43 O ATOM 0 H GLU A 42 5.398 2.456 6.546 1.00 61.44 H new ATOM 0 HA GLU A 42 5.584 5.192 7.418 1.00 73.54 H new ATOM 0 HB2 GLU A 42 7.398 2.756 7.552 1.00 64.01 H new ATOM 0 HB3 GLU A 42 7.942 4.326 8.109 1.00 64.01 H new ATOM 0 HG2 GLU A 42 5.391 3.078 9.185 1.00 30.32 H new ATOM 0 HG3 GLU A 42 6.957 2.649 9.844 1.00 30.32 H new ATOM 677 N LYS A 43 7.596 4.126 4.976 1.00 53.34 N ATOM 678 CA LYS A 43 8.575 4.532 3.945 1.00 65.22 C ATOM 679 C LYS A 43 7.932 5.383 2.836 1.00 31.12 C ATOM 680 O LYS A 43 8.606 6.223 2.233 1.00 64.34 O ATOM 681 CB LYS A 43 9.298 3.302 3.326 1.00 24.14 C ATOM 682 CG LYS A 43 10.165 2.456 4.304 1.00 11.20 C ATOM 683 CD LYS A 43 11.156 3.283 5.194 1.00 30.22 C ATOM 684 CE LYS A 43 10.654 3.465 6.644 1.00 51.11 C ATOM 685 NZ LYS A 43 11.504 4.405 7.421 1.00 32.04 N ATOM 0 H LYS A 43 7.430 3.120 5.010 1.00 53.34 H new ATOM 0 HA LYS A 43 9.316 5.149 4.453 1.00 65.22 H new ATOM 0 HB2 LYS A 43 8.546 2.650 2.881 1.00 24.14 H new ATOM 0 HB3 LYS A 43 9.937 3.651 2.515 1.00 24.14 H new ATOM 0 HG2 LYS A 43 9.501 1.889 4.956 1.00 11.20 H new ATOM 0 HG3 LYS A 43 10.738 1.732 3.725 1.00 11.20 H new ATOM 0 HD2 LYS A 43 12.125 2.784 5.210 1.00 30.22 H new ATOM 0 HD3 LYS A 43 11.310 4.263 4.743 1.00 30.22 H new ATOM 0 HE2 LYS A 43 9.629 3.835 6.628 1.00 51.11 H new ATOM 0 HE3 LYS A 43 10.636 2.497 7.144 1.00 51.11 H new ATOM 0 HZ1 LYS A 43 11.343 4.259 8.438 1.00 32.04 H new ATOM 0 HZ2 LYS A 43 12.505 4.231 7.200 1.00 32.04 H new ATOM 0 HZ3 LYS A 43 11.259 5.384 7.169 1.00 32.04 H new ATOM 699 N ALA A 44 6.636 5.140 2.572 1.00 73.03 N ATOM 700 CA ALA A 44 5.844 5.947 1.634 1.00 11.40 C ATOM 701 C ALA A 44 5.689 7.374 2.175 1.00 70.43 C ATOM 702 O ALA A 44 6.017 8.337 1.482 1.00 21.42 O ATOM 703 CB ALA A 44 4.471 5.302 1.395 1.00 25.30 C ATOM 0 H ALA A 44 6.111 4.379 3.003 1.00 73.03 H new ATOM 0 HA ALA A 44 6.366 5.992 0.678 1.00 11.40 H new ATOM 0 HB1 ALA A 44 3.898 5.913 0.698 1.00 25.30 H new ATOM 0 HB2 ALA A 44 4.605 4.304 0.977 1.00 25.30 H new ATOM 0 HB3 ALA A 44 3.933 5.230 2.340 1.00 25.30 H new ATOM 709 N ALA A 45 5.244 7.473 3.446 1.00 22.14 N ATOM 710 CA ALA A 45 5.031 8.756 4.155 1.00 12.33 C ATOM 711 C ALA A 45 6.323 9.595 4.238 1.00 42.41 C ATOM 712 O ALA A 45 6.266 10.837 4.238 1.00 63.15 O ATOM 713 CB ALA A 45 4.473 8.486 5.556 1.00 54.41 C ATOM 0 H ALA A 45 5.020 6.657 4.016 1.00 22.14 H new ATOM 0 HA ALA A 45 4.310 9.339 3.582 1.00 12.33 H new ATOM 0 HB1 ALA A 45 4.318 9.432 6.074 1.00 54.41 H new ATOM 0 HB2 ALA A 45 3.523 7.957 5.474 1.00 54.41 H new ATOM 0 HB3 ALA A 45 5.180 7.876 6.118 1.00 54.41 H new ATOM 719 N ASP A 46 7.478 8.898 4.294 1.00 15.23 N ATOM 720 CA ASP A 46 8.807 9.537 4.308 1.00 73.32 C ATOM 721 C ASP A 46 9.088 10.276 2.998 1.00 2.32 C ATOM 722 O ASP A 46 9.728 11.321 3.010 1.00 3.45 O ATOM 723 CB ASP A 46 9.929 8.497 4.558 1.00 10.21 C ATOM 724 CG ASP A 46 9.914 7.908 5.977 1.00 23.15 C ATOM 725 OD1 ASP A 46 9.684 8.669 6.939 1.00 35.04 O ATOM 726 OD2 ASP A 46 10.175 6.701 6.141 1.00 5.35 O ATOM 0 H ASP A 46 7.513 7.879 4.331 1.00 15.23 H new ATOM 0 HA ASP A 46 8.800 10.258 5.125 1.00 73.32 H new ATOM 0 HB2 ASP A 46 9.830 7.687 3.836 1.00 10.21 H new ATOM 0 HB3 ASP A 46 10.896 8.967 4.379 1.00 10.21 H new ATOM 731 N LYS A 47 8.616 9.707 1.869 1.00 75.45 N ATOM 732 CA LYS A 47 8.787 10.308 0.520 1.00 30.14 C ATOM 733 C LYS A 47 7.897 11.553 0.378 1.00 22.12 C ATOM 734 O LYS A 47 8.321 12.583 -0.161 1.00 11.23 O ATOM 735 CB LYS A 47 8.460 9.276 -0.602 1.00 62.44 C ATOM 736 CG LYS A 47 9.205 7.933 -0.453 1.00 70.40 C ATOM 737 CD LYS A 47 10.751 8.076 -0.453 1.00 40.31 C ATOM 738 CE LYS A 47 11.455 6.768 -0.054 1.00 73.24 C ATOM 739 NZ LYS A 47 11.063 5.636 -0.926 1.00 1.03 N ATOM 0 H LYS A 47 8.108 8.823 1.861 1.00 75.45 H new ATOM 0 HA LYS A 47 9.830 10.604 0.410 1.00 30.14 H new ATOM 0 HB2 LYS A 47 7.387 9.086 -0.606 1.00 62.44 H new ATOM 0 HB3 LYS A 47 8.710 9.714 -1.569 1.00 62.44 H new ATOM 0 HG2 LYS A 47 8.893 7.455 0.476 1.00 70.40 H new ATOM 0 HG3 LYS A 47 8.910 7.271 -1.267 1.00 70.40 H new ATOM 0 HD2 LYS A 47 11.086 8.379 -1.445 1.00 40.31 H new ATOM 0 HD3 LYS A 47 11.041 8.868 0.237 1.00 40.31 H new ATOM 0 HE2 LYS A 47 12.535 6.908 -0.105 1.00 73.24 H new ATOM 0 HE3 LYS A 47 11.214 6.528 0.981 1.00 73.24 H new ATOM 0 HZ1 LYS A 47 11.810 4.913 -0.913 1.00 1.03 H new ATOM 0 HZ2 LYS A 47 10.174 5.222 -0.579 1.00 1.03 H new ATOM 0 HZ3 LYS A 47 10.929 5.978 -1.899 1.00 1.03 H new ATOM 753 N ILE A 48 6.675 11.432 0.932 1.00 5.34 N ATOM 754 CA ILE A 48 5.643 12.483 0.905 1.00 34.32 C ATOM 755 C ILE A 48 6.098 13.721 1.710 1.00 32.13 C ATOM 756 O ILE A 48 5.701 14.844 1.410 1.00 55.13 O ATOM 757 CB ILE A 48 4.252 11.950 1.435 1.00 60.31 C ATOM 758 CG1 ILE A 48 3.904 10.579 0.774 1.00 12.54 C ATOM 759 CG2 ILE A 48 3.120 12.977 1.160 1.00 21.10 C ATOM 760 CD1 ILE A 48 2.685 9.878 1.335 1.00 4.41 C ATOM 0 H ILE A 48 6.374 10.587 1.418 1.00 5.34 H new ATOM 0 HA ILE A 48 5.506 12.779 -0.135 1.00 34.32 H new ATOM 0 HB ILE A 48 4.335 11.811 2.513 1.00 60.31 H new ATOM 0 HG12 ILE A 48 3.751 10.738 -0.294 1.00 12.54 H new ATOM 0 HG13 ILE A 48 4.763 9.916 0.878 1.00 12.54 H new ATOM 0 HG21 ILE A 48 2.174 12.585 1.535 1.00 21.10 H new ATOM 0 HG22 ILE A 48 3.349 13.915 1.665 1.00 21.10 H new ATOM 0 HG23 ILE A 48 3.041 13.152 0.087 1.00 21.10 H new ATOM 0 HD11 ILE A 48 2.532 8.937 0.807 1.00 4.41 H new ATOM 0 HD12 ILE A 48 2.836 9.679 2.396 1.00 4.41 H new ATOM 0 HD13 ILE A 48 1.809 10.513 1.206 1.00 4.41 H new ATOM 772 N LYS A 49 6.936 13.472 2.731 1.00 32.22 N ATOM 773 CA LYS A 49 7.471 14.506 3.637 1.00 25.20 C ATOM 774 C LYS A 49 8.123 15.699 2.871 1.00 22.24 C ATOM 775 O LYS A 49 7.952 16.854 3.264 1.00 60.33 O ATOM 776 CB LYS A 49 8.502 13.845 4.589 1.00 42.42 C ATOM 777 CG LYS A 49 9.067 14.766 5.689 1.00 2.14 C ATOM 778 CD LYS A 49 10.132 14.060 6.561 1.00 35.44 C ATOM 779 CE LYS A 49 10.581 14.918 7.754 1.00 74.24 C ATOM 780 NZ LYS A 49 9.467 15.168 8.709 1.00 43.00 N ATOM 0 H LYS A 49 7.266 12.533 2.954 1.00 32.22 H new ATOM 0 HA LYS A 49 6.640 14.925 4.204 1.00 25.20 H new ATOM 0 HB2 LYS A 49 8.033 12.984 5.065 1.00 42.42 H new ATOM 0 HB3 LYS A 49 9.332 13.467 3.993 1.00 42.42 H new ATOM 0 HG2 LYS A 49 9.507 15.650 5.228 1.00 2.14 H new ATOM 0 HG3 LYS A 49 8.251 15.111 6.325 1.00 2.14 H new ATOM 0 HD2 LYS A 49 9.728 13.116 6.928 1.00 35.44 H new ATOM 0 HD3 LYS A 49 10.998 13.818 5.945 1.00 35.44 H new ATOM 0 HE2 LYS A 49 11.399 14.418 8.273 1.00 74.24 H new ATOM 0 HE3 LYS A 49 10.968 15.870 7.391 1.00 74.24 H new ATOM 0 HZ1 LYS A 49 9.850 15.554 9.596 1.00 43.00 H new ATOM 0 HZ2 LYS A 49 8.800 15.850 8.294 1.00 43.00 H new ATOM 0 HZ3 LYS A 49 8.971 14.275 8.906 1.00 43.00 H new ATOM 794 N LYS A 50 8.846 15.407 1.766 1.00 21.52 N ATOM 795 CA LYS A 50 9.628 16.438 1.030 1.00 72.54 C ATOM 796 C LYS A 50 8.803 17.100 -0.098 1.00 35.23 C ATOM 797 O LYS A 50 8.695 18.331 -0.167 1.00 33.41 O ATOM 798 CB LYS A 50 10.927 15.828 0.418 1.00 42.31 C ATOM 799 CG LYS A 50 11.947 15.231 1.437 1.00 65.33 C ATOM 800 CD LYS A 50 11.563 13.836 1.973 1.00 43.13 C ATOM 801 CE LYS A 50 11.561 12.753 0.874 1.00 52.33 C ATOM 802 NZ LYS A 50 12.921 12.410 0.371 1.00 62.43 N ATOM 0 H LYS A 50 8.907 14.472 1.363 1.00 21.52 H new ATOM 0 HA LYS A 50 9.892 17.202 1.761 1.00 72.54 H new ATOM 0 HB2 LYS A 50 10.641 15.043 -0.282 1.00 42.31 H new ATOM 0 HB3 LYS A 50 11.431 16.603 -0.160 1.00 42.31 H new ATOM 0 HG2 LYS A 50 12.925 15.168 0.960 1.00 65.33 H new ATOM 0 HG3 LYS A 50 12.046 15.917 2.279 1.00 65.33 H new ATOM 0 HD2 LYS A 50 12.262 13.549 2.759 1.00 43.13 H new ATOM 0 HD3 LYS A 50 10.574 13.886 2.429 1.00 43.13 H new ATOM 0 HE2 LYS A 50 11.089 11.851 1.265 1.00 52.33 H new ATOM 0 HE3 LYS A 50 10.950 13.096 0.039 1.00 52.33 H new ATOM 0 HZ1 LYS A 50 12.845 11.678 -0.364 1.00 62.43 H new ATOM 0 HZ2 LYS A 50 