USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 749 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 45 SER OG : rot -93:sc= 0.24 USER MOD Set 1.2: A 46 THR OG1 : rot 55:sc= 0.263 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 85:sc= 1.56 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.0077) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 56 THR OG1 : rot 153:sc= -0.179 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.114 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 156:sc= -0.113 (180deg=-0.866) USER MOD Single : A 86 THR OG1 : rot -85:sc= 0.00201 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.00946 K(o=-0.0095,f=-0.65) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 108 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.3) USER MOD Single : A 109 MET CE :methyl -143:sc= -0.433 (180deg=-1.28) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 76:sc= 0.955 USER MOD Single : A 112 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 4.604 9.099 -10.705 1.00 72.53 N ATOM 93 CA ARG A 7 5.216 8.016 -11.467 1.00 1.53 C ATOM 94 C ARG A 7 5.157 6.704 -10.690 1.00 43.23 C ATOM 95 O ARG A 7 4.642 5.701 -11.185 1.00 11.43 O ATOM 96 CB ARG A 7 6.669 8.359 -11.802 1.00 21.45 C ATOM 97 CG ARG A 7 6.820 9.612 -12.649 1.00 21.54 C ATOM 98 CD ARG A 7 8.153 9.632 -13.381 1.00 32.32 C ATOM 99 NE ARG A 7 7.986 9.490 -14.825 1.00 1.52 N ATOM 100 CZ ARG A 7 8.991 9.559 -15.691 1.00 21.32 C ATOM 101 NH1 ARG A 7 10.228 9.765 -15.261 1.00 22.43 N ATOM 102 NH2 ARG A 7 8.760 9.420 -16.990 1.00 14.30 N ATOM 0 HA ARG A 7 4.655 7.894 -12.394 1.00 1.53 H new ATOM 0 HB2 ARG A 7 7.226 8.489 -10.874 1.00 21.45 H new ATOM 0 HB3 ARG A 7 7.120 7.518 -12.329 1.00 21.45 H new ATOM 0 HG2 ARG A 7 6.006 9.664 -13.372 1.00 21.54 H new ATOM 0 HG3 ARG A 7 6.739 10.494 -12.014 1.00 21.54 H new ATOM 0 HD2 ARG A 7 8.671 10.567 -13.166 1.00 32.32 H new ATOM 0 HD3 ARG A 7 8.784 8.825 -13.008 1.00 32.32 H new ATOM 0 HE ARG A 7 7.047 9.329 -15.188 1.00 1.52 H new ATOM 0 HH11 ARG A 7 10.410 9.871 -14.263 1.00 22.43 H new ATOM 0 HH12 ARG A 7 10.998 9.818 -15.928 1.00 22.43 H new ATOM 0 HH21 ARG A 7 7.810 9.260 -17.325 1.00 14.30 H new ATOM 0 HH22 ARG A 7 9.533 9.473 -17.654 1.00 14.30 H new ATOM 116 N ASP A 8 5.689 6.719 -9.473 1.00 32.01 N ATOM 117 CA ASP A 8 5.696 5.531 -8.628 1.00 24.35 C ATOM 118 C ASP A 8 4.275 5.052 -8.350 1.00 72.24 C ATOM 119 O ASP A 8 4.046 3.868 -8.101 1.00 11.44 O ATOM 120 CB ASP A 8 6.416 5.821 -7.310 1.00 1.04 C ATOM 121 CG ASP A 8 7.799 5.201 -7.256 1.00 75.10 C ATOM 122 OD1 ASP A 8 8.539 5.313 -8.256 1.00 34.10 O ATOM 123 OD2 ASP A 8 8.141 4.604 -6.214 1.00 12.41 O ATOM 0 H ASP A 8 6.121 7.540 -9.050 1.00 32.01 H new ATOM 0 HA ASP A 8 6.228 4.742 -9.159 1.00 24.35 H new ATOM 0 HB2 ASP A 8 6.499 6.899 -7.175 1.00 1.04 H new ATOM 0 HB3 ASP A 8 5.818 5.441 -6.482 1.00 1.04 H new ATOM 128 N TRP A 9 3.325 5.979 -8.395 1.00 72.32 N ATOM 129 CA TRP A 9 1.925 5.651 -8.148 1.00 23.13 C ATOM 130 C TRP A 9 1.334 4.871 -9.317 1.00 12.22 C ATOM 131 O TRP A 9 0.940 3.714 -9.169 1.00 11.11 O ATOM 132 CB TRP A 9 1.116 6.927 -7.908 1.00 21.41 C ATOM 133 CG TRP A 9 -0.361 6.686 -7.823 1.00 42.11 C ATOM 134 CD1 TRP A 9 -1.299 7.009 -8.762 1.00 20.14 C ATOM 135 CD2 TRP A 9 -1.068 6.073 -6.740 1.00 14.32 C ATOM 136 NE1 TRP A 9 -2.547 6.634 -8.327 1.00 33.32 N ATOM 137 CE2 TRP A 9 -2.433 6.057 -7.090 1.00 22.32 C ATOM 138 CE3 TRP A 9 -0.682 5.535 -5.509 1.00 53.23 C ATOM 139 CZ2 TRP A 9 -3.409 5.524 -6.252 1.00 