USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 748 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 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 MET CE :methyl 164:sc= -1.47 (180deg=-1.61) USER MOD Set 2.1: A 11 MET CE :methyl 174:sc= 0 (180deg=-0.046) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -166:sc=-0.00133 (180deg=-0.0491) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -103:sc= 0.124 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.000463 X(o=-0.00046,f=-0.027) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.83) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.145 K(o=-0.15,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -30:sc= 0.899 USER MOD Single : A 56 THR OG1 : rot 159:sc= -0.504 USER MOD Single : A 59 GLN : amide:sc= -0.659 K(o=-0.66,f=-1.5!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.446 K(o=-0.45,f=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 77 SER OG : rot 180:sc= -0.156 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -147:sc= 0 (180deg=-0.0706) USER MOD Single : A 86 THR OG1 : rot -93:sc= -1.52 USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= -0.281 (180deg=-0.332) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 99 THR OG1 : rot -60:sc= 0.921 USER MOD Single : A 101 SER OG : rot -46:sc= 1.32 USER MOD Single : A 102 THR OG1 : rot 142:sc= 0.092 USER MOD Single : A 108 ASN : amide:sc=-0.00307 X(o=-0.0031,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 9.304 6.568 9.300 1.00 22.41 N ATOM 93 CA ARG A 7 9.610 5.212 9.741 1.00 12.14 C ATOM 94 C ARG A 7 8.694 4.199 9.061 1.00 52.22 C ATOM 95 O ARG A 7 9.114 3.089 8.734 1.00 52.13 O ATOM 96 CB ARG A 7 9.468 5.104 11.261 1.00 62.52 C ATOM 97 CG ARG A 7 8.093 5.496 11.774 1.00 55.41 C ATOM 98 CD ARG A 7 8.173 6.135 13.152 1.00 62.42 C ATOM 99 NE ARG A 7 8.936 5.316 14.090 1.00 33.24 N ATOM 100 CZ ARG A 7 8.461 4.212 14.656 1.00 20.34 C ATOM 101 NH1 ARG A 7 7.233 3.797 14.380 1.00 74.41 N ATOM 102 NH2 ARG A 7 9.216 3.520 15.501 1.00 51.24 N ATOM 0 HA ARG A 7 10.640 4.989 9.462 1.00 12.14 H new ATOM 0 HB2 ARG A 7 9.681 4.079 11.565 1.00 62.52 H new ATOM 0 HB3 ARG A 7 10.217 5.739 11.733 1.00 62.52 H new ATOM 0 HG2 ARG A 7 7.628 6.192 11.076 1.00 55.41 H new ATOM 0 HG3 ARG A 7 7.455 4.614 11.818 1.00 55.41 H new ATOM 0 HD2 ARG A 7 8.636 7.118 13.070 1.00 62.42 H new ATOM 0 HD3 ARG A 7 7.166 6.288 13.540 1.00 62.42 H new ATOM 0 HE ARG A 7 9.885 5.607 14.323 1.00 33.24 H new ATOM 0 HH11 ARG A 7 6.650 4.326 13.731 1.00 74.41 H new ATOM 0 HH12 ARG A 7 6.871 2.949 14.816 1.00 74.41 H new ATOM 0 HH21 ARG A 7 10.162 3.836 15.716 1.00 51.24 H new ATOM 0 HH22 ARG A 7 8.850 2.672 15.935 1.00 51.24 H new ATOM 116 N ASP A 8 7.441 4.589 8.851 1.00 4.32 N ATOM 117 CA ASP A 8 6.466 3.716 8.209 1.00 12.12 C ATOM 118 C ASP A 8 6.904 3.361 6.792 1.00 51.44 C ATOM 119 O ASP A 8 6.662 2.252 6.316 1.00 11.01 O ATOM 120 CB ASP A 8 5.091 4.387 8.179 1.00 65.42 C ATOM 121 CG ASP A 8 3.974 3.404 7.887 1.00 3.14 C ATOM 122 OD1 ASP A 8 4.002 2.776 6.808 1.00 4.10 O ATOM 123 OD2 ASP A 8 3.072 3.262 8.739 1.00 42.40 O ATOM 0 H ASP A 8 7.077 5.504 9.116 1.00 4.32 H new ATOM 0 HA ASP A 8 6.400 2.796 8.790 1.00 12.12 H new ATOM 0 HB2 ASP A 8 4.905 4.870 9.138 1.00 65.42 H new ATOM 0 HB3 ASP A 8 5.089 5.171 7.422 1.00 65.42 H new ATOM 128 N TRP A 9 7.548 4.311 6.122 1.00 30.54 N ATOM 129 CA TRP A 9 8.019 4.098 4.758 1.00 12.33 C ATOM 130 C TRP A 9 9.295 3.264 4.746 1.00 1.45 C ATOM 131 O TRP A 9 9.383 2.254 4.048 1.00 54.53 O ATOM 132 CB TRP A 9 8.265 5.440 4.067 1.00 3.54 C ATOM 133 CG TRP A 9 8.867 5.304 2.702 1.00 63.24 C ATOM 134 CD1 TRP A 9 10.196 5.321 2.386 1.00 31.22 C ATOM 135 CD2 TRP A 9 8.162 5.131 1.468 1.00 41.23 C ATOM 136 NE1 TRP A 9 10.359 5.169 1.030 1.00 1.32 N ATOM 137 CE2 TRP A 9 9.127 5.050 0.444 1.00 13.13 C ATOM 138 CE3 TRP A 9 6.810 5.035 1.128 1.00 41.33 C ATOM 139 CZ2 TRP A 9 8.780 4.879 -0.893 1.00 70.02 C ATOM 140 CZ3 TRP A 9 6.468 4.866 -0.200 1.00 74.23 C ATOM 141 CH2 TRP A 9 7.449 4.788 -1.197 1.00 51.25 C ATOM 0 H TRP A 9 7.756 5.235 6.501 1.00 30.54 H new ATOM 0 HA TRP A 9 7.247 3.553 4.214 1.00 12.33 H new ATOM 0 HB2 TRP A 9 7.320 5.978 3.988 1.00 3.54 H new ATOM 0 HB3 TRP A 9 8.925 6.045 4.689 1.00 3.54 H new ATOM 0 HD1 TRP A 9 11.000 5.437 3.097 1.00 31.22 H new ATOM 0 HE1 TRP A 9 11.253 5.148 0.539 1.00 1.32 H new ATOM 0 HE3 TRP A 9 6.046 5.092 1.889 1.00 41.33 H new ATOM 0 HZ2 TRP A 9 9.535 4.820 -1.663 1.00 70.02 H new ATOM 0 HZ3 TRP A 9 5.426 4.793 -0.474 1.00 74.23 H new ATOM 0 HH2 TRP A 9 7.149 4.653 -2.226 1.00 51.25 H new ATOM 152 N LYS A 10 10.284 3.692 5.524 1.00 14.53 N ATOM 153 CA LYS A 10 11.556 2.985 5.605 1.00 72.51 C ATOM 154 C LYS A 10 11.344 1.529 6.007 1.00 33.43 C ATOM 155 O LYS A 10 11.994 0.628 5.478 1.00 23.14 O ATOM 156 CB LYS A 10 12.483 3.672 6.609 1.00 10.55 C ATOM 157 CG LYS A 10 13.888 3.096 6.634 1.00 32.34 C ATOM 158 CD LYS A 10 14.685 3.620 7.817 1.00 40.11 C ATOM 159 CE LYS A 10 15.980 2.844 8.004 1.00 13.05 C ATOM 160 NZ LYS A 10 15.799 1.674 8.908 1.00 42.10 N ATOM 0 H LYS A 10 10.228 4.526 6.108 1.00 14.53 H new ATOM 0 HA LYS A 10 12.019 3.008 4.618 1.00 72.51 H new ATOM 0 HB2 LYS A 10 12.539 4.734 6.371 1.00 10.55 H new ATOM 0 HB3 LYS A 10 12.049 3.591 7.606 1.00 10.55 H new ATOM 0 HG2 LYS A 10 13.835 2.008 6.683 1.00 32.34 H new ATOM 0 HG3 LYS A 10 14.402 3.349 5.707 1.00 32.34 H new ATOM 0 HD2 LYS A 10 14.911 4.676 7.666 1.00 40.11 H new ATOM 0 HD3 LYS A 10 14.083 3.549 8.723 1.00 40.11 H new ATOM 0 HE2 LYS A 10 16.342 2.502 7.034 1.00 13.05 H new ATOM 0 HE3 LYS A 10 16.744 3.505 8.414 1.00 13.05 H new ATOM 0 HZ1 LYS A 10 16.704 1.171 9.010 1.00 42.10 H new ATOM 0 HZ2 LYS A 10 15.478 2.003 9.841 1.00 42.10 H new ATOM 0 HZ3 LYS A 10 15.089 1.030 8.505 1.00 42.10 H new ATOM 174 N MET A 11 10.429 1.306 6.945 1.00 33.21 N ATOM 175 CA MET A 11 10.130 -0.042 7.416 1.00 55.34 C ATOM 176 C MET A 11 9.383 -0.837 6.349 1.00 2.20 C ATOM 177 O MET A 11 9.726 -1.984 6.064 1.00 53.35 O ATOM 178 CB MET A 11 9.300 0.016 8.699 1.00 34.15 C ATOM 179 CG MET A 11 9.144 -1.333 9.383 1.00 15.32 C ATOM 180 SD MET A 11 10.135 -1.470 10.883 1.00 64.34 S ATOM 181 CE MET A 11 10.190 -3.248 11.090 1.00 24.43 C ATOM 0 H MET A 11 9.882 2.041 7.394 1.00 33.21 H new ATOM 0 HA MET A 11 11.074 -0.545 7.625 1.00 55.34 H new ATOM 0 HB2 MET A 11 9.767 0.714 9.393 1.00 34.15 H new ATOM 0 HB3 MET A 11 8.312 0.412 8.465 1.00 34.15 H new ATOM 0 HG2 MET A 11 8.094 -1.491 9.630 1.00 15.32 H new ATOM 0 HG3 MET A 11 9.431 -2.123 8.689 1.00 15.32 H new ATOM 0 HE1 MET A 11 10.856 -3.498 11.916 1.00 24.43 H new ATOM 0 HE2 MET A 11 9.189 -3.620 11.307 1.00 24.43 H new ATOM 0 HE3 MET A 11 10.558 -3.710 10.174 1.00 24.43 H new ATOM 191 N ALA A 12 8.362 -0.220 5.764 1.00 52.21 N ATOM 192 CA ALA A 12 7.569 -0.870 4.728 1.00 53.20 C ATOM 193 C ALA A 12 8.460 -1.434 3.627 1.00 22.10 C ATOM 194 O ALA A 12 8.187 -2.504 3.082 1.00 50.24 O ATOM 195 CB ALA A 12 6.560 0.108 4.144 1.00 42.32 C ATOM 0 H ALA A 12 8.064 0.729 5.990 1.00 52.21 H new ATOM 0 HA ALA A 12 7.031 -1.701 5.185 1.00 53.20 H new ATOM 0 HB1 ALA A 12 5.975 -0.391 3.372 1.00 42.32 H new ATOM 0 HB2 ALA A 12 5.895 0.459 4.933 1.00 42.32 H new ATOM 0 HB3 ALA A 12 7.087 0.957 3.708 1.00 42.32 H new ATOM 201 N ILE A 13 9.526 -0.709 3.305 1.00 54.51 N ATOM 202 CA ILE A 13 10.457 -1.138 2.269 1.00 11.10 C ATOM 203 C ILE A 13 11.437 -2.176 2.806 1.00 15.43 C ATOM 204 O ILE A 13 11.818 -3.110 2.101 1.00 41.32 O ATOM 205 CB ILE A 13 11.250 0.052 1.696 1.00 34.14 C ATOM 206 CG1 ILE A 13 10.295 1.096 1.113 1.00 71.51 C ATOM 207 CG2 ILE A 13 12.232 -0.426 0.637 1.00 34.53 C ATOM 208 CD1 ILE A 13 9.503 0.593 -0.074 1.00 50.30 C ATOM 0 H ILE A 13 9.766 0.178 3.747 1.00 54.51 H new ATOM 0 HA ILE A 13 9.860 -1.583 1.473 1.00 11.10 H new ATOM 0 HB ILE A 13 11.815 0.516 2.504 1.00 34.14 H new ATOM 0 HG12 ILE A 13 9.603 1.419 1.891 1.00 71.51 H new ATOM 0 HG13 ILE A 13 10.868 1.973 0.812 1.00 71.51 H new ATOM 0 HG21 ILE A 13 12.785 0.426 0.242 1.00 34.53 H new ATOM 0 HG22 ILE A 13 12.929 -1.136 1.082 1.00 34.53 H new ATOM 0 HG23 ILE A 13 11.687 -0.911 -0.172 1.00 34.53 H new ATOM 0 HD11 ILE A 13 8.847 1.385 -0.436 1.00 50.30 H new ATOM 0 HD12 ILE A 13 10.187 0.297 -0.869 1.00 50.30 H new ATOM 0 HD13 ILE A 13 8.903 -0.266 0.227 1.00 50.30 H new ATOM 219 N LYS A 14 11.839 -2.007 4.061 1.00 4.21 N ATOM 220 CA LYS A 14 12.772 -2.930 4.696 1.00 5.24 C ATOM 221 C LYS A 14 12.215 -4.350 4.701 1.00 12.54 C ATOM 222 O LYS A 14 12.968 -5.323 4.670 1.00 5.52 O ATOM 223 CB LYS A 14 13.069 -2.482 6.129 1.00 11.14 C ATOM 224 CG LYS A 14 13.973 -3.437 6.890 1.00 15.54 C ATOM 225 CD LYS A 14 14.807 -2.706 7.929 1.00 15.05 C ATOM 226 CE LYS A 14 14.700 -3.367 9.295 1.00 34.01 C ATOM 227 NZ LYS A 14 13.341 -3.209 9.883 1.00 55.10 N ATOM 0 H LYS A 14 11.533 -1.239 4.659 1.00 4.21 H new ATOM 0 HA LYS A 14 13.698 -2.924 4.121 1.00 5.24 H new ATOM 0 HB2 LYS A 14 13.535 -1.497 6.104 1.00 11.14 H new ATOM 0 HB3 LYS A 14 12.129 -2.376 6.670 1.00 11.14 H new ATOM 0 HG2 LYS A 14 13.368 -4.200 7.379 1.00 15.54 H new ATOM 0 HG3 LYS A 14 14.631 -3.952 6.190 1.00 15.54 H new ATOM 0 HD2 LYS A 14 15.850 -2.688 7.613 1.00 15.05 H new ATOM 0 HD3 LYS A 14 14.477 -1.669 7.998 1.00 15.05 H new ATOM 0 HE2 LYS A 14 14.936 -4.427 9.205 1.00 34.01 H new ATOM 0 HE3 LYS A 14 15.439 -2.932 9.968 1.00 34.01 H new ATOM 0 HZ1 LYS A 14 13.369 -3.456 10.893 1.00 55.10 H new ATOM 0 HZ2 LYS A 14 13.029 -2.223 9.776 1.00 55.10 H new ATOM 0 HZ3 LYS A 14 12.675 -3.838 9.391 1.00 55.10 H new ATOM 241 N ARG A 15 10.891 -4.460 4.740 1.00 70.35 N ATOM 242 CA ARG A 15 10.233 -5.761 4.748 1.00 21.32 C ATOM 243 C ARG A 15 9.953 -6.238 3.326 1.00 33.31 C ATOM 244 O ARG A 15 10.388 -7.319 2.926 1.00 14.11 O ATOM 245 CB ARG A 15 8.927 -5.691 5.541 1.00 54.33 C ATOM 246 CG ARG A 15 9.088 -5.093 6.929 1.00 31.30 C ATOM 247 CD ARG A 15 8.257 -5.844 7.958 1.00 2.33 C ATOM 248 NE ARG A 15 8.898 -5.862 9.271 1.00 54.53 N ATOM 249 CZ ARG A 15 9.900 -6.673 9.588 1.00 4.22 C ATOM 250 NH1 ARG A 15 10.375 -7.528 8.693 1.00 51.44 N ATOM 251 NH2 ARG A 15 10.431 -6.630 10.804 1.00 51.33 N ATOM 0 H ARG A 15 10.253 -3.664 4.767 1.00 70.35 H new ATOM 0 HA ARG A 15 10.903 -6.476 5.227 1.00 21.32 H new ATOM 0 HB2 ARG A 15 8.203 -5.099 4.981 1.00 54.33 H new ATOM 0 HB3 ARG A 15 8.514 -6.695 5.633 1.00 54.33 H new ATOM 0 HG2 ARG A 15 10.139 -5.120 7.218 1.00 31.30 H new ATOM 0 HG3 ARG A 15 8.788 -4.045 6.912 1.00 31.30 H new ATOM 0 HD2 ARG A 15 7.275 -5.379 8.040 1.00 2.33 H new ATOM 0 HD3 ARG A 15 8.097 -6.867 7.618 1.00 2.33 H new ATOM 0 HE ARG A 15 8.557 -5.216 9.983 1.00 54.53 H new ATOM 0 HH11 ARG A 15 9.970 -7.564 7.757 1.00 51.44 H new ATOM 0 HH12 ARG A 15 11.145 -8.150 8.940 1.00 51.44 H new ATOM 0 HH21 ARG A 15 10.069 -5.973 11.496 1.00 51.33 H new ATOM 0 HH22 ARG A 15 11.201 -7.254 11.047 1.00 51.33 H new ATOM 265 N CYS A 16 9.224 -5.426 2.568 1.00 21.34 N ATOM 266 CA CYS A 16 8.884 -5.766 1.191 1.00 3.31 C ATOM 267 C CYS A 16 10.141 -6.049 0.375 1.00 23.10 C ATOM 268 O CYS A 16 10.099 -6.779 -0.615 1.00 22.41 O ATOM 269 CB CYS A 16 8.088 -4.631 0.546 1.00 52.31 C ATOM 270 SG CYS A 16 6.983 -5.166 -0.781 1.00 53.04 S ATOM 0 H CYS A 16 8.857 -4.528 2.884 1.00 21.34 H new ATOM 0 HA CYS A 16 8.271 -6.667 1.206 1.00 3.31 H new ATOM 0 HB2 CYS A 16 7.499 -4.132 1.315 1.00 52.31 H new ATOM 0 HB3 CYS A 16 8.785 -3.893 0.149 1.00 52.31 H new ATOM 0 HG CYS A 16 7.509 -4.866 -1.931 1.00 53.04 H new ATOM 276 N SER A 17 11.258 -5.465 0.796 1.00 3.14 N ATOM 277 CA SER A 17 12.527 -5.650 0.102 1.00 71.05 C ATOM 278 C SER A 17 12.827 -7.133 -0.095 1.00 42.11 C ATOM 279 O SER A 17 13.480 -7.522 -1.062 1.00 62.03 O ATOM 280 CB SER A 17 13.663 -4.987 0.884 1.00 75.33 C ATOM 281 OG SER A 17 14.887 -5.673 0.685 1.00 74.10 O ATOM 0 H SER A 17 11.310 -4.859 1.615 1.00 3.14 H new ATOM 0 HA SER A 17 12.448 -5.180 -0.878 1.00 71.05 H new ATOM 0 HB2 SER A 17 13.769 -3.949 0.568 1.00 75.33 H new ATOM 0 HB3 SER A 17 13.418 -4.974 1.946 1.00 75.33 H new ATOM 0 HG SER A 17 15.597 -5.229 1.194 1.00 74.10 H new ATOM 287 N ASN A 18 12.345 -7.956 0.831 1.00 40.43 N ATOM 288 CA ASN A 18 12.562 -9.396 0.761 1.00 73.13 C ATOM 289 C ASN A 18 11.384 -10.091 0.085 1.00 71.25 C ATOM 290 O ASN A 18 10.980 -11.183 0.486 1.00 55.44 O ATOM 291 CB ASN A 18 12.770 -9.970 2.163 1.00 23.35 C ATOM 292 CG ASN A 18 14.076 -9.516 2.786 1.00 44.21 C ATOM 293 OD1 ASN A 18 15.148 -9.699 2.209 1.00 45.50 O ATOM 294 ND2 ASN A 18 13.992 -8.920 3.970 1.00 73.13 N ATOM 0 H ASN A 18 11.802 -7.650 1.638 1.00 40.43 H new ATOM 0 HA ASN A 18 13.457 -9.575 0.166 1.00 73.13 H new ATOM 0 HB2 ASN A 18 11.941 -9.668 2.803 1.00 23.35 H new ATOM 0 HB3 ASN A 18 12.754 -11.059 2.113 1.00 23.35 H new ATOM 0 HD21 ASN A 18 14.838 -8.593 4.438 1.00 73.13 H new ATOM 0 HD22 ASN A 18 13.082 -8.789 4.412 1.00 73.13 H new ATOM 301 N VAL A 19 10.837 -9.451 -0.945 1.00 25.34 N ATOM 302 CA VAL A 19 9.707 -10.008 -1.678 1.00 62.12 C ATOM 303 C VAL A 19 10.176 -10.783 -2.904 1.00 61.43 C ATOM 304 O VAL A 19 11.076 -10.346 -3.621 1.00 72.30 O ATOM 305 CB VAL A 19 8.730 -8.905 -2.125 1.00 53.20 C ATOM 306 CG1 VAL A 19 9.386 -7.993 -3.150 1.00 41.23 C ATOM 307 CG2 VAL A 19 7.454 -9.518 -2.684 1.00 4.35 C ATOM 0 H VAL A 19 11.159 -8.547 -1.290 1.00 25.34 H new ATOM 0 HA VAL A 19 9.192 -10.686 -0.998 1.00 62.12 H new ATOM 0 HB VAL A 19 8.466 -8.303 -1.255 1.00 53.20 H new ATOM 0 HG11 VAL A 19 8.680 -7.220 -3.454 1.00 41.23 H new ATOM 0 HG12 VAL A 19 10.268 -7.527 -2.711 1.00 41.23 H new ATOM 0 HG13 VAL A 19 9.681 -8.578 -4.021 1.00 41.23 H new ATOM 0 HG21 VAL A 19 6.775 -8.724 -2.995 1.00 4.35 H new ATOM 0 HG22 VAL A 19 7.697 -10.145 -3.542 1.00 4.35 H new ATOM 0 HG23 VAL A 19 6.975 -10.125 -1.916 1.00 4.35 H new ATOM 317 N ALA A 20 9.559 -11.937 -3.140 1.00 4.05 N ATOM 318 CA ALA A 20 9.912 -12.773 -4.281 1.00 13.34 C ATOM 319 C ALA A 20 8.744 -12.893 -5.254 1.00 44.44 C ATOM 320 O ALA A 20 7.581 -12.849 -4.853 1.00 62.34 O ATOM 321 CB ALA A 20 10.352 -14.151 -3.810 1.00 3.35 C ATOM 0 H ALA A 20 8.812 -12.314 -2.556 1.00 4.05 H new ATOM 0 HA ALA A 20 10.742 -12.299 -4.805 1.00 13.34 H new ATOM 0 HB1 ALA A 20 10.612 -14.764 -4.673 1.00 3.35 H new ATOM 0 HB2 ALA A 20 11.221 -14.053 -3.159 1.00 3.35 H new ATOM 0 HB3 ALA A 20 9.538 -14.625 -3.260 1.00 3.35 H new ATOM 327 N VAL A 21 9.062 -13.043 -6.536 1.00 41.14 N ATOM 328 CA VAL A 21 8.039 -13.170 -7.568 1.00 4.52 C ATOM 329 C VAL A 21 7.133 -14.366 -7.299 1.00 44.05 C ATOM 330 O VAL A 21 5.951 -14.351 -7.638 1.00 52.21 O ATOM 331 CB VAL A 21 8.668 -13.319 -8.966 1.00 52.30 C ATOM 332 CG1 VAL A 21 7.586 -13.454 -10.026 1.00 54.23 C ATOM 333 CG2 VAL A 21 9.578 -12.138 -9.269 1.00 63.32 C ATOM 0 H VAL A 21 10.020 -13.080 -6.885 1.00 41.14 H new ATOM 0 HA VAL A 21 7.446 -12.256 -7.541 1.00 4.52 H new ATOM 0 HB VAL A 21 9.272 -14.226 -8.979 1.00 52.30 H new ATOM 0 HG11 VAL A 21 8.049 -13.558 -11.007 1.00 54.23 H new ATOM 0 HG12 VAL A 21 6.979 -14.334 -9.816 1.00 54.23 H new ATOM 0 HG13 VAL A 21 6.954 -12.566 -10.016 1.00 54.23 H new ATOM 0 HG21 VAL A 21 10.014 -12.260 -10.261 1.00 63.32 H new ATOM 0 HG22 VAL A 21 8.999 -11.215 -9.238 1.00 63.32 H new ATOM 0 HG23 VAL A 21 10.374 -12.092 -8.526 1.00 63.32 H new ATOM 343 N GLY A 22 7.697 -15.403 -6.688 1.00 24.14 N ATOM 344 CA GLY A 22 6.926 -16.594 -6.383 1.00 60.14 C ATOM 345 C GLY A 22 7.553 -17.425 -5.282 1.00 30.24 C ATOM 346 O GLY A 22 8.626 -17.094 -4.778 1.00 43.40 O ATOM 0 H GLY A 22 8.674 -15.440 -6.399 1.00 24.14 H new ATOM 0 HA2 GLY A 22 5.918 -16.304 -6.086 1.00 60.14 H new ATOM 0 HA3 GLY A 22 6.831 -17.202 -7.283 1.00 60.14 H new ATOM 350 N VAL A 23 6.881 -18.508 -4.904 1.00 62.54 N ATOM 351 CA VAL A 23 7.379 -19.389 -3.855 1.00 33.55 C ATOM 352 C VAL A 23 8.464 -20.319 -4.385 1.00 44.35 C ATOM 353 O VAL A 23 9.353 -20.739 -3.646 1.00 33.25 O ATOM 354 CB VAL A 23 6.244 -20.237 -3.249 1.00 2.03 C ATOM 355 CG1 VAL A 23 6.745 -21.016 -2.042 1.00 63.34 C ATOM 356 CG2 VAL A 23 5.064 -19.355 -2.871 1.00 10.40 C ATOM 0 H VAL A 23 5.990 -18.796 -5.309 1.00 62.54 H new ATOM 0 HA VAL A 23 7.800 -18.749 -3.080 1.00 33.55 H new ATOM 0 HB VAL A 23 5.908 -20.952 -4.000 1.00 2.03 H new ATOM 0 HG11 VAL A 23 5.930 -21.609 -1.628 1.00 63.34 H new ATOM 0 HG12 VAL A 23 7.556 -21.677 -2.347 1.00 63.34 H new ATOM 0 HG13 VAL A 23 7.109 -20.321 -1.286 1.00 63.34 H new ATOM 0 HG21 VAL A 23 4.272 -19.970 -2.445 1.00 10.40 H new ATOM 0 HG22 VAL A 23 5.383 -18.615 -2.137 1.00 10.40 H new ATOM 0 HG23 VAL A 23 4.690 -18.847 -3.760 1.00 10.40 H new ATOM 435 N LYS A 29 13.523 -11.501 -6.882 1.00 53.54 N ATOM 436 CA LYS A 29 12.975 -10.614 -5.862 1.00 63.31 C ATOM 437 C LYS A 29 12.964 -9.168 -6.347 1.00 20.12 C ATOM 438 O LYS A 29 13.635 -8.824 -7.320 1.00 53.13 O ATOM 439 CB LYS A 29 13.790 -10.724 -4.571 1.00 60.43 C ATOM 440 CG LYS A 29 15.287 -10.579 -4.783 1.00 1.34 C ATOM 441 CD LYS A 29 16.029 -10.471 -3.461 1.00 31.21 C ATOM 442 CE LYS A 29 17.496 -10.128 -3.671 1.00 73.24 C ATOM 443 NZ LYS A 29 17.947 -9.039 -2.761 1.00 72.23 N ATOM 0 HA LYS A 29 11.948 -10.920 -5.664 1.00 63.31 H new ATOM 0 HB2 LYS A 29 13.454 -9.957 -3.873 1.00 60.43 H new ATOM 0 HB3 LYS A 29 13.589 -11.689 -4.105 1.00 60.43 H new ATOM 0 HG2 LYS A 29 15.661 -11.437 -5.342 1.00 1.34 H new ATOM 0 HG3 LYS A 29 15.486 -9.693 -5.387 1.00 1.34 H new ATOM 0 HD2 LYS A 29 15.561 -9.706 -2.841 1.00 31.21 H new ATOM 0 HD3 LYS A 29 15.949 -11.414 -2.919 1.00 31.21 H new ATOM 0 HE2 LYS A 29 18.104 -11.017 -3.503 1.00 73.24 H new ATOM 0 HE3 LYS A 29 17.653 -9.825 -4.706 1.00 73.24 H new ATOM 0 HZ1 LYS A 29 18.952 -8.835 -2.935 1.00 72.23 H new ATOM 0 HZ2 LYS A 29 17.384 -8.183 -2.938 1.00 72.23 H new ATOM 0 HZ3 LYS A 29 17.821 -9.338 -1.773 1.00 72.23 H new ATOM 457 N PHE A 30 12.199 -8.325 -5.661 1.00 4.10 N ATOM 458 CA PHE A 30 12.102 -6.915 -6.022 1.00 34.34 C ATOM 459 C PHE A 30 12.875 -6.046 -5.034 1.00 63.43 C ATOM 460 O PHE A 30 13.537 -6.554 -4.130 1.00 44.11 O ATOM 461 CB PHE A 30 10.636 -6.478 -6.063 1.00 71.23 C ATOM 462 CG PHE A 30 9.760 -7.395 -6.869 1.00 13.35 C ATOM 463 CD1 PHE A 30 10.164 -7.843 -8.116 1.00 3.42 C ATOM 464 CD2 PHE A 30 8.532 -7.809 -6.378 1.00 52.31 C ATOM 465 CE1 PHE A 30 9.360 -8.685 -8.859 1.00 34.20 C ATOM 466 CE2 PHE A 30 7.723 -8.652 -7.117 1.00 11.23 C ATOM 467 CZ PHE A 30 8.138 -9.091 -8.358 1.00 70.44 C ATOM 0 H PHE A 30 11.638 -8.593 -4.853 1.00 4.10 H new ATOM 0 HA PHE A 30 12.541 -6.788 -7.012 1.00 34.34 H new ATOM 0 HB2 PHE A 30 10.252 -6.424 -5.044 1.00 71.23 H new ATOM 0 HB3 PHE A 30 10.576 -5.472 -6.479 1.00 71.23 H new ATOM 0 HD1 PHE A 30 11.119 -7.530 -8.512 1.00 3.42 H new ATOM 0 HD2 PHE A 30 8.203 -7.469 -5.407 1.00 52.31 H new ATOM 0 HE1 PHE A 30 9.686 -9.026 -9.831 1.00 34.20 H new ATOM 0 HE2 PHE A 30 6.768 -8.967 -6.724 1.00 11.23 H new ATOM 0 HZ PHE A 30 7.509 -9.751 -8.937 1.00 70.44 H new ATOM 477 N GLY A 31 12.786 -4.732 -5.216 1.00 24.13 N ATOM 478 CA GLY A 31 13.483 -3.813 -4.335 1.00 11.03 C ATOM 479 C GLY A 31 12.800 -2.462 -4.249 1.00 62.31 C ATOM 480 O GLY A 31 11.672 -2.300 -4.712 1.00 33.31 O ATOM 0 H GLY A 31 12.244 -4.288 -5.957 1.00 24.13 H new ATOM 0 HA2 GLY A 31 13.547 -4.248 -3.338 1.00 11.03 H new ATOM 0 HA3 GLY A 31 14.505 -3.678 -4.690 1.00 11.03 H new ATOM 484 N GLU A 32 13.486 -1.491 -3.654 1.00 34.11 N ATOM 485 CA GLU A 32 12.936 -0.148 -3.507 1.00 70.43 C ATOM 486 C GLU A 32 12.583 0.447 -4.868 1.00 30.55 C ATOM 487 O GLU A 32 11.487 0.970 -5.063 1.00 2.55 O ATOM 488 CB GLU A 32 13.934 0.759 -2.785 1.00 11.11 C ATOM 489 CG GLU A 32 14.519 0.140 -1.527 1.00 4.11 C ATOM 490 CD GLU A 32 16.005 -0.137 -1.650 1.00 61.22 C ATOM 491 OE1 GLU A 32 16.797 0.826 -1.579 1.00 31.30 O ATOM 492 OE2 GLU A 32 16.376 -1.318 -1.818 1.00 33.12 O ATOM 0 H GLU A 32 14.422 -1.609 -3.266 1.00 34.11 H new ATOM 0 HA GLU A 32 12.025 -0.219 -2.913 1.00 70.43 H new ATOM 0 HB2 GLU A 32 14.746 1.008 -3.468 1.00 11.11 H new ATOM 0 HB3 GLU A 32 13.439 1.694 -2.523 1.00 11.11 H new ATOM 0 HG2 GLU A 32 14.346 0.808 -0.684 1.00 4.11 H new ATOM 0 HG3 GLU A 32 13.997 -0.791 -1.308 1.00 4.11 H new ATOM 499 N GLY A 33 13.521 0.362 -5.806 1.00 24.42 N ATOM 500 CA GLY A 33 13.291 0.896 -7.135 1.00 65.33 C ATOM 501 C GLY A 33 12.108 0.247 -7.824 1.00 74.43 C ATOM 502 O GLY A 33 11.461 0.860 -8.672 1.00 43.41 O ATOM 0 H GLY A 33 14.436 -0.067 -5.669 1.00 24.42 H new ATOM 0 HA2 GLY A 33 13.123 1.971 -7.067 1.00 65.33 H new ATOM 0 HA3 GLY A 33 14.185 0.751 -7.741 1.00 65.33 H new ATOM 506 N ASN A 34 11.824 -1.000 -7.460 1.00 54.23 N ATOM 507 CA ASN A 34 10.710 -1.734 -8.051 1.00 45.23 C ATOM 508 C ASN A 34 9.376 -1.211 -7.529 1.00 53.45 C ATOM 509 O ASN A 34 8.435 -1.003 -8.297 1.00 3.24 O ATOM 510 CB ASN A 34 10.839 -3.228 -7.748 1.00 2.11 C ATOM 511 CG ASN A 34 10.222 -4.093 -8.830 1.00 14.23 C ATOM 512 OD1 ASN A 34 10.925 -4.802 -9.550 1.00 14.12 O ATOM 513 ND2 ASN A 34 8.900 -4.037 -8.949 1.00 21.43 N ATOM 0 H ASN A 34 12.349 -1.523 -6.759 1.00 54.23 H new ATOM 0 HA ASN A 34 10.741 -1.585 -9.130 1.00 45.23 H new ATOM 0 HB2 ASN A 34 11.893 -3.484 -7.639 1.00 2.11 H new ATOM 0 HB3 ASN A 34 10.358 -3.445 -6.794 1.00 2.11 H new ATOM 0 HD21 ASN A 34 8.428 -4.596 -9.659 1.00 21.43 H new ATOM 0 HD22 ASN A 34 8.357 -3.435 -8.330 1.00 21.43 H new ATOM 520 N PHE A 35 9.301 -0.999 -6.220 1.00 34.24 N ATOM 521 CA PHE A 35 8.081 -0.501 -5.594 1.00 42.54 C ATOM 522 C PHE A 35 7.728 0.887 -6.122 1.00 74.21 C ATOM 523 O PHE A 35 6.616 1.117 -6.598 1.00 72.33 O ATOM 524 CB PHE A 35 8.245 -0.454 -4.074 1.00 11.32 C ATOM 525 CG PHE A 35 8.836 -1.707 -3.496 1.00 24.44 C ATOM 526 CD1 PHE A 35 8.381 -2.953 -3.896 1.00 55.04 C ATOM 527 CD2 PHE A 35 9.849 -1.640 -2.552 1.00 33.40 C ATOM 528 CE1 PHE A 35 8.923 -4.108 -3.365 1.00 74.03 C ATOM 529 CE2 PHE A 35 10.395 -2.792 -2.018 1.00 30.24 C ATOM 530 CZ PHE A 35 9.932 -4.028 -2.426 1.00 11.33 C ATOM 0 H PHE A 35 10.071 -1.164 -5.571 1.00 34.24 H new ATOM 0 HA PHE A 35 7.269 -1.184 -5.843 1.00 42.54 H new ATOM 0 HB2 PHE A 35 8.880 0.392 -3.811 1.00 11.32 H new ATOM 0 HB3 PHE A 35 7.272 -0.277 -3.617 1.00 11.32 H new ATOM 0 HD1 PHE A 35 7.593 -3.022 -4.632 1.00 55.04 H new ATOM 0 HD2 PHE A 35 10.216 -0.677 -2.230 1.00 33.40 H new ATOM 0 HE1 PHE A 35 8.557 -5.073 -3.684 1.00 74.03 H new ATOM 0 HE2 PHE A 35 11.183 -2.726 -1.282 1.00 30.24 H new ATOM 0 HZ PHE A 35 10.358 -4.930 -2.011 1.00 11.33 H new ATOM 540 N ARG A 36 8.681 1.808 -6.033 1.00 44.01 N ATOM 541 CA ARG A 36 8.471 3.173 -6.499 1.00 51.24 C ATOM 542 C ARG A 36 8.102 3.191 -7.980 1.00 44.21 C ATOM 543 O ARG A 36 7.205 3.923 -8.397 1.00 72.04 O ATOM 544 CB ARG A 36 9.727 4.014 -6.265 1.00 42.23 C ATOM 545 CG ARG A 36 10.977 3.433 -6.906 1.00 41.43 C ATOM 546 CD ARG A 36 11.273 4.091 -8.245 1.00 64.21 C ATOM 547 NE ARG A 36 12.250 5.169 -8.121 1.00 3.30 N ATOM 548 CZ ARG A 36 12.651 5.919 -9.142 1.00 14.44 C ATOM 549 NH1 ARG A 36 12.160 5.710 -10.355 1.00 60.54 N ATOM 550 NH2 ARG A 36 13.543 6.882 -8.949 1.00 42.21 N ATOM 0 H ARG A 36 9.607 1.634 -5.642 1.00 44.01 H new ATOM 0 HA ARG A 36 7.645 3.601 -5.931 1.00 51.24 H new ATOM 0 HB2 ARG A 36 9.561 5.017 -6.657 1.00 42.23 H new ATOM 0 HB3 ARG A 36 9.892 4.114 -5.192 1.00 42.23 H new ATOM 0 HG2 ARG A 36 11.827 3.568 -6.237 1.00 41.43 H new ATOM 0 HG3 ARG A 36 10.850 2.360 -7.047 1.00 41.43 H new ATOM 0 HD2 ARG A 36 11.647 3.341 -8.942 1.00 64.21 H new ATOM 0 HD3 ARG A 36 10.349 4.486 -8.667 1.00 64.21 H new ATOM 0 HE ARG A 36 12.646 5.357 -7.200 1.00 3.30 H new ATOM 0 HH11 ARG A 36 11.472 4.972 -10.507 1.00 60.54 H new ATOM 0 HH12 ARG A 36 12.470 6.287 -11.137 1.00 60.54 H new ATOM 0 HH21 ARG A 36 13.922 7.047 -8.016 1.00 42.21 H new ATOM 0 HH22 ARG A 36 13.850 7.457 -9.733 1.00 42.21 H new ATOM 564 N TRP A 37 8.801 2.382 -8.768 1.00 3.21 N ATOM 565 CA TRP A 37 8.548 2.306 -10.202 1.00 71.32 C ATOM 566 C TRP A 37 7.115 1.864 -10.479 1.00 62.30 C ATOM 567 O TRP A 37 6.446 2.410 -11.355 1.00 52.21 O ATOM 568 CB TRP A 37 9.530 1.338 -10.864 1.00 22.34 C ATOM 569 CG TRP A 37 9.222 1.072 -12.306 1.00 61.01 C ATOM 570 CD1 TRP A 37 9.756 1.710 -13.389 1.00 52.12 C ATOM 571 CD2 TRP A 37 8.307 0.099 -12.822 1.00 21.02 C ATOM 572 NE1 TRP A 37 9.228 1.192 -14.547 1.00 53.32 N ATOM 573 CE2 TRP A 37 8.337 0.202 -14.226 1.00 42.14 C ATOM 574 CE3 TRP A 37 7.467 -0.851 -12.234 1.00 41.42 C ATOM 575 CZ2 TRP A 37 7.559 -0.608 -15.049 1.00 14.23 C ATOM 576 CZ3 TRP A 37 6.695 -1.653 -13.052 1.00 33.53 C ATOM 577 CH2 TRP A 37 6.745 -1.529 -14.447 1.00 2.25 C ATOM 0 H TRP A 37 9.547 1.770 -8.438 1.00 3.21 H new ATOM 0 HA TRP A 37 8.690 3.301 -10.624 1.00 71.32 H new ATOM 0 HB2 TRP A 37 10.538 1.744 -10.784 1.00 22.34 H new ATOM 0 HB3 TRP A 37 9.522 0.394 -10.318 1.00 22.34 H new ATOM 0 HD1 TRP A 37 10.486 2.505 -13.342 1.00 52.12 H new ATOM 0 HE1 TRP A 37 9.462 1.495 -15.492 1.00 53.32 H new ATOM 0 HE3 TRP A 37 7.422 -0.956 -11.160 1.00 41.42 H new ATOM 0 HZ2 TRP A 37 7.597 -0.513 -16.124 1.00 14.23 H new ATOM 0 HZ3 TRP A 37 6.041 -2.389 -12.608 1.00 33.53 H new ATOM 0 HH2 TRP A 37 6.130 -2.172 -15.059 1.00 2.25 H new ATOM 588 N ALA A 38 6.651 0.872 -9.727 1.00 33.53 N ATOM 589 CA ALA A 38 5.296 0.358 -9.890 1.00 43.33 C ATOM 590 C ALA A 38 4.265 1.359 -9.380 1.00 32.55 C ATOM 591 O ALA A 38 3.372 1.775 -10.118 1.00 41.42 O ATOM 592 CB ALA A 38 5.146 -0.973 -9.169 1.00 54.02 C ATOM 0 H ALA A 38 7.193 0.408 -8.998 1.00 33.53 H new ATOM 0 HA ALA A 38 5.117 0.203 -10.954 1.00 43.33 H new ATOM 0 HB1 ALA A 38 4.130 -1.345 -9.299 1.00 54.02 H new ATOM 0 HB2 ALA A 38 5.852 -1.693 -9.584 1.00 54.02 H new ATOM 0 HB3 ALA A 38 5.349 -0.836 -8.107 1.00 54.02 H new ATOM 598 N ILE A 39 4.393 1.739 -8.113 1.00 31.32 N ATOM 599 CA ILE A 39 3.472 2.690 -7.504 1.00 54.34 C ATOM 600 C ILE A 39 3.342 3.950 -8.354 1.00 75.23 C ATOM 601 O ILE A 39 2.242 4.324 -8.763 1.00 43.21 O ATOM 602 CB ILE A 39 3.925 3.086 -6.087 1.00 25.21 C ATOM 603 CG1 ILE A 39 4.031 1.846 -5.197 1.00 63.41 C ATOM 604 CG2 ILE A 39 2.961 4.096 -5.484 1.00 75.03 C ATOM 605 CD1 ILE A 39 4.876 2.059 -3.961 1.00 2.23 C ATOM 0 H ILE A 39 5.126 1.403 -7.488 1.00 31.32 H new ATOM 0 HA ILE A 39 2.503 2.194 -7.441 1.00 54.34 H new ATOM 0 HB ILE A 39 4.910 3.549 -6.153 1.00 25.21 H new ATOM 0 HG12 ILE A 39 3.030 1.540 -4.894 1.00 63.41 H new ATOM 0 HG13 ILE A 39 4.453 1.026 -5.779 1.00 63.41 H new ATOM 0 HG21 ILE A 39 3.296 4.365 -4.482 1.00 75.03 H new ATOM 0 HG22 ILE A 39 2.931 4.989 -6.109 1.00 75.03 H new ATOM 0 HG23 ILE A 39 1.964 3.659 -5.428 1.00 75.03 H new ATOM 0 HD11 ILE A 39 4.906 1.139 -3.378 1.00 2.23 H new ATOM 0 HD12 ILE A 39 5.888 2.336 -4.256 1.00 2.23 H new ATOM 0 HD13 ILE A 39 4.443 2.857 -3.357 1.00 2.23 H new ATOM 617 N ARG A 40 4.471 4.598 -8.618 1.00 2.30 N ATOM 618 CA ARG A 40 4.484 5.816 -9.420 1.00 72.31 C ATOM 619 C ARG A 40 3.797 5.589 -10.764 1.00 21.43 C ATOM 620 O ARG A 40 2.926 6.360 -11.165 1.00 2.02 O ATOM 621 CB ARG A 40 5.921 6.290 -9.644 1.00 21.35 C ATOM 622 CG ARG A 40 6.585 6.832 -8.389 1.00 5.32 C ATOM 623 CD ARG A 40 6.838 8.328 -8.495 1.00 3.12 C ATOM 624 NE ARG A 40 7.583 8.840 -7.347 1.00 73.02 N ATOM 625 CZ ARG A 40 7.032 9.084 -6.163 1.00 72.43 C ATOM 626 NH1 ARG A 40 5.739 8.863 -5.972 1.00 75.31 N ATOM 627 NH2 ARG A 40 7.775 9.549 -5.167 1.00 61.24 N ATOM 0 H ARG A 40 5.389 4.300 -8.288 1.00 2.30 H new ATOM 0 HA ARG A 40 3.936 6.585 -8.876 1.00 72.31 H new ATOM 0 HB2 ARG A 40 6.513 5.459 -10.029 1.00 21.35 H new ATOM 0 HB3 ARG A 40 5.924 7.065 -10.410 1.00 21.35 H new ATOM 0 HG2 ARG A 40 5.953 6.629 -7.525 1.00 5.32 H new ATOM 0 HG3 ARG A 40 7.529 6.313 -8.222 1.00 5.32 H new ATOM 0 HD2 ARG A 40 7.392 8.538 -9.410 1.00 3.12 H new ATOM 0 HD3 ARG A 40 5.885 8.852 -8.572 1.00 3.12 H new ATOM 0 HE ARG A 40 8.581 9.020 -7.461 1.00 73.02 H new ATOM 0 HH11 ARG A 40 5.165 8.505 -6.735 1.00 75.31 H new ATOM 0 HH12 ARG A 40 5.318 9.051 -5.062 1.00 75.31 H new ATOM 0 HH21 ARG A 40 8.770 9.720 -5.310 1.00 61.24 H new ATOM 0 HH22 ARG A 40 7.351 9.736 -4.258 1.00 61.24 H new ATOM 641 N MET A 41 4.196 4.525 -11.454 1.00 41.41 N ATOM 642 CA MET A 41 3.618 4.197 -12.752 1.00 64.22 C ATOM 643 C MET A 41 2.096 4.152 -12.674 1.00 14.30 C ATOM 644 O MET A 41 1.405 4.500 -13.632 1.00 24.43 O ATOM 645 CB MET A 41 4.155 2.852 -13.247 1.00 52.45 C ATOM 646 CG MET A 41 3.612 2.446 -14.608 1.00 23.41 C ATOM 647 SD MET A 41 4.841 1.601 -15.621 1.00 63.15 S ATOM 648 CE MET A 41 5.288 2.903 -16.767 1.00 4.20 C ATOM 0 H MET A 41 4.916 3.876 -11.136 1.00 41.41 H new ATOM 0 HA MET A 41 3.905 4.977 -13.457 1.00 64.22 H new ATOM 0 HB2 MET A 41 5.243 2.901 -13.298 1.00 52.45 H new ATOM 0 HB3 MET A 41 3.905 2.080 -12.520 1.00 52.45 H new ATOM 0 HG2 MET A 41 2.749 1.794 -14.471 1.00 23.41 H new ATOM 0 HG3 MET A 41 3.261 3.333 -15.134 1.00 23.41 H new ATOM 0 HE1 MET A 41 6.043 2.533 -17.461 1.00 4.20 H new ATOM 0 HE2 MET A 41 4.405 3.216 -17.324 1.00 4.20 H new ATOM 0 HE3 MET A 41 5.689 3.753 -16.214 1.00 4.20 H new ATOM 658 N ALA A 42 1.579 3.723 -11.528 1.00 33.55 N ATOM 659 CA ALA A 42 0.138 3.635 -11.325 1.00 20.54 C ATOM 660 C ALA A 42 -0.447 4.991 -10.948 1.00 12.32 C ATOM 661 O ALA A 42 -1.498 5.386 -11.452 1.00 4.20 O ATOM 662 CB ALA A 42 -0.182 2.603 -10.252 1.00 41.44 C ATOM 0 H ALA A 42 2.137 3.431 -10.725 1.00 33.55 H new ATOM 0 HA ALA A 42 -0.318 3.320 -12.264 1.00 20.54 H new ATOM 0 HB1 ALA A 42 -1.261 2.548 -10.111 1.00 41.44 H new ATOM 0 HB2 ALA A 42 0.194 1.628 -10.562 1.00 41.44 H new ATOM 0 HB3 ALA A 42 0.292 2.894 -9.315 1.00 41.44 H new ATOM 668 N ASN A 43 0.240 5.700 -10.058 1.00 15.33 N ATOM 669 CA ASN A 43 -0.214 7.013 -9.612 1.00 44.05 C ATOM 670 C ASN A 43 -0.376 7.963 -10.796 1.00 31.45 C ATOM 671 O ASN A 43 -1.125 8.937 -10.725 1.00 75.22 O ATOM 672 CB ASN A 43 0.775 7.602 -8.604 1.00 33.43 C ATOM 673 CG ASN A 43 0.118 8.590 -7.660 1.00 52.40 C ATOM 674 OD1 ASN A 43 -1.108 8.668 -7.580 1.00 13.22 O ATOM 675 ND2 ASN A 43 0.933 9.352 -6.940 1.00 41.21 N ATOM 0 H ASN A 43 1.112 5.388 -9.632 1.00 15.33 H new ATOM 0 HA ASN A 43 -1.184 6.891 -9.131 1.00 44.05 H new ATOM 0 HB2 ASN A 43 1.224 6.795 -8.026 1.00 33.43 H new ATOM 0 HB3 ASN A 43 1.584 8.099 -9.140 1.00 33.43 H new ATOM 0 HD21 ASN A 43 0.549 10.036 -6.288 1.00 41.21 H new ATOM 0 HD22 ASN A 43 1.943 9.253 -7.039 1.00 41.21 H new ATOM 682 N VAL A 44 0.331 7.671 -11.883 1.00 10.13 N ATOM 683 CA VAL A 44 0.264 8.497 -13.082 1.00 44.33 C ATOM 684 C VAL A 44 -0.745 7.939 -14.079 1.00 21.41 C ATOM 685 O VAL A 44 -1.756 8.574 -14.377 1.00 0.53 O ATOM 686 CB VAL A 44 1.640 8.605 -13.767 1.00 31.31 C ATOM 687 CG1 VAL A 44 1.545 9.452 -15.026 1.00 50.43 C ATOM 688 CG2 VAL A 44 2.670 9.177 -12.805 1.00 51.51 C ATOM 0 H VAL A 44 0.957 6.869 -11.958 1.00 10.13 H new ATOM 0 HA VAL A 44 -0.055 9.490 -12.764 1.00 44.33 H new ATOM 0 HB VAL A 44 1.963 7.605 -14.056 1.00 31.31 H new ATOM 0 HG11 VAL A 44 2.526 9.517 -15.496 1.00 50.43 H new ATOM 0 HG12 VAL A 44 0.840 8.994 -15.720 1.00 50.43 H new ATOM 0 HG13 VAL A 44 1.200 10.453 -14.766 1.00 50.43 H new ATOM 0 HG21 VAL A 44 3.636 9.246 -13.305 1.00 51.51 H new ATOM 0 HG22 VAL A 44 2.356 10.170 -12.484 1.00 51.51 H new ATOM 0 HG23 VAL A 44 2.758 8.525 -11.936 1.00 51.51 H new ATOM 698 N SER A 45 -0.464 6.745 -14.591 1.00 63.24 N ATOM 699 CA SER A 45 -1.346 6.101 -15.558 1.00 25.11 C ATOM 700 C SER A 45 -2.783 6.074 -15.048 1.00 31.33 C ATOM 701 O SER A 45 -3.731 6.239 -15.816 1.00 51.52 O ATOM 702 CB SER A 45 -0.868 4.676 -15.846 1.00 44.41 C ATOM 703 OG SER A 45 0.172 4.672 -16.810 1.00 15.25 O ATOM 0 H SER A 45 0.367 6.204 -14.353 1.00 63.24 H new ATOM 0 HA SER A 45 -1.317 6.680 -16.481 1.00 25.11 H new ATOM 0 HB2 SER A 45 -0.515 4.214 -14.924 1.00 44.41 H new ATOM 0 HB3 SER A 45 -1.703 4.074 -16.205 1.00 44.41 H new ATOM 0 HG