13.367 13.259 -0.031 1.00 62.43 H new ATOM 0 HZ3 LYS A 50 13.502 12.053 1.156 1.00 62.43 H new ATOM 816 N GLN A 51 8.213 16.264 -0.972 1.00 10.11 N ATOM 817 CA GLN A 51 7.584 16.722 -2.237 1.00 33.01 C ATOM 818 C GLN A 51 6.059 16.858 -2.114 1.00 55.23 C ATOM 819 O GLN A 51 5.418 17.544 -2.925 1.00 62.34 O ATOM 820 CB GLN A 51 7.933 15.721 -3.376 1.00 22.32 C ATOM 821 CG GLN A 51 9.442 15.583 -3.677 1.00 12.42 C ATOM 822 CD GLN A 51 10.094 16.914 -4.063 1.00 10.32 C ATOM 823 OE1 GLN A 51 10.614 17.640 -3.216 1.00 10.23 O ATOM 824 NE2 GLN A 51 10.050 17.260 -5.341 1.00 60.21 N ATOM 0 H GLN A 51 8.156 15.256 -0.828 1.00 10.11 H new ATOM 0 HA GLN A 51 7.980 17.712 -2.466 1.00 33.01 H new ATOM 0 HB2 GLN A 51 7.538 14.740 -3.112 1.00 22.32 H new ATOM 0 HB3 GLN A 51 7.422 16.036 -4.286 1.00 22.32 H new ATOM 0 HG2 GLN A 51 9.947 15.177 -2.801 1.00 12.42 H new ATOM 0 HG3 GLN A 51 9.582 14.867 -4.486 1.00 12.42 H new ATOM 0 HE21 GLN A 51 9.613 16.640 -6.023 1.00 60.21 H new ATOM 0 HE22 GLN A 51 10.453 18.147 -5.643 1.00 60.21 H new ATOM 833 N GLY A 52 5.494 16.214 -1.086 1.00 31.31 N ATOM 834 CA GLY A 52 4.054 16.038 -0.989 1.00 51.44 C ATOM 835 C GLY A 52 3.568 15.024 -2.009 1.00 74.32 C ATOM 836 O GLY A 52 2.658 15.318 -2.785 1.00 40.32 O ATOM 0 H GLY A 52 6.020 15.808 -0.312 1.00 31.31 H new ATOM 0 HA2 GLY A 52 3.790 15.706 0.015 1.00 51.44 H new ATOM 0 HA3 GLY A 52 3.554 16.993 -1.151 1.00 51.44 H new ATOM 840 N CYS A 53 4.226 13.843 -2.020 1.00 73.25 N ATOM 841 CA CYS A 53 3.925 12.734 -2.936 1.00 42.30 C ATOM 842 C CYS A 53 2.493 12.195 -2.699 1.00 2.43 C ATOM 843 O CYS A 53 2.269 11.263 -1.921 1.00 21.32 O ATOM 844 CB CYS A 53 4.986 11.642 -2.742 1.00 0.41 C ATOM 845 SG CYS A 53 6.671 12.282 -2.740 1.00 25.43 S ATOM 0 H CYS A 53 4.993 13.636 -1.380 1.00 73.25 H new ATOM 0 HA CYS A 53 3.958 13.083 -3.968 1.00 42.30 H new ATOM 0 HB2 CYS A 53 4.799 11.126 -1.800 1.00 0.41 H new ATOM 0 HB3 CYS A 53 4.886 10.902 -3.536 1.00 0.41 H new ATOM 0 HG CYS A 53 7.512 11.291 -2.783 1.00 25.43 H new ATOM 851 N LYS A 54 1.534 12.837 -3.365 1.00 41.34 N ATOM 852 CA LYS A 54 0.089 12.622 -3.162 1.00 42.13 C ATOM 853 C LYS A 54 -0.491 11.629 -4.176 1.00 15.30 C ATOM 854 O LYS A 54 -1.701 11.376 -4.194 1.00 10.23 O ATOM 855 CB LYS A 54 -0.619 13.993 -3.214 1.00 73.11 C ATOM 856 CG LYS A 54 -0.266 14.867 -4.439 1.00 53.25 C ATOM 857 CD LYS A 54 -0.724 16.328 -4.252 1.00 62.24 C ATOM 858 CE LYS A 54 -0.130 17.275 -5.296 1.00 2.50 C ATOM 859 NZ LYS A 54 -0.448 18.691 -4.985 1.00 64.13 N ATOM 0 H LYS A 54 1.737 13.538 -4.078 1.00 41.34 H new ATOM 0 HA LYS A 54 -0.079 12.169 -2.185 1.00 42.13 H new ATOM 0 HB2 LYS A 54 -1.696 13.829 -3.203 1.00 73.11 H new ATOM 0 HB3 LYS A 54 -0.371 14.547 -2.308 1.00 73.11 H new ATOM 0 HG2 LYS A 54 0.811 14.842 -4.605 1.00 53.25 H new ATOM 0 HG3 LYS A 54 -0.735 14.450 -5.330 1.00 53.25 H new ATOM 0 HD2 LYS A 54 -1.812 16.372 -4.305 1.00 62.24 H new ATOM 0 HD3 LYS A 54 -0.440 16.668 -3.256 1.00 62.24 H new ATOM 0 HE2 LYS A 54 0.951 17.143 -5.336 1.00 2.50 H new ATOM 0 HE3 LYS A 54 -0.518 17.021 -6.282 1.00 2.50 H new ATOM 0 HZ1 LYS A 54 0.365 19.292 -5.232 1.00 64.13 H new ATOM 0 HZ2 LYS A 54 -1.279 18.989 -5.535 1.00 64.13 H new ATOM 0 HZ3 LYS A 54 -0.653 18.786 -3.970 1.00 64.13 H new ATOM 873 N ARG A 55 0.382 11.077 -5.028 1.00 14.14 N ATOM 874 CA ARG A 55 0.065 9.917 -5.860 1.00 25.44 C ATOM 875 C ARG A 55 0.838 8.705 -5.337 1.00 3.01 C ATOM 876 O ARG A 55 2.073 8.689 -5.320 1.00 11.35 O ATOM 877 CB ARG A 55 0.403 10.166 -7.355 1.00 64.21 C ATOM 878 CG ARG A 55 -0.489 11.217 -8.045 1.00 12.12 C ATOM 879 CD ARG A 55 -0.228 11.329 -9.563 1.00 71.25 C ATOM 880 NE ARG A 55 -1.173 12.255 -10.213 1.00 12.40 N ATOM 881 CZ ARG A 55 -1.300 12.446 -11.538 1.00 41.44 C ATOM 882 NH1 ARG A 55 -0.532 11.779 -12.407 1.00 12.33 N ATOM 883 NH2 ARG A 55 -2.220 13.297 -11.980 1.00 51.23 N ATOM 0 H ARG A 55 1.331 11.427 -5.158 1.00 14.14 H new ATOM 0 HA ARG A 55 -1.008 9.733 -5.801 1.00 25.44 H new ATOM 0 HB2 ARG A 55 1.443 10.484 -7.431 1.00 64.21 H new ATOM 0 HB3 ARG A 55 0.317 9.224 -7.896 1.00 64.21 H new ATOM 0 HG2 ARG A 55 -1.536 10.961 -7.880 1.00 12.12 H new ATOM 0 HG3 ARG A 55 -0.321 12.189 -7.581 1.00 12.12 H new ATOM 0 HD2 ARG A 55 0.792 11.673 -9.732 1.00 71.25 H new ATOM 0 HD3 ARG A 55 -0.312 10.343 -10.020 1.00 71.25 H new ATOM 0 HE ARG A 55 -1.784 12.799 -9.604 1.00 12.40 H new ATOM 0 HH11 ARG A 55 0.163 11.114 -12.068 1.00 12.33 H new ATOM 0 HH12 ARG A 55 -0.641 11.936 -13.409 1.00 12.33 H new ATOM 0 HH21 ARG A 55 -2.816 13.793 -11.317 1.00 51.23 H new ATOM 0 HH22 ARG A 55 -2.330 13.454 -12.982 1.00 51.23 H new ATOM 897 N VAL A 56 0.086 7.715 -4.870 1.00 1.30 N ATOM 898 CA VAL A 56 0.593 6.400 -4.470 1.00 74.43 C ATOM 899 C VAL A 56 -0.231 5.361 -5.230 1.00 11.10 C ATOM 900 O VAL A 56 -1.424 5.563 -5.425 1.00 51.20 O ATOM 901 CB VAL A 56 0.467 6.177 -2.908 1.00 0.12 C ATOM 902 CG1 VAL A 56 0.940 4.767 -2.488 1.00 4.01 C ATOM 903 CG2 VAL A 56 1.224 7.270 -2.109 1.00 74.23 C ATOM 0 H VAL A 56 -0.924 7.804 -4.754 1.00 1.30 H new ATOM 0 HA VAL A 56 1.653 6.315 -4.708 1.00 74.43 H new ATOM 0 HB VAL A 56 -0.593 6.258 -2.666 1.00 0.12 H new ATOM 0 HG11 VAL A 56 0.837 4.655 -1.409 1.00 4.01 H new ATOM 0 HG12 VAL A 56 0.332 4.015 -2.990 1.00 4.01 H new ATOM 0 HG13 VAL A 56 1.985 4.635 -2.768 1.00 4.01 H new ATOM 0 HG21 VAL A 56 1.114 7.082 -1.041 1.00 74.23 H new ATOM 0 HG22 VAL A 56 2.281 7.248 -2.374 1.00 74.23 H new ATOM 0 HG23 VAL A 56 0.810 8.249 -2.350 1.00 74.23 H new ATOM 913 N LYS A 57 0.405 4.279 -5.698 1.00 4.34 N ATOM 914 CA LYS A 57 -0.276 3.199 -6.438 1.00 60.21 C ATOM 915 C LYS A 57 0.184 1.843 -5.899 1.00 64.32 C ATOM 916 O LYS A 57 1.370 1.542 -5.916 1.00 31.03 O ATOM 917 CB LYS A 57 -0.001 3.294 -7.969 1.00 2.51 C ATOM 918 CG LYS A 57 -0.477 4.610 -8.637 1.00 15.31 C ATOM 919 CD LYS A 57 -0.362 4.588 -10.179 1.00 12.24 C ATOM 920 CE LYS A 57 -1.203 3.469 -10.824 1.00 74.53 C ATOM 921 NZ LYS A 57 -2.633 3.534 -10.414 1.00 0.11 N ATOM 0 H LYS A 57 1.406 4.124 -5.576 1.00 4.34 H new ATOM 0 HA LYS A 57 -1.351 3.306 -6.291 1.00 60.21 H new ATOM 0 HB2 LYS A 57 1.070 3.184 -8.139 1.00 2.51 H new ATOM 0 HB3 LYS A 57 -0.490 2.455 -8.464 1.00 2.51 H new ATOM 0 HG2 LYS A 57 -1.515 4.796 -8.359 1.00 15.31 H new ATOM 0 HG3 LYS A 57 0.111 5.441 -8.247 1.00 15.31 H new ATOM 0 HD2 LYS A 57 -0.681 5.551 -10.576 1.00 12.24 H new ATOM 0 HD3 LYS A 57 0.683 4.458 -10.459 1.00 12.24 H new ATOM 0 HE2 LYS A 57 -1.134 3.544 -11.909 1.00 74.53 H new ATOM 0 HE3 LYS A 57 -0.790 2.500 -10.545 1.00 74.53 H new ATOM 0 HZ1 LYS A 57 -3.222 3.069 -11.134 1.00 0.11 H new ATOM 0 HZ2 LYS A 57 -2.755 3.050 -9.502 1.00 0.11 H new ATOM 0 HZ3 LYS A 57 -2.922 4.529 -10.320 1.00 0.11 H new ATOM 935 N ILE A 58 -0.751 1.042 -5.406 1.00 21.31 N ATOM 936 CA ILE A 58 -0.475 -0.321 -4.931 1.00 71.15 C ATOM 937 C ILE A 58 -0.975 -1.304 -5.992 1.00 21.21 C ATOM 938 O ILE A 58 -2.174 -1.372 -6.267 1.00 3.22 O ATOM 939 CB ILE A 58 -1.175 -0.584 -3.544 1.00 63.24 C ATOM 940 CG1 ILE A 58 -0.609 0.406 -2.474 1.00 10.51 C ATOM 941 CG2 ILE A 58 -1.059 -2.066 -3.091 1.00 61.01 C ATOM 942 CD1 ILE A 58 -1.345 0.403 -1.149 1.00 62.13 C ATOM 0 H ILE A 58 -1.730 1.315 -5.321 1.00 21.31 H new ATOM 0 HA ILE A 58 0.596 -0.453 -4.779 1.00 71.15 H new ATOM 0 HB ILE A 58 -2.243 -0.398 -3.660 1.00 63.24 H new ATOM 0 HG12 ILE A 58 0.438 0.162 -2.292 1.00 10.51 H new ATOM 0 HG13 ILE A 58 -0.634 1.415 -2.885 1.00 10.51 H new ATOM 0 HG21 ILE A 58 -1.558 -2.193 -2.130 1.00 61.01 H new ATOM 0 HG22 ILE A 58 -1.531 -2.711 -3.832 1.00 61.01 H new ATOM 0 HG23 ILE A 58 -0.007 -2.335 -2.992 1.00 61.01 H new ATOM 0 HD11 ILE A 58 -0.880 1.120 -0.473 1.00 62.13 H new ATOM 0 HD12 ILE A 58 -2.387 0.680 -1.311 1.00 62.13 H new ATOM 0 HD13 ILE A 58 -1.298 -0.593 -0.709 1.00 62.13 H new ATOM 954 N ARG