54.33 C ATOM 140 CZ3 TRP A 9 -1.653 5.007 -4.679 1.00 42.41 C ATOM 141 CH2 TRP A 9 -3.003 5.004 -5.054 1.00 11.35 C ATOM 0 H TRP A 9 3.498 6.963 -8.600 1.00 72.32 H new ATOM 0 HA TRP A 9 1.876 5.025 -7.257 1.00 23.13 H new ATOM 0 HB2 TRP A 9 1.454 7.395 -6.984 1.00 21.41 H new ATOM 0 HB3 TRP A 9 1.316 7.633 -8.714 1.00 21.41 H new ATOM 0 HD1 TRP A 9 -1.090 7.488 -9.707 1.00 20.14 H new ATOM 0 HE1 TRP A 9 -3.418 6.764 -8.842 1.00 33.32 H new ATOM 0 HE3 TRP A 9 0.356 5.532 -5.212 1.00 53.23 H new ATOM 0 HZ2 TRP A 9 -4.450 5.521 -6.538 1.00 54.33 H new ATOM 0 HZ3 TRP A 9 -1.366 4.590 -3.725 1.00 42.41 H new ATOM 0 HH2 TRP A 9 -3.738 4.583 -4.384 1.00 11.35 H new ATOM 152 N LYS A 10 1.274 5.511 -10.480 1.00 1.44 N ATOM 153 CA LYS A 10 0.732 4.878 -11.676 1.00 30.44 C ATOM 154 C LYS A 10 1.396 3.527 -11.924 1.00 41.23 C ATOM 155 O LYS A 10 0.739 2.567 -12.325 1.00 64.31 O ATOM 156 CB LYS A 10 0.927 5.786 -12.892 1.00 30.41 C ATOM 157 CG LYS A 10 -0.113 5.578 -13.979 1.00 33.10 C ATOM 158 CD LYS A 10 0.186 6.423 -15.206 1.00 31.11 C ATOM 159 CE LYS A 10 -1.092 6.898 -15.880 1.00 42.15 C ATOM 160 NZ LYS A 10 -0.842 7.373 -17.270 1.00 11.04 N ATOM 0 H LYS A 10 1.595 6.469 -10.619 1.00 1.44 H new ATOM 0 HA LYS A 10 -0.334 4.716 -11.520 1.00 30.44 H new ATOM 0 HB2 LYS A 10 0.898 6.826 -12.567 1.00 30.41 H new ATOM 0 HB3 LYS A 10 1.918 5.611 -13.311 1.00 30.41 H new ATOM 0 HG2 LYS A 10 -0.142 4.525 -14.259 1.00 33.10 H new ATOM 0 HG3 LYS A 10 -1.100 5.832 -13.593 1.00 33.10 H new ATOM 0 HD2 LYS A 10 0.789 7.284 -14.918 1.00 31.11 H new ATOM 0 HD3 LYS A 10 0.778 5.842 -15.914 1.00 31.11 H new ATOM 0 HE2 LYS A 10 -1.817 6.084 -15.899 1.00 42.15 H new ATOM 0 HE3 LYS A 10 -1.534 7.704 -15.294 1.00 42.15 H new ATOM 0 HZ1 LYS A 10 -1.737 7.688 -17.695 1.00 11.04 H new ATOM 0 HZ2 LYS A 10 -0.170 8.166 -17.250 1.00 11.04 H new ATOM 0 HZ3 LYS A 10 -0.444 6.596 -17.836 1.00 11.04 H new ATOM 174 N MET A 11 2.701 3.461 -11.683 1.00 3.33 N ATOM 175 CA MET A 11 3.453 2.227 -11.878 1.00 50.03 C ATOM 176 C MET A 11 3.004 1.155 -10.891 1.00 74.40 C ATOM 177 O MET A 11 2.765 0.009 -11.271 1.00 61.31 O ATOM 178 CB MET A 11 4.952 2.487 -11.719 1.00 42.14 C ATOM 179 CG MET A 11 5.811 1.713 -12.706 1.00 42.10 C ATOM 180 SD MET A 11 7.535 2.242 -12.691 1.00 12.43 S ATOM 181 CE MET A 11 8.279 1.004 -13.749 1.00 72.32 C ATOM 0 H MET A 11 3.260 4.248 -11.352 1.00 3.33 H new ATOM 0 HA MET A 11 3.259 1.869 -12.889 1.00 50.03 H new ATOM 0 HB2 MET A 11 5.143 3.553 -11.842 1.00 42.14 H new ATOM 0 HB3 MET A 11 5.252 2.225 -10.705 1.00 42.14 H new ATOM 0 HG2 MET A 11 5.759 0.650 -12.471 1.00 42.10 H new ATOM 0 HG3 MET A 11 5.406 1.838 -13.710 1.00 42.10 H new ATOM 0 HE1 MET A 11 9.348 1.196 -13.838 1.00 72.32 H new ATOM 0 HE2 MET A 11 8.123 0.015 -13.317 1.00 72.32 H new ATOM 0 HE3 MET A 11 7.819 1.045 -14.736 1.00 72.32 H new ATOM 191 N ALA A 12 2.891 1.534 -9.622 1.00 54.45 N ATOM 192 CA ALA A 12 2.468 0.605 -8.582 1.00 3.43 C ATOM 193 C ALA A 12 1.121 -0.023 -8.921 1.00 30.34 C ATOM 194 O ALA A 12 0.862 -1.178 -8.582 1.00 32.43 O ATOM 195 CB ALA A 12 2.399 1.315 -7.238 1.00 35.05 C ATOM 0 H ALA A 12 3.087 2.478 -9.290 1.00 54.45 H new ATOM 0 HA ALA A 12 3.206 -0.195 -8.521 1.00 3.43 H new ATOM 0 HB1 ALA A 12 2.082 0.610 -6.470 1.00 35.05 H new ATOM 0 HB2 ALA A 12 3.383 1.710 -6.984 1.00 35.05 H new ATOM 0 HB3 ALA A 12 1.683 2.135 -7.296 1.00 35.05 H new ATOM 201 N ILE A 13 0.267 0.744 -9.590 1.00 61.31 N ATOM 202 CA ILE A 13 -1.053 0.261 -9.975 1.00 32.34 C ATOM 203 C ILE