SER A 45 0.461 3.750 -16.975 1.00 15.25 H new ATOM 709 N THR A 46 -2.938 5.863 -13.744 1.00 71.02 N ATOM 710 CA THR A 46 -4.259 5.812 -13.130 1.00 4.52 C ATOM 711 C THR A 46 -4.383 6.838 -12.009 1.00 53.31 C ATOM 712 O THR A 46 -4.846 6.522 -10.914 1.00 12.51 O ATOM 713 CB THR A 46 -4.562 4.412 -12.565 1.00 11.15 C ATOM 714 OG1 THR A 46 -3.800 4.189 -11.373 1.00 65.23 O ATOM 715 CG2 THR A 46 -4.240 3.334 -13.588 1.00 72.13 C ATOM 0 H THR A 46 -2.165 5.725 -13.093 1.00 71.02 H new ATOM 0 HA THR A 46 -4.981 6.043 -13.913 1.00 4.52 H new ATOM 0 HB THR A 46 -5.625 4.362 -12.331 1.00 11.15 H new ATOM 0 HG1 THR A 46 -2.961 4.693 -11.422 1.00 65.23 H new ATOM 0 HG21 THR A 46 -4.462 2.354 -13.166 1.00 72.13 H new ATOM 0 HG22 THR A 46 -4.843 3.489 -14.482 1.00 72.13 H new ATOM 0 HG23 THR A 46 -3.183 3.385 -13.850 1.00 72.13 H new ATOM 850 N THR A 56 -4.047 5.520 1.879 1.00 65.11 N ATOM 851 CA THR A 56 -5.411 5.101 2.174 1.00 23.53 C ATOM 852 C THR A 56 -5.783 3.848 1.389 1.00 51.20 C ATOM 853 O THR A 56 -5.681 3.819 0.162 1.00 55.43 O ATOM 854 CB THR A 56 -6.423 6.215 1.852 1.00 55.35 C ATOM 855 OG1 THR A 56 -6.572 6.347 0.433 1.00 23.14 O ATOM 856 CG2 THR A 56 -5.975 7.542 2.445 1.00 40.30 C ATOM 0 HA THR A 56 -5.451 4.883 3.241 1.00 23.53 H new ATOM 0 HB THR A 56 -7.381 5.943 2.294 1.00 55.35 H new ATOM 0 HG1 THR A 56 -7.423 6.789 0.233 1.00 23.14 H new ATOM 0 HG21 THR A 56 -6.706 8.314 2.204 1.00 40.30 H new ATOM 0 HG22 THR A 56 -5.891 7.447 3.528 1.00 40.30 H new ATOM 0 HG23 THR A 56 -5.006 7.818 2.029 1.00 40.30 H new ATOM 864 N LEU A 57 -6.215 2.815 2.103 1.00 74.31 N ATOM 865 CA LEU A 57 -6.604 1.558 1.472 1.00 15.20 C ATOM 866 C LEU A 57 -7.616 1.799 0.356 1.00 11.52 C ATOM 867 O LEU A 57 -7.632 1.084 -0.646 1.00 15.23 O ATOM 868 CB LEU A 57 -7.193 0.603 2.512 1.00 12.41 C ATOM 869 CG LEU A 57 -6.190 -0.277 3.259 1.00 75.14 C ATOM 870 CD1 LEU A 57 -5.506 -1.238 2.299 1.00 42.21 C ATOM 871 CD2 LEU A 57 -5.162 0.581 3.982 1.00 73.44 C ATOM 0 H LEU A 57 -6.305 2.822 3.119 1.00 74.31 H new ATOM 0 HA LEU A 57 -5.712 1.107 1.038 1.00 15.20 H new ATOM 0 HB2 LEU A 57 -7.746 1.191 3.244 1.00 12.41 H new ATOM 0 HB3 LEU A 57 -7.914 -0.045 2.014 1.00 12.41 H new ATOM 0 HG LEU A 57 -6.731 -0.862 4.002 1.00 75.14 H new ATOM 0 HD11 LEU A 57 -4.796 -1.856 2.848 1.00 42.21 H new ATOM 0 HD12 LEU A 57 -6.254 -1.876 1.828 1.00 42.21 H new ATOM 0 HD13 LEU A 57 -4.977 -0.672 1.532 1.00 42.21 H new ATOM 0 HD21 LEU A 57 -4.457 -0.062 4.508 1.00 73.44 H new ATOM 0 HD22 LEU A 57 -4.625 1.193 3.258 1.00 73.44 H new ATOM 0 HD23 LEU A 57 -5.668 1.228 4.699 1.00 73.44 H new ATOM 883 N ASP A 58 -8.457 2.812 0.536 1.00 44.43 N ATOM 884 CA ASP A 58 -9.470 3.151 -0.457 1.00 65.44 C ATOM 885 C ASP A 58 -8.821 3.598 -1.764 1.00 15.11 C ATOM 886 O ASP A 58 -9.144 3.085 -2.835 1.00 31.43 O ATOM 887 CB ASP A 58 -10.388 4.252 0.074 1.00 1.13 C ATOM 888 CG ASP A 58 -11.607 3.697 0.785 1.00 63.14 C ATOM 889 OD1 ASP A 58 -11.448 2.753 1.587 1.00 63.55 O ATOM 890 OD2 ASP A 58 -12.720 4.207 0.539 1.00 5.34 O ATOM 0 H ASP A 58 -8.457 3.413 1.360 1.00 44.43 H new ATOM 0 HA ASP A 58 -10.064 2.258 -0.653 1.00 65.44 H new ATOM 0 HB2 ASP A 58 -9.829 4.888 0.760 1.00 1.13 H new ATOM 0 HB3 ASP A 58 -10.710 4.883 -0.754 1.00 1.13 H new ATOM 895 N GLN A 59 -7.908 4.558 -1.667 1.00 3.32 N ATOM 896 CA GLN A 59 -7.216 5.076 -2.842 1.00 32.34 C ATOM 897 C GLN A 59 -6.364 3.991 -3.493 1.00 54.45 C ATOM 898 O GLN A 59 -6.520 3.694 -4.679 1.00 22.34 O ATOM 899 CB GLN A 59 -6.339 6.269 -2.459 1.00 22.32 C ATOM 900 CG GLN A 59 -5.813 7.046 -3.655 1.00 32.01 C ATOM 901 CD GLN A 59 -6.901 7.382 -4.656 1.00 2.41 C ATOM 902 OE1 GLN A 59 -8.057 7.590 -4.287 1.00 72.34 O ATOM 903 NE2 GLN A 59 -6.535 7.439 -5.931 1.00 71.33 N ATOM 0 H GLN A 59 -7.630 4.993 -0.787 1.00 3.32 H new ATOM 0 HA GLN A 59 -7.967 5.403 -3.561 1.00 32.34 H new ATOM 0 HB2 GLN A 59 -6.914 6.942 -1.823 1.00 22.32 H new ATOM 0 HB3 GLN A 59 -5.495 5.914 -1.867 1.00 22.32 H new ATOM 0 HG2 GLN A 59 -5.346 7.968 -3.308 1.00 32.01 H new ATOM 0 HG3 GLN A 59 -5.037 6.462 -4.150 1.00 32.01 H new ATOM 0 HE21 GLN A 59 -5.565 7.259 -6.192 1.00 71.33 H new ATOM 0 HE22 GLN A 59 -7.223 7.662 -6.650 1.00 71.33 H new ATOM 912 N LEU A 60 -5.464 3.404 -2.713 1.00 12.22 N ATOM 913 CA LEU A 60 -4.587 2.352 -3.214 1.00 44.21 C ATOM 914 C LEU A 60 -5.391 1.253 -3.901 1.00 12.14 C ATOM 915 O LEU A 60 -4.971 0.708 -4.921 1.00 62.22 O ATOM 916 CB LEU A 60 -3.764 1.758 -2.069 1.00 40.52 C ATOM 917 CG LEU A 60 -2.553 0.920 -2.478 1.00 25.21 C ATOM 918 CD1 LEU A 60 -1.363 1.815 -2.788 1.00 53.53 C ATOM 919 CD2 LEU A 60 -2.200 -0.077 -1.383 1.00 74.25 C ATOM 0 H LEU A 60 -5.322 3.639 -1.731 1.00 12.22 H new ATOM 0 HA LEU A 60 -3.912 2.795 -3.947 1.00 44.21 H new ATOM 0 HB2 LEU A 60 -3.418 2.574 -1.435 1.00 40.52 H new ATOM 0 HB3 LEU A 60 -4.421 1.137 -1.460 1.00 40.52 H new ATOM 0 HG LEU A 60 -2.809 0.365 -3.380 1.00 25.21 H new ATOM 0 HD11 LEU A 60 -0.511 1.200 -3.077 1.00 53.53 H new ATOM 0 HD12 LEU A 60 -1.618 2.489 -3.606 1.00 53.53 H new ATOM 0 HD13 LEU A 60 -1.106 2.398 -1.904 1.00 53.53 H new ATOM 0 HD21 LEU A 60 -1.336 -0.665 -1.691 1.00 74.25 H new ATOM 0 HD22 LEU A 60 -1.965 0.460 -0.464 1.00 74.25 H new ATOM 0 HD23 LEU A 60 -3.047 -0.741 -1.209 1.00 74.25 H new ATOM 931 N ARG A 61 -6.551 0.934 -3.335 1.00 3.42 N ATOM 932 CA ARG A 61 -7.415 -0.099 -3.893 1.00 42.30 C ATOM 933 C ARG A 61 -7.906 0.296 -5.283 1.00 25.50 C ATOM 934 O ARG A 61 -7.896 -0.516 -6.210 1.00 4.31 O ATOM 935 CB ARG A 61 -8.609 -0.348 -2.970 1.00 53.23 C ATOM 936 CG ARG A 61 -9.600 -1.362 -3.517 1.00 54.05 C ATOM 937 CD ARG A 61 -10.378 -2.040 -2.400 1.00 65.21 C ATOM 938 NE ARG A 61 -11.765 -2.298 -2.777 1.00 23.43 N ATOM 939 CZ ARG A 61 -12.712 -2.635 -1.908 1.00 3.40 C ATOM 940 NH1 ARG A 61 -12.422 -2.752 -0.619 1.00 75.14 N ATOM 941 NH2 ARG A 61 -13.951 -2.853 -2.328 1.00 34.54 N ATOM 0 H ARG A 61 -6.914 1.376 -2.490 1.00 3.42 H new ATOM 0 HA ARG A 61 -6.834 -1.017 -3.979 1.00 42.30 H new ATOM 0 HB2 ARG A 61 -8.244 -0.694 -2.003 1.00 53.23 H new ATOM 0 HB3 ARG A 61 -9.126 0.596 -2.796 1.00 53.23 H new ATOM 0 HG2 ARG A 61 -10.294 -0.865 -4.195 1.00 54.05 H new ATOM 0 HG3 ARG A 61 -9.068 -2.114 -4.100 1.00 54.05 H new ATOM 0 HD2 ARG A 61 -9.892 -2.980 -2.139 1.00 65.21 H new ATOM 0 HD3 ARG A 61 -10.355 -1.412 -1.509 1.00 65.21 H new ATOM 0 HE ARG A 61 -12.021 -2.215 -3.761 1.00 23.43 H new ATOM 0 HH11 ARG A 61 -11.470 -2.583 -0.293 1.00 75.14 H new ATOM 0 HH12 ARG A 61 -13.151 -3.011 0.046 1.00 75.14 H new ATOM 0 HH21 ARG A 61 -14.177 -2.762 -3.318 1.00 34.54 H new ATOM 0 HH22 ARG A 61 -14.678 -3.112 -1.661 1.00 34.54 H new ATOM 955 N LEU A 62 -8.335 1.545 -5.421 1.00 1.14 N ATOM 956 CA LEU A 62 -8.830 2.048 -6.697 1.00 73.44 C ATOM 957 C LEU A 62 -7.710 2.108 -7.731 1.00 21.23 C ATOM 958 O LEU A 62 -7.961 2.085 -8.936 1.00 5.52 O ATOM 959 CB LEU A 62 -9.448 3.435 -6.517 1.00 0.33 C ATOM 960 CG LEU A 62 -10.976 3.492 -6.495 1.00 1.22 C ATOM 961 CD1 LEU A 62 -11.545 3.075 -7.842 1.00 21.31 C ATOM 962 CD2 LEU A 62 -11.527 2.610 -5.384 1.00 64.53 C ATOM 0 H LEU A 62 -8.350 2.229 -4.664 1.00 1.14 H new ATOM 0 HA LEU A 62 -9.595 1.360 -7.057 1.00 73.44 H new ATOM 0 HB2 LEU A 62 -9.075 3.858 -5.584 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -9.092 4.077 -7.323 1.00 0.33 H new ATOM 0 HG LEU A 62 -11.279 4.520 -6.299 1.00 1.22 H new ATOM 0 HD11 LEU A 62 -12.633 3.122 -7.807 1.00 21.31 H new ATOM 0 HD12 LEU A 62 -11.177 3.748 -8.616 1.00 21.31 H new ATOM 0 HD13 LEU A 62 -11.233 2.056 -8.069 1.00 21.31 H new ATOM 0 HD21 LEU A 62 -12.616 2.663 -5.383 1.00 64.53 H new ATOM 0 HD22 LEU A 62 -11.214 1.579 -5.549 1.00 64.53 H new ATOM 0 HD23 LEU A 62 -11.146 2.955 -4.423 1.00 64.53 H new ATOM 974 N VAL A 63 -6.472 2.182 -7.251 1.00 15.23 N ATOM 975 CA VAL A 63 -5.313 2.242 -8.132 1.00 62.03 C ATOM 976 C VAL A 63 -5.055 0.893 -8.794 1.00 74.11 C ATOM 977 O VAL A 63 -5.097 0.773 -10.019 1.00 10.11 O ATOM 978 CB VAL A 63 -4.048 2.676 -7.368 1.00 32.14 C ATOM 979 CG1 VAL A 63 -2.863 2.786 -8.315 1.00 1.25 C ATOM 980 CG2 VAL A 63 -4.288 3.993 -6.645 1.00 55.04 C ATOM 0 H VAL A 63 -6.247 2.202 -6.256 1.00 15.23 H new ATOM 0 HA VAL A 63 -5.538 2.983 -8.899 1.00 62.03 H new ATOM 0 HB VAL A 63 -3.816 1.916 -6.622 1.00 32.14 H new ATOM 0 HG11 VAL A 63 -1.979 3.094 -7.757 1.00 1.25 H new ATOM 0 HG12 VAL A 63 -2.679 1.818 -8.782 1.00 1.25 H new ATOM 0 HG13 VAL A 63 -3.081 3.525 -9.086 1.00 1.25 H new ATOM 0 HG21 VAL A 63 -3.384 4.285 -6.110 1.00 55.04 H new ATOM 0 HG22 VAL A 63 -4.545 4.765 -7.370 1.00 55.04 H new ATOM 0 HG23 VAL A 63 -5.107 3.875 -5.935 1.00 55.04 H new ATOM 990 N ILE A 64 -4.790 -0.120 -7.976 1.00 60.02 N ATOM 991 CA ILE A 64 -4.527 -1.461 -8.482 1.00 75.44 C ATOM 992 C ILE A 64 -5.640 -1.924 -9.418 1.00 2.54 C ATOM 993 O ILE A 64 -5.381 -2.557 -10.442 1.00 4.23 O ATOM 994 CB ILE A 64 -4.382 -2.478 -7.335 1.00 1.15 C ATOM 995 CG1 ILE A 64 -4.180 -3.887 -7.895 1.00 21.32 C ATOM 996 CG2 ILE A 64 -5.603 -2.432 -6.428 1.00 72.15 C ATOM 997 CD1 ILE A 64 -3.447 -4.814 -6.950 1.00 1.30 C ATOM 0 H ILE A 64 -4.752 -0.037 -6.960 1.00 60.02 H new ATOM 0 HA ILE A 64 -3.588 -1.411 -9.033 1.00 75.44 H new ATOM 0 HB ILE A 64 -3.505 -2.214 -6.744 1.00 1.15 H new ATOM 0 HG12 ILE A 64 -5.153 -4.318 -8.132 1.00 21.32 H new ATOM 0 HG13 ILE A 64 -3.624 -3.821 -8.830 1.00 21.32 H new ATOM 0 HG21 ILE A 64 -5.485 -3.157 -5.622 1.00 72.15 H new ATOM 0 HG22 ILE A 64 -5.705 -1.433 -6.005 1.00 72.15 H new ATOM 0 HG23 ILE A 64 -6.495 -2.674 -7.006 1.00 72.15 H new ATOM 0 HD11 ILE A 64 -3.340 -5.795 -7.413 1.00 1.30 H new ATOM 0 HD12 ILE A 64 -2.460 -4.406 -6.732 1.00 1.30 H new ATOM 0 HD13 ILE A 64 -4.012 -4.910 -6.023 1.00 1.30 H new ATOM 1009 N CYS A 65 -6.878 -1.601 -9.060 1.00 23.42 N ATOM 1010 CA CYS A 65 -8.031 -1.983 -9.868 1.00 2.53 C ATOM 1011 C CYS A 65 -8.018 -1.258 -11.210 1.00 2.13 C ATOM 1012 O CYS A 65 -8.028 -1.888 -12.267 1.00 71.41 O ATOM 1013 CB CYS A 65 -9.328 -1.673 -9.120 1.00 15.02 C ATOM 1014 SG CYS A 65 -10.164 -3.133 -8.455 1.00 44.53 S ATOM 0 H CYS A 65 -7.109 -1.076 -8.216 1.00 23.42 H new ATOM 0 HA CYS A 65 -7.975 -3.055 -10.054 1.00 2.53 H new ATOM 0 HB2 CYS A 65 -9.108 -0.989 -8.300 1.00 15.02 H new ATOM 0 HB3 CYS A 65 -10.009 -1.154 -9.795 1.00 15.02 H new ATOM 0 HG CYS A 65 -11.249 -2.769 -7.838 1.00 44.53 H new ATOM 1020 N ASP A 66 -7.997 0.069 -11.159 1.00 43.41 N ATOM 1021 CA ASP A 66 -7.983 0.881 -12.371 1.00 31.41 C ATOM 1022 C ASP A 66 -6.804 0.505 -13.263 1.00 73.43 C ATOM 1023 O ASP A 66 -6.913 0.512 -14.490 1.00 54.22 O ATOM 1024 CB