USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 449 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 33 MET CE :methyl -173:sc= -0.242 (180deg=-0.296) USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= -0.0322 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 136:sc= -0.0924 (180deg=-0.532) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.02 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 59 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.07) USER MOD Single : A 62 TYR OH : rot 69:sc= -0.174 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -111:sc= -0.652 (180deg=-4.57!) USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 10.858 -10.315 -3.483 1.00 41.15 N ATOM 68 CA GLU A 6 12.035 -10.235 -4.340 1.00 43.42 C ATOM 69 C GLU A 6 12.943 -11.443 -4.132 1.00 23.21 C ATOM 70 O GLU A 6 13.163 -12.232 -5.050 1.00 61.22 O ATOM 71 CB GLU A 6 12.811 -8.946 -4.059 1.00 52.25 C ATOM 72 CG GLU A 6 12.064 -7.686 -4.464 1.00 1.34 C ATOM 73 CD GLU A 6 12.089 -6.621 -3.384 1.00 34.42 C ATOM 74 OE1 GLU A 6 13.099 -6.540 -2.655 1.00 24.23 O ATOM 75 OE2 GLU A 6 11.098 -5.870 -3.268 1.00 30.34 O ATOM 0 HA GLU A 6 11.698 -10.230 -5.377 1.00 43.42 H new ATOM 0 HB2 GLU A 6 13.042 -8.895 -2.995 1.00 52.25 H new ATOM 0 HB3 GLU A 6 13.762 -8.981 -4.590 1.00 52.25 H new ATOM 0 HG2 GLU A 6 12.505 -7.284 -5.376 1.00 1.34 H new ATOM 0 HG3 GLU A 6 11.029 -7.940 -4.695 1.00 1.34 H new ATOM 82 N GLU A 7 13.468 -11.580 -2.918 1.00 52.20 N ATOM 83 CA GLU A 7 14.353 -12.691 -2.590 1.00 20.03 C ATOM 84 C GLU A 7 13.631 -14.026 -2.747 1.00 65.44 C ATOM 85 O GLU A 7 14.251 -15.046 -3.047 1.00 23.31 O ATOM 86 CB GLU A 7 14.878 -12.548 -1.160 1.00 22.44 C ATOM 87 CG GLU A 7 16.011 -13.505 -0.829 1.00 64.21 C ATOM 88 CD GLU A 7 17.204 -12.805 -0.207 1.00 52.32 C ATOM 89 OE1 GLU A 7 17.080 -12.331 0.942 1.00 53.44 O ATOM 90 OE2 GLU A 7 18.260 -12.730 -0.869 1.00 22.24 O ATOM 0 H GLU A 7 13.296 -10.936 -2.146 1.00 52.20 H new ATOM 0 HA GLU A 7 15.194 -12.669 -3.283 1.00 20.03 H new ATOM 0 HB2 GLU A 7 15.222 -11.525 -1.009 1.00 22.44 H new ATOM 0 HB3 GLU A 7 14.057 -12.715 -0.462 1.00 22.44 H new ATOM 0 HG2 GLU A 7 15.646 -14.271 -0.144 1.00 64.21 H new ATOM 0 HG3 GLU A 7 16.328 -14.015 -1.739 1.00 64.21 H new ATOM 97 N GLU A 8 12.318 -14.010 -2.543 1.00 20.42 N ATOM 98 CA GLU A 8 11.512 -15.220 -2.661 1.00 25.22 C ATOM 99 C GLU A 8 11.542 -15.756 -4.089 1.00 62.32 C ATOM 100 O GLU A 8 11.176 -16.905 -4.340 1.00 22.12 O ATOM 101 CB GLU A 8 10.068 -14.941 -2.239 1.00 63.11 C ATOM 102 CG GLU A 8 9.444 -16.062 -1.425 1.00 65.32 C ATOM 103 CD GLU A 8 9.059 -15.623 -0.026 1.00 55.33 C ATOM 104 OE1 GLU A 8 9.852 -14.895 0.606 1.00 24.14 O ATOM 105 OE2 GLU A 8 7.964 -16.006 0.436 1.00 53.11 O ATOM 0 H GLU A 8 11.790 -13.173 -2.295 1.00 20.42 H new ATOM 0 HA GLU A 8 11.937 -15.975 -1.999 1.00 25.22 H new ATOM 0 HB2 GLU A 8 10.040 -14.021 -1.655 1.00 63.11 H new ATOM 0 HB3 GLU A 8 9.464 -14.771 -3.130 1.00 63.11 H new ATOM 0 HG2 GLU A 8 8.559 -16.432 -1.942 1.00 65.32 H new ATOM 0 HG3 GLU A 8 10.146 -16.893 -1.361 1.00 65.32 H new ATOM 112 N ILE A 9 11.980 -14.916 -5.021 1.00 74.32 N ATOM 113 CA ILE A 9 12.058 -15.305 -6.424 1.00 35.43 C ATOM 114 C ILE A 9 13.339 -16.081 -6.709 1.00 20.35 C ATOM 115 O ILE A 9 13.335 -17.049 -7.469 1.00 74.22 O ATOM 116 CB ILE A 9 11.996 -14.078 -7.353 1.00 24.44 C ATOM 117 CG1 ILE A 9 10.766 -13.228 -7.030 1.00 3.25 C ATOM 118 CG2 ILE A 9 11.976 -14.517 -8.809 1.00 70.31 C ATOM 119 CD1 ILE A 9 10.721 -11.919 -7.786 1.00 41.14 C ATOM 0 H ILE A 9 12.286 -13.962 -4.830 1.00 74.32 H new ATOM 0 HA ILE A 9 11.198 -15.944 -6.622 1.00 35.43 H new ATOM 0 HB ILE A 9 12.886 -13.471 -7.189 1.00 24.44 H new ATOM 0 HG12 ILE A 9 9.868 -13.802 -7.259 1.00 3.25 H new ATOM 0 HG13 ILE A 9 10.748 -13.021 -5.960 1.00 3.25 H new ATOM 0 HG21 ILE A 9 11.932 -13.639 -9.453 1.00 70.31 H new ATOM 0 HG22 ILE A 9 12.880 -15.085 -9.030 1.00 70.31 H new ATOM 0 HG23 ILE A 9 11.102 -15.143 -8.988 1.00 70.31 H new ATOM 0 HD11 ILE A 9 9.822 -11.369 -7.508 1.00 41.14 H new ATOM 0 HD12 ILE A 9 11.601 -11.326 -7.539 1.00 41.14 H new ATOM 0 HD13 ILE A 9 10.707 -12.118 -8.858 1.00 41.14 H new ATOM 131 N ARG A 10 14.434 -15.651 -6.091 1.00 45.34 N ATOM 132 CA ARG A 10 15.724 -16.305 -6.278 1.00 32.20 C ATOM 133 C ARG A 10 15.612 -17.806 -6.029 1.00 25.55 C ATOM 134 O ARG A 10 16.167 -18.612 -6.775 1.00 44.33 O ATOM 135 CB ARG A 10 16.769 -15.698 -5.340 1.00 54.32 C ATOM 136 CG ARG A 10 17.572 -14.572 -5.971 1.00 13.22 C ATOM 137 CD ARG A 10 18.595 -14.005 -4.999 1.00 34.02 C ATOM 138 NE ARG A 10 19.854 -13.674 -5.661 1.00 13.14 N ATOM 139 CZ ARG A 10 20.885 -13.113 -5.039 1.00 63.24 C ATOM 140 NH1 ARG A 10 20.808 -12.823 -3.748 1.00 32.10 N ATOM 141 NH2 ARG A 10 21.998 -12.842 -5.710 1.00 33.10 N ATOM 0 H ARG A 10 14.454 -14.853 -5.456 1.00 45.34 H new ATOM 0 HA ARG A 10 16.038 -16.147 -7.310 1.00 32.20 H new ATOM 0 HB2 ARG A 10 16.269 -15.321 -4.448 1.00 54.32 H new ATOM 0 HB3 ARG A 10 17.452 -16.482 -5.015 1.00 54.32 H new ATOM 0 HG2 ARG A 10 18.080 -14.941 -6.862 1.00 13.22 H new ATOM 0 HG3 ARG A 10 16.897 -13.779 -6.294 1.00 13.22 H new ATOM 0 HD2 ARG A 10 18.189 -13.111 -4.525 1.00 34.02 H new ATOM 0 HD3 ARG A 10 18.782 -14.729 -4.206 1.00 34.02 H new ATOM 0 HE ARG A 10 19.947 -13.885 -6.655 1.00 13.14 H new ATOM 0 HH11 ARG A 10 19.955 -13.031 -3.229 1.00 32.10 H new ATOM 0 HH12 ARG A 10 21.602 -12.392 -3.274 1.00 32.10 H new ATOM 0 HH21 ARG A 10 22.062 -13.065 -6.703 1.00 33.10 H new ATOM 0 HH22 ARG A 10 22.790 -12.411 -5.232 1.00 33.10 H new ATOM 155 N GLU A 11 14.892 -18.174 -4.973 1.00 61.15 N ATOM 156 CA GLU A 11 14.710 -19.578 -4.626 1.00 32.44 C ATOM 157 C GLU A 11 13.614 -20.212 -5.478 1.00 64.41 C ATOM 158 O GLU A 11 13.596 -21.426 -5.682 1.00 44.25 O ATOM 159 CB GLU A 11 14.362 -19.718 -3.142 1.00 70.41 C ATOM 160 CG GLU A 11 13.882 -21.108 -2.758 1.00 10.10 C ATOM 161 CD GLU A 11 14.365 -21.533 -1.385 1.00 65.32 C ATOM 162 OE1 GLU A 11 14.257 -20.723 -0.441 1.00 52.22 O ATOM 163 OE2 GLU A 11 14.852 -22.676 -1.255 1.00 4.33 O ATOM 0 H GLU A 11 14.426 -17.520 -4.344 1.00 61.15 H new ATOM 0 HA GLU A 11 15.647 -20.099 -4.824 1.00 32.44 H new ATOM 0 HB2 GLU A 11 15.240 -19.469 -2.546 1.00 70.41 H new ATOM 0 HB3 GLU A 11 13.589 -18.993 -2.889 1.00 70.41 H new ATOM 0 HG2 GLU A 11 12.792 -21.131 -2.779 1.00 10.10 H new ATOM 0 HG3 GLU A 11 14.230 -21.826 -3.500 1.00 10.10 H new ATOM 170 N ALA A 12 12.702 -19.382 -5.972 1.00 42.23 N ATOM 171 CA ALA A 12 11.604 -19.860 -6.804 1.00 4.35 C ATOM 172 C ALA A 12 12.117 -20.393 -8.137 1.00 22.11 C ATOM 173 O ALA A 12 11.607 -21.385 -8.658 1.00 21.34 O ATOM 174 CB ALA A 12 10.592 -18.747 -7.032 1.00 43.12 C ATOM 0 H ALA A 12 12.701 -18.375 -5.811 1.00 42.23 H new