A 59 -0.052 -2.030 -6.610 1.00 24.13 N ATOM 955 CA ARG A 59 -0.369 -3.088 -7.571 1.00 51.54 C ATOM 956 C ARG A 59 0.036 -4.428 -6.965 1.00 33.45 C ATOM 957 O ARG A 59 1.085 -4.547 -6.328 1.00 3.41 O ATOM 958 CB ARG A 59 0.336 -2.841 -8.935 1.00 55.24 C ATOM 959 CG ARG A 59 -0.269 -1.677 -9.760 1.00 24.34 C ATOM 960 CD ARG A 59 0.398 -1.528 -11.140 1.00 62.43 C ATOM 961 NE ARG A 59 -0.288 -0.561 -12.018 1.00 34.24 N ATOM 962 CZ ARG A 59 0.007 -0.369 -13.319 1.00 45.20 C ATOM 963 NH1 ARG A 59 0.981 -1.080 -13.908 1.00 5.44 N ATOM 964 NH2 ARG A 59 -0.681 0.513 -14.035 1.00 22.43 N ATOM 0 H ARG A 59 0.949 -1.902 -6.459 1.00 24.13 H new ATOM 0 HA ARG A 59 -1.440 -3.091 -7.773 1.00 51.54 H new ATOM 0 HB2 ARG A 59 1.391 -2.634 -8.754 1.00 55.24 H new ATOM 0 HB3 ARG A 59 0.288 -3.755 -9.527 1.00 55.24 H new ATOM 0 HG2 ARG A 59 -1.338 -1.846 -9.892 1.00 24.34 H new ATOM 0 HG3 ARG A 59 -0.160 -0.746 -9.204 1.00 24.34 H new ATOM 0 HD2 ARG A 59 1.433 -1.214 -11.004 1.00 62.43 H new ATOM 0 HD3 ARG A 59 0.422 -2.501 -11.631 1.00 62.43 H new ATOM 0 HE ARG A 59 -1.037 0.001 -11.613 1.00 34.24 H new ATOM 0 HH11 ARG A 59 1.504 -1.771 -13.371 1.00 5.44 H new ATOM 0 HH12 ARG A 59 1.198 -0.929 -14.893 1.00 5.44 H new ATOM 0 HH21 ARG A 59 -1.434 1.046 -13.600 1.00 22.43 H new ATOM 0 HH22 ARG A 59 -0.456 0.657 -15.019 1.00 22.43 H new ATOM 978 N PHE A 60 -0.816 -5.426 -7.143 1.00 55.01 N ATOM 979 CA PHE A 60 -0.619 -6.753 -6.569 1.00 24.51 C ATOM 980 C PHE A 60 -1.129 -7.801 -7.556 1.00 40.34 C ATOM 981 O PHE A 60 -2.206 -7.649 -8.119 1.00 50.41 O ATOM 982 CB PHE A 60 -1.375 -6.817 -5.210 1.00 52.54 C ATOM 983 CG PHE A 60 -1.472 -8.209 -4.595 1.00 12.34 C ATOM 984 CD1 PHE A 60 -0.330 -8.866 -4.160 1.00 25.24 C ATOM 985 CD2 PHE A 60 -2.697 -8.869 -4.475 1.00 71.32 C ATOM 986 CE1 PHE A 60 -0.403 -10.132 -3.613 1.00 54.24 C ATOM 987 CE2 PHE A 60 -2.767 -10.134 -3.928 1.00 44.00 C ATOM 988 CZ PHE A 60 -1.619 -10.768 -3.502 1.00 62.51 C ATOM 0 H PHE A 60 -1.670 -5.340 -7.693 1.00 55.01 H new ATOM 0 HA PHE A 60 0.436 -6.954 -6.385 1.00 24.51 H new ATOM 0 HB2 PHE A 60 -0.875 -6.156 -4.501 1.00 52.54 H new ATOM 0 HB3 PHE A 60 -2.383 -6.428 -5.353 1.00 52.54 H new ATOM 0 HD1 PHE A 60 0.630 -8.380 -4.251 1.00 25.24 H new ATOM 0 HD2 PHE A 60 -3.600 -8.384 -4.814 1.00 71.32 H new ATOM 0 HE1 PHE A 60 0.496 -10.624 -3.272 1.00 54.24 H new ATOM 0 HE2 PHE A 60 -3.723 -10.628 -3.833 1.00 44.00 H new ATOM 0 HZ PHE A 60 -1.674 -11.762 -3.082 1.00 62.51 H new ATOM 998 N GLU A 61 -0.362 -8.881 -7.735 1.00 33.30 N ATOM 999 CA GLU A 61 -0.720 -9.978 -8.650 1.00 20.11 C ATOM 1000 C GLU A 61 -1.230 -11.169 -7.838 1.00 2.12 C ATOM 1001 O GLU A 61 -0.625 -11.544 -6.822 1.00 72.42 O ATOM 1002 CB GLU A 61 0.488 -10.385 -9.525 1.00 1.31 C ATOM 1003 CG GLU A 61 1.042 -9.238 -10.401 1.00 24.24 C ATOM 1004 CD GLU A 61 2.068 -9.724 -11.433 1.00 33.51 C ATOM 1005 OE1 GLU A 61 3.146 -10.194 -11.021 1.00 70.22 O ATOM 1006 OE2 GLU A 61 1.796 -9.652 -12.654 1.00 14.43 O ATOM 0 H GLU A 61 0.525 -9.023 -7.252 1.00 33.30 H new ATOM 0 HA GLU A 61 -1.510 -9.638 -9.320 1.00 20.11 H new ATOM 0 HB2 GLU A 61 1.285 -10.753 -8.879 1.00 1.31 H new ATOM 0 HB3 GLU A 61 0.194 -11.213 -10.171 1.00 1.31 H new ATOM 0 HG2 GLU A 61 0.216 -8.750 -10.918 1.00 24.24 H new ATOM 0 HG3 GLU A 61 1.505 -8.488 -9.760 1.00 24.24 H new ATOM 1013 N LYS A 62 -2.345 -11.749 -8.300 1.00 14.22 N ATOM 1014 CA LYS A 62 -3.027 -12.845 -7.614 1.00 4.44 C ATOM 1015 C LYS A 62 -3.836 -13.669 -8.622 1.00 63.41 C ATOM 1016 O LYS A 62 -4.368 -13.125 -9.601 1.00 35.32 O ATOM 1017 CB LYS A 62 -3.920 -12.276 -6.467 1.00 52.34 C ATOM 1018 CG LYS A 62 -4.964 -11.193 -6.863 1.00 51.05 C ATOM 1019 CD LYS A 62 -6.329 -11.788 -7.280 1.00 14.12 C ATOM 1020 CE LYS A 62 -7.278 -10.727 -7.841 1.00 22.24 C ATOM 1021 NZ LYS A 62 -6.697 -10.036 -9.022 1.00 62.02 N ATOM 0 H LYS A 62 -2.800 -11.466 -9.168 1.00 14.22 H new ATOM 0 HA LYS A 62 -2.294 -13.512 -7.160 1.00 4.44 H new ATOM 0 HB2 LYS A 62 -4.452 -13.108 -6.006 1.00 52.34 H new ATOM 0 HB3 LYS A 62 -3.265 -11.854 -5.704 1.00 52.34 H new ATOM 0 HG2 LYS A 62 -5.112 -10.515 -6.022 1.00 51.05 H new ATOM 0 HG3 LYS A 62 -4.567 -10.598 -7.686 1.00 51.05 H new ATOM 0 HD2 LYS A 62 -6.171 -12.564 -8.029 1.00 14.12 H new ATOM 0 HD3 LYS A 62 -6.793 -12.267 -6.418 1.00 14.12 H new ATOM 0 HE2 LYS A 62 -8.222 -11.195 -8.122 1.00 22.24 H new ATOM 0 HE3 LYS A 62 -7.504 -9.995 -7.066 1.00 22.24 H new ATOM 0 HZ1 LYS A 62 -7.422 -9.946 -9.763 1.00 62.02 H new ATOM 0 HZ2 LYS A 62 -6.367 -9.090 -8.743 1.00 62.02 H new ATOM 0 HZ3 LYS A 62 -5.895 -10.588 -9.388 1.00 62.02 H new ATOM 1035 N LYS A 63 -3.931 -14.977 -8.360 1.00 4.14 N ATOM 1036 CA LYS A 63 -4.666 -15.917 -9.216 1.00 14.52 C ATOM 1037 C LYS A 63 -4.908 -17.216 -8.445 1.00 25.03 C ATOM 1038 O LYS A 63 -6.037 -17.519 -8.045 1.00 31.13 O ATOM 1039 CB LYS A 63 -3.867 -16.170 -10.530 1.00 51.03 C ATOM 1040 CG LYS A 63 -4.516 -17.168 -11.523 1.00 23.12 C ATOM 1041 CD LYS A 63 -3.678 -17.343 -12.814 1.00 22.43 C ATOM 1042 CE LYS A 63 -3.553 -16.038 -13.633 1.00 51.45 C ATOM 1043 NZ LYS A 63 -4.857 -15.597 -14.203 1.00 14.31 N ATOM 0 H LYS A 63 -3.500 -15.416 -7.546 1.00 4.14 H new ATOM 0 HA LYS A 63 -5.633 -15.497 -9.492 1.00 14.52 H new ATOM 0 HB2 LYS A 63 -3.727 -15.216 -11.039 1.00 51.03 H new ATOM 0 HB3 LYS A 63 -2.876 -16.539 -10.267 1.00 51.03 H new ATOM 0 HG2 LYS A 63 -4.635 -18.136 -11.036 1.00 23.12 H new ATOM 0 HG3 LYS A 63 -5.514 -16.818 -11.785 1.00 23.12 H new ATOM 0 HD2 LYS A 63 -2.681 -17.696 -12.549 1.00 22.43 H new ATOM 0 HD3 LYS A 63 -4.134 -18.113 -13.435 1.00 22.43 H new ATOM 0 HE2 LYS A 63 -3.153 -15.249 -12.996 1.00 51.45 H new ATOM 0 HE3 LYS A 63 -2.838 -16.187 -14.442 1.00 51.45 H new ATOM 0 HZ1 LYS A 63 -4.745 -14.660 -14.641 1.00 14.31 H new ATOM 0 HZ2 LYS A 63 -5.171 -16.280 -14.922 1.00 14.31 H new ATOM 0 HZ3 LYS A 63 -5.567 -15.542 -13.445 1.00 14.31 H new ATOM 1057 N GLY A 64 -3.818 -17.950 -8.198 1.00 23.22 N ATOM 1058 CA GLY A 64 -3.875 -19.244 -7.535 1.00 25.11 C ATOM 1059 C GLY A 64 -3.645 -19.141 -6.037 1.00 51.13 C ATOM 1060 O GLY A 64 -2.818 -19.864 -5.485 1.00 21.52 O ATOM 0 H GLY A 64 -2.875 -17.658 -8.454 1.00 23.22 H new ATOM 0 HA2 GLY A 64 -4.847 -19.701 -7.719 1.00 25.11 H new ATOM 0 HA3 GLY A 64 -3.125 -19.905 -7.970 1.00 25.11 H new ATOM 1064 N LEU A 65 -4.387 -18.233 -5.375 1.00 12.41 N ATOM 1065 CA LEU A 65 -4.326 -18.072 -3.913 1.00 15.23 C ATOM 1066 C LEU A 65 -5.576 -18.651 -3.246 1.00 61.02 C ATOM 1067 O LEU A 65 -6.625 -18.815 -3.886 1.00 74.43 O ATOM 1068 CB LEU A 65 -4.108 -16.578 -3.494 1.00 61.31 C ATOM 1069 CG LEU A 65 -4.865 -15.424 -4.266 1.00 34.14 C ATOM 1070 CD1 LEU A 65 -6.389 -15.642 -4.389 1.00 43.13 C ATOM 1071 CD2 LEU A 65 -4.579 -14.068 -3.581 1.00 40.10 C ATOM 0 H LEU A 65 -5.039 -17.597 -5.835 1.00 12.41 H new ATOM 0 HA LEU A 65 -3.459 -18.633 -3.564 1.00 15.23 H new ATOM 0 HB2 LEU A 65 -4.376 -16.494 -2.441 1.00 61.31 H new ATOM 0 HB3 LEU A 65 -3.040 -16.372 -3.569 1.00 61.31 H new ATOM 0 HG LEU A 65 -4.478 -15.432 -5.285 1.00 34.14 H new ATOM 0 HD11 LEU A 65 -6.833 -14.807 -4.931 1.00 43.13 H new ATOM 0 HD12 LEU A 65 -6.582 -16.569 -4.929 1.00 43.13 H new ATOM 0 HD13 LEU A 65 -6.829 -15.704 -3.394 1.00 43.13 H new ATOM 0 HD21 LEU A 65 -5.101 -13.274 -4.114 1.00 40.10 H new ATOM 0 HD22 LEU A 65 -4.927 -14.101 -2.548 1.00 40.10 H new ATOM 0 HD23 LEU A 65 -3.507 -13.871 -3.597 1.00 40.10 H new ATOM 1083 N ASP A 66 -5.448 -18.925 -1.947 1.00 1.34 N ATOM 1084 CA ASP A 66 -6.564 -19.369 -1.098 1.00 61.31 C ATOM 1085 C ASP A 66 -7.421 -18.136 -0.724 1.00 34.02 C ATOM 1086 O ASP A 66 -6.936 -16.997 -0.811 1.00 52.23 O ATOM 1087 CB ASP A 66 -6.004 -20.083 0.165 1.00 50.31 C ATOM 1088 CG ASP A 66 -7.089 -20.721 1.060 1.00 11.04 C ATOM 1089 OD1 ASP A 66 -7.469 -21.891 0.830 1.00 15.25 O ATOM 1090 OD2 ASP