ASP A 66 -7.916 2.366 -12.015 1.00 4.52 C ATOM 1025 CG ASP A 66 -8.315 3.258 -13.174 1.00 44.40 C ATOM 1026 OD1 ASP A 66 -8.748 2.720 -14.214 1.00 52.40 O ATOM 1027 OD2 ASP A 66 -8.192 4.494 -13.042 1.00 14.34 O ATOM 0 H ASP A 66 -7.989 0.606 -10.292 1.00 43.41 H new ATOM 0 HA ASP A 66 -8.906 0.688 -12.918 1.00 31.41 H new ATOM 0 HB2 ASP A 66 -8.571 2.563 -11.166 1.00 4.52 H new ATOM 0 HB3 ASP A 66 -6.903 2.616 -11.700 1.00 4.52 H new ATOM 1032 N LEU A 67 -5.678 0.177 -12.640 1.00 1.22 N ATOM 1033 CA LEU A 67 -4.477 -0.201 -13.377 1.00 53.13 C ATOM 1034 C LEU A 67 -4.630 -1.589 -13.990 1.00 64.25 C ATOM 1035 O LEU A 67 -4.596 -1.746 -15.211 1.00 3.33 O ATOM 1036 CB LEU A 67 -3.257 -0.169 -12.455 1.00 73.30 C ATOM 1037 CG LEU A 67 -1.987 -0.824 -13.000 1.00 11.54 C ATOM 1038 CD1 LEU A 67 -0.830 0.163 -12.984 1.00 41.03 C ATOM 1039 CD2 LEU A 67 -1.641 -2.067 -12.194 1.00 64.45 C ATOM 0 H LEU A 67 -5.571 0.165 -11.626 1.00 1.22 H new ATOM 0 HA LEU A 67 -4.333 0.518 -14.183 1.00 53.13 H new ATOM 0 HB2 LEU A 67 -3.033 0.871 -12.218 1.00 73.30 H new ATOM 0 HB3 LEU A 67 -3.522 -0.659 -11.518 1.00 73.30 H new ATOM 0 HG LEU A 67 -2.169 -1.124 -14.032 1.00 11.54 H new ATOM 0 HD11 LEU A 67 0.066 -0.320 -13.375 1.00 41.03 H new ATOM 0 HD12 LEU A 67 -1.078 1.024 -13.604 1.00 41.03 H new ATOM 0 HD13 LEU A 67 -0.647 0.493 -11.961 1.00 41.03 H new ATOM 0 HD21 LEU A 67 -0.735 -2.520 -12.596 1.00 64.45 H new ATOM 0 HD22 LEU A 67 -1.478 -1.791 -11.152 1.00 64.45 H new ATOM 0 HD23 LEU A 67 -2.462 -2.781 -12.256 1.00 64.45 H new ATOM 1051 N GLN A 68 -4.799 -2.593 -13.136 1.00 13.34 N ATOM 1052 CA GLN A 68 -4.958 -3.968 -13.594 1.00 55.43 C ATOM 1053 C GLN A 68 -6.084 -4.073 -14.618 1.00 33.23 C ATOM 1054 O GLN A 68 -6.063 -4.941 -15.490 1.00 3.20 O ATOM 1055 CB GLN A 68 -5.242 -4.893 -12.410 1.00 25.23 C ATOM 1056 CG GLN A 68 -5.477 -6.340 -12.811 1.00 74.31 C ATOM 1057 CD GLN A 68 -5.862 -7.217 -11.636 1.00 13.34 C ATOM 1058 OE1 GLN A 68 -5.111 -7.343 -10.668 1.00 40.12 O ATOM 1059 NE2 GLN A 68 -7.039 -7.828 -11.713 1.00 24.12 N ATOM 0 H GLN A 68 -4.829 -2.480 -12.123 1.00 13.34 H new ATOM 0 HA GLN A 68 -4.027 -4.276 -14.071 1.00 55.43 H new ATOM 0 HB2 GLN A 68 -4.403 -4.849 -11.716 1.00 25.23 H new ATOM 0 HB3 GLN A 68 -6.118 -4.526 -11.875 1.00 25.23 H new ATOM 0 HG2 GLN A 68 -6.265 -6.381 -13.563 1.00 74.31 H new ATOM 0 HG3 GLN A 68 -4.573 -6.736 -13.274 1.00 74.31 H new ATOM 0 HE21 GLN A 68 -7.630 -7.695 -12.534 1.00 24.12 H new ATOM 0 HE22 GLN A 68 -7.352 -8.430 -10.951 1.00 24.12 H new ATOM 1068 N GLU A 69 -7.066 -3.185 -14.504 1.00 14.53 N ATOM 1069 CA GLU A 69 -8.201 -3.180 -15.419 1.00 54.31 C ATOM 1070 C GLU A 69 -7.776 -2.718 -16.810 1.00 75.22 C ATOM 1071 O GLU A 69 -7.880 -3.466 -17.783 1.00 35.25 O ATOM 1072 CB GLU A 69 -9.312 -2.272 -14.886 1.00 5.24 C ATOM 1073 CG GLU A 69 -10.571 -2.286 -15.736 1.00 21.44 C ATOM 1074 CD GLU A 69 -11.436 -1.060 -15.518 1.00 44.13 C ATOM 1075 OE1 GLU A 69 -11.282 -0.405 -14.466 1.00 25.00 O ATOM 1076 OE2 GLU A 69 -12.266 -0.755 -16.399 1.00 71.05 O ATOM 0 H GLU A 69 -7.099 -2.460 -13.787 1.00 14.53 H new ATOM 0 HA GLU A 69 -8.579 -4.200 -15.493 1.00 54.31 H new ATOM 0 HB2 GLU A 69 -9.565 -2.580 -13.872 1.00 5.24 H new ATOM 0 HB3 GLU A 69 -8.937 -1.251 -14.825 1.00 5.24 H new ATOM 0 HG2 GLU A 69 -10.294 -2.348 -16.788 1.00 21.44 H new ATOM 0 HG3 GLU A 69 -11.150 -3.180 -15.506 1.00 21.44 H new ATOM 1083 N ARG A 70 -7.298 -1.481 -16.896 1.00 72.34 N ATOM 1084 CA ARG A 70 -6.859 -0.919 -18.168 1.00 12.33 C ATOM 1085 C ARG A 70 -5.721 -1.743 -18.763 1.00 11.32 C ATOM 1086 O ARG A 70 -5.754 -2.106 -19.938 1.00 63.45 O ATOM 1087 CB ARG A 70 -6.409 0.531 -17.980 1.00 13.31 C ATOM 1088 CG ARG A 70 -7.530 1.544 -18.148 1.00 75.44 C ATOM 1089 CD ARG A 70 -7.046 2.960 -17.883 1.00 13.50 C ATOM 1090 NE ARG A 70 -6.070 3.401 -18.876 1.00 75.55 N ATOM 1091 CZ ARG A 70 -5.416 4.554 -18.803 1.00 53.31 C ATOM 1092 NH1 ARG A 70 -5.632 5.379 -17.788 1.00 12.31 N ATOM 1093 NH2 ARG A 70 -4.543 4.885 -19.746 1.00 74.54 N ATOM 0 H ARG A 70 -7.205 -0.849 -16.101 1.00 72.34 H new ATOM 0 HA ARG A 70 -7.702 -0.945 -18.858 1.00 12.33 H new ATOM 0 HB2 ARG A 70 -5.976 0.642 -16.986 1.00 13.31 H new ATOM 0 HB3 ARG A 70 -5.619 0.753 -18.698 1.00 13.31 H new ATOM 0 HG2 ARG A 70 -7.932 1.479 -19.159 1.00 75.44 H new ATOM 0 HG3 ARG A 70 -8.345 1.303 -17.465 1.00 75.44 H new ATOM 0 HD2 ARG A 70 -7.898 3.640 -17.885 1.00 13.50 H new ATOM 0 HD3 ARG A 70 -6.600 3.011 -16.890 1.00 13.50 H new ATOM 0 HE ARG A 70 -5.880 2.789 -19.670 1.00 75.55 H new ATOM 0 HH11 ARG A 70 -6.302 5.128 -17.061 1.00 12.31 H new ATOM 0 HH12 ARG A 70 -5.128 6.264 -17.734 1.00 12.31 H new ATOM 0 HH21 ARG A 70 -4.374 4.253 -20.529 1.00 74.54 H new ATOM 0 HH22 ARG A 70 -4.041 5.771 -19.688 1.00 74.54 H new ATOM 1107 N ARG A 71 -4.716 -2.033 -17.943 1.00 11.10 N ATOM 1108 CA ARG A 71 -3.567 -2.812 -18.389 1.00 32.05 C ATOM 1109 C ARG A 71 -4.012 -4.144 -18.985 1.00 72.12 C ATOM 1110 O ARG A 71 -3.513 -4.565 -20.028 1.00 52.24 O ATOM 1111 CB ARG A 71 -2.608 -3.058 -17.223 1.00 20.34 C ATOM 1112 CG ARG A 71 -1.984 -1.788 -16.668 1.00 53.12 C ATOM 1113 CD ARG A 71 -0.996 -1.178 -17.650 1.00 71.10 C ATOM 1114 NE ARG A 71 -1.435 0.131 -18.126 1.00 63.13 N ATOM 1115 CZ ARG A 71 -0.757 0.857 -19.008 1.00 4.43 C ATOM 1116 NH1 ARG A 71 0.385 0.404 -19.507 1.00 3.55 N ATOM 1117 NH2 ARG A 71 -1.221 2.039 -19.392 1.00 42.53 N ATOM 0 H ARG A 71 -4.674 -1.740 -16.967 1.00 11.10 H new ATOM 0 HA ARG A 71 -3.051 -2.242 -19.162 1.00 32.05 H new ATOM 0 HB2 ARG A 71 -3.145 -3.568 -16.423 1.00 20.34 H new ATOM 0 HB3 ARG A 71 -1.814 -3.729 -17.552 1.00 20.34 H new ATOM 0 HG2 ARG A 71 -2.768 -1.065 -16.442 1.00 53.12 H new ATOM 0 HG3 ARG A 71 -1.476 -2.011 -15.730 1.00 53.12 H new ATOM 0 HD2 ARG A 71 -0.022 -1.081 -17.171 1.00 71.10 H new ATOM 0 HD3 ARG A 71 -0.868 -1.849 -18.500 1.00 71.10 H new ATOM 0 HE ARG A 71 -2.310 0.508 -17.761 1.00 63.13 H new ATOM 0 HH11 ARG A 71 0.745 -0.504 -19.214 1.00 3.55 H new ATOM 0 HH12 ARG A 71 0.903 0.964 -20.184 1.00 3.55 H new ATOM 0 HH21 ARG A 71 -2.099 2.391 -19.010 1.00 42.53 H new ATOM 0 HH22 ARG A 71 -0.700 2.596 -20.069 1.00 42.53 H new ATOM 1131 N GLU A 72 -4.953 -4.802 -18.315 1.00 70.11 N ATOM 1132 CA GLU A 72 -5.463 -6.087 -18.779 1.00 54.22 C ATOM 1133 C GLU A 72 -6.054 -5.964 -20.181 1.00 45.40 C ATOM 1134 O GLU A 72 -5.735 -6.750 -21.073 1.00 22.20 O ATOM 1135 CB GLU A 72 -6.524 -6.619 -17.813 1.00 4.24 C ATOM 1136 CG GLU A 72 -7.215 -7.880 -18.302 1.00 32.11 C ATOM 1137 CD GLU A 72 -8.287 -8.366 -17.345 1.00 62.35 C ATOM 1138 OE1 GLU A 72 -8.949 -7.515 -16.716 1.00 33.24 O ATOM 1139 OE2 GLU A 72 -8.463 -9.597 -17.227 1.00 2.35 O ATOM 0 H GLU A 72 -5.377 -4.467 -17.450 1.00 70.11 H new ATOM 0 HA GLU A 72 -4.629 -6.788 -18.814 1.00 54.22 H new ATOM 0 HB2 GLU A 72 -6.057 -6.821 -16.849 1.00 4.24 H new ATOM 0 HB3 GLU A 72 -7.273 -5.845 -17.648 1.00 4.24 H new ATOM 0 HG2 GLU A 72 -7.663 -7.690 -19.277 1.00 32.11 H new ATOM 0 HG3 GLU A 72 -6.473 -8.666 -18.440 1.00 32.11 H new ATOM 1146 N LYS A 73 -6.917 -4.971 -20.368 1.00 4.21 N ATOM 1147 CA LYS A 73 -7.552 -4.742 -21.660 1.00 52.01 C ATOM 1148 C LYS A 73 -6.507 -4.583 -22.760 1.00 12.42 C ATOM 1149 O LYS A 73 -6.697 -5.050 -23.883 1.00 30.43 O ATOM 1150 CB LYS A 73 -8.440 -3.497 -21.601 1.00 72.04 C ATOM 1151 CG LYS A 73 -9.923 -3.812 -21.500 1.00 3.45 C ATOM 1152 CD LYS A 73 -10.594 -2.988 -20.414 1.00 12.43 C ATOM 1153 CE LYS A 73 -11.692 -3.775 -19.715 1.00 22.32 C ATOM 1154 NZ LYS A 73 -13.038 -3.187 -19.959 1.00 21.12 N ATOM 0 H LYS A 73 -7.193 -4.312 -19.640 1.00 4.21 H new ATOM 0 HA LYS A 73 -8.169 -5.610 -21.893 1.00 52.01 H new ATOM 0 HB2 LYS A 73 -8.146 -2.892 -20.743 1.00 72.04 H new ATOM 0 HB3 LYS A 73 -8.265 -2.894 -22.492 1.00 72.04 H new ATOM 0 HG2 LYS A 73 -10.404 -3.614 -22.458 1.00 3.45 H new ATOM 0 HG3 LYS A 73 -10.057 -4.873 -21.289 1.00 3.45 H new ATOM 0 HD2 LYS A 73 -9.850 -2.672 -19.683 1.00 12.43 H new ATOM 0 HD3 LYS A 73 -11.016 -2.083 -20.851 1.00 12.43 H new ATOM 0 HE2 LYS A 73 -11.678 -4.807 -20.065 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -11.495 -3.799 -18.643 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -13.758 -3.752 -19.466 1.00 21.12 H new ATOM 0 HZ2 LYS A 73 -13.060 -2.210 -19.602 1.00 21.12 H new ATOM 0 HZ3 LYS A 73 -13.237 -3.187 -20.980 1.00 21.12 H new ATOM 1168 N PHE A 74 -5.403 -3.921 -22.429 1.00 53.34 N ATOM 1169 CA PHE A 74 -4.328 -3.700 -23.389 1.00 62.42 C ATOM 1170 C PHE A 74 -3.494 -4.965 -23.571 1.00 61.24 C ATOM 1171 O PHE A 74 -2.879 -5.172 -24.617 1.00 54.40 O ATOM 1172 CB PHE A 74 -3.433 -2.548 -22.929 1.00 1.12 C ATOM 1173 CG PHE A 74 -2.577 -1.979 -24.024 1.00 55.34 C ATOM 1174 CD1 PHE A 74 -1.368 -2.568 -24.354 1.00 25.13 C ATOM 1175 CD2 PHE A 74 -2.983 -0.855 -24.725 1.00 55.42 C ATOM 1176 CE1 PHE A 74 -0.578 -2.046 -25.361 1.00 12.22 C ATOM 1177 CE2 PHE A 74 -2.199 -0.328 -25.734 1.00 5.13 C ATOM 1178 CZ PHE A 74 -0.995 -0.925 -26.053 1.00 22.15 C ATOM 0 H PHE A 74 -5.230 -3.528 -21.504 1.00 53.34 H new ATOM 0 HA PHE A 74 -4.778 -3.441 -24.347 1.00 62.42 H new ATOM 0 HB2 PHE A 74 -4.058 -1.755 -22.518 1.00 1.12 H new ATOM 0 HB3 PHE A 74 -2.790 -2.898 -22.121 1.00 1.12 H new ATOM 0 HD1 PHE A 74 -1.038 -3.446 -23.818 1.00 25.13 H new ATOM 0 HD2 PHE A 74 -3.924 -0.385 -24.480 1.00 55.42 H new ATOM 0 HE1 PHE A 74 0.364 -2.514 -25.607 1.00 12.22 H new ATOM 0 HE2 PHE A 74 -2.527 0.549 -26.272 1.00 5.13 H new ATOM 0 HZ PHE A 74 -0.381 -0.516 -26.842 1.00 22.15 H new ATOM 1188 N GLY A 75 -3.478 -5.809 -22.544 1.00 64.42 N ATOM 1189 CA GLY A 75 -2.716 -7.043 -22.610 1.00 30.01 C ATOM 1190 C GLY A 75 -1.869 -7.268 -21.373 1.00 34.32 C ATOM 1191 O GLY A 75 -1.714 -6.369 -20.546 1.00 72.34 O ATOM 0 H GLY A 75 -3.979 -5.661 -21.668 1.00 64.42 H new ATOM 0 HA2 GLY A 75 -3.400 -7.882 -22.736 1.00 30.01 H new ATOM 0 HA3 GLY A 75 -2.072 -7.022 -23.489 1.00 30.01 H new ATOM 1195 N SER A 76 -1.321 -8.472 -21.244 1.00 35.42 N ATOM 1196 CA SER A 76 -0.491 -8.815 -20.096 1.00 5.05 C ATOM 1197 C SER A 76 0.977 -8.506 -20.376 1.00 21.25 C ATOM 1198 O SER A 76 1.414 -8.503 -21.526 1.00 74.35 O ATOM 1199 CB SER A 76 -0.654 -10.295 -19.744 1.00 71.14 C ATOM 1200 OG SER A 76 0.308 -10.701 -18.787 1.00 21.33 O ATOM 0 H SER A 76 -1.437 -9.226 -21.921 1.00 35.42 H new ATOM 0 HA SER A 76 -0.818 -8.210 -19.250 1.00 5.05 H new ATOM 0 HB2 SER A 76 -1.656 -10.471 -19.354 1.00 71.14 H new ATOM 0 HB3 SER A 76 -0.552 -10.900 -20.645 1.00 71.14 H new ATOM 0 HG SER A 76 0.181 -11.650 -18.578 1.00 21.33 H new ATOM 1206 N SER A 