ATOM 0 HA ALA A 12 11.114 -20.680 -6.280 1.00 4.35 H new ATOM 0 HB1 ALA A 12 9.778 -19.118 -7.655 1.00 43.12 H new ATOM 0 HB2 ALA A 12 10.194 -18.415 -6.073 1.00 43.12 H new ATOM 0 HB3 ALA A 12 11.079 -17.910 -7.532 1.00 43.12 H new ATOM 180 N PHE A 13 13.129 -19.728 -8.685 1.00 55.04 N ATOM 181 CA PHE A 13 13.709 -20.135 -9.960 1.00 4.53 C ATOM 182 C PHE A 13 14.695 -21.283 -9.766 1.00 70.24 C ATOM 183 O PHE A 13 15.026 -21.997 -10.713 1.00 45.33 O ATOM 184 CB PHE A 13 14.414 -18.950 -10.624 1.00 55.25 C ATOM 185 CG PHE A 13 13.522 -18.159 -11.539 1.00 2.23 C ATOM 186 CD1 PHE A 13 13.266 -18.597 -12.828 1.00 43.30 C ATOM 187 CD2 PHE A 13 12.941 -16.977 -11.109 1.00 14.13 C ATOM 188 CE1 PHE A 13 12.446 -17.871 -13.672 1.00 22.42 C ATOM 189 CE2 PHE A 13 12.119 -16.248 -11.948 1.00 4.33 C ATOM 190 CZ PHE A 13 11.873 -16.695 -13.231 1.00 51.32 C ATOM 0 H PHE A 13 13.564 -18.906 -8.267 1.00 55.04 H new ATOM 0 HA PHE A 13 12.901 -20.478 -10.606 1.00 4.53 H new ATOM 0 HB2 PHE A 13 14.805 -18.290 -9.850 1.00 55.25 H new ATOM 0 HB3 PHE A 13 15.269 -19.317 -11.191 1.00 55.25 H new ATOM 0 HD1 PHE A 13 13.712 -19.516 -13.178 1.00 43.30 H new ATOM 0 HD2 PHE A 13 13.132 -16.621 -10.107 1.00 14.13 H new ATOM 0 HE1 PHE A 13 12.254 -18.223 -14.675 1.00 22.42 H new ATOM 0 HE2 PHE A 13 11.670 -15.330 -11.600 1.00 4.33 H new ATOM 0 HZ PHE A 13 11.233 -16.125 -13.889 1.00 51.32 H new ATOM 200 N ARG A 14 15.160 -21.455 -8.533 1.00 52.12 N ATOM 201 CA ARG A 14 16.109 -22.515 -8.215 1.00 73.01 C ATOM 202 C ARG A 14 15.391 -23.848 -8.025 1.00 70.11 C ATOM 203 O ARG A 14 15.908 -24.902 -8.397 1.00 14.12 O ATOM 204 CB ARG A 14 16.895 -22.162 -6.951 1.00 62.33 C ATOM 205 CG ARG A 14 17.958 -23.187 -6.589 1.00 73.23 C ATOM 206 CD ARG A 14 18.617 -22.860 -5.259 1.00 11.15 C ATOM 207 NE ARG A 14 17.794 -23.271 -4.124 1.00 54.43 N ATOM 208 CZ ARG A 14 18.213 -23.245 -2.864 1.00 62.12 C ATOM 209 NH1 ARG A 14 19.440 -22.830 -2.579 1.00 33.23 N ATOM 210 NH2 ARG A 14 17.405 -23.635 -1.887 1.00 1.45 N ATOM 0 H ARG A 14 14.895 -20.874 -7.738 1.00 52.12 H new ATOM 0 HA ARG A 14 16.802 -22.611 -9.051 1.00 73.01 H new ATOM 0 HB2 ARG A 14 17.370 -21.191 -7.088 1.00 62.33 H new ATOM 0 HB3 ARG A 14 16.200 -22.062 -6.117 1.00 62.33 H new ATOM 0 HG2 ARG A 14 17.507 -24.178 -6.539 1.00 73.23 H new ATOM 0 HG3 ARG A 14 18.715 -23.220 -7.373 1.00 73.23 H new ATOM 0 HD2 ARG A 14 19.586 -23.356 -5.203 1.00 11.15 H new ATOM 0 HD3 ARG A 14 18.804 -21.788 -5.201 1.00 11.15 H new ATOM 0 HE ARG A 14 16.845 -23.596 -4.310 1.00 54.43 H new ATOM 0 HH11 ARG A 14 20.064 -22.530 -3.328 1.00 33.23 H new ATOM 0 HH12 ARG A 14 19.760 -22.811 -1.611 1.00 33.23 H new ATOM 0 HH21 ARG A 14 16.461 -23.955 -2.103 1.00 1.45 H new ATOM 0 HH22 ARG A 14 17.728 -23.615 -0.920 1.00 1.45 H new ATOM 224 N VAL A 15 14.197 -23.794 -7.443 1.00 41.21 N ATOM 225 CA VAL A 15 13.408 -24.996 -7.204 1.00 32.20 C ATOM 226 C VAL A 15 13.144 -25.748 -8.504 1.00 22.13 C ATOM 227 O VAL A 15 12.889 -26.953 -8.496 1.00 1.40 O ATOM 228 CB VAL A 15 12.061 -24.660 -6.536 1.00 63.00 C ATOM 229 CG1 VAL A 15 11.226 -25.918 -6.355 1.00 21.32 C ATOM 230 CG2 VAL A 15 12.288 -23.964 -5.203 1.00 14.24 C ATOM 0 H VAL A 15 13.755 -22.930 -7.128 1.00 41.21 H new ATOM 0 HA VAL A 15 13.990 -25.628 -6.534 1.00 32.20 H new ATOM 0 HB VAL A 15 11.512 -23.980 -7.187 1.00 63.00 H new ATOM 0 HG11 VAL A 15 10.278 -25.661 -5.882 1.00 21.32 H new ATOM 0 HG12 VAL A 15 11.035 -26.371 -7.328 1.00 21.32 H new ATOM 0 HG13 VAL A 15 11.766 -26.625 -5.725 1.00 21.32 H new ATOM 0 HG21 VAL A 15 11.326 -23.734 -4.744 1.00 14.24 H new ATOM 0 HG22 VAL A 15 12.857 -24.619 -4.543 1.00 14.24 H new ATOM 0 HG23 VAL A 15 12.843 -23.040 -5.365 1.00 14.24 H new ATOM 240 N PHE A 16 13.208 -25.030 -9.620 1.00 1.32 N ATOM 241 CA PHE A 16 12.976 -25.629 -10.929 1.00 12.31 C ATOM 242 C PHE A 16 14.186 -26.443 -11.377 1.00 31.12 C ATOM 243 O PHE A 16 14.119 -27.668 -11.483 1.00 13.12 O ATOM 244 CB PHE A 16 12.666 -24.543 -11.962 1.00 65.53 C ATOM 245 CG PHE A 16 11.274 -23.991 -11.853 1.00 2.22 C ATOM 246 CD1 PHE A 16 10.175 -24.834 -11.892 1.00 41.32 C ATOM 247 CD2 PHE A 16 11.064 -22.629 -11.710 1.00 4.21 C ATOM 248 CE1 PHE A 16 8.893 -24.328 -11.792 1.00 51.44 C ATOM 249 CE2 PHE A 16 9.784 -22.117 -11.609 1.00 44.12 C ATOM 250 CZ PHE A 16 8.697 -22.968 -11.650 1.00 3.35 C ATOM 0 H PHE A 16 13.419 -24.032 -9.644 1.00 1.32 H new ATOM 0 HA PHE A 16 12.120 -26.299 -10.848 1.00 12.31 H new ATOM 0 HB2 PHE A 16 13.381 -23.729 -11.847 1.00 65.53 H new ATOM 0 HB3 PHE A 16 12.808 -24.953 -12.962 1.00 65.53 H new ATOM 0 HD1 PHE A 16 10.322 -25.898 -12.002 1.00 41.32 H new ATOM 0 HD2 PHE A 16 11.911 -21.959 -11.677 1.00 4.21 H new ATOM 0 HE1 PHE A 16 8.045 -24.996 -11.825 1.00 51.44 H new ATOM 0 HE2 PHE A 16 9.634 -21.053 -11.498 1.00 44.12 H new ATOM 0 HZ PHE A 16 7.696 -22.571 -11.571 1.00 3.35 H new ATOM 260 N ASP A 17 15.291 -25.754 -11.639 1.00 30.02 N ATOM 261 CA ASP A 17 16.517 -26.412 -12.075 1.00 21.10 C ATOM 262 C ASP A 17 17.153 -27.192 -10.928 1.00 73.03 C ATOM 263 O ASP A 17 17.045 -26.804 -9.765 1.00 24.44 O ATOM 264 CB ASP A 17 17.508 -25.382 -12.619 1.00 24.03 C ATOM 265 CG ASP A 17 18.232 -25.873 -13.857 1.00 5.11 C ATOM 266 OD1 ASP A 17 18.274 -27.103 -14.072 1.00 52.52 O ATOM 267 OD2 ASP A 17 18.757 -25.027 -14.611 1.00 61.42 O ATOM 0 H ASP A 17 15.363 -24.740 -11.557 1.00 30.02 H new ATOM 0 HA ASP A 17 16.261 -27.113 -12.869 1.00 21.10 H new ATOM 0 HB2 ASP A 17 16.977 -24.460 -12.854 1.00 24.03 H new ATOM 0 HB3 ASP A 17 18.238 -25.141 -11.846 1.00 24.03 H new ATOM 272 N LYS A 18 17.814 -28.294 -11.264 1.00 62.24 N ATOM 273 CA LYS A 18 18.468 -29.130 -10.264 1.00 52.11 C ATOM 274 C LYS A 18 19.380 -28.296 -9.370 1.00 14.21 C ATOM 275 O LYS A 18 19.834 -27.221 -9.761 1.00 42.34 O ATOM 276 CB LYS A 18 19.277 -30.237 -10.944 1.00 54.11 C ATOM 277 CG LYS A 18 19.176 -31.581 -10.244 1.00 70.23 C ATOM 278 CD LYS A 18 18.409 -32.590 -11.083 1.00 22.35 C ATOM 279 CE LYS A 18 19.206 -33.019 -12.305 1.00 53.14 C ATOM 280 NZ LYS A 18 20.523 -33.604 -11.932 1.00 62.10 N ATOM 0 H LYS A 18 17.911 -28.630 -12.222 1.00 62.24 H new ATOM 0 HA LYS A 18 17.695 -29.583 -9.644 1.00 52.11 H new ATOM 0 HB2 LYS A 18 18.935 -30.346 -11.973 1.00 54.11 H new ATOM 0 HB3 LYS A 18 20.324 -29.937 -10.987 1.00 54.11 H new ATOM 0 HG2 LYS A 18 20.177 -31.962 -10.040 1.00 70.23 H new ATOM 0 HG3 LYS A 18 18.680 -31.455 -9.282 1.00 70.23 H new ATOM 0 HD2 LYS A 18 18.172 -33.464 -10.476 1.00 22.35 H new ATOM 0 HD3 LYS A 18 17.461 -32.156 -11.400 1.00 22.35 H new ATOM 0 HE2 LYS A 18 18.632 -33.750 -12.874 1.00 53.14 H new ATOM 0 HE3 LYS A 18 19.362 -32.159 -12.957 1.00 53.14 H new ATOM 0 HZ1 LYS A 18 20.694 -34.462 -12.495 1.00 62.10 H new ATOM 0 HZ2 LYS A 18 21.276 -32.911 -12.119 1.00 62.10 H new ATOM 0 HZ3 LYS A 18 20.521 -33.848 -10.921 1.00 62.10 H new ATOM 327 N GLY A 22 21.840 -22.400 -12.045 1.00 60.15 N ATOM 328 CA GLY A 22 21.880 -22.627 -13.478 1.00 53.53 C ATOM 329 C GLY A 22 20.840 -21.813 -14.223 1.00 0.21 C ATOM 330 O GLY A 22 20.060 -21.082 -13.612 1.00 54.14 O ATOM 0 HA2 GLY A 22 22.872 -22.376 -13.855 1.00 53.53 H new ATOM 0 HA3 GLY A 22 21.721 -23.686 -13.680 1.00 53.53 H new ATOM 334 N TYR A 23 20.830 -21.937 -15.545 1.00 75.53 N ATOM 335 CA TYR A 23 19.880 -21.204 -16.375 1.00 25.34 C ATOM 336 C TYR A 23 18.640 -22.046 -16.657 1.00 13.02 C ATOM 337 O TYR A 23 18.707 -23.275 -16.705 1.00 4.52 O ATOM 338 CB TYR A 23 20.538 -20.787 -17.691 1.00 73.24 C ATOM 339 CG TYR A 23 21.922 -20.205 -17.519 1.00 43.42 C ATOM 340 CD1 TYR A 23 22.154 -19.165 -16.627 1.00 14.12 C ATOM 341 CD2 TYR A 23 22.999 -20.693 -18.249 1.00 52.12 C ATOM 342 CE1 TYR A 23 23.417 -18.629 -16.467 1.00 12.14 C ATOM 343 CE2 TYR A 23 24.266 -20.164 -18.094 1.00 75.13 C ATOM 344 CZ TYR A 23 24.469 -19.132 -17.202 1.00 65.21 C ATOM 345 OH TYR A 23 25.730 -18.602 -17.046 1.00 54.31 O ATOM 0 H TYR A 23 21.469 -22.538 -16.066 1.00 75.53 H new ATOM 0 HA TYR A 23 19.573 -20.311 -15.831 1.00 25.34 H new ATOM 0 HB2 TYR A 23 20.597 -21.654 -18.349 1.00 73.24 H new ATOM 0 HB3 TYR A 23 19.904 -20.053 -18.188 1.00 73.24 H new ATOM 0 HD1 TYR A 23 21.332 -18.769 -16.049 1.00 14.12 H new ATOM 0 HD2 TYR A 23 22.843 -21.500 -18.950 1.00 52.12 H new ATOM 0 HE1 TYR A 23 23.579 -17.820 -15.770 1.00 12.14 H new ATOM 0 HE2 TYR A 23 25.092 -20.556 -18.668 1.00 75.13 H new ATOM 0 HH TYR A 23 26.357 -19.070 -17.636 1.00 54.31 H new ATOM 355 N ILE A 24 17.508 -21.375 -16.843 1.00 71.42 N ATOM 356 CA ILE A 24 16.252 -22.060 -17.122 1.00 71.34 C ATOM 357 C ILE A 24 15.841 -21.883 -18.580 1.00 43.13 C ATOM 358 O ILE A 24 16.453 -21.112 -19.319 1.00 5.52 O ATOM 359 CB ILE A 24 15.118 -21.548 -16.215 1.00 54.03 C ATOM 360 CG1 ILE A 24 15.039 -20.021 -16.273 1.00 3.02 C ATOM 361 CG2 ILE A 24 15.330 -22.019 -14.784 1.00 73.45 C ATOM 362 CD1 ILE A 24 13.661 -19.499 -16.613 1.00 70.02 C ATOM 0 H ILE A 24 17.435 -20.358 -16.806 1.00 71.42 H new ATOM 0 HA ILE A 24 16.418 -23.118 -16.920 1.00 71.34 H new ATOM 0 HB ILE A 24 14.173 -21.956 -16.574 1.00 54.03 H new ATOM 0 HG12 ILE A 24 15.346 -19.613 -15.310 1.00 3.02 H new ATOM 0 HG13 ILE A 24 15.750 -19.657 -17.015 1.00 3.02 H new ATOM 0 HG21 ILE A 24 14.520 -21.649 -14.155 1.00 73.45 H new ATOM 0 HG22 ILE A 24 15.341 -23.109 -14.757 1.00 73.45 H new ATOM 0 HG23 ILE A 24 16.281 -21.637 -14.412 1.00 73.45 H new ATOM 0 HD11 ILE A 24 13.680 -18.409 -16.636 1.00 70.02 H new ATOM 0 HD12 ILE A 24 13.359 -19.878 -17.590 1.00 70.02 H new ATOM 0 HD13 ILE A 24 12.949 -19.833 -15.858 1.00 70.02 H new ATOM 374 N SER A 25 14.800 -22.601 -18.988 1.00 33.14 N ATOM 375 CA SER A 25 14.308 -22.525 -20.358 1.00 54.21 C ATOM 376 C SER A 25 13.203 -21.480 -20.481 1.00 74.12 C ATOM 377 O SER A 25 12.655 -21.019 -19.480 1.00 43.32 O ATOM 378 CB SER A 25 13.787 -23.890 -20.812 1.00 43.03 C ATOM 379 OG SER A 25 14.848 -24.718 -21.255 1.00 62.52 O ATOM 0 H SER A 25 14.281 -23.242 -18.389 1.00 33.14 H new ATOM 0 HA SER A 25 15.138 -22.229 -21.000 1.00 54.21 H new ATOM 0 HB2 SER A 25 13.262 -24.375 -19.989 1.00 43.03 H new ATOM 0 HB3 SER A 25 13.064 -23.758 -21.617 1.00 43.03 H new ATOM 0 HG SER A 25 14.490 -25.585 -21.538 1.00 62.52 H new ATOM 385 N ALA A 26 12.880 -21.112 -21.717 1.00 1.12 N ATOM 386 CA ALA A 26 11.840 -20.124 -21.972 1.00 53.44 C ATOM 387 C ALA A 26 10.578 -20.435 -21.174 1.00 64.30 C ATOM 388 O ALA A 26 9.924 -19.533 -20.652 1.00 22.21 O ATOM 389 CB ALA A 26 11.524 -20.062 -23.459 1.00 73.45 C ATOM 0 H ALA A 26 13.324 -21.484 -22.557 1.00 1.12 H new ATOM 0 HA ALA A 26 12.211 -19.151 -21.649 1.00 53.44 H new ATOM 0 HB1 ALA A 26 10.745 -19.320 -23.635 1.00 73.45 H new ATOM 0 HB2 ALA A 26 12.422 -19.784 -24.010 1.00 73.45 H new ATOM 0 HB3 ALA A 26 11.178 -21.038 -23.798 1.00 73.45 H new ATOM 395 N ALA A 27 10.242 -21.718 -21.084 1.00 45.01 N ATOM 396 CA ALA A 27 9.060 -22.148 -20.348 1.00 61.23 C ATOM 397 C ALA A 27 9.021 -21.523 -18.958 1.00 50.20 C ATOM 398 O ALA A 27 8.094 -20.784 -18.625 1.00 60.21 O ATOM 399 CB ALA A 27 9.024 -23.666 -20.248 1.00 5.05 C ATOM 0 H ALA A 27 10.772 -22.477 -21.512 1.00 45.01 H new ATOM 0 HA ALA A 27 8.179 -21.810 -20.894 1.00 61.23 H new ATOM 0 HB1 ALA A 27 8.136 -23.973 -19.696 1.00 5.05 H new ATOM 0 HB2 ALA A 27 8.996 -24.096 -21.249 1.00 5.05 H new ATOM 0 HB3 ALA A 27 9.915 -24.018 -19.727 1.00 5.05 H new ATOM 405 N ASP A 28 10.032 -21.824 -18.151 1.00 11.25 N ATOM 406 CA ASP A 28 10.113 -21.291 -16.796 1.00 1.54 C ATOM 407 C ASP A 28 10.074 -19.766 -16.809 1.00 1.44 C ATOM 408 O ASP A 28 9.548 -19.139 -15.888 1.00 33.43 O ATOM 409 CB ASP A 28 11.392 -21.775 -16.110 1.00 14.41 C ATOM 410 CG ASP A 28 11.280 -23.205 -15.619 1.00 15.41 C ATOM 411 OD1 ASP A 28 10.142 -23.712 -15.523 1.00 42.02 O ATOM 412 OD2 ASP A 28 12.329 -23.817 -15.331 1.00 41.43 O ATOM 0 H ASP A 28 10.807 -22.434 -18.411 1.00 11.25 H new ATOM 0 HA ASP A 28 9.251 -21.654 -16.237 1.00 1.54 H new ATOM 0 HB2 ASP A 28 12.226 -21.698 -16.807 1.00 14.41 H new ATOM 0 HB3 ASP A 28 11.619 -21.121 -15.268 1.00 14.41 H new ATOM 417 N LEU A 29 10.635 -19.174 -17.857 1.00 42.41 N ATOM 418 CA LEU A 29 10.666 -17.721 -17.990 1.00 72.20 C ATOM 419 C LEU A 29 9.257 -17.159 -18.153 1.00 21.41 C ATOM 420 O LEU A 29 8.807 -16.342 -17.350 1.00 24.04 O ATOM 421 CB LEU A 29 11.530 -17.317 -19.186 1.00 12.22 C ATOM 422 CG LEU A 29 12.168 -15.929 -19.114 1.00 23.30 C ATOM 423 CD1 LEU A 29 11.098 -14.850 -19.085 1.00 55.20 C ATOM 424 CD2 LEU A 29 13.071 -15.820 -17.894 1.00 23.31 C ATOM 0 H LEU A 29 11.075 -19.677 -18.628 1.00 42.41 H new ATOM 0 HA LEU A 29 11.100 -17.307 -17.080 1.00 72.20 H new ATOM 0 HB2 LEU A 29 12.324 -18.055 -19.301 1.00 12.22 H new ATOM 0 HB3 LEU A 29 10.916 -17.367 -20.085 1.00 12.22 H new ATOM 0 HG LEU A 29 12.777 -15.784 -20.006 1.00 23.30 H new ATOM 0 HD11 LEU A 29 11.571 -13.869 -19.034 1.00 55.20 H new ATOM 0 HD12 LEU A 29 10.492 -14.914 -19.989 1.00 55.20 H new ATOM 0 HD13 LEU A 29 10.462 -14.992 -18.211 1.00 55.20 H new ATOM 0 HD21 LEU A 29 13.517 -14.826 -17.859 1.00 23.31 H new ATOM 0 HD22 LEU A 29 12.484 -15.987 -16.991 1.00 23.31 H new ATOM 0 HD23 LEU A 29 13.860 -16.569 -17.957 1.00 23.31 H new ATOM 436 N ARG A 30 8.565 -17.605 -19.196 1.00 71.02 N ATOM 437 CA ARG A 30 7.207 -17.148 -19.464 1.00 13.43 C ATOM 438 C ARG A 30 6.273 -17.517 -18.315 1.00 55.11 C ATOM 439 O ARG A 30 5.356 -16.765 -17.980 1.00 62.50 O ATOM 440 CB ARG A 30 6.690 -17.753 -20.770 1.00 50.32 C ATOM 441 CG ARG A 30 5.573 -16.948 -21.414 1.00 75.30 C ATOM 442 CD ARG A 30 4.214 -17.587 -21.169 