A 13 -0.955 -0.788 -11.077 1.00 53.15 C ATOM 204 O ILE A 13 -1.494 -1.888 -10.953 1.00 64.23 O ATOM 205 CB ILE A 13 -1.956 1.412 -10.455 1.00 40.13 C ATOM 206 CG1 ILE A 13 -2.131 2.450 -9.345 1.00 4.03 C ATOM 207 CG2 ILE A 13 -3.307 0.875 -10.903 1.00 31.45 C ATOM 208 CD1 ILE A 13 -2.864 1.920 -8.132 1.00 41.34 C ATOM 0 H ILE A 13 0.466 1.703 -9.877 1.00 61.31 H new ATOM 0 HA ILE A 13 -1.495 -0.190 -9.087 1.00 32.34 H new ATOM 0 HB ILE A 13 -1.479 1.896 -11.307 1.00 40.13 H new ATOM 0 HG12 ILE A 13 -1.149 2.810 -9.038 1.00 4.03 H new ATOM 0 HG13 ILE A 13 -2.675 3.307 -9.742 1.00 4.03 H new ATOM 0 HG21 ILE A 13 -3.934 1.701 -11.239 1.00 31.45 H new ATOM 0 HG22 ILE A 13 -3.165 0.170 -11.722 1.00 31.45 H new ATOM 0 HG23 ILE A 13 -3.792 0.368 -10.069 1.00 31.45 H new ATOM 0 HD11 ILE A 13 -2.952 2.710 -7.386 1.00 41.34 H new ATOM 0 HD12 ILE A 13 -3.859 1.586 -8.425 1.00 41.34 H new ATOM 0 HD13 ILE A 13 -2.310 1.082 -7.710 1.00 41.34 H new ATOM 220 N LYS A 14 -0.263 -0.440 -12.157 1.00 23.42 N ATOM 221 CA LYS A 14 -0.090 -1.352 -13.282 1.00 11.41 C ATOM 222 C LYS A 14 0.554 -2.658 -12.830 1.00 20.31 C ATOM 223 O LYS A 14 0.369 -3.702 -13.457 1.00 3.42 O ATOM 224 CB LYS A 14 0.767 -0.697 -14.368 1.00 31.21 C ATOM 225 CG LYS A 14 -0.044 -0.098 -15.504 1.00 0.33 C ATOM 226 CD LYS A 14 0.284 1.372 -15.708 1.00 64.33 C ATOM 227 CE LYS A 14 1.330 1.563 -16.797 1.00 33.14 C ATOM 228 NZ LYS A 14 2.661 1.918 -16.231 1.00 54.31 N ATOM 0 H LYS A 14 0.187 0.467 -12.277 1.00 23.42 H new ATOM 0 HA LYS A 14 -1.075 -1.576 -13.691 1.00 11.41 H new ATOM 0 HB2 LYS A 14 1.376 0.086 -13.916 1.00 31.21 H new ATOM 0 HB3 LYS A 14 1.453 -1.440 -14.775 1.00 31.21 H new ATOM 0 HG2 LYS A 14 0.156 -0.647 -16.424 1.00 0.33 H new ATOM 0 HG3 LYS A 14 -1.107 -0.208 -15.291 1.00 0.33 H new ATOM 0 HD2 LYS A 14 -0.623 1.915 -15.974 1.00 64.33 H new ATOM 0 HD3 LYS A 14 0.648 1.798 -14.773 1.00 64.33 H new ATOM 0 HE2 LYS A 14 1.417 0.647 -17.382 1.00 33.14 H new ATOM 0 HE3 LYS A 14 1.004 2.348 -17.480 1.00 33.14 H new ATOM 0 HZ1 LYS A 14 3.346 2.040 -17.004 1.00 54.31 H new ATOM 0 HZ2 LYS A 14 2.584 2.805 -15.694 1.00 54.31 H new ATOM 0 HZ3 LYS A 14 2.984 1.157 -15.599 1.00 54.31 H new ATOM 242 N ARG A 15 1.309 -2.594 -11.738 1.00 11.00 N ATOM 243 CA ARG A 15 1.980 -3.772 -11.202 1.00 74.44 C ATOM 244 C ARG A 15 0.994 -4.666 -10.455 1.00 23.12 C ATOM 245 O ARG A 15 0.722 -5.792 -10.872 1.00 64.44 O ATOM 246 CB ARG A 15 3.118 -3.357 -10.268 1.00 71.25 C ATOM 247 CG ARG A 15 4.499 -3.519 -10.882 1.00 60.12 C ATOM 248 CD ARG A 15 4.653 -2.676 -12.138 1.00 51.50 C ATOM 249 NE ARG A 15 4.970 -3.489 -13.309 1.00 33.34 N ATOM 250 CZ ARG A 15 5.219 -2.982 -14.511 1.00 34.02 C ATOM 251 NH1 ARG A 15 5.188 -1.670 -14.700 1.00 22.04 N ATOM 252 NH2 ARG A 15 5.499 -3.788 -15.527 1.00 43.31 N ATOM 0 H ARG A 15 1.471 -1.738 -11.207 1.00 11.00 H new ATOM 0 HA ARG A 15 2.394 -4.336 -12.038 1.00 74.44 H new ATOM 0 HB2 ARG A 15 2.978 -2.315 -9.979 1.00 71.25 H new ATOM 0 HB3 ARG A 15 3.063 -3.951 -9.356 1.00 71.25 H new ATOM 0 HG2 ARG A 15 5.258 -3.231 -10.154 1.00 60.12 H new ATOM 0 HG3 ARG A 15 4.670 -4.568 -11.123 1.00 60.12 H new ATOM 0 HD2 ARG A 15 3.731 -2.124 -12.319 1.00 51.50 H new ATOM 0 HD3 ARG A 15 5.441 -1.939 -11.985 1.00 51.50 H new ATOM 0 HE ARG A 15 5.002 -4.502 -13.198 1.00 33.34 H new ATOM 0 HH11 ARG A 15 4.973 -1.048 -13.921 1.00 22.04 H new ATOM 0 HH12 ARG A 15 5.380 -1.283 -15.624 1.00 22.04 H new ATOM 0 HH21 ARG A 15 5.523 -4.798 -15.385 1.00 43.31 H new ATOM 0 HH22 ARG