77 1.734 -8.246 -19.314 1.00 34.51 N ATOM 1207 CA SER A 77 3.152 -7.932 -19.444 1.00 74.42 C ATOM 1208 C SER A 77 3.844 -7.974 -18.085 1.00 42.44 C ATOM 1209 O SER A 77 3.240 -7.667 -17.057 1.00 71.44 O ATOM 1210 CB SER A 77 3.334 -6.553 -20.081 1.00 32.14 C ATOM 1211 OG SER A 77 3.413 -5.542 -19.091 1.00 50.54 O ATOM 0 H SER A 77 1.389 -8.247 -18.354 1.00 34.51 H new ATOM 0 HA SER A 77 3.609 -8.684 -20.088 1.00 74.42 H new ATOM 0 HB2 SER A 77 4.240 -6.545 -20.687 1.00 32.14 H new ATOM 0 HB3 SER A 77 2.500 -6.346 -20.752 1.00 32.14 H new ATOM 0 HG SER A 77 3.531 -4.670 -19.523 1.00 50.54 H new ATOM 1217 N LYS A 78 5.117 -8.355 -18.089 1.00 1.33 N ATOM 1218 CA LYS A 78 5.895 -8.436 -16.858 1.00 41.22 C ATOM 1219 C LYS A 78 5.805 -7.132 -16.071 1.00 25.41 C ATOM 1220 O LYS A 78 5.784 -7.141 -14.841 1.00 3.24 O ATOM 1221 CB LYS A 78 7.358 -8.753 -17.176 1.00 3.34 C ATOM 1222 CG LYS A 78 7.548 -10.057 -17.930 1.00 23.55 C ATOM 1223 CD LYS A 78 9.006 -10.485 -17.946 1.00 4.21 C ATOM 1224 CE LYS A 78 9.806 -9.698 -18.973 1.00 4.04 C ATOM 1225 NZ LYS A 78 9.743 -10.323 -20.323 1.00 24.44 N ATOM 0 H LYS A 78 5.632 -8.613 -18.931 1.00 1.33 H new ATOM 0 HA LYS A 78 5.480 -9.238 -16.247 1.00 41.22 H new ATOM 0 HB2 LYS A 78 7.778 -7.938 -17.765 1.00 3.34 H new ATOM 0 HB3 LYS A 78 7.922 -8.796 -16.244 1.00 3.34 H new ATOM 0 HG2 LYS A 78 6.944 -10.837 -17.467 1.00 23.55 H new ATOM 0 HG3 LYS A 78 7.190 -9.942 -18.953 1.00 23.55 H new ATOM 0 HD2 LYS A 78 9.440 -10.340 -16.957 1.00 4.21 H new ATOM 0 HD3 LYS A 78 9.071 -11.550 -18.170 1.00 4.21 H new ATOM 0 HE2 LYS A 78 9.424 -8.678 -19.027 1.00 4.04 H new ATOM 0 HE3 LYS A 78 10.845 -9.633 -18.651 1.00 4.04 H new ATOM 0 HZ1 LYS A 78 10.301 -9.757 -20.994 1.00 24.44 H new ATOM 0 HZ2 LYS A 78 10.131 -11.287 -20.278 1.00 24.44 H new ATOM 0 HZ3 LYS A 78 8.754 -10.362 -20.642 1.00 24.44 H new ATOM 1239 N GLU A 79 5.752 -6.015 -16.789 1.00 12.00 N ATOM 1240 CA GLU A 79 5.664 -4.704 -16.156 1.00 34.42 C ATOM 1241 C GLU A 79 4.340 -4.547 -15.413 1.00 11.00 C ATOM 1242 O GLU A 79 4.299 -4.016 -14.303 1.00 33.45 O ATOM 1243 CB GLU A 79 5.809 -3.597 -17.202 1.00 32.22 C ATOM 1244 CG GLU A 79 7.245 -3.150 -17.420 1.00 34.14 C ATOM 1245 CD GLU A 79 8.039 -4.129 -18.262 1.00 21.11 C ATOM 1246 OE1 GLU A 79 8.518 -5.139 -17.706 1.00 33.24 O ATOM 1247 OE2 GLU A 79 8.182 -3.884 -19.478 1.00 72.54 O ATOM 0 H GLU A 79 5.768 -5.991 -17.809 1.00 12.00 H new ATOM 0 HA GLU A 79 6.478 -4.621 -15.435 1.00 34.42 H new ATOM 0 HB2 GLU A 79 5.399 -3.948 -18.149 1.00 32.22 H new ATOM 0 HB3 GLU A 79 5.213 -2.738 -16.895 1.00 32.22 H new ATOM 0 HG2 GLU A 79 7.248 -2.174 -17.905 1.00 34.14 H new ATOM 0 HG3 GLU A 79 7.734 -3.028 -16.454 1.00 34.14 H new ATOM 1254 N ILE A 80 3.261 -5.011 -16.034 1.00 51.02 N ATOM 1255 CA ILE A 80 1.936 -4.922 -15.432 1.00 63.45 C ATOM 1256 C ILE A 80 1.802 -5.882 -14.255 1.00 71.54 C ATOM 1257 O ILE A 80 1.479 -5.472 -13.140 1.00 61.43 O ATOM 1258 CB ILE A 80 0.830 -5.229 -16.459 1.00 51.41 C ATOM 1259 CG1 ILE A 80 0.917 -4.260 -17.640 1.00 3.40 C ATOM 1260 CG2 ILE A 80 -0.540 -5.149 -15.802 1.00 3.34 C ATOM 1261 CD1 ILE A 80 0.180 -4.739 -18.871 1.00 10.22 C ATOM 0 H ILE A 80 3.278 -5.452 -16.953 1.00 51.02 H new ATOM 0 HA ILE A 80 1.818 -3.898 -15.078 1.00 63.45 H new ATOM 0 HB ILE A 80 0.974 -6.243 -16.833 1.00 51.41 H new ATOM 0 HG12 ILE A 80 0.513 -3.294 -17.337 1.00 3.40 H new ATOM 0 HG13 ILE A 80 1.965 -4.102 -17.893 1.00 3.40 H new ATOM 0 HG21 ILE A 80 -1.311 -5.368 -16.541 1.00 3.34 H new ATOM 0 HG22 ILE A 80 -0.597 -5.875 -14.991 1.00 3.34 H new ATOM 0 HG23 ILE A 80 -0.694 -4.146 -15.403 1.00 3.34 H new ATOM 0 HD11 ILE A 80 0.285 -4.002 -19.668 1.00 10.22 H new ATOM 0 HD12 ILE A 80 0.599 -5.690 -19.199 1.00 10.22 H new ATOM 0 HD13 ILE A 80 -0.876 -4.870 -18.635 1.00 10.22 H new ATOM 1273 N ASP A 81 2.053 -7.162 -14.511 1.00 2.41 N ATOM 1274 CA ASP A 81 1.963 -8.181 -13.472 1.00 4.12 C ATOM 1275 C ASP A 81 2.784 -7.784 -12.249 1.00 14.45 C ATOM 1276 O ASP A 81 2.377 -8.024 -11.112 1.00 41.40 O ATOM 1277 CB ASP A 81 2.445 -9.530 -14.008 1.00 12.01 C ATOM 1278 CG ASP A 81 2.280 -10.647 -12.996 1.00 62.13 C ATOM 1279 OD1 ASP A 81 1.202 -11.277 -12.978 1.00 32.12 O ATOM 1280 OD2 ASP A 81 3.230 -10.892 -12.224 1.00 20.02 O ATOM 0 H ASP A 81 2.320 -7.518 -15.429 1.00 2.41 H new ATOM 0 HA ASP A 81 0.918 -8.269 -13.174 1.00 4.12 H new ATOM 0 HB2 ASP A 81 1.889 -9.778 -14.912 1.00 12.01 H new ATOM 0 HB3 ASP A 81 3.495 -9.451 -14.290 1.00 12.01 H new ATOM 1285 N MET A 82 3.941 -7.176 -12.490 1.00 54.21 N ATOM 1286 CA MET A 82 4.818 -6.745 -11.408 1.00 31.44 C ATOM 1287 C MET A 82 4.182 -5.610 -10.612 1.00 3.14 C ATOM 1288 O MET A 82 4.184 -5.626 -9.381 1.00 55.31 O ATOM 1289 CB MET A 82 6.170 -6.298 -11.966 1.00 2.22 C ATOM 1290 CG MET A 82 7.166 -7.434 -12.130 1.00 21.41 C ATOM 1291 SD MET A 82 8.816 -6.854 -12.568 1.00 61.33 S ATOM 1292 CE MET A 82 9.488 -8.313 -13.361 1.00 24.02 C ATOM 0 H MET A 82 4.293 -6.971 -13.425 1.00 54.21 H new ATOM 0 HA MET A 82 4.972 -7.592 -10.739 1.00 31.44 H new ATOM 0 HB2 MET A 82 6.014 -5.820 -12.933 1.00 2.22 H new ATOM 0 HB3 MET A 82 6.596 -5.545 -11.303 1.00 2.22 H new ATOM 0 HG2 MET A 82 7.220 -8.002 -11.201 1.00 21.41 H new ATOM 0 HG3 MET A 82 6.809 -8.117 -12.901 1.00 21.41 H new ATOM 0 HE1 MET A 82 10.559 -8.371 -13.168 1.00 24.02 H new ATOM 0 HE2 MET A 82 8.999 -9.202 -12.962 1.00 24.02 H new ATOM 0 HE3 MET A 82 9.315 -8.255 -14.436 1.00 24.02 H new ATOM 1302 N ALA A 83 3.640 -4.626 -11.322 1.00 64.11 N ATOM 1303 CA ALA A 83 3.000 -3.484 -10.681 1.00 62.14 C ATOM 1304 C ALA A 83 1.896 -3.935 -9.731 1.00 61.53 C ATOM 1305 O ALA A 83 1.672 -3.320 -8.689 1.00 13.13 O ATOM 1306 CB ALA A 83 2.441 -2.535 -11.731 1.00 73.30 C ATOM 0 H ALA A 83 3.631 -4.597 -12.342 1.00 64.11 H new ATOM 0 HA ALA A 83 3.754 -2.958 -10.096 1.00 62.14 H new ATOM 0 HB1 ALA A 83 1.966 -1.687 -11.239 1.00 73.30 H new ATOM 0 HB2 ALA A 83 3.251 -2.178 -12.367 1.00 73.30 H new ATOM 0 HB3 ALA A 83 1.705 -3.059 -12.341 1.00 73.30 H new ATOM 1312 N ILE A 84 1.210 -5.012 -10.098 1.00 74.25 N ATOM 1313 CA ILE A 84 0.129 -5.545 -9.278 1.00 22.30 C ATOM 1314 C ILE A 84 0.670 -6.182 -8.002 1.00 44.04 C ATOM 1315 O ILE A 84 0.315 -5.778 -6.895 1.00 62.10 O ATOM 1316 CB ILE A 84 -0.700 -6.590 -10.048 1.00 63.11 C ATOM 1317 CG1 ILE A 84 -1.285 -5.972 -11.319 1.00 74.25 C ATOM 1318 CG2 ILE A 84 -1.807 -7.145 -9.164 1.00 5.42 C ATOM 1319 CD1 ILE A 84 -2.101 -6.944 -12.143 1.00 43.04 C ATOM 0 H ILE A 84 1.383 -5.533 -10.958 1.00 74.25 H new ATOM 0 HA ILE A 84 -0.514 -4.704 -9.018 1.00 22.30 H new ATOM 0 HB ILE A 84 -0.045 -7.413 -10.335 1.00 63.11 H new ATOM 0 HG12 ILE A 84 -1.913 -5.124 -11.045 1.00 74.25 H new ATOM 0 HG13 ILE A 84 -0.472 -5.582 -11.931 1.00 74.25 H new ATOM 0 HG21 ILE A 84 -2.384 -7.882 -9.723 1.00 5.42 H new ATOM 0 HG22 ILE A 84 -1.368 -7.618 -8.285 1.00 5.42 H new ATOM 0 HG23 ILE A 84 -2.463 -6.333 -8.850 1.00 5.42 H new ATOM 0 HD11 ILE A 84 -2.485 -6.438 -13.029 1.00 43.04 H new ATOM 0 HD12 ILE A 84 -1.472 -7.781 -12.447 1.00 43.04 H new ATOM 0 HD13 ILE A 84 -2.935 -7.315 -11.547 1.00 43.04 H new ATOM 1331 N VAL A 85 1.534 -7.179 -8.166 1.00 31.34 N ATOM 1332 CA VAL A 85 2.127 -7.871 -7.027 1.00 44.34 C ATOM 1333 C VAL A 85 2.867 -6.896 -6.117 1.00 73.42 C ATOM 1334 O VAL A 85 2.825 -7.019 -4.892 1.00 54.15 O ATOM 1335 CB VAL A 85 3.104 -8.970 -7.485 1.00 60.15 C ATOM 1336 CG1 VAL A 85 2.351 -10.104 -8.165 1.00 24.03 C ATOM 1337 CG2 VAL A 85 4.161 -8.390 -8.413 1.00 24.22 C ATOM 0 H VAL A 85 1.839 -7.525 -9.076 1.00 31.34 H new ATOM 0 HA VAL A 85 1.308 -8.331 -6.474 1.00 44.34 H new ATOM 0 HB VAL A 85 3.607 -9.374 -6.606 1.00 60.15 H new ATOM 0 HG11 VAL A 85 3.057 -10.871 -8.482 1.00 24.03 H new ATOM 0 HG12 VAL A 85 1.635 -10.536 -7.466 1.00 24.03 H new ATOM 0 HG13 VAL A 85 1.820 -9.718 -9.035 1.00 24.03 H new ATOM 0 HG21 VAL A 85 4.843 -9.180 -8.727 1.00 24.22 H new ATOM 0 HG22 VAL A 85 3.678 -7.958 -9.290 1.00 24.22 H new ATOM 0 HG23 VAL A 85 4.720 -7.615 -7.888 1.00 24.22 H new ATOM 1347 N THR A 86 3.545 -5.927 -6.724 1.00 14.35 N ATOM 1348 CA THR A 86 4.294 -4.931 -5.968 1.00 43.24 C ATOM 1349 C THR A 86 3.376 -4.130 -5.052 1.00 25.11 C ATOM 1350 O THR A 86 3.633 -4.006 -3.854 1.00 20.25 O ATOM 1351 CB THR A 86 5.040 -3.961 -6.904 1.00 41.21 C ATOM 1352 OG1 THR A 86 4.148 -3.465 -7.908 1.00 15.10 O ATOM 1353 CG2 THR A 86 6.224 -4.650 -7.566 1.00 74.02 C ATOM 0 H THR A 86 3.591 -5.811 -7.736 1.00 14.35 H new ATOM 0 HA THR A 86 5.021 -5.474 -5.364 1.00 43.24 H new ATOM 0 HB THR A 86 5.412 -3.129 -6.306 1.00 41.21 H new ATOM 0 HG1 THR A 86 4.211 -4.027 -8.708 1.00 15.10 H new ATOM 0 HG21 THR A 86 6.735 -3.945 -8.222 1.00 74.02 H new ATOM 0 HG22 THR A 86 6.916 -5.000 -6.800 1.00 74.02 H new ATOM 0 HG23 THR A 86 5.870 -5.499 -8.151 1.00 74.02 H new ATOM 1361 N LEU A 87 2.306 -3.588 -5.621 1.00 74.55 N ATOM 1362 CA LEU A 87 1.348 -2.799 -4.855 1.00 33.43 C ATOM 1363 C LEU A 87 0.699 -3.642 -3.762 1.00 32.53 C ATOM 1364 O LEU A 87 0.392 -3.145 -2.678 1.00 51.22 O ATOM 1365 CB LEU A 87 0.272 -2.227 -5.780 1.00 20.24 C ATOM 1366 CG LEU A 87 0.685 -1.020 -6.623 1.00 73.41 C ATOM 1367 CD1 LEU A 87 -0.254 -0.851 -7.808 1.00 22.23 C ATOM 1368 CD2 LEU A 87 0.707 0.242 -5.773 1.00 72.33 C ATOM 0 H LEU A 87 2.079 -3.680 -6.611 1.00 74.55 H new ATOM 0 HA LEU A 87 1.887 -1.977 -4.383 1.00 33.43 H new ATOM 0 HB2 LEU A 87 -0.059 -3.018 -6.452 1.00 20.24 H new ATOM 0 HB3 LEU A 87 -0.588 -1.944 -5.173 1.00 20.24 H new ATOM 0 HG LEU A 87 1.691 -1.194 -7.005 1.00 73.41 H new ATOM 0 HD11 LEU A 87 0.055 0.013 -8.397 1.00 22.23 H new ATOM 0 HD12 LEU A 87 -0.219 -1.745 -8.430 1.00 22.23 H new ATOM 0 HD13 LEU A 87 -1.271 -0.699 -7.447 1.00 22.23 H new ATOM 0 HD21 LEU A 87 1.003 1.091 -6.389 1.00 72.33 H new ATOM 0 HD22 LEU A 87 -0.286 0.421 -5.362 1.00 72.33 H new ATOM 0 HD23 LEU A 87 1.420 0.119 -4.958 1.00 72.33 H new ATOM 1380 N LYS A 88 0.494 -4.923 -4.052 1.00 42.33 N ATOM 1381 CA LYS A 88 -0.115 -5.838 -3.094 1.00 42.50 C ATOM 1382 C LYS A 88 0.842 -6.138 -1.945 1.00 64.41 C ATOM 1383 O LYS A 88 0.558 -5.826 -0.789 1.00 32.12 O ATOM 1384 CB LYS A 88 -0.521 -7.140 -3.788 1.00 1.31 C ATOM 1385 CG LYS A 88 -1.965 -7.538 -3.537 1.00 50.22 C ATOM 1386 CD LYS A 88 -2.415 -8.632 -4.491 1.00 15.14 C ATOM 1387 CE LYS A 88 -3.162 -8.058 -5.685 1.00 44.22 C ATOM 1388 NZ LYS A 88 -4.096 -9.050 -6.285 1.00 31.23 N ATOM 0 H LYS A 88 0.741 -5.351 -4.944 1.00 42.33 H new ATOM 0 HA LYS A 88 -1.005 -5.359 -2.686 1.00 42.50 H new ATOM 0 HB2 LYS A 88 -0.363 -7.034 -4.861 1.00 1.31 H new ATOM 