A 66 -7.557 -20.060 2.011 1.00 62.54 O ATOM 0 H ASP A 66 -4.562 -18.846 -1.447 1.00 1.34 H new ATOM 0 HA ASP A 66 -7.194 -20.082 -1.629 1.00 61.31 H new ATOM 0 HB2 ASP A 66 -5.305 -20.858 -0.149 1.00 50.31 H new ATOM 0 HB3 ASP A 66 -5.438 -19.363 0.756 1.00 50.31 H new ATOM 1095 N ASP A 67 -8.684 -18.372 -0.322 1.00 51.32 N ATOM 1096 CA ASP A 67 -9.630 -17.316 0.114 1.00 60.21 C ATOM 1097 C ASP A 67 -9.044 -16.453 1.255 1.00 44.12 C ATOM 1098 O ASP A 67 -9.253 -15.235 1.302 1.00 73.23 O ATOM 1099 CB ASP A 67 -10.975 -17.971 0.548 1.00 72.21 C ATOM 1100 CG ASP A 67 -12.019 -16.963 1.070 1.00 74.40 C ATOM 1101 OD1 ASP A 67 -12.570 -16.194 0.264 1.00 74.40 O ATOM 1102 OD2 ASP A 67 -12.315 -16.953 2.277 1.00 62.42 O ATOM 0 H ASP A 67 -9.085 -19.309 -0.289 1.00 51.32 H new ATOM 0 HA ASP A 67 -9.809 -16.647 -0.728 1.00 60.21 H new ATOM 0 HB2 ASP A 67 -11.397 -18.509 -0.301 1.00 72.21 H new ATOM 0 HB3 ASP A 67 -10.775 -18.708 1.326 1.00 72.21 H new ATOM 1107 N ASP A 68 -8.280 -17.107 2.147 1.00 45.25 N ATOM 1108 CA ASP A 68 -7.594 -16.447 3.265 1.00 64.35 C ATOM 1109 C ASP A 68 -6.470 -15.541 2.742 1.00 23.23 C ATOM 1110 O ASP A 68 -6.415 -14.375 3.113 1.00 62.04 O ATOM 1111 CB ASP A 68 -7.040 -17.490 4.263 1.00 15.33 C ATOM 1112 CG ASP A 68 -6.466 -16.848 5.543 1.00 3.14 C ATOM 1113 OD1 ASP A 68 -7.250 -16.565 6.475 1.00 24.23 O ATOM 1114 OD2 ASP A 68 -5.237 -16.615 5.621 1.00 54.40 O ATOM 0 H ASP A 68 -8.122 -18.114 2.110 1.00 45.25 H new ATOM 0 HA ASP A 68 -8.317 -15.827 3.795 1.00 64.35 H new ATOM 0 HB2 ASP A 68 -7.836 -18.184 4.535 1.00 15.33 H new ATOM 0 HB3 ASP A 68 -6.261 -18.075 3.775 1.00 15.33 H new ATOM 1119 N ALA A 69 -5.610 -16.078 1.843 1.00 40.33 N ATOM 1120 CA ALA A 69 -4.482 -15.320 1.245 1.00 13.32 C ATOM 1121 C ALA A 69 -4.965 -14.044 0.528 1.00 51.51 C ATOM 1122 O ALA A 69 -4.321 -12.987 0.611 1.00 72.53 O ATOM 1123 CB ALA A 69 -3.713 -16.202 0.267 1.00 13.51 C ATOM 0 H ALA A 69 -5.677 -17.041 1.514 1.00 40.33 H new ATOM 0 HA ALA A 69 -3.824 -15.018 2.059 1.00 13.32 H new ATOM 0 HB1 ALA A 69 -2.889 -15.634 -0.164 1.00 13.51 H new ATOM 0 HB2 ALA A 69 -3.319 -17.071 0.794 1.00 13.51 H new ATOM 0 HB3 ALA A 69 -4.381 -16.532 -0.528 1.00 13.51 H new ATOM 1129 N ARG A 70 -6.120 -14.172 -0.156 1.00 21.02 N ATOM 1130 CA ARG A 70 -6.797 -13.053 -0.830 1.00 64.25 C ATOM 1131 C ARG A 70 -7.195 -11.977 0.187 1.00 20.13 C ATOM 1132 O ARG A 70 -6.974 -10.790 -0.045 1.00 44.45 O ATOM 1133 CB ARG A 70 -8.053 -13.578 -1.577 1.00 12.21 C ATOM 1134 CG ARG A 70 -8.870 -12.497 -2.317 1.00 14.33 C ATOM 1135 CD ARG A 70 -10.128 -13.065 -2.989 1.00 61.14 C ATOM 1136 NE ARG A 70 -10.965 -12.008 -3.584 1.00 51.43 N ATOM 1137 CZ ARG A 70 -12.252 -12.143 -3.939 1.00 2.34 C ATOM 1138 NH1 ARG A 70 -12.894 -13.305 -3.778 1.00 42.24 N ATOM 1139 NH2 ARG A 70 -12.899 -11.099 -4.442 1.00 64.22 N ATOM 0 H ARG A 70 -6.610 -15.061 -0.255 1.00 21.02 H new ATOM 0 HA ARG A 70 -6.112 -12.606 -1.551 1.00 64.25 H new ATOM 0 HB2 ARG A 70 -7.739 -14.333 -2.298 1.00 12.21 H new ATOM 0 HB3 ARG A 70 -8.704 -14.075 -0.858 1.00 12.21 H new ATOM 0 HG2 ARG A 70 -9.160 -11.719 -1.611 1.00 14.33 H new ATOM 0 HG3 ARG A 70 -8.241 -12.025 -3.072 1.00 14.33 H new ATOM 0 HD2 ARG A 70 -9.836 -13.774 -3.763 1.00 61.14 H new ATOM 0 HD3 ARG A 70 -10.712 -13.619 -2.254 1.00 61.14 H new ATOM 0 HE ARG A 70 -10.530 -11.098 -3.739 1.00 51.43 H new ATOM 0 HH11 ARG A 70 -12.405 -14.107 -3.380 1.00 42.24 H new ATOM 0 HH12 ARG A 70 -13.872 -13.389 -4.053 1.00 42.24 H new ATOM 0 HH21 ARG A 70 -12.418 -10.207 -4.555 1.00 64.22 H new ATOM 0 HH22 ARG A 70 -13.877 -11.189 -4.716 1.00 64.22 H new ATOM 1153 N LYS A 71 -7.730 -12.437 1.335 1.00 72.23 N ATOM 1154 CA LYS A 71 -8.243 -11.569 2.400 1.00 13.41 C ATOM 1155 C LYS A 71 -7.101 -10.827 3.117 1.00 13.02 C ATOM 1156 O LYS A 71 -7.301 -9.698 3.578 1.00 40.32 O ATOM 1157 CB LYS A 71 -9.082 -12.407 3.410 1.00 51.12 C ATOM 1158 CG LYS A 71 -9.842 -11.574 4.468 1.00 30.00 C ATOM 1159 CD LYS A 71 -10.873 -10.610 3.837 1.00 64.23 C ATOM 1160 CE LYS A 71 -11.658 -9.813 4.889 1.00 52.22 C ATOM 1161 NZ LYS A 71 -12.465 -10.691 5.775 1.00 53.14 N ATOM 0 H LYS A 71 -7.817 -13.431 1.546 1.00 72.23 H new ATOM 0 HA LYS A 71 -8.887 -10.815 1.948 1.00 13.41 H new ATOM 0 HB2 LYS A 71 -9.803 -13.006 2.853 1.00 51.12 H new ATOM 0 HB3 LYS A 71 -8.418 -13.102 3.924 1.00 51.12 H new ATOM 0 HG2 LYS A 71 -10.353 -12.247 5.156 1.00 30.00 H new ATOM 0 HG3 LYS A 71 -9.126 -11.000 5.056 1.00 30.00 H new ATOM 0 HD2 LYS A 71 -10.357 -9.917 3.172 1.00 64.23 H new ATOM 0 HD3 LYS A 71 -11.571 -11.181 3.224 1.00 64.23 H new ATOM 0 HE2 LYS A 71 -10.963 -9.231 5.494 1.00 52.22 H new ATOM 0 HE3 LYS A 71 -12.316 -9.103 4.387 1.00 52.22 H new ATOM 0 HZ1 LYS A 71 -13.091 -10.107 6.365 1.00 53.14 H new ATOM 0 HZ2 LYS A 71 -13.038 -11.337 5.195 1.00 53.14 H new ATOM 0 HZ3 LYS A 71 -11.831 -11.245 6.386 1.00 53.14 H new ATOM 1175 N LYS A 72 -5.909 -11.468 3.208 1.00 50.23 N ATOM 1176 CA LYS A 72 -4.740 -10.867 3.880 1.00 2.14 C ATOM 1177 C LYS A 72 -4.301 -9.613 3.115 1.00 62.45 C ATOM 1178 O LYS A 72 -4.215 -8.532 3.681 1.00 12.23 O ATOM 1179 CB LYS A 72 -3.538 -11.860 3.967 1.00 20.33 C ATOM 1180 CG LYS A 72 -3.802 -13.259 4.581 1.00 4.05 C ATOM 1181 CD LYS A 72 -4.395 -13.274 6.026 1.00 72.04 C ATOM 1182 CE LYS A 72 -5.931 -13.144 6.074 1.00 41.11 C ATOM 1183 NZ LYS A 72 -6.488 -13.545 7.389 1.00 52.31 N ATOM 0 H LYS A 72 -5.737 -12.397 2.825 1.00 50.23 H new ATOM 0 HA LYS A 72 -5.039 -10.612 4.897 1.00 2.14 H new ATOM 0 HB2 LYS A 72 -3.148 -12.004 2.959 1.00 20.33 H new ATOM 0 HB3 LYS A 72 -2.749 -11.382 4.548 1.00 20.33 H new ATOM 0 HG2 LYS A 72 -4.484 -13.799 3.924 1.00 4.05 H new ATOM 0 HG3 LYS A 72 -2.863 -13.813 4.590 1.00 4.05 H new ATOM 0 HD2 LYS A 72 -4.103 -14.202 6.518 1.00 72.04 H new ATOM 0 HD3 LYS A 72 -3.953 -12.458 6.598 1.00 72.04 H new ATOM 0 HE2 LYS A 72 -6.213 -12.113 5.861 1.00 41.11 H new ATOM 0 HE3 LYS A 72 -6.371 -13.763 5.292 1.00 41.11 H new ATOM 0 HZ1 LYS A 72 -7.298 -12.936 7.623 1.00 52.31 H new ATOM 0 HZ2 LYS A 72 -6.800 -14.536 7.346 1.00 52.31 H new ATOM 0 HZ3 LYS A 72 -5.756 -13.444 8.121 1.00 52.31 H new ATOM 1197 N ALA A 73 -4.094 -9.802 1.795 1.00 63.32 N ATOM 1198 CA ALA A 73 -3.631 -8.752 0.872 1.00 44.53 C ATOM 1199 C ALA A 73 -4.710 -7.678 0.615 1.00 52.20 C ATOM 1200 O ALA A 73 -4.382 -6.510 0.373 1.00 64.11 O ATOM 1201 CB ALA A 73 -3.186 -9.401 -0.443 1.00 70.15 C ATOM 0 H ALA A 73 -4.247 -10.701 1.337 1.00 63.32 H new ATOM 0 HA ALA A 73 -2.789 -8.238 1.336 1.00 44.53 H new ATOM 0 HB1 ALA A 73 -2.842 -8.629 -1.131 1.00 70.15 H new ATOM 0 HB2 ALA A 73 -2.374 -10.101 -0.247 1.00 70.15 H new ATOM 0 HB3 ALA A 73 -4.026 -9.935 -0.887 1.00 70.15 H new ATOM 1207 N LYS A 74 -5.996 -8.094 0.670 1.00 53.44 N ATOM 1208 CA LYS A 74 -7.155 -7.187 0.494 1.00 53.13 C ATOM 1209 C LYS A 74 -7.230 -6.190 1.664 1.00 15.03 C ATOM 1210 O LYS A 74 -7.263 -4.970 1.448 1.00 24.44 O ATOM 1211 CB LYS A 74 -8.473 -8.019 0.358 1.00 50.33 C ATOM 1212 CG LYS A 74 -9.771 -7.201 0.073 1.00 64.11 C ATOM 1213 CD LYS A 74 -10.506 -6.709 1.349 1.00 52.13 C ATOM 1214 CE LYS A 74 -11.718 -5.822 1.034 1.00 51.12 C ATOM 1215 NZ LYS A 74 -12.773 -6.548 0.281 1.00 43.44 N ATOM 0 H LYS A 74 -6.260 -9.065 0.837 1.00 53.44 H new ATOM 0 HA LYS A 74 -7.028 -6.612 -0.424 1.00 53.13 H new ATOM 0 HB2 LYS A 74 -8.340 -8.744 -0.445 1.00 50.33 H new ATOM 0 HB3 LYS A 74 -8.619 -8.585 1.278 1.00 50.33 H new ATOM 0 HG2 LYS A 74 -9.515 -6.338 -0.541 1.00 64.11 H new ATOM 0 HG3 LYS A 74 -10.454 -7.817 -0.512 1.00 64.11 H new ATOM 0 HD2 LYS A 74 -10.834 -7.572 1.929 1.00 52.13 H new ATOM 0 HD3 LYS A 74 -9.807 -6.152 1.973 1.00 52.13 H new ATOM 0 HE2 LYS A 74 -12.137 -5.441 1.965 1.00 51.12 H new ATOM 0 HE3 LYS A 74 -11.392 -4.958 0.455 1.00 51.12 H new ATOM 0 HZ1 LYS A 74 -13.584 -5.916 0.122 