A 15 5.690 -3.398 -16.450 1.00 43.31 H new ATOM 266 N CYS A 16 0.464 -4.157 -9.349 1.00 12.24 N ATOM 267 CA CYS A 16 -0.490 -4.909 -8.542 1.00 34.23 C ATOM 268 C CYS A 16 -1.716 -5.291 -9.365 1.00 34.02 C ATOM 269 O CYS A 16 -2.432 -6.234 -9.029 1.00 75.43 O ATOM 270 CB CYS A 16 -0.915 -4.091 -7.321 1.00 40.15 C ATOM 271 SG CYS A 16 -1.853 -2.598 -7.724 1.00 25.04 S ATOM 0 H CYS A 16 0.679 -3.227 -8.990 1.00 12.24 H new ATOM 0 HA CYS A 16 -0.001 -5.823 -8.205 1.00 34.23 H new ATOM 0 HB2 CYS A 16 -1.518 -4.721 -6.667 1.00 40.15 H new ATOM 0 HB3 CYS A 16 -0.025 -3.808 -6.759 1.00 40.15 H new ATOM 0 HG CYS A 16 -3.109 -2.901 -7.871 1.00 25.04 H new ATOM 277 N SER A 17 -1.953 -4.551 -10.443 1.00 41.40 N ATOM 278 CA SER A 17 -3.096 -4.808 -11.311 1.00 62.04 C ATOM 279 C SER A 17 -3.111 -6.262 -11.772 1.00 71.33 C ATOM 280 O SER A 17 -4.168 -6.824 -12.056 1.00 54.43 O ATOM 281 CB SER A 17 -3.061 -3.877 -12.525 1.00 11.12 C ATOM 282 OG SER A 17 -4.007 -4.276 -13.501 1.00 70.54 O ATOM 0 H SER A 17 -1.368 -3.768 -10.736 1.00 41.40 H new ATOM 0 HA SER A 17 -4.005 -4.616 -10.741 1.00 62.04 H new ATOM 0 HB2 SER A 17 -3.269 -2.855 -12.209 1.00 11.12 H new ATOM 0 HB3 SER A 17 -2.062 -3.879 -12.960 1.00 11.12 H new ATOM 0 HG SER A 17 -3.966 -3.664 -14.266 1.00 70.54 H new ATOM 288 N ASN A 18 -1.929 -6.866 -11.844 1.00 34.30 N ATOM 289 CA ASN A 18 -1.806 -8.255 -12.271 1.00 25.31 C ATOM 290 C ASN A 18 -1.742 -9.191 -11.067 1.00 52.23 C ATOM 291 O ASN A 18 -1.015 -10.184 -11.077 1.00 3.12 O ATOM 292 CB ASN A 18 -0.557 -8.435 -13.137 1.00 31.10 C ATOM 293 CG ASN A 18 -0.750 -7.909 -14.546 1.00 74.22 C ATOM 294 OD1 ASN A 18 0.008 -7.059 -15.013 1.00 14.43 O ATOM 295 ND2 ASN A 18 -1.770 -8.414 -15.231 1.00 64.44 N ATOM 0 H ASN A 18 -1.044 -6.416 -11.612 1.00 34.30 H new ATOM 0 HA ASN A 18 -2.688 -8.508 -12.859 1.00 25.31 H new ATOM 0 HB2 ASN A 18 0.282 -7.919 -12.671 1.00 31.10 H new ATOM 0 HB3 ASN A 18 -0.297 -9.493 -13.179 1.00 31.10 H new ATOM 0 HD21 ASN A 18 -1.950 -8.099 -16.184 1.00 64.44 H new ATOM 0 HD22 ASN A 18 -2.373 -9.117 -14.804 1.00 64.44 H new ATOM 302 N VAL A 19 -2.510 -8.867 -10.032 1.00 1.43 N ATOM 303 CA VAL A 19 -2.543 -9.678 -8.821 1.00 21.21 C ATOM 304 C VAL A 19 -3.918 -10.303 -8.615 1.00 53.04 C ATOM 305 O VAL A 19 -4.941 -9.690 -8.919 1.00 73.34 O ATOM 306 CB VAL A 19 -2.178 -8.846 -7.577 1.00 53.12 C ATOM 307 CG1 VAL A 19 -2.259 -9.699 -6.321 1.00 33.42 C ATOM 308 CG2 VAL A 19 -0.792 -8.239 -7.731 1.00 1.33 C ATOM 0 H VAL A 19 -3.118 -8.048 -10.008 1.00 1.43 H new ATOM 0 HA VAL A 19 -1.803 -10.468 -8.950 1.00 21.21 H new ATOM 0 HB VAL A 19 -2.897 -8.033 -7.481 1.00 53.12 H new ATOM 0 HG11 VAL A 19 -1.998 -9.094 -5.453 1.00 33.42 H new ATOM 0 HG12 VAL A 19 -3.273 -10.081 -6.205 1.00 33.42 H new ATOM 0 HG13 VAL A 19 -1.564 -10.535 -6.403 1.00 33.42 H new ATOM 0 HG21 VAL A 19 -0.550 -7.654 -6.843 1.00 1.33 H new ATOM 0 HG22 VAL A 19 -0.058 -9.035 -7.852 1.00 1.33 H new ATOM 0 HG23 VAL A 19 -0.774 -7.592 -8.608 1.00 1.33 H new ATOM 318 N ALA A 20 -3.935 -11.526 -8.097 1.00 22.53 N ATOM 319 CA ALA A 20 -5.185 -12.234 -7.848 1.00 3.11 C ATOM 320 C ALA A 20 -5.371 -12.512 -6.360 1.00 54.21 C ATOM 321 O ALA A 20 -4.400 -12.685 -5.624 1.00 20.20 O ATOM 322 CB ALA A 20 -5.222 -13.533 -8.638 1.00 70.43 C ATOM 0 H ALA A 20 -3.097 -12.048 -7.841 1.00 22.53 H new ATOM 0 HA ALA A 20 -6.006 -11.598 -8.178 1.00 3.11 H new ATOM 0 HB1 ALA A 20 -6.161 -14.051 -8.442 1.00 70.43 H new ATOM 0 HB2 ALA A 20 -5.144 -13.314 -9.703 1.00 70.43 H new ATOM 