0 HB3 LYS A 88 0.133 -7.943 -3.447 1.00 1.31 H new ATOM 0 HG2 LYS A 88 -2.075 -7.883 -2.509 1.00 50.22 H new ATOM 0 HG3 LYS A 88 -2.609 -6.666 -3.652 1.00 50.22 H new ATOM 0 HD2 LYS A 88 -1.547 -9.193 -4.839 1.00 15.14 H new ATOM 0 HD3 LYS A 88 -3.058 -9.336 -3.962 1.00 15.14 H new ATOM 0 HE2 LYS A 88 -3.721 -7.176 -5.373 1.00 44.22 H new ATOM 0 HE3 LYS A 88 -2.445 -7.732 -6.439 1.00 44.22 H new ATOM 0 HZ1 LYS A 88 -4.647 -8.595 -7.041 1.00 31.23 H new ATOM 0 HZ2 LYS A 88 -3.552 -9.843 -6.682 1.00 31.23 H new ATOM 0 HZ3 LYS A 88 -4.742 -9.406 -5.552 1.00 31.23 H new ATOM 1402 N VAL A 89 1.979 -6.746 -2.271 1.00 50.33 N ATOM 1403 CA VAL A 89 2.979 -7.086 -1.267 1.00 24.21 C ATOM 1404 C VAL A 89 3.378 -5.862 -0.451 1.00 42.52 C ATOM 1405 O VAL A 89 3.526 -5.936 0.769 1.00 62.02 O ATOM 1406 CB VAL A 89 4.240 -7.692 -1.913 1.00 13.13 C ATOM 1407 CG1 VAL A 89 5.213 -8.164 -0.844 1.00 22.42 C ATOM 1408 CG2 VAL A 89 3.864 -8.833 -2.845 1.00 72.43 C ATOM 0 H VAL A 89 2.230 -7.013 -3.223 1.00 50.33 H new ATOM 0 HA VAL A 89 2.526 -7.826 -0.608 1.00 24.21 H new ATOM 0 HB VAL A 89 4.733 -6.919 -2.503 1.00 13.13 H new ATOM 0 HG11 VAL A 89 6.097 -8.589 -1.319 1.00 22.42 H new ATOM 0 HG12 VAL A 89 5.506 -7.319 -0.221 1.00 22.42 H new ATOM 0 HG13 VAL A 89 4.734 -8.923 -0.225 1.00 22.42 H new ATOM 0 HG21 VAL A 89 4.766 -9.249 -3.293 1.00 72.43 H new ATOM 0 HG22 VAL A 89 3.348 -9.609 -2.280 1.00 72.43 H new ATOM 0 HG23 VAL A 89 3.208 -8.459 -3.631 1.00 72.43 H new ATOM 1418 N PHE A 90 3.551 -4.734 -1.133 1.00 15.11 N ATOM 1419 CA PHE A 90 3.933 -3.492 -0.472 1.00 11.32 C ATOM 1420 C PHE A 90 2.798 -2.971 0.406 1.00 64.02 C ATOM 1421 O PHE A 90 3.035 -2.340 1.436 1.00 63.54 O ATOM 1422 CB PHE A 90 4.317 -2.434 -1.509 1.00 31.30 C ATOM 1423 CG PHE A 90 4.527 -1.068 -0.922 1.00 54.44 C ATOM 1424 CD1 PHE A 90 5.331 -0.893 0.192 1.00 64.41 C ATOM 1425 CD2 PHE A 90 3.918 0.043 -1.485 1.00 63.01 C ATOM 1426 CE1 PHE A 90 5.527 0.363 0.734 1.00 72.00 C ATOM 1427 CE2 PHE A 90 4.110 1.302 -0.948 1.00 23.33 C ATOM 1428 CZ PHE A 90 4.914 1.462 0.164 1.00 65.21 C ATOM 0 H PHE A 90 3.433 -4.655 -2.143 1.00 15.11 H new ATOM 0 HA PHE A 90 4.795 -3.698 0.163 1.00 11.32 H new ATOM 0 HB2 PHE A 90 5.230 -2.747 -2.015 1.00 31.30 H new ATOM 0 HB3 PHE A 90 3.535 -2.379 -2.267 1.00 31.30 H new ATOM 0 HD1 PHE A 90 5.811 -1.749 0.643 1.00 64.41 H new ATOM 0 HD2 PHE A 90 3.286 -0.077 -2.353 1.00 63.01 H new ATOM 0 HE1 PHE A 90 6.158 0.485 1.602 1.00 72.00 H new ATOM 0 HE2 PHE A 90 3.632 2.160 -1.397 1.00 23.33 H new ATOM 0 HZ PHE A 90 5.063 2.444 0.587 1.00 65.21 H new ATOM 1438 N ALA A 91 1.565 -3.240 -0.011 1.00 2.52 N ATOM 1439 CA ALA A 91 0.394 -2.800 0.737 1.00 73.11 C ATOM 1440 C ALA A 91 0.311 -3.501 2.089 1.00 53.41 C ATOM 1441 O ALA A 91 0.100 -2.860 3.119 1.00 24.52 O ATOM 1442 CB ALA A 91 -0.872 -3.052 -0.069 1.00 60.50 C ATOM 0 H ALA A 91 1.352 -3.760 -0.862 1.00 2.52 H new ATOM 0 HA ALA A 91 0.490 -1.729 0.918 1.00 73.11 H new ATOM 0 HB1 ALA A 91 -1.739 -2.719 0.502 1.00 60.50 H new ATOM 0 HB2 ALA A 91 -0.821 -2.500 -1.008 1.00 60.50 H new ATOM 0 HB3 ALA A 91 -0.964 -4.118 -0.279 1.00 60.50 H new ATOM 1448 N VAL A 92 0.477 -4.819 2.078 1.00 34.50 N ATOM 1449 CA VAL A 92 0.421 -5.607 3.304 1.00 71.13 C ATOM 1450 C VAL A 92 1.734 -5.519 4.074 1.00 54.21 C ATOM 1451 O VAL A 92 1.760 -5.096 5.229 1.00 10.41 O ATOM 1452 CB VAL A 92 0.111 -7.086 3.007 1.00 60.33 C ATOM 1453 CG1 VAL A 92 -0.133 -7.851 4.299 1.00 43.11 C ATOM 1454 CG2 VAL A 92 -1.086 -7.203 2.075 1.00 44.12 C ATOM 0 H VAL A 92 0.651 -5.364 1.234 1.00 34.50 H new ATOM 0 HA VAL A 92 -0.382 -5.190 3.912 1.00 71.13 H new ATOM 0 HB VAL A 92 0.975 -7.527 2.509 1.00 60.33 H new ATOM 0 HG11 VAL A 92 -0.350 -8.894 4.069 1.00 43.11 H new ATOM 0 HG12 VAL A 92 0.756 -7.796 4.928 1.00 43.11 H new ATOM 0 HG13 VAL A 92 -0.979 -7.412 4.827 1.00 43.11 H new ATOM 0 HG21 VAL A 92 -1.291 -8.255 1.876 1.00 44.12 H new ATOM 0 HG22 VAL A 92 -1.958 -6.746 2.543 1.00 44.12 H new ATOM 0 HG23 VAL A 92 -0.868 -6.692 1.137 1.00 44.12 H new ATOM 1464 N ALA A 93 2.822 -5.921 3.426 1.00 52.15 N ATOM 1465 CA ALA A 93 4.139 -5.885 4.048 1.00 1.14 C ATOM 1466 C ALA A 93 4.499 -4.470 4.489 1.00 25.22 C ATOM 1467 O ALA A 93 5.329 -4.279 5.377 1.00 11.44 O ATOM 1468 CB ALA A 93 5.191 -6.425 3.091 1.00 73.33 C ATOM 0 H ALA A 93 2.817 -6.276 2.470 1.00 52.15 H new ATOM 0 HA ALA A 93 4.112 -6.519 4.935 1.00 1.14 H new ATOM 0 HB1 ALA A 93 6.170 -6.392 3.570 1.00 73.33 H new ATOM 0 HB2 ALA A 93 4.950 -7.455 2.829 1.00 73.33 H new ATOM 0 HB3 ALA A 93 5.208 -5.815 2.188 1.00 73.33 H new ATOM 1474 N GLY A 94 3.870 -3.481 3.861 1.00 25.23 N ATOM 1475 CA GLY A 94 4.139 -2.096 4.202 1.00 23.44 C ATOM 1476 C GLY A 94 3.166 -1.553 5.229 1.00 11.23 C ATOM 1477 O GLY A 94 3.532 -1.324 6.383 1.00 42.11 O ATOM 0 H GLY A 94 3.179 -3.614 3.122 1.00 25.23 H new ATOM 0 HA2 GLY A 94 5.155 -2.011 4.588 1.00 23.44 H new ATOM 0 HA3 GLY A 94 4.088 -1.486 3.300 1.00 23.44 H new ATOM 1481 N LEU A 95 1.923 -1.343 4.811 1.00 73.52 N ATOM 1482 CA LEU A 95 0.893 -0.821 5.702 1.00 30.25 C ATOM 1483 C LEU A 95 0.687 -1.747 6.897 1.00 12.54 C ATOM 1484 O LEU A 95 0.684 -1.303 8.047 1.00 72.05 O ATOM 1485 CB LEU A 95 -0.425 -0.646 4.945 1.00 25.31 C ATOM 1486 CG LEU A 95 -0.327 0.027 3.576 1.00 72.24 C ATOM 1487 CD1 LEU A 95 -1.703 0.140 2.938 1.00 50.24 C ATOM 1488 CD2 LEU A 95 0.320 1.399 3.700 1.00 33.52 C ATOM 0 H LEU A 95 1.604 -1.526 3.860 1.00 73.52 H new ATOM 0 HA LEU A 95 1.224 0.150 6.070 1.00 30.25 H new ATOM 0 HB2 LEU A 95 -0.879 -1.628 4.813 1.00 25.31 H new ATOM 0 HB3 LEU A 95 -1.104 -0.062 5.567 1.00 25.31 H new ATOM 0 HG LEU A 95 0.300 -0.591 2.933 1.00 72.24 H new ATOM 0 HD11 LEU A 95 -1.614 0.621 1.964 1.00 50.24 H new ATOM 0 HD12 LEU A 95 -2.129 -0.856 2.813 1.00 50.24 H new ATOM 0 HD13 LEU A 95 -2.353 0.735 3.579 1.00 50.24 H new ATOM 0 HD21 LEU A 95 0.381 1.863 2.715 1.00 33.52 H new ATOM 0 HD22 LEU A 95 -0.280 2.026 4.360 1.00 33.52 H new ATOM 0 HD23 LEU A 95 1.323 1.292 4.114 1.00 33.52 H new ATOM 1500 N LEU A 96 0.517 -3.034 6.619 1.00 31.32 N ATOM 1501 CA LEU A 96 0.313 -4.024 7.671 1.00 15.15 C ATOM 1502 C LEU A 96 1.644 -4.460 8.274 1.00 31.54 C ATOM 1503 O LEU A 96 1.684 -5.299 9.174 1.00 52.13 O ATOM 1504 CB LEU A 96 -0.433 -5.240 7.118 1.00 43.53 C ATOM 1505 CG LEU A 96 -1.873 -5.420 7.599 1.00 62.42 C ATOM 1506 CD1 LEU A 96 -2.606 -6.425 6.724 1.00 62.15 C ATOM 1507 CD2 LEU A 96 -1.897 -5.861 9.055 1.00 33.21 C ATOM 0 H LEU A 96 0.516 -3.417 5.674 1.00 31.32 H new ATOM 0 HA LEU A 96 -0.287 -3.564 8.456 1.00 15.15 H new ATOM 0 HB2 LEU A 96 -0.440 -5.173 6.030 1.00 43.53 H new ATOM 0 HB3 LEU A 96 0.130 -6.136 7.378 1.00 43.53 H new ATOM 0 HG LEU A 96 -2.385 -4.461 7.522 1.00 62.42 H new ATOM 0 HD11 LEU A 96 -3.629 -6.540 7.081 1.00 62.15 H new ATOM 0 HD12 LEU A 96 -2.619 -6.069 5.694 1.00 62.15 H new ATOM 0 HD13 LEU A 96 -2.095 -7.387 6.769 1.00 62.15 H new ATOM 0 HD21 LEU A 96 -2.930 -5.984 9.381 1.00 33.21 H new ATOM 0 HD22 LEU A 96 -1.369 -6.809 9.157 1.00 33.21 H new ATOM 0 HD23 LEU A 96 -1.410 -5.106 9.672 1.00 33.21 H new ATOM 1519 N ASN A 97 2.732 -3.884 7.774 1.00 52.02 N ATOM 1520 CA ASN A 97 4.065 -4.212 8.264 1.00 23.44 C ATOM 1521 C ASN A 97 4.293 -5.721 8.253 1.00 33.03 C ATOM 1522 O ASN A 97 5.040 -6.252 9.074 1.00 63.10 O ATOM 1523 CB ASN A 97 4.259 -3.667 9.681 1.00 43.55 C ATOM 1524 CG ASN A 97 4.351 -2.153 9.709 1.00 24.11 C ATOM 1525 OD1 ASN A 97 5.225 -1.561 9.075 1.00 71.22 O ATOM 1526 ND2 ASN A 97 3.448 -1.519 10.448 1.00 71.42 N ATOM 0 H ASN A 97 2.716 -3.187 7.029 1.00 52.02 H new ATOM 0 HA ASN A 97 4.793 -3.747 7.600 1.00 23.44 H new ATOM 0 HB2 ASN A 97 3.428 -3.990 10.309 1.00 43.55 H new ATOM 0 HB3 ASN A 97 5.167 -4.092 10.110 1.00 43.55 H new ATOM 0 HD21 ASN A 97 3.461 -0.501 10.507 1.00 71.42 H new ATOM 0 HD22 ASN A 97 2.741 -2.050 10.957 1.00 71.42 H new ATOM 1533 N MET A 98 3.643 -6.405 7.317 1.00 11.03 N ATOM 1534 CA MET A 98 3.776 -7.852 7.198 1.00 32.32 C ATOM 1535 C MET A 98 5.176 -8.233 6.729 1.00 44.11 C ATOM 1536 O MET A 98 5.999 -7.367 6.430 1.00 43.22 O ATOM 1537 CB MET A 98 2.732 -8.403 6.225 1.00 71.40 C ATOM 1538 CG MET A 98 1.937 -9.573 6.784 1.00 43.41 C ATOM 1539 SD MET A 98 0.495 -9.044 7.728 1.00 22.04 S ATOM 1540 CE MET A 98 0.173 -10.511 8.704 1.00 4.03 C ATOM 0 H MET A 98 3.019 -5.981 6.630 1.00 11.03 H new ATOM 0 HA MET A 98 3.611 -8.289 8.183 1.00 32.32 H new ATOM 0 HB2 MET A 98 2.043 -7.603 5.953 1.00 71.40 H new ATOM 0 HB3 MET A 98 3.232 -8.719 5.309 1.00 71.40 H new ATOM 0 HG2 MET A 98 1.614 -10.213 5.963 1.00 43.41 H new ATOM 0 HG3 MET A 98 2.584 -10.175 7.422 1.00 43.41 H new ATOM 0 HE1 MET A 98 -0.694 -10.340 9.342 1.00 4.03 H new ATOM 0 HE2 MET A 98 -0.025 -11.353 8.041 1.00 4.03 H new ATOM 0 HE3 MET A 98 1.042 -10.734 9.324 1.00 4.03 H new ATOM 1550 N THR A 99 5.442 -9.534 6.667 1.00 71.12 N ATOM 1551 CA THR A 99 6.743 -10.029 6.235 1.00 1.15 C ATOM 1552 C THR A 99 6.596 -11.093 5.154 1.00 32.43 C ATOM 1553 O THR A 99 7.207 -12.159 5.231 1.00 64.13 O ATOM 1554 CB THR A 99 7.539 -10.618 7.415 1.00 22.31 C ATOM 1555 OG1 THR A 99 8.814 -11.086 6.961 1.00 42.21 O ATOM 1556 CG2 THR A 99 6.776 -11.762 8.065 1.00 20.52 C ATOM 0 H THR A 99 4.773 -10.264 6.911 1.00 71.12 H new ATOM 0 HA THR A 99 7.287 -9.176 5.829 1.00 1.15 H new ATOM 0 HB THR A 99 7.684 -9.831 8.155 1.00 22.31 H new ATOM 0 HG1 THR A 99 8.685 -11.781 6.283 1.00 42.21 H new ATOM 0 HG21 THR A 99 7.358 -12.162 8.895 1.00 20.52 H new ATOM 0 HG22 THR A 99 5.818 -11.396 8.436 1.00 20.52 H new ATOM 0 HG23 THR A 99 6.604 -12.549 7.330 1.00 20.52 H new ATOM 1564 N VAL A 100 5.781 -10.798 4.147 1.00 51.05 N ATOM 1565 CA VAL A 100 5.555 -11.730 3.048 1.00 53.50 C ATOM 1566 C VAL A 100 6.687 -11.663 2.029 1.00 53.21 C ATOM 1567 O VAL A 100 6.971 -10.603 1.470 1.00 31.51 O ATOM 1568 CB VAL A 100 4.220 -11.443 2.335 1.00 34.43 C ATOM 1569 CG1 VAL A 100 3.047 -11.764 3.249 1.00 12.24 C ATOM 1570 CG2 VAL A 100 4.164 -9.996 1.870 1.00 31.13 C ATOM 0 H VAL A 100 5.266 -9.921 4.069 1.00 51.05 H new ATOM 0 HA VAL A 100 5.520 -12.729 3.482 1.00 53.50 H new ATOM 0 HB VAL A 100 4.152 -12.085 1.457 1.00 34.43 H new ATOM 0 HG11 VAL A 100 2.112 -11.555 2.728 1.00 12.24 H new ATOM 0 HG12 VAL A 100 3.080 -12.817 3.527 1.00 12.24 H new ATOM 0 HG13 VAL A 100 3.107 -11.150 4.147 1.00 12.24 H new ATOM 0 HG21 VAL A 100 3.214 -9.811 1.369 1.00 31.13 H new ATOM 0 HG22 VAL A 100 4.255 -9.333 2.731 1.00 31.13 H new ATOM 0 HG23 VAL A 100 4.983 -9.805 1.177 1.00 31.13 H new ATOM 1580 N SER A 101 7.330 -12.802 1.791 1.00 13.44 N ATOM 1581 