1.00 43.44 H new ATOM 0 HZ2 LYS A 74 -12.393 -6.860 -0.635 1.00 43.44 H new ATOM 0 HZ3 LYS A 74 -13.082 -7.377 0.828 1.00 43.44 H new ATOM 1229 N LYS A 75 -7.240 -6.732 2.902 1.00 70.31 N ATOM 1230 CA LYS A 75 -7.306 -5.925 4.142 1.00 60.15 C ATOM 1231 C LYS A 75 -6.044 -5.057 4.274 1.00 22.41 C ATOM 1232 O LYS A 75 -6.116 -3.905 4.712 1.00 2.02 O ATOM 1233 CB LYS A 75 -7.463 -6.847 5.387 1.00 5.23 C ATOM 1234 CG LYS A 75 -7.571 -6.099 6.738 1.00 50.21 C ATOM 1235 CD LYS A 75 -7.595 -7.057 7.957 1.00 33.31 C ATOM 1236 CE LYS A 75 -7.600 -6.305 9.297 1.00 5.31 C ATOM 1237 NZ LYS A 75 -7.539 -7.223 10.469 1.00 3.45 N ATOM 0 H LYS A 75 -7.203 -7.737 3.070 1.00 70.31 H new ATOM 0 HA LYS A 75 -8.177 -5.273 4.087 1.00 60.15 H new ATOM 0 HB2 LYS A 75 -8.353 -7.462 5.256 1.00 5.23 H new ATOM 0 HB3 LYS A 75 -6.610 -7.525 5.430 1.00 5.23 H new ATOM 0 HG2 LYS A 75 -6.729 -5.414 6.837 1.00 50.21 H new ATOM 0 HG3 LYS A 75 -8.477 -5.493 6.741 1.00 50.21 H new ATOM 0 HD2 LYS A 75 -8.478 -7.693 7.898 1.00 33.31 H new ATOM 0 HD3 LYS A 75 -6.726 -7.714 7.916 1.00 33.31 H new ATOM 0 HE2 LYS A 75 -6.750 -5.623 9.330 1.00 5.31 H new ATOM 0 HE3 LYS A 75 -8.501 -5.695 9.364 1.00 5.31 H new ATOM 0 HZ1 LYS A 75 -7.545 -6.666 11.347 1.00 3.45 H new ATOM 0 HZ2 LYS A 75 -8.363 -7.858 10.456 1.00 3.45 H new ATOM 0 HZ3 LYS A 75 -6.667 -7.787 10.423 1.00 3.45 H new ATOM 1251 N TRP A 76 -4.909 -5.634 3.837 1.00 43.54 N ATOM 1252 CA TRP A 76 -3.594 -4.984 3.841 1.00 14.43 C ATOM 1253 C TRP A 76 -3.627 -3.680 3.030 1.00 0.23 C ATOM 1254 O TRP A 76 -3.267 -2.618 3.540 1.00 71.04 O ATOM 1255 CB TRP A 76 -2.545 -5.950 3.240 1.00 71.03 C ATOM 1256 CG TRP A 76 -1.128 -5.507 3.432 1.00 51.03 C ATOM 1257 CD1 TRP A 76 -0.348 -5.777 4.501 1.00 74.53 C ATOM 1258 CD2 TRP A 76 -0.331 -4.705 2.547 1.00 25.12 C ATOM 1259 NE1 TRP A 76 0.879 -5.211 4.338 1.00 54.24 N ATOM 1260 CE2 TRP A 76 0.915 -4.543 3.161 1.00 64.03 C ATOM 1261 CE3 TRP A 76 -0.547 -4.117 1.300 1.00 43.43 C ATOM 1262 CZ2 TRP A 76 1.942 -3.820 2.596 1.00 73.22 C ATOM 1263 CZ3 TRP A 76 0.475 -3.392 0.723 1.00 74.44 C ATOM 1264 CH2 TRP A 76 1.714 -3.249 1.371 1.00 32.35 C ATOM 0 H TRP A 76 -4.885 -6.583 3.465 1.00 43.54 H new ATOM 0 HA TRP A 76 -3.326 -4.740 4.869 1.00 14.43 H new ATOM 0 HB2 TRP A 76 -2.672 -6.934 3.692 1.00 71.03 H new ATOM 0 HB3 TRP A 76 -2.738 -6.062 2.173 1.00 71.03 H new ATOM 0 HD1 TRP A 76 -0.653 -6.357 5.359 1.00 74.53 H new ATOM 0 HE1 TRP A 76 1.652 -5.280 5.000 1.00 54.24 H new ATOM 0 HE3 TRP A 76 -1.496 -4.227 0.796 1.00 43.43 H new ATOM 0 HZ2 TRP A 76 2.891 -3.707 3.099 1.00 73.22 H new ATOM 0 HZ3 TRP A 76 0.321 -2.928 -0.240 1.00 74.44 H new ATOM 0 HH2 TRP A 76 2.499 -2.680 0.896 1.00 32.35 H new ATOM 1275 N ALA A 77 -4.094 -3.800 1.769 1.00 51.34 N ATOM 1276 CA ALA A 77 -4.174 -2.688 0.806 1.00 73.54 C ATOM 1277 C ALA A 77 -5.021 -1.522 1.345 1.00 10.31 C ATOM 1278 O ALA A 77 -4.791 -0.365 0.980 1.00 71.14 O ATOM 1279 CB ALA A 77 -4.738 -3.196 -0.525 1.00 21.32 C ATOM 0 H ALA A 77 -4.430 -4.685 1.389 1.00 51.34 H new ATOM 0 HA ALA A 77 -3.166 -2.305 0.648 1.00 73.54 H new ATOM 0 HB1 ALA A 77 -4.796 -2.371 -1.234 1.00 21.32 H new ATOM 0 HB2 ALA A 77 -4.085 -3.973 -0.924 1.00 21.32 H new ATOM 0 HB3 ALA A 77 -5.735 -3.607 -0.365 1.00 21.32 H new ATOM 1285 N LEU A 78 -6.013 -1.858 2.195 1.00 54.34 N ATOM 1286 CA LEU A 78 -6.876 -0.868 2.855 1.00 0.01 C ATOM 1287 C LEU A 78 -6.120 -0.141 3.985 1.00 11.22 C ATOM 1288 O LEU A 78 -6.074 1.083 4.015 1.00 54.31 O ATOM 1289 CB LEU A 78 -8.129 -1.564 3.453 1.00 23.24 C ATOM 1290 CG LEU A 78 -9.033 -2.346 2.454 1.00 63.23 C ATOM 1291 CD1 LEU A 78 -10.186 -3.049 3.202 1.00 13.33 C ATOM 1292 CD2 LEU A 78 -9.565 -1.425 1.333 1.00 3.45 C ATOM 0 H LEU A 78 -6.235 -2.823 2.440 1.00 54.34 H new ATOM 0 HA LEU A 78 -7.180 -0.138 2.104 1.00 0.01 H new ATOM 0 HB2 LEU A 78 -7.798 -2.256 4.227 1.00 23.24 H new ATOM 0 HB3 LEU A 78 -8.739 -0.805 3.943 1.00 23.24 H new ATOM 0 HG LEU A 78 -8.423 -3.113 1.976 1.00 63.23 H new ATOM 0 HD11 LEU A 78 -10.807 -3.590 2.488 1.00 13.33 H new ATOM 0 HD12 LEU A 78 -9.775 -3.749 3.929 1.00 13.33 H new ATOM 0 HD13 LEU A 78 -10.792 -2.305 3.718 1.00 13.33 H new ATOM 0 HD21 LEU A 78 -10.192 -2.003 0.654 1.00 3.45 H new ATOM 0 HD22 LEU A 78 -10.153 -0.619 1.772 1.00 3.45 H new ATOM 0 HD23 LEU A 78 -8.726 -1.002 0.781 1.00 3.45 H new ATOM 1304 N GLU A 79 -5.486 -0.926 4.878 1.00 61.44 N ATOM 1305 CA GLU A 79 -4.916 -0.417 6.144 1.00 12.11 C ATOM 1306 C GLU A 79 -3.672 0.440 5.915 1.00 11.21 C ATOM 1307 O GLU A 79 -3.508 1.472 6.574 1.00 71.54 O ATOM 1308 CB GLU A 79 -4.596 -1.573 7.115 1.00 43.21 C ATOM 1309 CG GLU A 79 -5.834 -2.355 7.596 1.00 20.30 C ATOM 1310 CD GLU A 79 -5.488 -3.345 8.709 1.00 21.15 C ATOM 1311 OE1 GLU A 79 -4.882 -4.396 8.401 1.00 1.44 O ATOM 1312 OE2 GLU A 79 -5.790 -3.066 9.897 1.00 11.44 O ATOM 0 H GLU A 79 -5.354 -1.929 4.744 1.00 61.44 H new ATOM 0 HA GLU A 79 -5.677 0.220 6.595 1.00 12.11 H new ATOM 0 HB2 GLU A 79 -3.911 -2.265 6.625 1.00 43.21 H new ATOM 0 HB3 GLU A 79 -4.075 -1.170 7.983 1.00 43.21 H new ATOM 0 HG2 GLU A 79 -6.588 -1.655 7.955 1.00 20.30 H new ATOM 0 HG3 GLU A 79 -6.272 -2.893 6.755 1.00 20.30 H new ATOM 1319 N VAL A 80 -2.802 0.010 4.982 1.00 63.44 N ATOM 1320 CA VAL A 80 -1.616 0.799 4.604 1.00 23.30 C ATOM 1321 C VAL A 80 -2.040 2.120 3.936 1.00 42.30 C ATOM 1322 O VAL A 80 -1.415 3.142 4.156 1.00 5.24 O ATOM 1323 CB VAL A 80 -0.620 0.005 3.679 1.00 61.53 C ATOM 1324 CG1 VAL A 80 -0.081 -1.241 4.403 1.00 12.44 C ATOM 1325 CG2 VAL A 80 -1.270 -0.381 2.339 1.00 40.05 C ATOM 0 H VAL A 80 -2.897 -0.873 4.480 1.00 63.44 H new ATOM 0 HA VAL A 80 -1.077 1.018 5.526 1.00 23.30 H new ATOM 0 HB VAL A 80 0.218 0.666 3.457 1.00 61.53 H new ATOM 0 HG11 VAL A 80 0.605 -1.775 3.746 1.00 12.44 H new ATOM 0 HG12 VAL A 80 0.445 -0.937 5.308 1.00 12.44 H new ATOM 0 HG13 VAL A 80 -0.911 -1.895 4.669 1.00 12.44 H new ATOM 0 HG21 VAL A 80 -0.550 -0.927 1.729 1.00 40.05 H new ATOM 0 HG22 VAL A 80 -2.140 -1.011 2.525 1.00 40.05 H new ATOM 0 HG23 VAL A 80 -1.581 0.521 1.812 1.00 40.05 H new ATOM 1335 N ALA A 81 -3.142 2.075 3.159 1.00 24.41 N ATOM 1336 CA ALA A 81 -3.712 3.255 2.491 1.00 73.25 C ATOM 1337 C ALA A 81 -4.272 4.261 3.509 1.00 31.52 C ATOM 1338 O ALA A 81 -4.096 5.470 3.354 1.00 11.53 O ATOM 1339 CB ALA A 81 -4.803 2.807 1.522 1.00 64.21 C ATOM 0 H ALA A 81 -3.660 1.215 2.979 1.00 24.41 H new ATOM 0 HA ALA A 81 -2.920 3.760 1.939 1.00 73.25 H new ATOM 0 HB1 ALA A 81 -5.228 3.679 1.025 1.00 64.21 H new ATOM 0 HB2 ALA A 81 -4.375 2.137 0.777 1.00 64.21 H new ATOM 0 HB3 ALA A 81 -5.586 2.285 2.072 1.00 64.21 H new ATOM 1345 N ASN A 82 -4.929 3.730 4.555 1.00 34.14 N ATOM 1346 CA ASN A 82 -5.498 4.527 5.656 1.00 54.24 C ATOM 1347 C ASN A 82 -4.386 5.080 6.564 1.00 13.51 C ATOM 1348 O ASN A 82 -4.577 6.118 7.193 1.00 45.21 O ATOM 1349 CB ASN A 82 -6.520 3.688 6.491 1.00 31.34 C ATOM 1350 CG ASN A 82 -7.933 3.648 5.890 1.00 25.31 C ATOM 1351 OD1 ASN A 82 -8.765 4.503 6.178 1.00 31.22 O ATOM 1352 ND2 ASN A 82 -8.231 2.652 5.077 1.00 14.01 N ATOM 0 H ASN A 82 -5.081 2.727 4.661 1.00 34.14 H new ATOM 0 HA ASN A 82 -6.032 5.368 5.214 1.00 54.24 H new ATOM 0 HB2 ASN A 82 -6.147 2.668 6.584 1.00 31.34 H new ATOM 0 HB3 ASN A 82 -6.576 4.100 7.498 1.00 31.34 H new ATOM 0 HD21 ASN A 82 -9.166 2.583 4.676 1.00 14.01 H new ATOM 0 HD22 ASN A 82 -7.526 1.951 4.849 1.00 14.01 H new ATOM 1359 N LYS A 83 -3.238 4.369 6.641 1.00 22.54 N ATOM 1360 CA LYS A 83 -2.072 4.795 7.446 1.00 43.42 C ATOM 1361 C LYS A 83 -1.386 5.990 6.750 1.00 65.42 C ATOM 1362 O LYS A 83 -1.129 7.016 7.383 1.00 41.54 O ATOM 1363 CB LYS A 83 -1.097 3.583 7.647 1.00 2.52 C ATOM 1364 CG LYS A 83 -0.017 3.730 8.769 1.00 60.52 C ATOM 1365 CD LYS A 83 1.141 4.698 8.423 1.00 12.14 C ATOM 1366 CE LYS A 83 2.248 4.713 9.486 1.00 65.33 C ATOM 1367 NZ LYS A 83 1.773 5.216 10.801 1.00 62.21 N ATOM 0 H LYS A 83 -3.095 3.487 6.149 1.00 22.54 H new ATOM 0 HA LYS A 83 -2.389 5.122 8.436 1.00 43.42 H new ATOM 0 HB2 LYS A 83 -1.695 2.698 7.864 1.00 2.52 H new ATOM 0 HB3 LYS A 83 -0.584 3.398 6.703 1.00 2.52 H new ATOM 0 HG2 LYS A 83 -0.503 4.077 9.681 1.00 60.52 H new ATOM 0 HG3 LYS A 83 0.401 2.747 8.985 1.00 60.52 H new ATOM 0 HD2 LYS A 83 1.571 4.413 7.463 1.00 12.14 H new ATOM 0 HD3 LYS A 83 0.742 5.706 8.307 1.00 12.14 H new ATOM 0 HE2 LYS A 83 2.642 3.704 9.608 1.00 65.33 H new ATOM 0 HE3 LYS A 83 3.071 5.337 9.139 1.00 65.33 H new ATOM 0 HZ1 LYS A 83 2.586 5.350 11.436 1.00 62.21 H new ATOM 0 HZ2 LYS A 83 1.284 6.124 10.669 1.00 62.21 H new ATOM 0 HZ3 LYS A 83 1.117 4.527 11.220 1.00 62.21 H new ATOM 1381 N ILE A 84 -1.126 5.830 5.439 1.00 74.43 N ATOM 1382 CA ILE A 84 -0.519 6.869 4.580 1.00 63.24 C ATOM 1383 C ILE A 84 -1.419 8.129 4.545 1.00 74.21 C ATOM 1384 O ILE A 84 -0.925 9.267 4.569 1.00 33.23 O ATOM 1385 CB ILE A 84 -0.272 6.287 3.125 1.00 14.00 C ATOM 1386 CG1 ILE A 84 0.774 5.117 3.172 1.00 60.23 C ATOM 1387 CG2 ILE A 84 0.178 7.378 2.123 1.00 5.11 C ATOM 1388 CD1 ILE A 84 0.934 4.354 1.861 1.00 72.03 C ATOM 0 H ILE A 84 -1.333 4.966 4.939 1.00 74.43 H new ATOM 0 HA ILE A 84 0.445 7.164 4.994 1.00 63.24 H new ATOM 0 HB ILE A 84 -1.226 5.898 2.768 1.00 14.00 H new ATOM 0 HG12 ILE A 84 1.743 5.525 3.460 1.00 60.23 H new ATOM 0 HG13 ILE A 84 0.479 4.415 3.952 1.00 60.23 H new ATOM 0 HG21 ILE A 84 0.334 6.929 1.142 1.00 5.11 H new ATOM 0 HG22 ILE A 84 -0.592 8.147 2.052 1.00 5.11 H new ATOM 0 HG23 ILE A 84 1.109 7.828 2.468 1.00 5.11 H new ATOM 0 HD11 ILE A 84 1.676 3.565 1.987 1.00 72.03 H new ATOM 0 HD12 ILE A 84 -0.021 3.912 1.579 1.00 72.03 H new ATOM 0 HD13 ILE A 84 1.262 5.039 1.079 1.00 72.03 H new ATOM 1400 N ALA A 85 -2.749 7.896 4.548 1.00 53.22 N ATOM 1401 CA ALA A 85 -3.752 8.968 4.673 1.00 25.23 C ATOM 1402 C ALA A 85 -3.680 9.630 6.063 1.00 15.31 C ATOM 1403 O ALA A 85 -3.669 10.853 6.168 1.00 62.10 O ATOM 1404 CB ALA A 85 -5.160 8.420 4.400 1.00 31.24 C ATOM 0 H ALA A 85 -3.153 6.963 4.464 1.00 53.22 H new ATOM 0 HA ALA A 85 -3.531 9.732 3.928 1.00 25.23 H new ATOM 0 HB1 ALA A 85 -5.889 9.225 4.497 1.00 31.24 H new ATOM 0 HB2 ALA A 85 -5.202 8.012 3.390 1.00 31.24 H new ATOM 0 HB3 ALA A 85 -5.390 7.634 5.119 1.00 31.24 H new ATOM 1410 N ASN A 86 -3.566 8.798 7.113 1.00 43.43 N ATOM 1411 CA ASN A 86 -3.553 9.252 8.524 1.00 54.43 C ATOM 1412 C ASN A 86 -2.387 10.215 8.802 1.00 21.20 C ATOM 1413 O ASN A 86 -2.551 11.184 9.553 1.00 14.51 O ATOM 1414 CB ASN A 86 -3.491 8.030 9.475 1.00 71.34 C ATOM 1415 CG ASN A 86 -3.404 8.388 10.964 1.00 1.35 C ATOM 1416 OD1 ASN A 86 -4.422 8.590 11.629 1.00 43.04 O ATOM 1417 ND2 ASN A 86 -2.192 8.471 11.495 1.00 71.04 N ATOM 0 H ASN A 86 -3.480 7.787 7.012 1.00 43.43 H new ATOM 0 HA ASN A 86 -4.477 9.800 8.708 1.00 54.43 H new ATOM 0 HB2 ASN A 86 -4.376 7.414 9.313 1.00 71.34 H new ATOM 0 HB3 ASN A 86 -2.626 7.422 9.209 1.00 71.34 H new ATOM 0 HD21 ASN A 86 -2.082 8.708 12.481 1.00 71.04 H new ATOM 0 HD22 ASN A 86 -1.369 8.298 10.917 1.00 71.04 H new ATOM 1424 N GLU A 87 -1.228 9.948 8.171 1.00 5.14 N ATOM 1425 CA GLU A 87 -0.015 10.744 8.379 1.00 22.14 C ATOM 1426 C GLU A 87 -0.194 12.177 7.841 1.00 52.43 C ATOM 1427 O GLU A 87 0.104 13.144 8.540 1.00 24.40 O ATOM 1428 CB GLU A 87 1.219 10.085 7.705 1.00 4.14 C ATOM 1429 CG GLU A 87 1.508 8.634 8.132 1.00 2.42 C ATOM 1430 CD GLU A 87 1.539 8.445 9.656 1.00 42.12 C ATOM 1431 OE1 GLU A 87 2.517 8.881 10.295 1.00 11.32 O ATOM 1432 OE2 GLU A 87 0.575 7.877 10.223 1.00 60.23 O ATOM 0 H GLU A 87 -1.112 9.180 7.509 1.00 5.14 H new ATOM 0 HA GLU A 87 0.158 10.788 9.454 1.00 22.14 H new ATOM 0 HB2 GLU A 87 1.076 10.106 6.625 1.00 4.14 H new ATOM 0 HB3 GLU A 87 2.098 10.692 7.923 1.00 4.14 H new ATOM 0 HG2 GLU A 87 0.748 7.979 7.707 1.00 2.42 H new ATOM 0 HG3 GLU A 87 2.466 8.323 7.715 1.00 2.42 H new ATOM 1439 N LEU A 88 -0.710 12.298 6.599 1.00 12.30 N ATOM 1440 CA LEU A 88 -0.808 13.593 5.903 1.00 72.01 C ATOM 1441 C LEU A 88 -2.213 14.194 6.075 1.00 62.43 C ATOM 1442 O LEU A 88 -2.369 15.233 6.724 1.00 34.23 O ATOM 1443 CB LEU A 88 -0.410 13.455 4.399 1.00 24.34 C ATOM 1444 CG LEU A 88 1.101 13.143 4.094 1.00 42.31 C ATOM 1445 CD1 LEU A 88 2.066 14.112 4.832 1.00 21.20 C ATOM 1446 CD2 LEU A 88 1.466 11.661 4.361 1.00 1.13 C ATOM 0 H LEU A 88 -1.066 11.509 6.059 1.00 12.30 H new ATOM 0 HA LEU A 88 -0.098 14.284 6.357 1.00 72.01 H new ATOM 0 HB2 LEU A 88 -1.017 12.664 3.958 1.00 24.34 H new ATOM 0 HB3 LEU A 88 -0.675 14.382 3.890 1.00 24.34 H new ATOM 0 HG LEU A 88 1.233 13.314 3.026 1.00 42.31 H new ATOM 0 HD11 LEU A 88 3.097 13.855 4.588 1.00 21.20 H new ATOM 0 HD12 LEU A 88 1.864 15.136 4.518 1.00 21.20 H new ATOM 0 HD13 LEU A 88 1.915 14.026 5.908 1.00 21.20 H new ATOM 0 HD21 LEU A 88 2.520 11.499 4.135 1.00 1.13 H new ATOM 0 HD22 LEU A 88 1.279 11.423 5.408 1.00 1.13 H new ATOM 0 HD23 LEU A 88 0.856 11.016 3.728 1.00 1.13 H new ATOM 1458 N GLY A 89 -3.228 13.516 5.526 1.00 40.44 N ATOM 1459 CA GLY A 89 -4.614 13.984 5.618 1.00 12.24 C ATOM 1460 C GLY A 89 -5.522 13.235 4.658 1.00 1.41 C ATOM 1461 O GLY A 89 -5.767 12.044 4.853 1.00 45.21 O ATOM 0 H GLY A 89 -3.114 12.641 5.014 1.00 40.44 H new ATOM 0 HA2 GLY A 89 -4.976 13.854 6.638 1.00 12.24 H new ATOM 0 HA3 GLY A 89 -4.654 15.051 5.399 1.00 12.24 H new ATOM 1465 N ALA A 90 -6.028 13.953 3.634 1.00 14.53 N ATOM 1466 CA ALA A 90 -6.855 13.382 2.543 1.00 21.15 C ATOM 1467 C ALA A 90 -8.158 12.724 3.055 1.00 44.43 C ATOM 1468 O ALA A 90 -8.603 12.976 4.180 1.00 45.34 O ATOM 1469 CB ALA A 90 -6.023 12.380 1.731 1.00 64.33 C ATOM 0 H ALA A 90 -5.874 14.957 3.538 1.00 14.53 H new ATOM 0 HA ALA A 90 -7.162 14.209 1.902 1.00 21.15 H new ATOM 0 HB1 ALA A 90 -6.635 11.963 0.931 1.00 64.33 H new ATOM 0 HB2 ALA A 90 -5.160 12.888 1.301 1.00 64.33 H new ATOM 0 HB3 ALA A 90 -5.683 11.576 2.384 1.00 64.33 H new ATOM 1475 N LYS A 91 -8.779 11.904 2.186 1.00 53.21 N ATOM 1476 CA LYS A 91 -9.900 11.023 2.557 1.00 35.02 C ATOM 1477 C LYS A 91 -9.436 9.556 2.463 1.00 20.54 C ATOM 1478 O LYS A 91 -8.827 9.043 3.407 1.00 15.13 O ATOM 1479 CB LYS A 91 -11.164 11.296 1.682 1.00 51.12 C ATOM 1480 CG LYS A 91 -11.871 12.646 1.973 1.00 63.14 C ATOM 1481 CD LYS A 91 -13.233 12.779 1.245 1.00 35.25 C ATOM 1482 CE LYS A 91 -13.122 12.856 -0.293 1.00 31.13 C ATOM 1483 NZ LYS A 91 -12.597 14.161 -0.755 1.00 54.14 N ATOM 0 H LYS A 91 -8.515 11.835 1.203 1.00 53.21 H new ATOM 0 HA LYS A 91 -10.197 11.233 3.584 1.00 35.02 H new ATOM 0 HB2 LYS A 91 -10.875 11.271 0.631 1.00 51.12 H new ATOM 0 HB3 LYS A 91 -11.878 10.487 1.835 1.00 51.12 H new ATOM 0 HG2 LYS A 91 -12.027 12.745 3.047 1.00 63.14 H new ATOM 0 HG3 LYS A 91 -11.220 13.465 1.668 1.00 63.14 H new ATOM 0 HD2 LYS A 91 -13.859 11.928 1.511 1.00 35.25 H new ATOM 0 HD3 LYS A 91 -13.740 13.673 1.607 1.00 35.25 H new ATOM 0 HE2 LYS A 91 -12.469 12.058 -0.648 1.00 31.13 H new ATOM 0 HE3 LYS A 91 -14.104 12.685 -0.735 1.00 31.13 H new ATOM 0 HZ1 LYS A 91 -11.875 14.005 -1.487 1.00 54.14 H new ATOM 0 HZ2 LYS A 91 -13.374 14.727 -1.151 1.00 54.14 H new ATOM 0 HZ3 LYS A 91 -12.173 14.668 0.048 1.00 54.14 H new ATOM 1497 N GLN A 92 -9.653 8.904 1.297 1.00 4.30 N ATOM 1498 CA GLN A 92 -9.431 7.447 1.132 1.00 40.13 C ATOM 1499 C GLN A 92 -8.687 7.135 -0.176 1.00 51.23 C ATOM 1500 O GLN A 92 -8.453 8.018 -1.012 1.00 41.23 O ATOM 1501 CB GLN A 92 -10.800 6.686 1.151 1.00 75.12 C ATOM 1502 CG GLN A 92 -11.512 6.628 2.522 1.00 32.31 C ATOM 1503 CD GLN A 92 -10.718 5.843 3.577 1.00 33.10 C ATOM 1504 OE1 GLN A 92 -10.865 4.625 3.720 1.00 51.24 O ATOM 1505 NE2 GLN A 92 -9.876 6.524 4.329 1.00 50.31 N ATOM 0 H GLN A 92 -9.984 9.367 0.451 1.00 4.30 H new ATOM 0 HA GLN A 92 -8.813 7.111 1.965 1.00 40.13 H new ATOM 0 HB2 