0 HB3 ALA A 20 -4.388 -14.167 -8.336 1.00 70.43 H new ATOM 328 N VAL A 21 -6.626 -12.552 -5.923 1.00 72.32 N ATOM 329 CA VAL A 21 -6.940 -12.810 -4.523 1.00 12.41 C ATOM 330 C VAL A 21 -6.342 -14.133 -4.060 1.00 23.03 C ATOM 331 O VAL A 21 -6.046 -14.313 -2.879 1.00 72.41 O ATOM 332 CB VAL A 21 -8.462 -12.835 -4.284 1.00 64.44 C ATOM 333 CG1 VAL A 21 -8.768 -12.932 -2.798 1.00 3.54 C ATOM 334 CG2 VAL A 21 -9.117 -11.605 -4.894 1.00 21.14 C ATOM 0 H VAL A 21 -7.442 -12.409 -6.519 1.00 72.32 H new ATOM 0 HA VAL A 21 -6.503 -11.996 -3.946 1.00 12.41 H new ATOM 0 HB VAL A 21 -8.875 -13.718 -4.773 1.00 64.44 H new ATOM 0 HG11 VAL A 21 -9.848 -12.948 -2.649 1.00 3.54 H new ATOM 0 HG12 VAL A 21 -8.332 -13.847 -2.396 1.00 3.54 H new ATOM 0 HG13 VAL A 21 -8.344 -12.071 -2.282 1.00 3.54 H new ATOM 0 HG21 VAL A 21 -10.192 -11.639 -4.716 1.00 21.14 H new ATOM 0 HG22 VAL A 21 -8.702 -10.707 -4.437 1.00 21.14 H new ATOM 0 HG23 VAL A 21 -8.928 -11.586 -5.967 1.00 21.14 H new ATOM 344 N GLY A 22 -6.165 -15.057 -4.999 1.00 22.51 N ATOM 345 CA GLY A 22 -5.602 -16.353 -4.668 1.00 23.34 C ATOM 346 C GLY A 22 -4.856 -16.976 -5.831 1.00 71.12 C ATOM 347 O GLY A 22 -4.608 -16.319 -6.842 1.00 44.21 O ATOM 0 H GLY A 22 -6.401 -14.931 -5.983 1.00 22.51 H new ATOM 0 HA2 GLY A 22 -4.924 -16.245 -3.821 1.00 23.34 H new ATOM 0 HA3 GLY A 22 -6.402 -17.023 -4.353 1.00 23.34 H new ATOM 351 N VAL A 23 -4.496 -18.248 -5.689 1.00 11.21 N ATOM 352 CA VAL A 23 -3.774 -18.960 -6.736 1.00 44.43 C ATOM 353 C VAL A 23 -4.717 -19.408 -7.847 1.00 23.21 C ATOM 354 O VAL A 23 -4.312 -19.550 -9.000 1.00 1.10 O ATOM 355 CB VAL A 23 -3.038 -20.191 -6.174 1.00 13.52 C ATOM 356 CG1 VAL A 23 -2.063 -19.777 -5.082 1.00 34.52 C ATOM 357 CG2 VAL A 23 -4.036 -21.213 -5.651 1.00 25.33 C ATOM 0 H VAL A 23 -4.693 -18.806 -4.858 1.00 11.21 H new ATOM 0 HA VAL A 23 -3.041 -18.264 -7.144 1.00 44.43 H new ATOM 0 HB VAL A 23 -2.468 -20.653 -6.980 1.00 13.52 H new ATOM 0 HG11 VAL A 23 -1.552 -20.659 -4.697 1.00 34.52 H new ATOM 0 HG12 VAL A 23 -1.329 -19.084 -5.493 1.00 34.52 H new ATOM 0 HG13 VAL A 23 -2.608 -19.291 -4.273 1.00 34.52 H new ATOM 0 HG21 VAL A 23 -3.500 -22.077 -5.257 1.00 25.33 H new ATOM 0 HG22 VAL A 23 -4.634 -20.765 -4.858 1.00 25.33 H new ATOM 0 HG23 VAL A 23 -4.690 -21.531 -6.463 1.00 25.33 H new ATOM 436 N LYS A 29 -9.366 -11.519 -9.845 1.00 71.22 N ATOM 437 CA LYS A 29 -8.282 -10.556 -9.996 1.00 52.31 C ATOM 438 C LYS A 29 -8.728 -9.163 -9.563 1.00 11.23 C ATOM 439 O LYS A 29 -9.916 -8.842 -9.595 1.00 75.51 O ATOM 440 CB LYS A 29 -7.803 -10.520 -11.449 1.00 25.11 C ATOM 441 CG LYS A 29 -8.895 -10.164 -12.442 1.00 35.22 C ATOM 442 CD LYS A 29 -8.320 -9.565 -13.714 1.00 3.32 C ATOM 443 CE LYS A 29 -9.418 -9.093 -14.654 1.00 41.23 C ATOM 444 NZ LYS A 29 -9.956 -10.208 -15.482 1.00 14.41 N ATOM 0 HA LYS A 29 -7.458 -10.871 -9.356 1.00 52.31 H new ATOM 0 HB2 LYS A 29 -6.993 -9.796 -11.538 1.00 25.11 H new ATOM 0 HB3 LYS A 29 -7.390 -11.494 -11.710 1.00 25.11 H new ATOM 0 HG2 LYS A 29 -9.470 -11.057 -12.687 1.00 35.22 H new ATOM 0 HG3 LYS A 29 -9.586 -9.455 -11.985 1.00 35.22 H new ATOM 0 HD2 LYS A 29 -7.671 -8.727 -13.461 1.00 3.32 H new ATOM 0 HD3 LYS A 29 -7.701 -10.307 -14.219 1.00 3.32 H new ATOM 0 HE2 LYS A 29 -10.227 -8.648 -14.074 1.00 41.23 H new ATOM 0 HE3 LYS A 29 -9.027 -8.312 -15.306 1.00 41.23 H new ATOM 0 HZ1 LYS A 29 -10.702 -9.846 -16.109 1.00 14.41 H new ATOM 0 HZ2 LYS A 29 -9.190 -10.616 -16.055 1.00 14.41 H new ATOM 0 HZ3 LYS A 29 -10.352 -10.942 -14.861 1.00 