1.00 42.24 C ATOM 443 NE ARG A 30 3.936 -18.662 -22.118 1.00 22.24 N ATOM 444 CZ ARG A 30 2.832 -19.400 -22.089 1.00 53.42 C ATOM 445 NH1 ARG A 30 1.906 -19.178 -21.166 1.00 25.53 N ATOM 446 NH2 ARG A 30 2.651 -20.360 -22.986 1.00 73.35 N ATOM 0 H ARG A 30 8.923 -18.283 -19.869 1.00 71.02 H new ATOM 0 HA ARG A 30 7.228 -16.062 -19.559 1.00 13.43 H new ATOM 0 HB2 ARG A 30 7.518 -17.838 -21.474 1.00 50.32 H new ATOM 0 HB3 ARG A 30 6.332 -18.764 -20.576 1.00 50.32 H new ATOM 0 HG2 ARG A 30 5.577 -15.934 -21.015 1.00 75.30 H new ATOM 0 HG3 ARG A 30 5.751 -16.869 -22.486 1.00 75.30 H new ATOM 0 HD2 ARG A 30 4.176 -17.981 -20.153 1.00 42.24 H new ATOM 0 HD3 ARG A 30 3.437 -16.827 -21.245 1.00 42.24 H new ATOM 0 HE ARG A 30 4.627 -18.857 -22.842 1.00 22.24 H new ATOM 0 HH11 ARG A 30 2.041 -18.439 -20.476 1.00 25.53 H new ATOM 0 HH12 ARG A 30 1.059 -19.746 -21.146 1.00 25.53 H new ATOM 0 HH21 ARG A 30 3.360 -20.532 -23.699 1.00 73.35 H new ATOM 0 HH22 ARG A 30 1.803 -20.926 -22.963 1.00 73.35 H new ATOM 460 N HIS A 31 6.511 -18.679 -17.716 1.00 33.23 N ATOM 461 CA HIS A 31 5.691 -19.148 -16.604 1.00 72.54 C ATOM 462 C HIS A 31 5.806 -18.207 -15.409 1.00 71.41 C ATOM 463 O HIS A 31 4.839 -17.545 -15.032 1.00 41.00 O ATOM 464 CB HIS A 31 6.107 -20.562 -16.197 1.00 60.23 C ATOM 465 CG HIS A 31 5.033 -21.320 -15.480 1.00 14.33 C ATOM 466 ND1 HIS A 31 3.879 -21.756 -16.096 1.00 52.54 N ATOM 467 CD2 HIS A 31 4.942 -21.720 -14.190 1.00 22.02 C ATOM 468 CE1 HIS A 31 3.124 -22.390 -15.217 1.00 5.44 C ATOM 469 NE2 HIS A 31 3.747 -22.383 -14.052 1.00 3.51 N ATOM 0 H HIS A 31 7.264 -19.313 -17.981 1.00 33.23 H new ATOM 0 HA HIS A 31 4.652 -19.164 -16.932 1.00 72.54 H new ATOM 0 HB2 HIS A 31 6.398 -21.117 -17.089 1.00 60.23 H new ATOM 0 HB3 HIS A 31 6.987 -20.503 -15.557 1.00 60.23 H new ATOM 0 HD2 HIS A 31 5.673 -21.550 -13.414 1.00 22.02 H new ATOM 0 HE1 HIS A 31 2.162 -22.838 -15.417 1.00 5.44 H new ATOM 0 HE2 HIS A 31 3.397 -22.802 -13.190 1.00 3.51 H new ATOM 477 N VAL A 32 6.994 -18.154 -14.816 1.00 64.12 N ATOM 478 CA VAL A 32 7.236 -17.294 -13.664 1.00 21.22 C ATOM 479 C VAL A 32 6.834 -15.854 -13.959 1.00 51.41 C ATOM 480 O VAL A 32 6.354 -15.140 -13.079 1.00 54.11 O ATOM 481 CB VAL A 32 8.717 -17.326 -13.241 1.00 13.24 C ATOM 482 CG1 VAL A 32 8.932 -16.492 -11.987 1.00 33.25 C ATOM 483 CG2 VAL A 32 9.178 -18.759 -13.024 1.00 32.15 C ATOM 0 H VAL A 32 7.804 -18.697 -15.114 1.00 64.12 H new ATOM 0 HA VAL A 32 6.624 -17.679 -12.848 1.00 21.22 H new ATOM 0 HB VAL A 32 9.316 -16.894 -14.043 1.00 13.24 H new ATOM 0 HG11 VAL A 32 9.984 -16.526 -11.703 1.00 33.25 H new ATOM 0 HG12 VAL A 32 8.642 -15.460 -12.183 1.00 33.25 H new ATOM 0 HG13 VAL A 32 8.324 -16.892 -11.175 1.00 33.25 H new ATOM 0 HG21 VAL A 32 10.226 -18.763 -12.726 1.00 32.15 H new ATOM 0 HG22 VAL A 32 8.576 -19.220 -12.241 1.00 32.15 H new ATOM 0 HG23 VAL A 32 9.062 -19.323 -13.950 1.00 32.15 H new ATOM 493 N MET A 33 7.033 -15.433 -15.204 1.00 0.21 N ATOM 494 CA MET A 33 6.689 -14.077 -15.616 1.00 1.10 C ATOM 495 C MET A 33 5.180 -13.861 -15.571 1.00 33.31 C ATOM 496 O MET A 33 4.689 -12.974 -14.872 1.00 41.43 O ATOM 497 CB MET A 33 7.214 -13.801 -17.026 1.00 74.25 C ATOM 498 CG MET A 33 8.651 -13.308 -17.055 1.00 1.03 C ATOM 499 SD MET A 33 8.780 -11.528 -16.796 1.00 61.22 S ATOM 500 CE MET A 33 8.923 -10.950 -18.485 1.00 71.14 C ATOM 0 H MET A 33 7.430 -16.011 -15.945 1.00 0.21 H new ATOM 0 HA MET A 33 7.158 -13.382 -14.919 1.00 1.10 H new ATOM 0 HB2 MET A 33 7.140 -14.714 -17.617 1.00 74.25 H new ATOM 0 HB3 MET A 33 6.574 -13.059 -17.504 1.00 74.25 H new ATOM 0 HG2 MET A 33 9.224 -13.826 -16.286 1.00 1.03 H new ATOM 0 HG3 MET A 33 9.100 -13.565 -18.014 1.00 1.03 H new ATOM 0 HE1 MET A 33 9.135 -9.881 -18.487 1.00 71.14 H new ATOM 0 HE2 MET A 33 9.733 -11.482 -18.984 1.00 71.14 H new ATOM 0 HE3 MET A 33 7.988 -11.135 -19.013 1.00 71.14 H new ATOM 510 N THR A 34 4.447 -14.679 -16.321 1.00 12.32 N ATOM 511 CA THR A 34 2.994 -14.576 -16.367 1.00 72.24 C ATOM 512 C THR A 34 2.380 -14.830 -14.995 1.00 64.22 C ATOM 513 O THR A 34 1.255 -14.415 -14.721 1.00 44.34 O ATOM 514 CB THR A 34 2.393 -15.571 -17.378 1.00 74.20 C ATOM 515 OG1 THR A 34 3.022 -15.414 -18.654 1.00 44.23 O ATOM 516 CG2 THR A 34 0.892 -15.361 -17.518 1.00 5.43 C ATOM 0 H THR A 34 4.836 -15.420 -16.904 1.00 12.32 H new ATOM 0 HA THR A 34 2.759 -13.560 -16.684 1.00 72.24 H new ATOM 0 HB THR A 34 2.570 -16.581 -17.008 1.00 74.20 H new ATOM 0 HG1 THR A 34 3.912 -15.824 -18.633 1.00 44.23 H new ATOM 0 HG21 THR A 34 0.490 -16.075 -18.237 1.00 5.43 H new ATOM 0 HG22 THR A 34 0.412 -15.511 -16.551 1.00 5.43 H new ATOM 0 HG23 THR A 34 0.697 -14.347 -17.866 1.00 5.43 H new ATOM 524 N ASN A 35 3.128 -15.515 -14.135 1.00 50.25 N ATOM 525 CA ASN A 35 2.657 -15.824 -12.790 1.00 52.04 C ATOM 526 C ASN A 35 2.853 -14.632 -11.858 1.00 31.40 C ATOM 527 O ASN A 35 1.888 -14.077 -11.331 1.00 51.44 O ATOM 528 CB ASN A 35 3.394 -17.045 -12.237 1.00 62.24 C ATOM 529 CG ASN A 35 2.683 -17.660 -11.047 1.00 43.21 C ATOM 530 OD1 ASN A 35 3.114 -17.503 -9.904 1.00 73.43 O ATOM 531 ND2 ASN A 35 1.589 -18.364 -11.311 1.00 14.22 N ATOM 0 H ASN A 35 4.062 -15.866 -14.346 1.00 50.25 H new ATOM 0 HA ASN A 35 1.591 -16.047 -12.847 1.00 52.04 H new ATOM 0 HB2 ASN A 35 3.493 -17.793 -13.024 1.00 62.24 H new ATOM 0 HB3 ASN A 35 4.403 -16.755 -11.944 1.00 62.24 H new ATOM 0 HD21 ASN A 35 1.068 -18.802 -10.551 1.00 14.22 H new ATOM 0 HD22 ASN A 35 1.269 -18.467 -12.274 1.00 14.22 H new ATOM 538 N LEU A 36 4.108 -14.244 -11.659 1.00 33.53 N ATOM 539 CA LEU A 36 4.431 -13.118 -10.790 1.00 45.14 C ATOM 540 C LEU A 36 3.624 -11.883 -11.176 1.00 53.04 C ATOM 541 O LEU A 36 3.161 -11.137 -10.315 1.00 33.04 O ATOM 542 CB LEU A 36 5.927 -12.806 -10.863 1.00 23.11 C ATOM 543 CG LEU A 36 6.778 -13.327 -9.704 1.00 45.33 C ATOM 544 CD1 LEU A 36 6.618 -14.832 -9.558 1.00 53.11 C ATOM 545 CD2 LEU A 36 8.241 -12.962 -9.911 1.00 63.44 C ATOM 0 H LEU A 36 4.918 -14.692 -12.087 1.00 33.53 H new ATOM 0 HA LEU A 36 4.172 -13.394 -9.768 1.00 45.14 H new ATOM 0 HB2 LEU A 36 6.320 -13.221 -11.791 1.00 23.11 H new ATOM 0 HB3 LEU A 36 6.050 -11.724 -10.920 1.00 23.11 H new ATOM 0 HG LEU A 36 6.433 -12.855 -8.784 1.00 45.33 H new ATOM 0 HD11 LEU A 36 7.231 -15.184 -8.728 1.00 53.11 H new ATOM 0 HD12 LEU A 36 5.572 -15.069 -9.363 1.00 53.11 H new ATOM 0 HD13 LEU A 36 6.936 -15.323 -10.478 1.00 53.11 H new ATOM 0 HD21 LEU A 36 8.832 -13.340 -9.077 1.00 63.44 H new ATOM 0 HD22 LEU A 36 8.599 -13.406 -10.840 1.00 63.44 H new ATOM 0 HD23 LEU A 36 8.342 -11.878 -9.964 1.00 63.44 H new ATOM 557 N GLY A 37 3.457 -11.675 -12.479 1.00 54.41 N ATOM 558 CA GLY A 37 2.703 -10.530 -12.957 1.00 34.35 C ATOM 559 C GLY A 37 3.183 -10.042 -14.309 1.00 24.43 C ATOM 