CA SER A 101 8.434 -12.872 0.841 1.00 33.24 C ATOM 1582 C SER A 101 7.979 -13.494 -0.475 1.00 75.42 C ATOM 1583 O SER A 101 8.797 -13.914 -1.294 1.00 3.11 O ATOM 1584 CB SER A 101 9.589 -13.684 1.430 1.00 63.14 C ATOM 1585 OG SER A 101 10.354 -12.903 2.331 1.00 23.12 O ATOM 0 H SER A 101 7.105 -13.688 2.243 1.00 13.44 H new ATOM 0 HA SER A 101 8.777 -11.856 0.643 1.00 33.24 H new ATOM 0 HB2 SER A 101 9.196 -14.560 1.946 1.00 63.14 H new ATOM 0 HB3 SER A 101 10.229 -14.048 0.626 1.00 63.14 H new ATOM 0 HG SER A 101 10.531 -12.025 1.934 1.00 23.12 H new ATOM 1591 N THR A 102 6.665 -13.551 -0.673 1.00 20.11 N ATOM 1592 CA THR A 102 6.099 -14.122 -1.888 1.00 70.52 C ATOM 1593 C THR A 102 4.823 -13.395 -2.295 1.00 51.34 C ATOM 1594 O THR A 102 3.911 -13.222 -1.488 1.00 32.45 O ATOM 1595 CB THR A 102 5.788 -15.621 -1.713 1.00 1.14 C ATOM 1596 OG1 THR A 102 4.632 -15.788 -0.885 1.00 11.45 O ATOM 1597 CG2 THR A 102 6.971 -16.350 -1.093 1.00 50.05 C ATOM 0 H THR A 102 5.973 -13.208 -0.006 1.00 20.11 H new ATOM 0 HA THR A 102 6.848 -14.003 -2.671 1.00 70.52 H new ATOM 0 HB THR A 102 5.594 -16.047 -2.698 1.00 1.14 H new ATOM 0 HG1 THR A 102 4.092 -16.533 -1.223 1.00 11.45 H new ATOM 0 HG21 THR A 102 6.728 -17.406 -0.979 1.00 50.05 H new ATOM 0 HG22 THR A 102 7.842 -16.246 -1.740 1.00 50.05 H new ATOM 0 HG23 THR A 102 7.191 -15.921 -0.116 1.00 50.05 H new ATOM 1605 N ALA A 103 4.765 -12.970 -3.553 1.00 61.14 N ATOM 1606 CA ALA A 103 3.599 -12.263 -4.068 1.00 60.23 C ATOM 1607 C ALA A 103 2.320 -13.050 -3.805 1.00 15.24 C ATOM 1608 O ALA A 103 1.243 -12.472 -3.662 1.00 13.34 O ATOM 1609 CB ALA A 103 3.759 -11.996 -5.558 1.00 10.35 C ATOM 0 H ALA A 103 5.512 -13.103 -4.234 1.00 61.14 H new ATOM 0 HA ALA A 103 3.523 -11.310 -3.545 1.00 60.23 H new ATOM 0 HB1 ALA A 103 2.881 -11.467 -5.929 1.00 10.35 H new ATOM 0 HB2 ALA A 103 4.647 -11.386 -5.725 1.00 10.35 H new ATOM 0 HB3 ALA A 103 3.864 -12.943 -6.088 1.00 10.35 H new ATOM 1615 N ALA A 104 2.445 -14.371 -3.742 1.00 62.42 N ATOM 1616 CA ALA A 104 1.299 -15.237 -3.494 1.00 52.15 C ATOM 1617 C ALA A 104 0.794 -15.084 -2.064 1.00 5.14 C ATOM 1618 O ALA A 104 -0.410 -14.993 -1.826 1.00 64.12 O ATOM 1619 CB ALA A 104 1.662 -16.687 -3.776 1.00 20.41 C ATOM 0 H ALA A 104 3.329 -14.866 -3.859 1.00 62.42 H new ATOM 0 HA ALA A 104 0.497 -14.938 -4.168 1.00 52.15 H new ATOM 0 HB1 ALA A 104 0.797 -17.322 -3.587 1.00 20.41 H new ATOM 0 HB2 ALA A 104 1.967 -16.790 -4.818 1.00 20.41 H new ATOM 0 HB3 ALA A 104 2.483 -16.989 -3.126 1.00 20.41 H new ATOM 1625 N ALA A 105 1.723 -15.057 -1.113 1.00 43.34 N ATOM 1626 CA ALA A 105 1.372 -14.913 0.294 1.00 24.40 C ATOM 1627 C ALA A 105 0.692 -13.574 0.556 1.00 34.35 C ATOM 1628 O ALA A 105 -0.247 -13.489 1.348 1.00 70.23 O ATOM 1629 CB ALA A 105 2.612 -15.057 1.164 1.00 2.13 C ATOM 0 H ALA A 105 2.724 -15.133 -1.292 1.00 43.34 H new ATOM 0 HA ALA A 105 0.668 -15.704 0.550 1.00 24.40 H new ATOM 0 HB1 ALA A 105 2.335 -14.947 2.213 1.00 2.13 H new ATOM 0 HB2 ALA A 105 3.055 -16.040 1.006 1.00 2.13 H new ATOM 0 HB3 ALA A 105 3.335 -14.287 0.897 1.00 2.13 H new ATOM 1635 N ALA A 106 1.171 -12.531 -0.112 1.00 44.21 N ATOM 1636 CA ALA A 106 0.608 -11.196 0.048 1.00 32.13 C ATOM 1637 C ALA A 106 -0.840 -11.150 -0.429 1.00 22.52 C ATOM 1638 O ALA A 106 -1.736 -10.760 0.318 1.00 34.30 O ATOM 1639 CB ALA A 106 1.447 -10.175 -0.706 1.00 14.12 C ATOM 0 H ALA A 106 1.949 -12.584 -0.770 1.00 44.21 H new ATOM 0 HA ALA A 106 0.622 -10.948 1.109 1.00 32.13 H new ATOM 0 HB1 ALA A 106 1.015 -9.183 -0.578 1.00 14.12 H new ATOM 0 HB2 ALA A 106 2.465 -10.181 -0.316 1.00 14.12 H new ATOM 0 HB3 ALA A 106 1.464 -10.429 -1.766 1.00 14.12 H new ATOM 1645 N GLU A 107 -1.060 -11.551 -1.677 1.00 64.03 N ATOM 1646 CA GLU A 107 -2.399 -11.554 -2.253 1.00 52.33 C ATOM 1647 C GLU A 107 -3.353 -12.393 -1.408 1.00 71.23 C ATOM 1648 O GLU A 107 -4.520 -12.042 -1.237 1.00 24.30 O ATOM 1649 CB GLU A 107 -2.362 -12.091 -3.685 1.00 65.04 C ATOM 1650 CG GLU A 107 -3.719 -12.100 -4.368 1.00 30.41 C ATOM 1651 CD GLU A 107 -3.981 -13.386 -5.128 1.00 31.11 C ATOM 1652 OE1 GLU A 107 -4.216 -14.424 -4.474 1.00 11.22 O ATOM 1653 OE2 GLU A 107 -3.951 -13.355 -6.376 1.00 21.02 O ATOM 0 H GLU A 107 -0.328 -11.878 -2.308 1.00 64.03 H new ATOM 0 HA GLU A 107 -2.762 -10.526 -2.268 1.00 52.33 H new ATOM 0 HB2 GLU A 107 -1.673 -11.485 -4.273 1.00 65.04 H new ATOM 0 HB3 GLU A 107 -1.964 -13.106 -3.673 1.00 65.04 H new ATOM 0 HG2 GLU A 107 -4.499 -11.959 -3.620 1.00 30.41 H new ATOM 0 HG3 GLU A 107 -3.781 -11.257 -5.056 1.00 30.41 H new ATOM 1660 N ASN A 108 -2.847 -13.504 -0.883 1.00 72.43 N ATOM 1661 CA ASN A 108 -3.654 -14.395 -0.057 1.00 62.40 C ATOM 1662 C ASN A 108 -4.163 -13.672 1.186 1.00 71.01 C ATOM 1663 O ASN A 108 -5.354 -13.711 1.495 1.00 63.30 O ATOM 1664 CB ASN A 108 -2.838 -15.623 0.352 1.00 20.32 C ATOM 1665 CG ASN A 108 -3.549 -16.923 0.029 1.00 24.52 C ATOM 1666 OD1 ASN A 108 -3.020 -17.770 -0.691 1.00 71.33 O ATOM 1667 ND2 ASN A 108 -4.754 -17.087 0.562 1.00 22.15 N ATOM 0 H ASN A 108 -1.883 -13.809 -1.015 1.00 72.43 H new ATOM 0 HA ASN A 108 -4.513 -14.717 -0.646 1.00 62.40 H new ATOM 0 HB2 ASN A 108 -1.875 -15.602 -0.158 1.00 20.32 H new ATOM 0 HB3 ASN A 108 -2.633 -15.580 1.422 1.00 20.32 H new ATOM 0 HD21 ASN A 108 -5.280 -17.942 0.380 1.00 22.15 H new ATOM 0 HD22 ASN A 108 -5.154 -16.358 1.153 1.00 22.15 H new ATOM 1674 N MET A 109 -3.253 -13.012 1.894 1.00 1.23 N ATOM 1675 CA MET A 109 -3.610 -12.278 3.103 1.00 54.13 C ATOM 1676 C MET A 109 -4.500 -11.084 2.771 1.00 71.25 C ATOM 1677 O MET A 109 -5.434 -10.770 3.508 1.00 14.13 O ATOM 1678 CB MET A 109 -2.350 -11.803 3.828 1.00 30.14 C ATOM 1679 CG MET A 109 -2.382 -12.052 5.328 1.00 62.24 C ATOM 1680 SD MET A 109 -3.776 -11.245 6.136 1.00 15.14 S ATOM 1681 CE MET A 109 -3.048 -9.667 6.572 1.00 34.52 C ATOM 0 H MET A 109 -2.263 -12.970 1.652 1.00 1.23 H new ATOM 0 HA MET A 109 -4.164 -12.952 3.757 1.00 54.13 H new ATOM 0 HB2 MET A 109 -1.483 -12.309 3.402 1.00 30.14 H new ATOM 0 HB3 MET A 109 -2.217 -10.736 3.648 1.00 30.14 H new ATOM 0 HG2 MET A 109 -2.431 -13.125 5.513 1.00 62.24 H new ATOM 0 HG3 MET A 109 -1.453 -11.694 5.772 1.00 62.24 H new ATOM 0 HE1 MET A 109 -3.838 -8.957 6.816 1.00 34.52 H new ATOM 0 HE2 MET A 109 -2.395 -9.794 7.435 1.00 34.52 H new ATOM 0 HE3 MET A 109 -2.468 -9.289 5.730 1.00 34.52 H new ATOM 1691 N TYR A 110 -4.204 -10.423 1.657 1.00 21.11 N ATOM 1692 CA TYR A 110 -4.976 -9.262 1.229 1.00 25.33 C ATOM 1693 C TYR A 110 -6.430 -9.641 0.969 1.00 14.01 C ATOM 1694 O TYR A 110 -7.347 -8.880 1.281 1.00 62.54 O ATOM 1695 CB TYR A 110 -4.362 -8.653 -0.032 1.00 51.34 C ATOM 1696 CG TYR A 110 -4.795 -7.227 -0.288 1.00 4.42 C ATOM 1697 CD1 TYR A 110 -4.447 -6.207 0.590 1.00 42.13 C ATOM 1698 CD2 TYR A 110 -5.552 -6.899 -1.406 1.00 2.14 C ATOM 1699 CE1 TYR A 110 -4.840 -4.902 0.361 1.00 73.50 C ATOM 1700 CE2 TYR A 110 -5.948 -5.597 -1.643 1.00 73.12 C ATOM 1701 CZ TYR A 110 -5.590 -4.603 -0.757 1.00 14.40 C ATOM 1702 OH TYR A 110 -5.985 -3.305 -0.989 1.00 43.13 O ATOM 0 H TYR A 110 -3.435 -10.671 1.034 1.00 21.11 H new ATOM 0 HA TYR A 110 -4.950 -8.524 2.031 1.00 25.33 H new ATOM 0 HB2 TYR A 110 -3.276 -8.685 0.051 1.00 51.34 H new ATOM 0 HB3 TYR A 110 -4.634 -9.266 -0.891 1.00 51.34 H new ATOM 0 HD1 TYR A 110 -3.859 -6.438 1.466 1.00 42.13 H new ATOM 0 HD2 TYR A 110 -5.836 -7.675 -2.101 1.00 2.14 H new ATOM 0 HE1 TYR A 110 -4.562 -4.121 1.053 1.00 73.50 H new ATOM 0 HE2 TYR A 110 -6.535 -5.359 -2.518 1.00 73.12 H new ATOM 0 HH TYR A 110 -6.505 -3.265 -1.819 1.00 43.13 H new ATOM 1712 N SER A 111 -6.634 -10.823 0.396 1.00 1.11 N ATOM 1713 CA SER A 111 -7.976 -11.303 0.090 1.00 34.14 C ATOM 1714 C SER A 111 -8.637 -11.896 1.331 1.00 21.32 C ATOM 1715 O SER A 111 -9.802 -11.622 1.618 1.00 42.24 O ATOM 1716 CB SER A 111 -7.925 -12.350 -1.024 1.00 30.22 C ATOM 1717 OG SER A 111 -8.960 -13.307 -0.873 1.00 43.40 O ATOM 0 H SER A 111 -5.887 -11.466 0.134 1.00 1.11 H new ATOM 0 HA SER A 111 -8.571 -10.454 -0.247 1.00 34.14 H new ATOM 0 HB2 SER A 111 -8.018 -11.859 -1.993 1.00 30.22 H new ATOM 0 HB3 SER A 111 -6.957 -12.851 -1.012 1.00 30.22 H new ATOM 0 HG SER A 111 -8.906 -13.964 -1.598 1.00 43.40 H new ATOM 1723 N GLN A 112 -7.883 -12.711 2.063 1.00 53.32 N ATOM 1724 CA GLN A 112 -8.395 -13.344 3.272 1.00 14.45 C ATOM 1725 C GLN A 112 -8.972 -12.304 4.228 1.00 34.51 C ATOM 1726 O GLN A 112 -9.930 -12.577 4.951 1.00 0.45 O ATOM 1727 CB GLN A 112 -7.286 -14.134 3.969 1.00 50.23 C ATOM 1728 CG GLN A 112 -7.796 -15.080 5.044 1.00 42.21 C ATOM 1729 CD GLN A 112 -6.780 -16.142 5.416 1.00 1.45 C ATOM 1730 OE1 GLN A 112 -6.808 -17.255 4.892 1.00 70.30 O ATOM 1731 NE2 GLN A 112 -5.875 -15.802 6.327 1.00 43.23 N ATOM 0 H GLN A 112 -6.916 -12.948 1.840 1.00 53.32 H new ATOM 0 HA GLN A 112 -9.192 -14.029 2.983 1.00 14.45 H new ATOM 0 HB2 GLN A 112 -6.736 -14.708 3.223 1.00 50.23 H new ATOM 0 HB3 GLN A 112 -6.580 -13.435 4.417 1.00 50.23 H new ATOM 0 HG2 GLN A 112 -8.058 -14.506 5.933 1.00 42.21 H new ATOM 0 HG3 GLN A 112 -8.709 -15.562 4.695 1.00 42.21 H new ATOM 0 HE21 GLN A 112 -5.889 -14.868 6.736 1.00 43.23 H new ATOM 0 HE22 GLN A 112 -5.166 -16.475 6.618 1.00 43.23 H new ATOM 1740 N MET A 113 -8.383 -11.113 4.225 1.00 22.44 N ATOM 1741 CA MET A 113 -8.839 -10.033 5.092 1.00 34.11 C ATOM 1742 C MET A 113 -10.072 -9.351 4.507 1.00 30.01 C ATOM 1743 O MET A 113 -10.901 -8.812 5.239 1.00 74.40 O ATOM 1744 CB MET A 113 -7.723 -9.007 5.296 1.00 61.32 C ATOM 1745 CG MET A 113 -7.875 -8.187 6.567 1.00 75.25 C ATOM 1746 SD MET A 113 -8.548 -6.543 6.256 1.00 63.23 S ATOM 1747 CE MET A 113 -8.539 -5.855 7.909 1.00 25.55 C ATOM 0 H MET A 113 -7.589 -10.871 3.632 1.00 22.44 H new ATOM 0 HA MET A 113 -9.106 -10.464 6.057 1.00 34.11 H new ATOM 0 HB2 MET A 113 -6.764 -9.525 5.320 1.00 61.32 H new ATOM 0 HB3 MET A 113 -7.699 -8.333 4.440 1.00 61.32 H new ATOM 0 HG2 MET A 113 -8.527 -8.717 7.261 1.00 75.25 H new ATOM 0 HG3 MET A 113 -6.903 -8.092 7.052 1.00 75.25 H new ATOM 0 HE1 MET A 113 -8.929 -4.837 7.882 1.00 25.55 H new ATOM 0 HE2 MET A 113 -9.164 -6.466 8.561 1.00 25.55 H new ATOM 0 HE3 MET A 113 -7.519 -5.843 8.292 1.00 25.55 H new ATOM 1757 N GLY A 114 -10.185 -9.378 3.183 1.00 54.25 N ATOM 1758 CA GLY A 114 -11.320 -8.758 2.522 1.00 24.14 C ATOM 1759 C GLY A 114 -10.950 -7.460 1.832 1.00 74.33 C ATOM 1760 O GLY A 114 -11.788 -6.570 1.677 1.00 21.41 O ATOM 0 H GLY A 114 -9.512 -9.818 2.556 1.00 54.25 H new ATOM 0 HA2 GLY A 114 -11.733 -9.451 1.789 1.00 24.14 H new ATOM 0 HA3 GLY A 114 -12.103 -8.566 3.255 1.00 24.14 H new