14.41 H new ATOM 458 N PHE A 30 -7.768 -8.338 -9.159 1.00 23.03 N ATOM 459 CA PHE A 30 -8.062 -6.979 -8.719 1.00 42.04 C ATOM 460 C PHE A 30 -7.633 -5.962 -9.773 1.00 61.01 C ATOM 461 O PHE A 30 -7.158 -6.328 -10.847 1.00 43.43 O ATOM 462 CB PHE A 30 -7.357 -6.685 -7.394 1.00 4.03 C ATOM 463 CG PHE A 30 -8.040 -7.294 -6.203 1.00 55.31 C ATOM 464 CD1 PHE A 30 -9.398 -7.109 -5.998 1.00 12.53 C ATOM 465 CD2 PHE A 30 -7.326 -8.052 -5.290 1.00 2.45 C ATOM 466 CE1 PHE A 30 -10.030 -7.667 -4.902 1.00 44.05 C ATOM 467 CE2 PHE A 30 -7.952 -8.613 -4.193 1.00 0.15 C ATOM 468 CZ PHE A 30 -9.306 -8.421 -3.999 1.00 61.14 C ATOM 0 H PHE A 30 -6.779 -8.587 -9.127 1.00 23.03 H new ATOM 0 HA PHE A 30 -9.139 -6.895 -8.575 1.00 42.04 H new ATOM 0 HB2 PHE A 30 -6.334 -7.057 -7.446 1.00 4.03 H new ATOM 0 HB3 PHE A 30 -7.297 -5.606 -7.255 1.00 4.03 H new ATOM 0 HD1 PHE A 30 -9.969 -6.522 -6.702 1.00 12.53 H new ATOM 0 HD2 PHE A 30 -6.267 -8.207 -5.437 1.00 2.45 H new ATOM 0 HE1 PHE A 30 -11.088 -7.513 -4.752 1.00 44.05 H new ATOM 0 HE2 PHE A 30 -7.383 -9.201 -3.488 1.00 0.15 H new ATOM 0 HZ PHE A 30 -9.798 -8.859 -3.143 1.00 61.14 H new ATOM 478 N GLY A 31 -7.805 -4.682 -9.457 1.00 33.14 N ATOM 479 CA GLY A 31 -7.432 -3.631 -10.386 1.00 32.54 C ATOM 480 C GLY A 31 -7.398 -2.264 -9.731 1.00 62.55 C ATOM 481 O GLY A 31 -7.692 -2.130 -8.544 1.00 61.52 O ATOM 0 H GLY A 31 -8.196 -4.354 -8.574 1.00 33.14 H new ATOM 0 HA2 GLY A 31 -6.451 -3.853 -10.807 1.00 32.54 H new ATOM 0 HA3 GLY A 31 -8.139 -3.616 -11.216 1.00 32.54 H new ATOM 485 N GLU A 32 -7.036 -1.248 -10.508 1.00 11.43 N ATOM 486 CA GLU A 32 -6.962 0.115 -9.995 1.00 10.43 C ATOM 487 C GLU A 32 -8.262 0.506 -9.298 1.00 33.22 C ATOM 488 O GLU A 32 -8.263 1.311 -8.368 1.00 14.21 O ATOM 489 CB GLU A 32 -6.665 1.096 -11.131 1.00 11.21 C ATOM 490 CG GLU A 32 -6.413 2.518 -10.658 1.00 31.25 C ATOM 491 CD GLU A 32 -7.409 3.508 -11.230 1.00 4.34 C ATOM 492 OE1 GLU A 32 -8.593 3.142 -11.377 1.00 12.03 O ATOM 493 OE2 GLU A 32 -7.002 4.650 -11.530 1.00 52.51 O ATOM 0 H GLU A 32 -6.790 -1.343 -11.493 1.00 11.43 H new ATOM 0 HA GLU A 32 -6.152 0.158 -9.266 1.00 10.43 H new ATOM 0 HB2 GLU A 32 -5.793 0.746 -11.683 1.00 11.21 H new ATOM 0 HB3 GLU A 32 -7.504 1.097 -11.827 1.00 11.21 H new ATOM 0 HG2 GLU A 32 -6.460 2.549 -9.569 1.00 31.25 H new ATOM 0 HG3 GLU A 32 -5.404 2.818 -10.942 1.00 31.25 H new ATOM 500 N GLY A 33 -9.369 -0.072 -9.756 1.00 10.41 N ATOM 501 CA GLY A 33 -10.661 0.228 -9.166 1.00 42.44 C ATOM 502 C GLY A 33 -10.809 -0.345 -7.771 1.00 65.10 C ATOM 503 O GLY A 33 -11.023 0.392 -6.810 1.00 31.24 O ATOM 0 H GLY A 33 -9.394 -0.742 -10.525 1.00 10.41 H new ATOM 0 HA2 GLY A 33 -10.797 1.309 -9.128 1.00 42.44 H new ATOM 0 HA3 GLY A 33 -11.450 -0.170 -9.804 1.00 42.44 H new ATOM 507 N ASN A 34 -10.695 -1.665 -7.660 1.00 50.32 N ATOM 508 CA ASN A 34 -10.820 -2.337 -6.372 1.00 3.00 C ATOM 509 C ASN A 34 -9.713 -1.896 -5.419 1.00 63.50 C ATOM 510 O ASN A 34 -9.965 -1.601 -4.251 1.00 15.01 O ATOM 511 CB ASN A 34 -10.773 -3.855 -6.559 1.00 12.22 C ATOM 512 CG ASN A 34 -12.146 -4.449 -6.805 1.00 34.41 C ATOM 513 OD1 ASN A 34 -12.521 -4.723 -7.945 1.00 72.41 O ATOM 514 ND2 ASN A 34 -12.904 -4.652 -5.733 1.00 52.52 N ATOM 0 H ASN A 34 -10.516 -2.290 -8.446 1.00 50.32 H new ATOM 0 HA ASN A 34 -11.781 -2.061 -5.937 1.00 3.00 H new ATOM 0 HB2 ASN A 34 -10.120 -4.095 -7.398 1.00 12.22 H new ATOM 0 HB3 ASN A 34 -10.335 -4.314 -5.673 1.00 12.22 H new ATOM 0 HD21 ASN A 34 -13.837 -5.050 -5.836 1.00 52.52 H new ATOM 0 