560 O GLY A 37 4.315 -9.579 -14.441 1.00 44.22 O ATOM 0 H GLY A 37 3.830 -12.279 -13.212 1.00 54.41 H new ATOM 0 HA2 GLY A 37 1.648 -10.796 -13.024 1.00 34.35 H new ATOM 0 HA3 GLY A 37 2.782 -9.719 -12.233 1.00 34.35 H new ATOM 564 N GLU A 38 2.321 -10.149 -15.315 1.00 45.43 N ATOM 565 CA GLU A 38 2.667 -9.716 -16.664 1.00 73.45 C ATOM 566 C GLU A 38 1.461 -9.821 -17.594 1.00 43.14 C ATOM 567 O GLU A 38 1.264 -10.836 -18.262 1.00 74.21 O ATOM 568 CB GLU A 38 3.822 -10.556 -17.213 1.00 61.40 C ATOM 569 CG GLU A 38 4.555 -9.900 -18.371 1.00 62.51 C ATOM 570 CD GLU A 38 5.607 -8.910 -17.910 1.00 21.51 C ATOM 571 OE1 GLU A 38 5.544 -8.478 -16.740 1.00 74.22 O ATOM 572 OE2 GLU A 38 6.494 -8.568 -18.720 1.00 24.44 O ATOM 0 H GLU A 38 1.380 -10.531 -15.222 1.00 45.43 H new ATOM 0 HA GLU A 38 2.978 -8.672 -16.615 1.00 73.45 H new ATOM 0 HB2 GLU A 38 4.532 -10.752 -16.409 1.00 61.40 H new ATOM 0 HB3 GLU A 38 3.435 -11.521 -17.539 1.00 61.40 H new ATOM 0 HG2 GLU A 38 5.028 -10.670 -18.980 1.00 62.51 H new ATOM 0 HG3 GLU A 38 3.834 -9.388 -19.009 1.00 62.51 H new ATOM 579 N LYS A 39 0.657 -8.764 -17.632 1.00 44.41 N ATOM 580 CA LYS A 39 -0.529 -8.734 -18.480 1.00 2.45 C ATOM 581 C LYS A 39 -0.159 -8.405 -19.922 1.00 44.42 C ATOM 582 O LYS A 39 -0.331 -7.272 -20.375 1.00 71.23 O ATOM 583 CB LYS A 39 -1.532 -7.705 -17.952 1.00 22.31 C ATOM 584 CG LYS A 39 -2.208 -8.124 -16.658 1.00 10.42 C ATOM 585 CD LYS A 39 -3.467 -8.933 -16.922 1.00 43.35 C ATOM 586 CE LYS A 39 -3.806 -9.837 -15.747 1.00 45.22 C ATOM 587 NZ LYS A 39 -4.054 -11.240 -16.180 1.00 44.23 N ATOM 0 H LYS A 39 0.805 -7.916 -17.085 1.00 44.41 H new ATOM 0 HA LYS A 39 -0.986 -9.723 -18.458 1.00 2.45 H new ATOM 0 HB2 LYS A 39 -1.018 -6.757 -17.793 1.00 22.31 H new ATOM 0 HB3 LYS A 39 -2.295 -7.531 -18.711 1.00 22.31 H new ATOM 0 HG2 LYS A 39 -1.514 -8.714 -16.059 1.00 10.42 H new ATOM 0 HG3 LYS A 39 -2.459 -7.238 -16.075 1.00 10.42 H new ATOM 0 HD2 LYS A 39 -4.301 -8.258 -17.115 1.00 43.35 H new ATOM 0 HD3 LYS A 39 -3.331 -9.537 -17.819 1.00 43.35 H new ATOM 0 HE2 LYS A 39 -2.988 -9.818 -15.027 1.00 45.22 H new ATOM 0 HE3 LYS A 39 -4.689 -9.453 -15.236 1.00 45.22 H new ATOM 0 HZ1 LYS A 39 -4.282 -11.824 -15.350 1.00 44.23 H new ATOM 0 HZ2 LYS A 39 -4.851 -11.261 -16.848 1.00 44.23 H new ATOM 0 HZ3 LYS A 39 -3.203 -11.616 -16.645 1.00 44.23 H new ATOM 601 N LEU A 40 0.349 -9.401 -20.640 1.00 2.43 N ATOM 602 CA LEU A 40 0.742 -9.217 -22.033 1.00 23.25 C ATOM 603 C LEU A 40 0.419 -10.459 -22.858 1.00 11.25 C ATOM 604 O LEU A 40 -0.035 -11.472 -22.324 1.00 54.42 O ATOM 605 CB LEU A 40 2.237 -8.905 -22.124 1.00 71.03 C ATOM 606 CG LEU A 40 2.689 -7.593 -21.483 1.00 2.15 C ATOM 607 CD1 LEU A 40 4.207 -7.529 -21.411 1.00 50.23 C ATOM 608 CD2 LEU A 40 2.139 -6.403 -22.256 1.00 20.40 C ATOM 0 H LEU A 40 0.498 -10.344 -20.281 1.00 2.43 H new ATOM 0 HA LEU A 40 0.176 -8.378 -22.437 1.00 23.25 H new ATOM 0 HB2 LEU A 40 2.787 -9.722 -21.658 1.00 71.03 H new ATOM 0 HB3 LEU A 40 2.521 -8.889 -23.176 1.00 71.03 H new ATOM 0 HG LEU A 40 2.295 -7.553 -20.467 1.00 2.15 H new ATOM 0 HD11 LEU A 40 4.510 -6.588 -20.952 1.00 50.23 H new ATOM 0 HD12 LEU A 40 4.578 -8.361 -20.813 1.00 50.23 H new ATOM 0 HD13 LEU A 40 4.622 -7.592 -22.417 1.00 50.23 H new ATOM 0 HD21 LEU A 40 2.471 -5.478 -21.785 1.00 20.40 H new ATOM 0 HD22 LEU A 40 2.502 -6.437 -23.283 1.00 20.40 H new ATOM 0 HD23 LEU A 40 1.050 -6.440 -22.254 1.00 20.40 H new ATOM 620 N THR A 41 0.658 -10.375 -24.163 1.00 0.23 N ATOM 621 CA THR A 41 0.394 -11.491 -25.062 1.00 15.04 C ATOM 622 C THR A 41 1.626 -12.375 -25.218 1.00 15.02 C ATOM 623 O THR A 41 2.755 -11.919 -25.038 1.00 20.43 O ATOM 624 CB THR A 41 -0.051 -10.999 -26.452 1.00 32.40 C ATOM 625 OG1 THR A 41 1.067 -10.450 -27.158 1.00 13.30 O ATOM 626 CG2 THR A 41 -1.146 -9.950 -26.330 1.00 72.43 C ATOM 0 H THR A 41 1.034 -9.545 -24.621 1.00 0.23 H new ATOM 0 HA THR A 41 -0.412 -12.073 -24.615 1.00 15.04 H new ATOM 0 HB THR A 41 -0.447 -11.851 -27.005 1.00 32.40 H new ATOM 0 HG1 THR A 41 0.776 -10.141 -28.041 1.00 13.30 H new ATOM 0 HG21 THR A 41 -1.444 -9.618 -27.324 1.00 72.43 H new ATOM 0 HG22 THR A 41 -2.007 -10.380 -25.818 1.00 72.43 H new ATOM 0 HG23 THR A 41 -0.773 -9.099 -25.760 1.00 72.43 H new ATOM 634 N ASP A 42 1.401 -13.640 -25.554 1.00 61.33 N ATOM 635 CA ASP A 42 2.494 -14.588 -25.737 1.00 20.43 C ATOM 636 C ASP A 42 3.500 -14.068 -26.759 1.00 31.02 C ATOM 637 O ASP A 42 4.688 -14.380 -26.688 1.00 1.21 O ATOM 638 CB ASP A 42 1.950 -15.946 -26.183 1.00 63.44 C ATOM 639 CG ASP A 42 1.384 -16.751 -25.030 1.00 60.11 C ATOM 640 OD1 ASP A 42 2.126 -16.993 -24.055 1.00 54.41 O ATOM 641 OD2 ASP A 42 0.199 -17.140 -25.103 1.00 23.11 O ATOM 0 H ASP A 42 0.472 -14.033 -25.705 1.00 61.33 H new ATOM 0 HA ASP A 42 3.004 -14.706 -24.781 1.00 20.43 H new ATOM 0 HB2 ASP A 42 1.173 -15.794 -26.932 1.00 63.44 H new ATOM 0 HB3 ASP A 42 2.748 -16.514 -26.662 1.00 63.44 H new ATOM 646 N GLU A 43 3.014 -13.275 -27.709 1.00 3.45 N ATOM 647 CA GLU A 43 3.871 -12.713 -28.746 1.00 64.20 C ATOM 648 C GLU A 43 4.745 -11.595 -28.184 1.00 53.12 C ATOM 649 O GLU A 43 5.930 -11.502 -28.499 1.00 65.44 O ATOM 650 CB GLU A 43 3.026 -12.181 -29.905 1.00 34.31 C ATOM 651 CG GLU A 43 3.703 -12.304 -31.259 1.00 42.23 C ATOM 652 CD GLU A 43 3.072 -11.412 -32.310 1.00 55.05 C ATOM 653 OE1 GLU A 43 1.842 -11.202 -32.250 1.00 61.13 O ATOM 654 OE2 GLU A 43 3.808 -10.924 -33.193 1.00 54.35 O ATOM 0 H GLU A 43 2.032 -13.008 -27.782 1.00 3.45 H new ATOM 0 HA GLU A 43 4.520 -13.508 -29.114 1.00 64.20 H new ATOM 0 HB2 GLU A 43 2.080 -12.721 -29.931 1.00 34.31 H new ATOM 0 HB3 GLU A 43 2.790 -11.133 -29.720 1.00 34.31 H new ATOM 0 HG2 GLU A 43 4.758 -12.050 -31.158 1.00 42.23 H new ATOM 0 HG3 GLU A 43 3.656 -13.341 -31.592 1.00 42.23 H new ATOM 661 N GLU A 44 4.148 -10.748 -27.351 1.00 21.22 N ATOM 662 CA GLU A 44 4.871 -9.635 -26.746 1.00 62.54 C ATOM 663 C GLU A 44 5.922 -10.140 -25.761 1.00 74.22 C ATOM 664 O GLU A 44 6.994 -9.551 -25.624 1.00 60.50 O ATOM 665 CB GLU A 44 3.899 -8.693 -26.034 1.00 33.33 C ATOM 666 CG GLU A 44 4.576 -7.503 -25.375 1.00 64.42 C ATOM 667 CD GLU A 44 4.309 -6.202 -26.106 1.00 1.12 C ATOM 668 OE1 GLU A 44 3.131 -5.923 -26.410 1.00 13.42 O ATOM 669 OE2 GLU A 44 5.279 -5.462 -26.373 1.00 64.43 O ATOM 0 H GLU A 44 3.167 -10.811 -27.080 1.00 21.22 H new ATOM 0 HA GLU A 44 5.377 -9.089 -27.542 1.00 62.54 H new ATOM 0 HB2 GLU A 44 3.165 -8.330 -26.754 1.00 33.33 H new ATOM 0 HB3 GLU A 44 3.352 -9.254 -25.277 1.00 33.33 H new ATOM 0 HG2 GLU A 44 4.227 -7.415 -24.346 1.00 64.42 H new ATOM 0 HG3 GLU A 44 5.651 -7.678 -25.334 1.00 64.42 H new ATOM 676 N VAL A 45 5.605 -11.235 -25.077 1.00 12.34 N ATOM 677 CA VAL A 45 6.520 -11.820 -24.104 1.00 61.03 C ATOM 678 C VAL A 45 7.706 -12.483 -24.796 1.00 31.22 C ATOM 679 O VAL A 45 8.820 -12.487 -24.272 1.00 62.04 O ATOM 680 CB VAL A 45 5.809 -12.860 -23.219 1.00 35.30 C ATOM 681 CG1 VAL A 45 6.786 -13.479 -22.232 1.00 30.54 C ATOM 682 CG2 VAL A 45 4.633 -12.225 -22.491 1.00 62.43 C ATOM 0 H VAL A 45 4.722 -11.735 -25.179 1.00 12.34 H new ATOM 0 HA VAL A 45 6.878 -11.004 -23.476 1.00 61.03 H new ATOM 0 HB VAL A 45 5.425 -13.654 -23.859 1.00 35.30 H new ATOM 0 HG11 VAL A 45 6.265 -14.211 -21.615 1.00 30.54 H new ATOM 0 HG12 VAL A 45 7.591 -13.971 -22.777 1.00 30.54 H new ATOM 0 HG13 VAL A 45 7.203 -12.699 -21.595 1.00 30.54 H new ATOM 0 HG21 VAL A 45 4.142 -12.974 -21.870 1.00 62.43 H new ATOM 0 HG22 VAL A 45 4.992 -11.411 -21.862 1.00 62.43 H new ATOM 0 HG23 VAL A 45 3.922 -11.835 -23.219 1.00 62.43 H new ATOM 692 N ASP A 46 7.459 -13.043 -25.975 1.00 34.02 N ATOM 693 CA ASP A 46 8.506 -13.709 -26.740 1.00 45.41 C ATOM 694 C ASP A 46 9.706 -12.787 -26.935 1.00 2.44 C ATOM 695 O ASP A 46 10.827 -13.122 -26.552 1.00 74.10 O ATOM 696 CB ASP A 46 7.968 -14.158 -28.099 1.00 33.50 C ATOM 697 CG ASP A 46 8.819 -15.244 -28.729 1.00 13.42 C ATOM 698 OD1 ASP A 46 8.558 -16.435 -28.458 1.00 50.30 O ATOM 699 OD2 ASP A 46 9.745 -14.902 -29.493 1.00 50.21 O ATOM 0 H ASP A 46 6.542 -13.049 -26.422 1.00 34.02 H new ATOM 0 HA ASP A 46 8.830 -14.585 -26.178 1.00 45.41 H new ATOM 0 HB2 ASP A 46 6.948 -14.523 -27.980 1.00 33.50 H new ATOM 0 HB3 ASP A 46 7.923 -13.300 -28.770 1.00 33.50 H new ATOM 704 N GLU A 47 9.462 -11.625 -27.533 1.00 5.44 N ATOM 705 CA GLU A 47 10.524 -10.656 -27.779 1.00 50.23 C ATOM 706 C GLU A 47 11.115 -10.150 -26.466 1.00 62.34 C ATOM 707 O GLU A 47 12.277 -9.749 -26.411 1.00 23.33 O ATOM 708 CB GLU A 47 9.990 -9.478 -28.598 1.00 21.33 C ATOM 709 CG GLU A 47 10.761 -9.231 -29.884 1.00 20.45 C ATOM 710 CD GLU A 47 10.347 -7.946 -30.574 1.00 64.42 C ATOM 711 OE1 GLU A 47 9.231 -7.907 -31.133 1.00 42.11 O ATOM 712 OE2 GLU A 47 11.139 -6.981 -30.556 1.00 62.13 O ATOM 0 H GLU A 47 8.540 -11.332 -27.856 1.00 5.44 H new ATOM 0 HA GLU A 47 11.312 -11.155 -28.343 1.00 50.23 H new ATOM 0 HB2 GLU A 47 8.943 -9.660 -28.841 1.00 21.33 H new ATOM 0 HB3 GLU A 47 10.023 -8.577 -27.986 1.00 21.33 H new ATOM 0 HG2 GLU A 47 11.828 -9.193 -29.662 1.00 20.45 H new ATOM 0 HG3 GLU A 47 10.606 -10.070 -30.563 1.00 20.45 H new ATOM 719 N MET A 48 10.306 -10.173 -25.413 1.00 12.55 N ATOM 720 CA MET A 48 10.749 -9.717 -24.100 1.00 35.33 C ATOM 721 C MET A 48 11.915 -10.562 -23.596 1.00 51.44 C ATOM 722 O MET A 48 12.881 -10.035 -23.043 1.00 72.02 O ATOM 723 CB MET A 48 9.592 -9.776 -23.099 1.00 45.44 C ATOM 724 CG MET A 48 9.140 -8.408 -22.614 1.00 33.35 C ATOM 725 SD MET A 48 8.734 -8.395 -20.857 1.00 14.12 S ATOM 726 CE MET A 48 10.316 -7.949 -20.147 1.00 3.41 C ATOM 0 H MET A 48 9.341 -10.502 -25.442 1.00 12.55 H new ATOM 0 HA MET A 48 11.086 -8.685 -24.196 1.00 35.33 H new ATOM 0 HB2 MET A 48 8.747 -10.286 -23.562 1.00 45.44 H new ATOM 0 HB3 MET A 48 9.895 -10.375 -22.240 1.00 45.44 H new ATOM 0 HG2 MET A 48 9.928 -7.680 -22.807 1.00 33.35 H new ATOM 0 HG3 MET A 48 8.268 -8.093 -23.187 1.00 33.35 H new ATOM 0 HE1 MET A 48 10.227 -7.900 -19.062 1.00 3.41 H new ATOM 0 HE2 MET A 48 11.060 -8.698 -20.417 1.00 3.41 H new ATOM 0 HE3 MET A 48 10.625 -6.976 -20.530 1.00 3.41 H new ATOM 736 N ILE A 49 11.818 -11.872 -23.791 1.00 62.34 N ATOM 737 CA ILE A 49 12.866 -12.788 -23.358 1.00 31.14 C ATOM 738 C ILE A 49 14.131 -12.609 -24.189 1.00 64.25 C ATOM 739 O ILE A 49 15.233 -12.925 -23.739 1.00 34.23 O ATOM 740 CB ILE A 49 12.406 -14.255 -23.452 1.00 2.11 C ATOM 741 CG1 ILE A 49 11.089 -14.449 -22.698 1.00 1.13 C ATOM 742 CG2 ILE A 49 13.479 -15.183 -22.902 1.00 42.22 C ATOM 743 CD1 ILE A 49 10.463 -15.809 -22.915 1.00 0.31 C ATOM 0 H ILE A 49 11.025 -12.323 -24.246 1.00 62.34 H new ATOM 0 HA ILE A 49 13.082 -12.550 -22.317 1.00 31.14 H new ATOM 0 HB ILE A 49 12.242 -14.502 -24.501 1.00 2.11 H new ATOM 0 HG12 ILE A 49 11.265 -14.305 -21.632 1.00 1.13 H new ATOM 0 HG13 ILE A 49 10.384 -13.679 -23.011 1.00 1.13 H new ATOM 0 HG21 ILE A 49 13.139 -16.216 -22.975 1.00 42.22 H new ATOM 0 HG22 ILE A 49 14.396 -15.061 -23.478 1.00 42.22 H new ATOM 0 HG23 ILE A 49 13.672 -14.938 -21.858 1.00 42.22 H new ATOM 0 HD11 ILE A 49 9.533 -15.876 -22.351 1.00 0.31 H new ATOM 0 HD12 ILE A 49 10.255 -15.949 -23.976 1.00 0.31 H new ATOM 0 HD13 ILE A 49 11.150 -16.584 -22.575 1.00 0.31 H new ATOM 755 N ARG A 50 13.966 -12.099 -25.405 1.00 44.14 N ATOM 756 CA ARG A 50 15.096 -11.877 -26.301 1.00 34.05 C ATOM 757 C ARG A 50 16.110 -10.927 -25.671 1.00 10.22 C ATOM 758 O ARG A 50 17.318 -11.113 -25.810 1.00 62.22 O ATOM 759 CB ARG A 50 14.611 -11.311 -27.636 1.00 41.45 C ATOM 760 CG ARG A 50 15.022 -12.147 -28.837 1.00 52.24 C ATOM 761 CD ARG A 50 13.900 -12.241 -29.860 1.00 64.51 C ATOM 762 NE ARG A 50 14.329 -12.918 -31.081 1.00 50.03 N ATOM 763 CZ ARG A 50 13.698 -12.805 -32.245 1.00 14.45 C ATOM 764 NH1 ARG A 50 12.615 -12.045 -32.344 1.00 25.00 N ATOM 765 NH2 ARG A 50 14.149 -13.452 -33.312 1.00 12.44 N ATOM 0 H ARG A 50 13.061 -11.832 -25.793 1.00 44.14 H new ATOM 0 HA ARG A 50 15.583 -12.836 -26.477 1.00 34.05 H new ATOM 0 HB2 ARG A 50 13.524 -11.232 -27.614 1.00 41.45 H new ATOM 0 HB3 ARG A 50 15.002 -10.301 -27.756 1.00 41.45 H new ATOM 0 HG2 ARG A 50 15.905 -11.708 -29.302 1.00 52.24 H new ATOM 0 HG3 ARG A 50 15.300 -13.148 -28.507 1.00 52.24 H new ATOM 0 HD2 ARG A 50 13.057 -12.777 -29.425 1.00 64.51 H new ATOM 0 HD3 ARG A 50 13.548 -11.239 -30.105 1.00 64.51 H new ATOM 0 HE ARG A 50 15.158 -13.510 -31.038 1.00 50.03 H new ATOM 0 HH11 ARG A 50 12.265 -11.546 -31.526 1.00 25.00 H new ATOM 0 HH12 ARG A 50 12.132 -11.959 -33.238 1.00 25.00 H new ATOM 0 HH21 ARG A 50 14.981 -14.037 -33.240 1.00 12.44 H new ATOM 0 HH22 ARG A 50 13.663 -13.364 -34.205 1.00 12.44 H new ATOM 779 N GLU A 51 15.609 -9.908 -24.979 1.00 31.33 N ATOM 780 CA GLU A 51 16.472 -8.929 -24.329 1.00 41.23 C ATOM 781 C GLU A 51 17.098 -9.509 -23.064 1.00 52.02 C ATOM 782 O GLU A 51 18.317 -9.495 -22.900 1.00 22.04 O ATOM 783 CB GLU A 51 15.680 -7.666 -23.986 1.00 54.45 C ATOM 784 CG GLU A 51 15.492 -6.726 -25.166 1.00 35.22 C ATOM 785 CD GLU A 51 16.738 -5.920 -25.474 1.00 63.00 C ATOM 786 OE1 GLU A 51 17.702 -5.991 -24.683 1.00 61.14 O ATOM 787 OE2 GLU A 51 16.750 -5.218 -26.507 1.00 13.00 O ATOM 0 H GLU A 51 14.611 -9.739 -24.854 1.00 31.33 H new ATOM 0 HA GLU A 51 17.272 -8.671 -25.023 1.00 41.23 H new ATOM 0 HB2 GLU A 51 14.701 -7.954 -23.602 1.00 54.45 H new ATOM 0 HB3 GLU A 51 16.192 -7.132 -23.185 1.00 54.45 H new ATOM 0 HG2 GLU A 51 15.212 -7.305 -26.046 1.00 35.22 H new ATOM 0 HG3 GLU A 51 14.667 -6.046 -24.956 1.00 35.22 H new ATOM 794 N ALA A 52 16.253 -10.018 -22.173 1.00 41.12 N ATOM 795 