GLN A 92 -11.469 7.161 0.434 1.00 75.12 H new ATOM 0 HB3 GLN A 92 -10.633 5.666 0.805 1.00 75.12 H new ATOM 0 HG2 GLN A 92 -11.679 7.643 2.882 1.00 32.31 H new ATOM 0 HG3 GLN A 92 -12.493 6.169 2.397 1.00 32.31 H new ATOM 0 HE21 GLN A 92 -9.770 7.529 4.194 1.00 50.31 H new ATOM 0 HE22 GLN A 92 -9.330 6.045 5.046 1.00 50.31 H new ATOM 1514 N SER A 93 -8.334 5.850 -0.325 1.00 75.33 N ATOM 1515 CA SER A 93 -7.722 5.309 -1.537 1.00 52.52 C ATOM 1516 C SER A 93 -8.803 4.934 -2.569 1.00 23.44 C ATOM 1517 O SER A 93 -9.954 4.633 -2.212 1.00 32.53 O ATOM 1518 CB SER A 93 -6.871 4.072 -1.171 1.00 24.14 C ATOM 1519 OG SER A 93 -7.633 3.111 -0.446 1.00 24.43 O ATOM 0 H SER A 93 -8.469 5.152 0.406 1.00 75.33 H new ATOM 0 HA SER A 93 -7.080 6.068 -1.984 1.00 52.52 H new ATOM 0 HB2 SER A 93 -6.479 3.616 -2.080 1.00 24.14 H new ATOM 0 HB3 SER A 93 -6.013 4.383 -0.575 1.00 24.14 H new ATOM 0 HG SER A 93 -7.068 2.340 -0.231 1.00 24.43 H new ATOM 1525 N THR A 94 -8.411 4.959 -3.847 1.00 71.12 N ATOM 1526 CA THR A 94 -9.242 4.521 -4.973 1.00 24.44 C ATOM 1527 C THR A 94 -8.955 3.030 -5.233 1.00 14.32 C ATOM 1528 O THR A 94 -7.831 2.664 -5.587 1.00 35.25 O ATOM 1529 CB THR A 94 -8.907 5.381 -6.246 1.00 73.25 C ATOM 1530 OG1 THR A 94 -9.184 6.759 -5.963 1.00 74.41 O ATOM 1531 CG2 THR A 94 -9.707 4.950 -7.491 1.00 74.31 C ATOM 0 H THR A 94 -7.490 5.291 -4.133 1.00 71.12 H new ATOM 0 HA THR A 94 -10.299 4.655 -4.743 1.00 24.44 H new ATOM 0 HB THR A 94 -7.852 5.228 -6.473 1.00 73.25 H new ATOM 0 HG1 THR A 94 -9.445 7.217 -6.789 1.00 74.41 H new ATOM 0 HG21 THR A 94 -9.432 5.581 -8.336 1.00 74.31 H new ATOM 0 HG22 THR A 94 -9.482 3.910 -7.726 1.00 74.31 H new ATOM 0 HG23 THR A 94 -10.774 5.055 -7.292 1.00 74.31 H new ATOM 1539 N THR A 95 -9.974 2.178 -5.026 1.00 54.00 N ATOM 1540 CA THR A 95 -9.837 0.712 -5.092 1.00 20.12 C ATOM 1541 C THR A 95 -10.479 0.167 -6.382 1.00 55.25 C ATOM 1542 O THR A 95 -11.609 0.525 -6.731 1.00 53.40 O ATOM 1543 CB THR A 95 -10.493 0.052 -3.832 1.00 74.22 C ATOM 1544 OG1 THR A 95 -11.866 0.452 -3.738 1.00 0.05 O ATOM 1545 CG2 THR A 95 -9.756 0.453 -2.537 1.00 4.51 C ATOM 0 H THR A 95 -10.921 2.488 -4.807 1.00 54.00 H new ATOM 0 HA THR A 95 -8.776 0.461 -5.106 1.00 20.12 H new ATOM 0 HB THR A 95 -10.424 -1.030 -3.945 1.00 74.22 H new ATOM 0 HG1 THR A 95 -12.275 0.036 -2.950 1.00 0.05 H new ATOM 0 HG21 THR A 95 -10.237 -0.022 -1.682 1.00 4.51 H new ATOM 0 HG22 THR A 95 -8.717 0.129 -2.595 1.00 4.51 H new ATOM 0 HG23 THR A 95 -9.793 1.536 -2.418 1.00 4.51 H new ATOM 1553 N THR A 96 -9.722 -0.674 -7.093 1.00 44.25 N ATOM 1554 CA THR A 96 -10.119 -1.295 -8.357 1.00 2.53 C ATOM 1555 C THR A 96 -9.745 -2.791 -8.304 1.00 25.02 C ATOM 1556 O THR A 96 -8.555 -3.135 -8.235 1.00 32.23 O ATOM 1557 CB THR A 96 -9.406 -0.606 -9.575 1.00 74.43 C ATOM 1558 OG1 THR A 96 -9.610 0.813 -9.519 1.00 43.04 O ATOM 1559 CG2 THR A 96 -9.926 -1.142 -10.927 1.00 1.52 C ATOM 0 H THR A 96 -8.786 -0.949 -6.794 1.00 44.25 H new ATOM 0 HA THR A 96 -11.194 -1.177 -8.493 1.00 2.53 H new ATOM 0 HB THR A 96 -8.343 -0.838 -9.506 1.00 74.43 H new ATOM 0 HG1 THR A 96 -9.162 1.238 -10.280 1.00 43.04 H new ATOM 0 HG21 THR A 96 -9.406 -0.639 -11.742 1.00 1.52 H new ATOM 0 HG22 THR A 96 -9.743 -2.215 -10.988 1.00 1.52 H new ATOM 0 HG23 THR A 96 -10.996 -0.951 -11.007 1.00 1.52 H new ATOM 1567 N THR A 97 -10.746 -3.679 -8.309 1.00 75.44 N ATOM 1568 CA THR A 97 -10.500 -5.128 -8.332 1.00 71.00 C ATOM 1569 C THR A 97 -10.524 -5.631 -9.791 1.00 44.11 C ATOM 1570 O THR A 97 -11.280 -5.118 -10.629 1.00 62.21 O ATOM 1571 CB THR A 97 -11.521 -5.910 -7.439 1.00 40.23 C ATOM 1572 OG1 THR A 97 -11.136 -7.294 -7.362 1.00 60.32 O ATOM 1573 CG2 THR A 97 -12.975 -5.800 -7.946 1.00 3.34 C ATOM 0 H THR A 97 -11.733 -3.421 -8.297 1.00 75.44 H new ATOM 0 HA THR A 97 -9.514 -5.317 -7.908 1.00 71.00 H new ATOM 0 HB THR A 97 -11.495 -5.452 -6.450 1.00 40.23 H new ATOM 0 HG1 THR A 97 -11.776 -7.781 -6.801 1.00 60.32 H new ATOM 0 HG21 THR A 97 -13.634 -6.363 -7.285 1.00 3.34 H new ATOM 0 HG22 THR A 97 -13.279 -4.753 -7.956 1.00 3.34 H new ATOM 0 HG23 THR A 97 -13.040 -6.206 -8.955 1.00 3.34 H new ATOM 1581 N ASP A 98 -9.683 -6.624 -10.074 1.00 43.32 N ATOM 1582 CA ASP A 98 -9.424 -7.129 -11.432 1.00 24.22 C ATOM 1583 C ASP A 98 -9.192 -8.648 -11.350 1.00 31.14 C ATOM 1584 O ASP A 98 -9.059 -9.192 -10.243 1.00 41.12 O ATOM 1585 CB ASP A 98 -8.198 -6.365 -12.023 1.00 51.25 C ATOM 1586 CG ASP A 98 -7.707 -6.882 -13.389 1.00 14.40 C ATOM 1587 OD1 ASP A 98 -8.379 -6.634 -14.408 1.00 53.12 O ATOM 1588 OD2 ASP A 98 -6.649 -7.546 -13.447 1.00 74.22 O ATOM 0 H ASP A 98 -9.149 -7.113 -9.356 1.00 43.32 H new ATOM 0 HA ASP A 98 -10.270 -6.957 -12.097 1.00 24.22 H new ATOM 0 HB2 ASP A 98 -8.459 -5.311 -12.122 1.00 51.25 H new ATOM 0 HB3 ASP A 98 -7.374 -6.424 -11.311 1.00 51.25 H new ATOM 1593 N GLY A 99 -9.180 -9.327 -12.514 1.00 3.14 N ATOM 1594 CA GLY A 99 -8.925 -10.762 -12.581 1.00 60.33 C ATOM 1595 C GLY A 99 -7.516 -11.131 -12.128 1.00 13.02 C ATOM 1596 O GLY A 99 -7.345 -11.866 -11.150 1.00 74.34 O ATOM 0 H GLY A 99 -9.346 -8.892 -13.422 1.00 3.14 H new ATOM 0 HA2 GLY A 99 -9.651 -11.285 -11.959 1.00 60.33 H new ATOM 0 HA3 GLY A 99 -9.075 -11.106 -13.604 1.00 60.33 H new ATOM 1600 N ASP A 100 -6.505 -10.574 -12.811 1.00 63.40 N ATOM 1601 CA ASP A 100 -5.087 -10.917 -12.583 1.00 31.25 C ATOM 1602 C ASP A 100 -4.482 -9.975 -11.523 1.00 63.21 C ATOM 1603 O ASP A 100 -4.115 -10.407 -10.425 1.00 53.34 O ATOM 1604 CB ASP A 100 -4.289 -10.826 -13.912 1.00 12.42 C ATOM 1605 CG ASP A 100 -4.878 -11.706 -15.031 1.00 4.23 C ATOM 1606 OD1 ASP A 100 -5.806 -11.239 -15.742 1.00 22.52 O ATOM 1607 OD2 ASP A 100 -4.435 -12.865 -15.199 1.00 20.20 O ATOM 0 H ASP A 100 -6.644 -9.872 -13.538 1.00 63.40 H new ATOM 0 HA ASP A 100 -5.026 -11.942 -12.216 1.00 31.25 H new ATOM 0 HB2 ASP A 100 -4.268 -9.789 -14.246 1.00 12.42 H new ATOM 0 HB3 ASP A 100 -3.256 -11.123 -13.730 1.00 12.42 H new ATOM 1612 N THR A 101 -4.421 -8.677 -11.855 1.00 21.24 N ATOM 1613 CA THR A 101 -3.839 -7.642 -10.985 1.00 73.05 C ATOM 1614 C THR A 101 -4.882 -7.166 -9.938 1.00 21.34 C ATOM 1615 O THR A 101 -6.055 -7.544 -9.989 1.00 4.52 O ATOM 1616 CB THR A 101 -3.318 -6.437 -11.851 1.00 65.34 C ATOM 1617 OG1 THR A 101 -2.707 -6.950 -13.047 1.00 64.35 O ATOM 1618 CG2 THR A 101 -2.275 -5.566 -11.101 1.00 64.23 C ATOM 0 H THR A 101 -4.776 -8.313 -12.739 1.00 21.24 H new ATOM 0 HA THR A 101 -2.992 -8.068 -10.447 1.00 73.05 H new ATOM 0 HB THR A 101 -4.178 -5.806 -12.078 1.00 65.34 H new ATOM 0 HG1 THR A 101 -2.381 -6.205 -13.593 1.00 64.35 H new ATOM 0 HG21 THR A 101 -1.951 -4.750 -11.747 1.00 64.23 H new ATOM 0 HG22 THR A 101 -2.726 -5.156 -10.197 1.00 64.23 H new ATOM 0 HG23 THR A 101 -1.415 -6.179 -10.832 1.00 64.23 H new ATOM 1626 N PHE A 102 -4.424 -6.385 -8.962 1.00 22.52 N ATOM 1627 CA PHE A 102 -5.265 -5.764 -7.941 1.00 2.41 C ATOM 1628 C PHE A 102 -4.723 -4.346 -7.718 1.00 35.42 C ATOM 1629 O PHE A 102 -3.631 -4.185 -7.168 1.00 60.50 O ATOM 1630 CB PHE A 102 -5.219 -6.622 -6.644 1.00 74.35 C ATOM 1631 CG PHE A 102 -6.149 -6.167 -5.515 1.00 33.30 C ATOM 1632 CD1 PHE A 102 -7.539 -6.143 -5.698 1.00 42.22 C ATOM 1633 CD2 PHE A 102 -5.645 -5.775 -4.267 1.00 21.33 C ATOM 1634 CE1 PHE A 102 -8.384 -5.747 -4.674 1.00 13.40 C ATOM 1635 CE2 PHE A 102 -6.494 -5.383 -3.245 1.00 24.44 C ATOM 1636 CZ PHE A 102 -7.861 -5.367 -3.449 1.00 62.33 C ATOM 0 H PHE A 102 -3.434 -6.161 -8.857 1.00 22.52 H new ATOM 0 HA PHE A 102 -6.310 -5.707 -8.247 1.00 2.41 H new ATOM 0 HB2 PHE A 102 -5.467 -7.652 -6.902 1.00 74.35 H new ATOM 0 HB3 PHE A 102 -4.196 -6.625 -6.268 1.00 74.35 H new ATOM 0 HD1 PHE A 102 -7.956 -6.437 -6.650 1.00 42.22 H new ATOM 0 HD2 PHE A 102 -4.578 -5.779 -4.100 1.00 21.33 H new ATOM 0 HE1 PHE A 102 -9.452 -5.735 -4.831 1.00 13.40 H new ATOM 0 HE2 