HD22 ASN A 34 -12.552 -4.410 -4.807 1.00 52.52 H new ATOM 521 N PHE A 35 -8.485 -1.854 -5.926 1.00 71.41 N ATOM 522 CA PHE A 35 -7.339 -1.450 -5.121 1.00 24.34 C ATOM 523 C PHE A 35 -7.562 -0.070 -4.510 1.00 52.34 C ATOM 524 O PHE A 35 -7.329 0.140 -3.320 1.00 30.42 O ATOM 525 CB PHE A 35 -6.067 -1.444 -5.972 1.00 31.44 C ATOM 526 CG PHE A 35 -5.523 -2.817 -6.246 1.00 21.32 C ATOM 527 CD1 PHE A 35 -5.341 -3.724 -5.214 1.00 0.31 C ATOM 528 CD2 PHE A 35 -5.193 -3.201 -7.536 1.00 22.14 C ATOM 529 CE1 PHE A 35 -4.841 -4.988 -5.463 1.00 3.13 C ATOM 530 CE2 PHE A 35 -4.693 -4.464 -7.791 1.00 23.04 C ATOM 531 CZ PHE A 35 -4.515 -5.358 -6.753 1.00 32.12 C ATOM 0 H PHE A 35 -8.258 -2.095 -6.891 1.00 71.41 H new ATOM 0 HA PHE A 35 -7.223 -2.171 -4.312 1.00 24.34 H new ATOM 0 HB2 PHE A 35 -6.276 -0.949 -6.920 1.00 31.44 H new ATOM 0 HB3 PHE A 35 -5.303 -0.854 -5.466 1.00 31.44 H new ATOM 0 HD1 PHE A 35 -5.593 -3.440 -4.203 1.00 0.31 H new ATOM 0 HD2 PHE A 35 -5.328 -2.506 -8.351 1.00 22.14 H new ATOM 0 HE1 PHE A 35 -4.705 -5.686 -4.650 1.00 3.13 H new ATOM 0 HE2 PHE A 35 -4.442 -4.752 -8.801 1.00 23.04 H new ATOM 0 HZ PHE A 35 -4.122 -6.344 -6.950 1.00 32.12 H new ATOM 541 N ARG A 36 -8.015 0.869 -5.335 1.00 61.13 N ATOM 542 CA ARG A 36 -8.268 2.230 -4.878 1.00 74.14 C ATOM 543 C ARG A 36 -9.299 2.243 -3.753 1.00 72.34 C ATOM 544 O ARG A 36 -9.122 2.925 -2.744 1.00 54.12 O ATOM 545 CB ARG A 36 -8.755 3.098 -6.040 1.00 42.31 C ATOM 546 CG ARG A 36 -7.628 3.705 -6.861 1.00 31.53 C ATOM 547 CD ARG A 36 -8.164 4.508 -8.035 1.00 13.31 C ATOM 548 NE ARG A 36 -8.963 5.650 -7.597 1.00 41.15 N ATOM 549 CZ ARG A 36 -8.438 6.794 -7.173 1.00 54.54 C ATOM 550 NH1 ARG A 36 -7.122 6.949 -7.130 1.00 72.43 N ATOM 551 NH2 ARG A 36 -9.231 7.788 -6.792 1.00 30.12 N ATOM 0 H ARG A 36 -8.214 0.712 -6.323 1.00 61.13 H new ATOM 0 HA ARG A 36 -7.333 2.638 -4.495 1.00 74.14 H new ATOM 0 HB2 ARG A 36 -9.385 2.495 -6.694 1.00 42.31 H new ATOM 0 HB3 ARG A 36 -9.379 3.900 -5.646 1.00 42.31 H new ATOM 0 HG2 ARG A 36 -7.020 4.349 -6.226 1.00 31.53 H new ATOM 0 HG3 ARG A 36 -6.976 2.912 -7.228 1.00 31.53 H new ATOM 0 HD2 ARG A 36 -7.331 4.860 -8.644 1.00 13.31 H new ATOM 0 HD3 ARG A 36 -8.772 3.862 -8.669 1.00 13.31 H new ATOM 0 HE ARG A 36 -9.979 5.564 -7.618 1.00 41.15 H new ATOM 0 HH11 ARG A 36 -6.509 6.188 -7.423 1.00 72.43 H new ATOM 0 HH12 ARG A 36 -6.723 7.829 -6.804 1.00 72.43 H new ATOM 0 HH21 ARG A 36 -10.244 7.673 -6.825 1.00 30.12 H new ATOM 0 HH22 ARG A 36 -8.827 8.666 -6.466 1.00 30.12 H new ATOM 565 N TRP A 37 -10.375 1.485 -3.935 1.00 65.11 N ATOM 566 CA TRP A 37 -11.434 1.410 -2.936 1.00 30.35 C ATOM 567 C TRP A 37 -10.871 1.015 -1.575 1.00 14.04 C ATOM 568 O TRP A 37 -11.238 1.590 -0.551 1.00 13.54 O ATOM 569 CB TRP A 37 -12.503 0.405 -3.370 1.00 42.50 C ATOM 570 CG TRP A 37 -13.534 0.141 -2.315 1.00 2.43 C ATOM 571 CD1 TRP A 37 -14.743 0.762 -2.176 1.00 64.44 C ATOM 572 CD2 TRP A 37 -13.445 -0.811 -1.249 1.00 71.14 C ATOM 573 NE1 TRP A 37 -15.411 0.252 -1.089 1.00 42.12 N ATOM 574 CE2 TRP A 37 -14.637 -0.715 -0.504 1.00 44.41 C ATOM 575 CE3 TRP A 37 -12.476 -1.737 -0.854 1.00 35.33 C ATOM 576 CZ2 TRP A 37 -14.882 -1.509 0.613 1.00 2.40 C ATOM 577 CZ3 TRP A 37 -12.721 -2.524 0.255 1.00 32.44 C ATOM 578 CH2 TRP A 37 -13.916 -2.407 0.978 1.00 51.21 C ATOM 0 H TRP A 37 -10.536 0.914 -4.765 1.00 65.11 H new ATOM 0 HA TRP A 37 -11.887 2.397 -2.849 1.00 30.35 H new ATOM 0 HB2 TRP A 37 -12.998 0.777 -4.267 1.00 42.50 H new ATOM 0 HB3 TRP A 37 -12.020 -0.534 -3.639 