CA ALA A 52 16.722 -10.604 -20.924 1.00 22.01 C ATOM 796 C ALA A 52 17.781 -11.671 -21.181 1.00 73.14 C ATOM 797 O ALA A 52 18.648 -11.914 -20.342 1.00 71.10 O ATOM 798 CB ALA A 52 15.555 -11.193 -20.146 1.00 73.01 C ATOM 0 H ALA A 52 15.240 -10.036 -22.293 1.00 41.12 H new ATOM 0 HA ALA A 52 17.178 -9.812 -20.330 1.00 22.01 H new ATOM 0 HB1 ALA A 52 15.920 -11.627 -19.215 1.00 73.01 H new ATOM 0 HB2 ALA A 52 14.834 -10.407 -19.921 1.00 73.01 H new ATOM 0 HB3 ALA A 52 15.073 -11.967 -20.743 1.00 73.01 H new ATOM 804 N ASP A 53 17.703 -12.305 -22.346 1.00 64.21 N ATOM 805 CA ASP A 53 18.656 -13.347 -22.714 1.00 54.33 C ATOM 806 C ASP A 53 19.756 -12.785 -23.609 1.00 3.02 C ATOM 807 O ASP A 53 19.638 -12.793 -24.834 1.00 52.15 O ATOM 808 CB ASP A 53 17.938 -14.494 -23.427 1.00 24.43 C ATOM 809 CG ASP A 53 18.898 -15.409 -24.163 1.00 11.33 C ATOM 810 OD1 ASP A 53 20.014 -15.635 -23.649 1.00 71.14 O ATOM 811 OD2 ASP A 53 18.533 -15.899 -25.252 1.00 13.44 O ATOM 0 H ASP A 53 16.991 -12.116 -23.051 1.00 64.21 H new ATOM 0 HA ASP A 53 19.114 -13.726 -21.801 1.00 54.33 H new ATOM 0 HB2 ASP A 53 17.374 -15.075 -22.698 1.00 24.43 H new ATOM 0 HB3 ASP A 53 17.217 -14.084 -24.134 1.00 24.43 H new ATOM 866 N GLY A 58 18.445 -18.543 -26.099 1.00 74.41 N ATOM 867 CA GLY A 58 17.437 -19.548 -25.813 1.00 24.31 C ATOM 868 C GLY A 58 17.254 -19.778 -24.326 1.00 13.11 C ATOM 869 O GLY A 58 16.229 -20.307 -23.896 1.00 24.23 O ATOM 0 HA2 GLY A 58 16.487 -19.240 -26.250 1.00 24.31 H new ATOM 0 HA3 GLY A 58 17.718 -20.486 -26.291 1.00 24.31 H new ATOM 873 N GLN A 59 18.249 -19.380 -23.540 1.00 21.51 N ATOM 874 CA GLN A 59 18.193 -19.549 -22.093 1.00 13.44 C ATOM 875 C GLN A 59 18.394 -18.215 -21.381 1.00 51.54 C ATOM 876 O GLN A 59 19.163 -17.367 -21.835 1.00 53.13 O ATOM 877 CB GLN A 59 19.253 -20.550 -21.633 1.00 24.23 C ATOM 878 CG GLN A 59 18.764 -21.989 -21.614 1.00 73.31 C ATOM 879 CD GLN A 59 18.708 -22.605 -22.998 1.00 41.34 C ATOM 880 OE1 GLN A 59 17.631 -22.908 -23.513 1.00 2.41 O ATOM 881 NE2 GLN A 59 19.872 -22.793 -23.610 1.00 74.10 N ATOM 0 H GLN A 59 19.103 -18.939 -23.881 1.00 21.51 H new ATOM 0 HA GLN A 59 17.206 -19.933 -21.836 1.00 13.44 H new ATOM 0 HB2 GLN A 59 20.119 -20.478 -22.291 1.00 24.23 H new ATOM 0 HB3 GLN A 59 19.589 -20.276 -20.633 1.00 24.23 H new ATOM 0 HG2 GLN A 59 19.423 -22.584 -20.982 1.00 73.31 H new ATOM 0 HG3 GLN A 59 17.772 -22.026 -21.164 1.00 73.31 H new ATOM 0 HE21 GLN A 59 20.741 -22.527 -23.146 1.00 74.10 H new ATOM 0 HE22 GLN A 59 19.897 -23.203 -24.544 1.00 74.10 H new ATOM 890 N VAL A 60 17.697 -18.034 -20.264 1.00 23.44 N ATOM 891 CA VAL A 60 17.800 -16.804 -19.489 1.00 11.41 C ATOM 892 C VAL A 60 18.772 -16.966 -18.326 1.00 12.24 C ATOM 893 O VAL A 60 18.865 -18.036 -17.726 1.00 61.13 O ATOM 894 CB VAL A 60 16.428 -16.370 -18.940 1.00 54.32 C ATOM 895 CG1 VAL A 60 16.517 -14.990 -18.307 1.00 45.53 C ATOM 896 CG2 VAL A 60 15.382 -16.392 -20.045 1.00 14.24 C ATOM 0 H VAL A 60 17.054 -18.724 -19.875 1.00 23.44 H new ATOM 0 HA VAL A 60 18.173 -16.035 -20.165 1.00 11.41 H new ATOM 0 HB VAL A 60 16.125 -17.078 -18.168 1.00 54.32 H new ATOM 0 HG11 VAL A 60 15.538 -14.701 -17.925 1.00 45.53 H new ATOM 0 HG12 VAL A 60 17.235 -15.012 -17.487 1.00 45.53 H new ATOM 0 HG13 VAL A 60 16.843 -14.267 -19.055 1.00 45.53 H new ATOM 0 HG21 VAL A 60 14.418 -16.083 -19.640 1.00 14.24 H new ATOM 0 HG22 VAL A 60 15.678 -15.708 -20.840 1.00 14.24 H new ATOM 0 HG23 VAL A 60 15.299 -17.402 -20.448 1.00 14.24 H new ATOM 906 N ASN A 61 19.494 -15.895 -18.011 1.00 71.23 N ATOM 907 CA ASN A 61 20.460 -15.919 -16.919 1.00 11.42 C ATOM 908 C ASN A 61 19.766 -15.720 -15.575 1.00 11.13 C ATOM 909 O ASN A 61 19.048 -14.740 -15.374 1.00 32.11 O ATOM 910 CB ASN A 61 21.519 -14.834 -17.124 1.00 3.12 C ATOM 911 CG ASN A 61 22.901 -15.413 -17.357 1.00 45.43 C ATOM 912 OD1 ASN A 61 23.815 -15.208 -16.558 1.00 63.02 O ATOM 913 ND2 ASN A 61 23.060 -16.139 -18.457 1.00 63.43 N ATOM 0 H ASN A 61 19.428 -15.000 -18.496 1.00 71.23 H new ATOM 0 HA ASN A 61 20.945 -16.895 -16.917 1.00 11.42 H new ATOM 0 HB2 ASN A 61 21.240 -14.213 -17.975 1.00 3.12 H new ATOM 0 HB3 ASN A 61 21.543 -14.184 -16.250 1.00 3.12 H new ATOM 0 HD21 ASN A 61 23.968 -16.553 -18.668 1.00 63.43 H new ATOM 0 HD22 ASN A 61 22.274 -16.283 -19.091 1.00 63.43 H new ATOM 920 N TYR A 62 19.986 -16.655 -14.658 1.00 31.43 N ATOM 921 CA TYR A 62 19.381 -16.584 -13.333 1.00 74.51 C ATOM 922 C TYR A 62 19.818 -15.319 -12.601 1.00 71.24 C ATOM 923 O TYR A 62 19.148 -14.863 -11.675 1.00 44.44 O ATOM 924 CB TYR A 62 19.757 -17.818 -12.511 1.00 33.31 C ATOM 925 CG TYR A 62 19.405 -17.699 -11.045 1.00 71.42 C ATOM 926 CD1 TYR A 62 18.117 -17.366 -10.644 1.00 61.22 C ATOM 927 CD2 TYR A 62 20.361 -17.921 -10.061 1.00 75.52 C ATOM 928 CE1 TYR A 62 17.792 -17.256 -9.306 1.00 53.32 C ATOM 929 CE2 TYR A 62 20.044 -17.815 -8.721 1.00 13.23 C ATOM 930 CZ TYR A 62 18.758 -17.481 -8.348 1.00 62.24 C ATOM 931 OH TYR A 62 18.438 -17.374 -7.014 1.00 53.45 O ATOM 0 H TYR A 62 20.579 -17.471 -14.808 1.00 31.43 H new ATOM 0 HA TYR A 62 18.299 -16.554 -13.457 1.00 74.51 H new ATOM 0 HB2 TYR A 62 19.252 -18.690 -12.928 1.00 33.31 H new ATOM 0 HB3 TYR A 62 20.828 -17.995 -12.606 1.00 33.31 H new ATOM 0 HD1 TYR A 62 17.357 -17.190 -11.391 1.00 61.22 H new ATOM 0 HD2 TYR A 62 21.369 -18.181 -10.349 1.00 75.52 H new ATOM 0 HE1 TYR A 62 16.786 -16.995 -9.012 1.00 53.32 H new ATOM 0 HE2 TYR A 62 20.799 -17.993 -7.969 1.00 13.23 H new ATOM 0 HH TYR A 62 17.832 -18.102 -6.763 1.00 53.45 H new ATOM 941 N GLU A 63 20.946 -14.758 -13.025 1.00 70.14 N ATOM 942 CA GLU A 63 21.473 -13.546 -12.411 1.00 3.54 C ATOM 943 C GLU A 63 20.888 -12.301 -13.073 1.00 24.23 C ATOM 944 O GLU A 63 20.920 -11.210 -12.504 1.00 51.42 O ATOM 945 CB GLU A 63 23.000 -13.519 -12.510 1.00 30.44 C ATOM 946 CG GLU A 63 23.689 -14.460 -11.535 1.00 42.13 C ATOM 947 CD GLU A 63 25.027 -14.955 -12.050 1.00 73.31 C ATOM 948 OE1 GLU A 63 25.450 -14.500 -13.133 1.00 45.11 O ATOM 949 OE2 GLU A 63 25.649 -15.798 -11.371 1.00 3.12 O ATOM 0 H GLU A 63 21.512 -15.124 -13.791 1.00 70.14 H new ATOM 0 HA GLU A 63 21.184 -13.548 -11.360 1.00 3.54 H new ATOM 0 HB2 GLU A 63 23.295 -13.782 -13.526 1.00 30.44 H new ATOM 0 HB3 GLU A 63 23.350 -12.502 -12.330 1.00 30.44 H new ATOM 0 HG2 GLU A 63 23.837 -13.948 -10.584 1.00 42.13 H new ATOM 0 HG3 GLU A 63 23.040 -15.314 -11.340 1.00 42.13 H new ATOM 956 N ASP A 64 20.356 -12.474 -14.277 1.00 71.43 N ATOM 957 CA ASP A 64 19.763 -11.367 -15.018 1.00 1.43 C ATOM 958 C ASP A 64 18.339 -11.095 -14.542 1.00 62.42 C ATOM 959 O ASP A 64 18.023 -9.994 -14.091 1.00 63.22 O ATOM 960 CB ASP A 64 19.765 -11.668 -16.517 1.00 74.50 C ATOM 961 CG ASP A 64 20.943 -11.039 -17.233 1.00 43.02 C ATOM 962 OD1 ASP