PHE A 102 -6.088 -5.090 -2.288 1.00 24.44 H new ATOM 0 HZ PHE A 102 -8.522 -5.058 -2.653 1.00 62.33 H new ATOM 1646 N GLU A 103 -5.473 -3.339 -8.186 1.00 55.10 N ATOM 1647 CA GLU A 103 -5.040 -1.929 -8.176 1.00 54.40 C ATOM 1648 C GLU A 103 -5.764 -1.173 -7.068 1.00 32.31 C ATOM 1649 O GLU A 103 -6.970 -1.008 -7.125 1.00 44.34 O ATOM 1650 CB GLU A 103 -5.354 -1.273 -9.550 1.00 63.04 C ATOM 1651 CG GLU A 103 -5.048 0.247 -9.660 1.00 31.23 C ATOM 1652 CD GLU A 103 -3.543 0.586 -9.667 1.00 14.02 C ATOM 1653 OE1 GLU A 103 -2.897 0.378 -10.721 1.00 32.10 O ATOM 1654 OE2 GLU A 103 -3.015 1.120 -8.659 1.00 21.13 O ATOM 0 H GLU A 103 -6.402 -3.477 -8.585 1.00 55.10 H new ATOM 0 HA GLU A 103 -3.966 -1.887 -7.995 1.00 54.40 H new ATOM 0 HB2 GLU A 103 -4.785 -1.795 -10.319 1.00 63.04 H new ATOM 0 HB3 GLU A 103 -6.409 -1.429 -9.773 1.00 63.04 H new ATOM 0 HG2 GLU A 103 -5.501 0.633 -10.573 1.00 31.23 H new ATOM 0 HG3 GLU A 103 -5.522 0.764 -8.826 1.00 31.23 H new ATOM 1661 N VAL A 104 -5.023 -0.736 -6.059 1.00 64.50 N ATOM 1662 CA VAL A 104 -5.512 0.187 -5.029 1.00 33.42 C ATOM 1663 C VAL A 104 -4.524 1.350 -4.965 1.00 41.20 C ATOM 1664 O VAL A 104 -3.453 1.229 -4.382 1.00 63.34 O ATOM 1665 CB VAL A 104 -5.615 -0.530 -3.620 1.00 21.15 C ATOM 1666 CG1 VAL A 104 -5.975 0.467 -2.486 1.00 14.21 C ATOM 1667 CG2 VAL A 104 -6.625 -1.699 -3.669 1.00 35.12 C ATOM 0 H VAL A 104 -4.050 -1.013 -5.926 1.00 64.50 H new ATOM 0 HA VAL A 104 -6.513 0.537 -5.280 1.00 33.42 H new ATOM 0 HB VAL A 104 -4.630 -0.937 -3.391 1.00 21.15 H new ATOM 0 HG11 VAL A 104 -6.035 -0.067 -1.538 1.00 14.21 H new ATOM 0 HG12 VAL A 104 -5.206 1.237 -2.421 1.00 14.21 H new ATOM 0 HG13 VAL A 104 -6.937 0.932 -2.702 1.00 14.21 H new ATOM 0 HG21 VAL A 104 -6.678 -2.175 -2.690 1.00 35.12 H new ATOM 0 HG22 VAL A 104 -7.609 -1.318 -3.941 1.00 35.12 H new ATOM 0 HG23 VAL A 104 -6.301 -2.429 -4.411 1.00 35.12 H new ATOM 1677 N GLU A 105 -4.884 2.490 -5.542 1.00 53.34 N ATOM 1678 CA GLU A 105 -3.992 3.661 -5.584 1.00 31.50 C ATOM 1679 C GLU A 105 -4.486 4.668 -4.543 1.00 62.01 C ATOM 1680 O GLU A 105 -5.684 4.905 -4.428 1.00 20.14 O ATOM 1681 CB GLU A 105 -3.922 4.254 -7.036 1.00 33.32 C ATOM 1682 CG GLU A 105 -5.054 5.212 -7.452 1.00 11.43 C ATOM 1683 CD GLU A 105 -5.071 5.531 -8.958 1.00 51.52 C ATOM 1684 OE1 GLU A 105 -4.009 5.887 -9.514 1.00 22.23 O ATOM 1685 OE2 GLU A 105 -6.135 5.392 -9.602 1.00 44.03 O ATOM 0 H GLU A 105 -5.788 2.637 -5.991 1.00 53.34 H new ATOM 0 HA GLU A 105 -2.968 3.382 -5.334 1.00 31.50 H new ATOM 0 HB2 GLU A 105 -2.974 4.782 -7.142 1.00 33.32 H new ATOM 0 HB3 GLU A 105 -3.904 3.423 -7.741 1.00 33.32 H new ATOM 0 HG2 GLU A 105 -6.011 4.773 -7.172 1.00 11.43 H new ATOM 0 HG3 GLU A 105 -4.954 6.143 -6.893 1.00 11.43 H new ATOM 1692 N VAL A 106 -3.568 5.228 -3.748 1.00 11.14 N ATOM 1693 CA VAL A 106 -3.924 6.172 -2.686 1.00 31.43 C ATOM 1694 C VAL A 106 -3.726 7.588 -3.234 1.00 3.10 C ATOM 1695 O VAL A 106 -2.589 8.048 -3.409 1.00 22.25 O ATOM 1696 CB VAL A 106 -3.037 5.957 -1.389 1.00 65.54 C ATOM 1697 CG1 VAL A 106 -3.629 6.703 -0.170 1.00 15.52 C ATOM 1698 CG2 VAL A 106 -2.824 4.453 -1.082 1.00 31.34 C ATOM 0 H VAL A 106 -2.568 5.042 -3.822 1.00 11.14 H new ATOM 0 HA VAL A 106 -4.961 6.011 -2.391 1.00 31.43 H new ATOM 0 HB VAL A 106 -2.057 6.387 -1.594 1.00 65.54 H new ATOM 0 HG11 VAL A 106 -2.997 6.535 0.702 1.00 15.52 H new ATOM 0 HG12 VAL A 106 -3.675 7.771 -0.384 1.00 15.52 H new ATOM 0 HG13 VAL A 106 -4.633 6.330 0.032 1.00 15.52 H new ATOM 0 HG21 VAL A 106 -2.212 4.348 -0.186 1.00 31.34 H new ATOM 0 HG22 VAL A 106 -3.790 3.974 -0.920 1.00 31.34 H new ATOM 0 HG23 VAL A 106 -2.321 3.978 -1.924 1.00 31.34 H new ATOM 1708 N ILE A 107 -4.851 8.252 -3.541 1.00 44.33 N ATOM 1709 CA ILE A 107 -4.860 9.635 -4.021 1.00 43.23 C ATOM 1710 C ILE A 107 -5.054 10.554 -2.817 1.00 24.03 C ATOM 1711 O ILE A 107 -6.177 10.715 -2.301 1.00 61.33 O ATOM 1712 CB ILE A 107 -5.984 9.884 -5.098 1.00 1.45 C ATOM 1713 CG1 ILE A 107 -5.831 8.884 -6.290 1.00 70.13 C ATOM 1714 CG2 ILE A 107 -5.977 11.362 -5.597 1.00 34.51 C ATOM 1715 CD1 ILE A 107 -6.936 8.967 -7.330 1.00 51.44 C ATOM 0 H ILE A 107 -5.781 7.840 -3.462 1.00 44.33 H new ATOM 0 HA ILE A 107 -3.911 9.845 -4.514 1.00 43.23 H new ATOM 0 HB ILE A 107 -6.950 9.706 -4.625 1.00 1.45 H new ATOM 0 HG12 ILE A 107 -4.874 9.066 -6.780 1.00 70.13 H new ATOM 0 HG13 ILE A 107 -5.798 7.869 -5.894 1.00 70.13 H new ATOM 0 HG21 ILE A 107 -6.764 11.499 -6.339 1.00 34.51 H new ATOM 0 HG22 ILE A 107 -6.151 12.031 -4.755 1.00 34.51 H new ATOM 0 HG23 ILE A 107 -5.011 11.589 -6.047 1.00 34.51 H new ATOM 0 HD11 ILE A 107 -6.749 8.239 -8.119 1.00 51.44 H new ATOM 0 HD12 ILE A 107 -7.896 8.753 -6.859 1.00 51.44 H new ATOM 0 HD13 ILE A 107 -6.958 9.969 -7.759 1.00 51.44 H new ATOM 1727 N LEU A 108 -3.943 11.112 -2.339 1.00 34.31 N ATOM 1728 CA LEU A 108 -3.949 12.039 -1.215 1.00 63.32 C ATOM 1729 C LEU A 108 -4.279 13.450 -1.711 1.00 71.41 C ATOM 1730 O LEU A 108 -3.703 13.926 -2.684 1.00 62.54 O ATOM 1731 CB LEU A 108 -2.591 12.024 -0.472 1.00 3.43 C ATOM 1732 CG LEU A 108 -2.192 10.686 0.227 1.00 52.12 C ATOM 1733 CD1 LEU A 108 -0.922 10.874 1.070 1.00 62.14 C ATOM 1734 CD2 LEU A 108 -3.338 10.126 1.096 1.00 3.31 C ATOM 0 H LEU A 108 -3.015 10.932 -2.722 1.00 34.31 H new ATOM 0 HA LEU A 108 -4.715 11.722 -0.507 1.00 63.32 H new ATOM 0 HB2 LEU A 108 -1.809 12.282 -1.186 1.00 3.43 H new ATOM 0 HB3 LEU A 108 -2.606 12.811 0.282 1.00 3.43 H new ATOM 0 HG LEU A 108 -1.990 9.957 -0.558 1.00 52.12 H new ATOM 0 HD11 LEU A 108 -0.660 9.931 1.549 1.00 62.14 H new ATOM 0 HD12 LEU A 108 -0.102 11.194 0.427 1.00 62.14 H new ATOM 0 HD13 LEU A 108 -1.101 11.631 1.833 1.00 62.14 H new ATOM 0 HD21 LEU A 108 -3.018 9.195 1.564 1.00 3.31 H new ATOM 0 HD22 LEU A 108 -3.596 10.850 1.869 1.00 3.31 H new ATOM 0 HD23 LEU A 108 -4.210 9.937 0.470 1.00 3.31 H new ATOM 1746 N GLU A 109 -5.253 14.088 -1.062 1.00 54.42 N ATOM 1747 CA GLU A 109 -5.644 15.472 -1.355 1.00 3.44 C ATOM 1748 C GLU A 109 -4.822 16.415 -0.478 1.00 34.10 C ATOM 1749 O GLU A 109 -5.253 16.810 0.612 1.00 54.42 O ATOM 1750 CB GLU A 109 -7.154 15.633 -1.083 1.00 72.25 C ATOM 1751 CG GLU A 109 -8.013 14.586 -1.810 1.00 32.53 C ATOM 1752 CD GLU A 109 -9.463 14.579 -1.350 1.00 22.10 C ATOM 1753 OE1 GLU A 109 -9.719 14.112 -0.219 1.00 2.51 O ATOM 1754 OE2 GLU A 109 -10.347 15.039 -2.101 1.00 4.54 O ATOM 0 H GLU A 109 -5.798 13.659 -0.314 1.00 54.42 H new ATOM 0 HA GLU A 109 -5.452 15.716 -2.400 1.00 3.44 H new ATOM 0 HB2 GLU A 109 -7.334 15.560 -0.010 1.00 72.25 H new ATOM 0 HB3 GLU A 109 -7.468 16.630 -1.392 1.00 72.25 H new ATOM 0 HG2 GLU A 109 -7.979 14.779 -2.882 1.00 32.53 H new ATOM 0 HG3 GLU A 109 -7.583 13.597 -1.650 1.00 32.53 H new ATOM 1761 N LEU A 110 -3.603 16.723 -0.936 1.00 14.13 N ATOM 1762 CA LEU A 110 -2.606 17.464 -0.149 1.00 4.43 C ATOM 1763 C LEU A 110 -1.959 18.561 -1.015 1.00 1.32 C ATOM 1764 O LEU A 110 -1.008 18.307 -1.756 1.00 32.03 O ATOM 1765 CB LEU A 110 -1.531 16.478 0.445 1.00 75.11 C ATOM 1766 CG LEU A 110 -1.816 15.872 1.870 1.00 71.22 C ATOM 1767 CD1 LEU A 110 -2.091 16.981 2.906 1.00 13.22 C ATOM 1768 CD2 LEU A 110 -2.941 14.814 1.877 1.00 52.44 C ATOM 0 H LEU A 110 -3.277 16.465 -1.867 1.00 14.13 H new ATOM 0 HA LEU A 110 -3.101 17.951 0.691 1.00 4.43 H new ATOM 0 HB2 LEU A 110 -1.409 15.651 -0.255 1.00 75.11 H new ATOM 0 HB3 LEU A 110 -0.577 17.004 0.487 1.00 75.11 H new ATOM 0 HG LEU A 110 -0.905 15.346 2.157 1.00 71.22 H new ATOM 0 HD11 LEU A 110 -2.284 16.530 3.879 1.00 13.22 H new ATOM 0 HD12 LEU A 110 -1.223 17.637 2.976 1.00 13.22 H new ATOM 0 HD13 LEU A 110 -2.960 17.561 2.596 1.00 13.22 H new ATOM 0 HD21 LEU A 110 -3.083 14.440 2.891 1.00 52.44 H new ATOM 0 HD22 LEU A 110 -3.868 15.266 1.524 1.00 52.44 H new ATOM 0 HD23 LEU A 110 -2.668 13.988 1.221 1.00 52.44 H new