A 64 20.917 -9.810 -17.452 1.00 44.50 O ATOM 963 OD2 ASP A 64 21.892 -11.776 -17.574 1.00 41.40 O ATOM 0 H ASP A 64 20.323 -13.371 -14.761 1.00 71.43 H new ATOM 0 HA ASP A 64 20.364 -10.477 -14.834 1.00 1.43 H new ATOM 0 HB2 ASP A 64 19.786 -12.747 -16.668 1.00 74.50 H new ATOM 0 HB3 ASP A 64 18.838 -11.303 -16.959 1.00 74.50 H new ATOM 968 N PHE A 65 17.483 -12.106 -14.647 1.00 61.33 N ATOM 969 CA PHE A 65 16.092 -11.977 -14.230 1.00 51.50 C ATOM 970 C PHE A 65 15.999 -11.438 -12.805 1.00 43.04 C ATOM 971 O PHE A 65 15.268 -10.485 -12.536 1.00 74.20 O ATOM 972 CB PHE A 65 15.381 -13.328 -14.324 1.00 20.25 C ATOM 973 CG PHE A 65 13.887 -13.214 -14.429 1.00 1.23 C ATOM 974 CD1 PHE A 65 13.293 -12.783 -15.604 1.00 1.30 C ATOM 975 CD2 PHE A 65 13.077 -13.538 -13.353 1.00 13.14 C ATOM 976 CE1 PHE A 65 11.919 -12.676 -15.703 1.00 12.20 C ATOM 977 CE2 PHE A 65 11.702 -13.433 -13.446 1.00 34.41 C ATOM 978 CZ PHE A 65 11.122 -13.003 -14.623 1.00 51.31 C ATOM 0 H PHE A 65 17.729 -13.024 -15.018 1.00 61.33 H new ATOM 0 HA PHE A 65 15.602 -11.270 -14.900 1.00 51.50 H new ATOM 0 HB2 PHE A 65 15.758 -13.868 -15.193 1.00 20.25 H new ATOM 0 HB3 PHE A 65 15.631 -13.923 -13.446 1.00 20.25 H new ATOM 0 HD1 PHE A 65 13.911 -12.528 -16.452 1.00 1.30 H new ATOM 0 HD2 PHE A 65 13.525 -13.877 -12.431 1.00 13.14 H new ATOM 0 HE1 PHE A 65 11.468 -12.337 -16.624 1.00 12.20 H new ATOM 0 HE2 PHE A 65 11.082 -13.687 -12.599 1.00 34.41 H new ATOM 0 HZ PHE A 65 10.048 -12.922 -14.699 1.00 51.31 H new ATOM 988 N VAL A 66 16.746 -12.056 -11.896 1.00 4.32 N ATOM 989 CA VAL A 66 16.750 -11.639 -10.499 1.00 20.34 C ATOM 990 C VAL A 66 16.993 -10.139 -10.373 1.00 32.42 C ATOM 991 O VAL A 66 16.357 -9.464 -9.564 1.00 21.22 O ATOM 992 CB VAL A 66 17.825 -12.392 -9.691 1.00 53.44 C ATOM 993 CG1 VAL A 66 17.430 -13.848 -9.504 1.00 73.52 C ATOM 994 CG2 VAL A 66 19.179 -12.282 -10.376 1.00 12.51 C ATOM 0 H VAL A 66 17.356 -12.847 -12.102 1.00 4.32 H new ATOM 0 HA VAL A 66 15.767 -11.880 -10.095 1.00 20.34 H new ATOM 0 HB VAL A 66 17.903 -11.933 -8.706 1.00 53.44 H new ATOM 0 HG11 VAL A 66 18.201 -14.364 -8.931 1.00 73.52 H new ATOM 0 HG12 VAL A 66 16.483 -13.902 -8.968 1.00 73.52 H new ATOM 0 HG13 VAL A 66 17.323 -14.324 -10.479 1.00 73.52 H new ATOM 0 HG21 VAL A 66 19.927 -12.819 -9.792 1.00 12.51 H new ATOM 0 HG22 VAL A 66 19.118 -12.715 -11.374 1.00 12.51 H new ATOM 0 HG23 VAL A 66 19.464 -11.233 -10.453 1.00 12.51 H new ATOM 1004 N GLN A 67 17.916 -9.625 -11.179 1.00 21.32 N ATOM 1005 CA GLN A 67 18.243 -8.204 -11.157 1.00 73.41 C ATOM 1006 C GLN A 67 17.067 -7.368 -11.652 1.00 64.00 C ATOM 1007 O GLN A 67 16.845 -6.253 -11.182 1.00 3.33 O ATOM 1008 CB GLN A 67 19.477 -7.930 -12.018 1.00 23.23 C ATOM 1009 CG GLN A 67 20.503 -7.034 -11.342 1.00 72.03 C ATOM 1010 CD GLN A 67 20.637 -5.686 -12.022 1.00 44.23 C ATOM 1011 OE1 GLN A 67 19.661 -4.950 -12.167 1.00 75.32 O ATOM 1012 NE2 GLN A 67 21.852 -5.354 -12.444 1.00 1.32 N ATOM 0 H GLN A 67 18.450 -10.171 -11.855 1.00 21.32 H new ATOM 0 HA GLN A 67 18.458 -7.922 -10.126 1.00 73.41 H new ATOM 0 HB2 GLN A 67 19.948 -8.879 -12.275 1.00 23.23 H new ATOM 0 HB3 GLN A 67 19.162 -7.467 -12.953 1.00 23.23 H new ATOM 0 HG2 GLN A 67 20.219 -6.885 -10.300 1.00 72.03 H new ATOM 0 HG3 GLN A 67 21.472 -7.534 -11.340 1.00 72.03 H new ATOM 0 HE21 GLN A 67 22.633 -5.994 -12.303 1.00 1.32 H new ATOM 0 HE22 GLN A 67 22.004 -4.459 -12.909 1.00 1.32 H new ATOM 1021 N MET A 68 16.318 -7.914 -12.604 1.00 30.40 N ATOM 1022 CA MET A 68 15.164 -7.218 -13.162 1.00 25.11 C ATOM 1023 C MET A 68 14.002 -7.214 -12.174 1.00 72.44 C ATOM 1024 O MET A 68 13.397 -6.174 -11.918 1.00 53.01 O ATOM 1025 CB MET A 68 14.732 -7.874 -14.475 1.00 12.14 C ATOM 1026 CG MET A 68 14.815 -6.945 -15.675 1.00 2.54 C ATOM 1027 SD MET A 68 13.447 -5.772 -15.741 1.00 43.31 S ATOM 1028 CE MET A 68 13.049 -5.815 -17.487 1.00 35.32 C ATOM 0 H MET A 68 16.489 -8.836 -13.005 1.00 30.40 H new ATOM 0 HA MET A 68 15.453 -6.186 -13.359 1.00 25.11 H new ATOM 0 HB2 MET A 68 15.358 -8.747 -14.658 1.00 12.14 H new ATOM 0 HB3 MET A 68 13.707 -8.232 -14.373 1.00 12.14 H new ATOM 0 HG2 MET A 68 15.757 -6.397 -15.641 1.00 2.54 H new ATOM 0 HG3 MET A 68 14.824 -7.539 -16.589 1.00 2.54 H new ATOM 0 HE1 MET A 68 12.218 -5.138 -17.688 1.00 35.32 H new ATOM 0 HE2 MET A 68 13.918 -5.504 -18.066 1.00 35.32 H new ATOM 0 HE3 MET A 68 12.768 -6.829 -17.771 1.00 35.32 H new ATOM 1038 N MET A 69 13.695 -8.385 -11.624 1.00 0.50 N ATOM 1039 CA MET A 69 12.605 -8.515 -10.664 1.00 0.30 C ATOM 1040 C MET A 69 12.826 -7.601 -9.463 1.00 4.40 C ATOM 1041 O MET A 69 11.896 -6.953 -8.982 1.00 52.23 O ATOM 1042 CB MET A 69 12.478 -9.966 -10.198 1.00 73.42 C ATOM 1043 CG MET A 69 11.908 -10.897 -11.257 1.00 44.40 C ATOM 1044 SD MET A 69 10.185 -10.536 -11.644 1.00 34.00 S ATOM 1045 CE MET A 69 10.315 -10.073 -13.369 1.00 75.24 C ATOM 0 H MET A 69 14.185 -9.256 -11.827 1.00 0.50 H new ATOM 0 HA MET A 69 11.681 -8.218 -11.159 1.00 0.30 H new ATOM 0 HB2 MET A 69 13.460 -10.330 -9.897 1.00 73.42 H new ATOM 0 HB3 MET A 69 11.841 -10.001 -9.314 1.00 73.42 H new ATOM 0 HG2 MET A 69 12.505 -10.816 -12.165 1.00 44.40 H new ATOM 0 HG3 MET A 69 11.991 -11.928 -10.912 1.00 44.40 H new ATOM 0 HE1 MET A 69 10.112 -9.007 -13.476 1.00 75.24 H new ATOM 0 HE2 MET A 69 11.321 -10.289 -13.729 1.00 75.24 H new ATOM 0 HE3 MET A 69 9.591 -10.641 -13.954 1.00 75.24 H new ATOM 1055 N THR A 70 14.065 -7.553 -8.981 1.00 53.34 N ATOM 1056 CA THR A 70 14.408 -6.719 -7.836 1.00 35.51 C ATOM 1057 C THR A 70 14.342 -5.239 -8.194 1.00 31.15 C ATOM 1058 O THR A 70 14.078 -4.395 -7.338 1.00 31.34 O ATOM 1059 CB THR A 70 15.816 -7.046 -7.305 1.00 44.25 C ATOM 1060 OG1 THR A 70 15.889 -8.424 -6.925 1.00 23.33 O ATOM 1061 CG2 THR A 70 16.163 -6.166 -6.114 1.00 21.33 C ATOM 0 H THR A 70 14.847 -8.082 -9.366 1.00 53.34 H new ATOM 0 HA THR A 70 13.676 -6.934 -7.058 1.00 35.51 H new ATOM 0 HB THR A 70 16.535 -6.852 -8.101 1.00 44.25 H new ATOM 0 HG1 THR A 70 16.050 -8.974 -7.720 1.00 23.33 H new ATOM 0 HG21 THR A 70 17.162 -6.415 -5.756 1.00 21.33 H new ATOM 0 HG22 THR A 70 16.136 -5.119 -6.415 1.00 21.33 H new ATOM 0 HG23 THR A 70 15.440 -6.332 -5.316 1.00 21.33 H new ATOM 1069 N ALA A 71 14.583 -4.931 -9.464 1.00 0.34 N ATOM 1070 CA ALA A 71 14.548 -3.552 -9.935 1.00 4.33 C ATOM 1071 C ALA A 71 13.113 -3.054 -10.070 1.00 4.44 C ATOM 1072 O ALA A 71 12.821 -1.889 -9.797 1.00 30.24 O ATOM 1073 CB ALA A 71 15.279 -3.430 -11.264 1.00 13.41 C ATOM 0 H ALA A 71 14.805 -5.618 -10.185 1.00 0.34 H new ATOM 0 HA ALA A 71 15.053 -2.929 -9.197 1.00 4.33 H new ATOM 0 HB1 ALA A 71 15.245 -2.395 -11.604 1.00 13.41 H new ATOM 0 HB2 ALA A 71 16.317 -3.737 -11.138 1.00 13.41 H new ATOM 0 HB3 ALA A 71 14.799 -4.071 -12.004 1.00 13.41 H new