1.00 42.50 H new ATOM 0 HD1 TRP A 37 -15.118 1.539 -2.825 1.00 64.44 H new ATOM 0 HE1 TRP A 37 -16.334 0.546 -0.769 1.00 42.12 H new ATOM 0 HE3 TRP A 37 -11.553 -1.836 -1.405 1.00 35.33 H new ATOM 0 HZ2 TRP A 37 -15.802 -1.419 1.172 1.00 2.40 H new ATOM 0 HZ3 TRP A 37 -11.978 -3.242 0.570 1.00 32.44 H new ATOM 0 HH2 TRP A 37 -14.078 -3.038 1.840 1.00 51.21 H new ATOM 589 N ALA A 38 -9.979 0.030 -1.571 1.00 3.51 N ATOM 590 CA ALA A 38 -9.364 -0.439 -0.335 1.00 51.14 C ATOM 591 C ALA A 38 -8.485 0.642 0.285 1.00 31.44 C ATOM 592 O ALA A 38 -8.613 0.954 1.470 1.00 64.23 O ATOM 593 CB ALA A 38 -8.551 -1.698 -0.596 1.00 31.44 C ATOM 0 H ALA A 38 -9.666 -0.459 -2.410 1.00 3.51 H new ATOM 0 HA ALA A 38 -10.159 -0.673 0.372 1.00 51.14 H new ATOM 0 HB1 ALA A 38 -8.097 -2.038 0.335 1.00 31.44 H new ATOM 0 HB2 ALA A 38 -9.204 -2.478 -0.987 1.00 31.44 H new ATOM 0 HB3 ALA A 38 -7.768 -1.482 -1.323 1.00 31.44 H new ATOM 599 N ILE A 39 -7.594 1.208 -0.521 1.00 24.03 N ATOM 600 CA ILE A 39 -6.694 2.254 -0.050 1.00 31.35 C ATOM 601 C ILE A 39 -7.474 3.451 0.483 1.00 31.10 C ATOM 602 O ILE A 39 -7.347 3.817 1.652 1.00 54.24 O ATOM 603 CB ILE A 39 -5.748 2.728 -1.168 1.00 4.20 C ATOM 604 CG1 ILE A 39 -4.906 1.559 -1.684 1.00 53.22 C ATOM 605 CG2 ILE A 39 -4.852 3.850 -0.664 1.00 14.24 C ATOM 606 CD1 ILE A 39 -3.945 1.006 -0.655 1.00 72.25 C ATOM 0 H ILE A 39 -7.476 0.960 -1.503 1.00 24.03 H new ATOM 0 HA ILE A 39 -6.102 1.821 0.756 1.00 31.35 H new ATOM 0 HB ILE A 39 -6.349 3.111 -1.993 1.00 4.20 H new ATOM 0 HG12 ILE A 39 -5.571 0.761 -2.014 1.00 53.22 H new ATOM 0 HG13 ILE A 39 -4.342 1.886 -2.558 1.00 53.22 H new ATOM 0 HG21 ILE A 39 -4.189 4.174 -1.466 1.00 14.24 H new ATOM 0 HG22 ILE A 39 -5.467 4.689 -0.340 1.00 14.24 H new ATOM 0 HG23 ILE A 39 -4.257 3.491 0.176 1.00 14.24 H new ATOM 0 HD11 ILE A 39 -3.382 0.180 -1.090 1.00 72.25 H new ATOM 0 HD12 ILE A 39 -3.256 1.790 -0.342 1.00 72.25 H new ATOM 0 HD13 ILE A 39 -4.504 0.648 0.210 1.00 72.25 H new ATOM 618 N ARG A 40 -8.282 4.056 -0.381 1.00 72.45 N ATOM 619 CA ARG A 40 -9.084 5.211 0.002 1.00 41.41 C ATOM 620 C ARG A 40 -9.892 4.919 1.263 1.00 62.42 C ATOM 621 O ARG A 40 -9.941 5.734 2.183 1.00 21.35 O ATOM 622 CB ARG A 40 -10.024 5.608 -1.138 1.00 63.12 C ATOM 623 CG ARG A 40 -10.298 7.101 -1.210 1.00 44.24 C ATOM 624 CD ARG A 40 -9.138 7.850 -1.849 1.00 33.01 C ATOM 625 NE ARG A 40 -9.596 8.951 -2.692 1.00 41.11 N ATOM 626 CZ ARG A 40 -8.801 9.921 -3.130 1.00 1.13 C ATOM 627 NH1 ARG A 40 -7.515 9.926 -2.806 1.00 32.22 N ATOM 628 NH2 ARG A 40 -9.292 10.889 -3.893 1.00 65.14 N ATOM 0 H ARG A 40 -8.399 3.765 -1.352 1.00 72.45 H new ATOM 0 HA ARG A 40 -8.406 6.039 0.209 1.00 41.41 H new ATOM 0 HB2 ARG A 40 -9.593 5.280 -2.084 1.00 63.12 H new ATOM 0 HB3 ARG A 40 -10.970 5.079 -1.019 1.00 63.12 H new ATOM 0 HG2 ARG A 40 -11.207 7.278 -1.784 1.00 44.24 H new ATOM 0 HG3 ARG A 40 -10.474 7.489 -0.207 1.00 44.24 H new ATOM 0 HD2 ARG A 40 -8.484 8.239 -1.069 1.00 33.01 H new ATOM 0 HD3 ARG A 40 -8.545 7.158 -2.447 1.00 33.01 H new ATOM 0 HE ARG A 40 -10.580 8.977 -2.959 1.00 41.11 H new ATOM 0 HH11 ARG A 40 -7.134 9.184 -2.219 1.00 32.22 H new ATOM 0 HH12 ARG A 40 -6.907 10.672 -3.144 1.00 32.22 H new ATOM 0 HH21 ARG A 40 -10.281 10.889 -4.144 1.00 65.14 H new ATOM 0 HH22 ARG A 40 -8.681 11.633 -4.229 1.00 65.14 H new ATOM 642 N MET A 41 -10.524 3.750 1.296 1.00 1.03 N ATOM 643 CA MET A 41 -11.329 3.350 2.444 1.00 20.35 C ATOM 644 C MET A 41 -10.534 3.483 3.739 1.00 4.12 C ATOM 645 O MET A 41 -11.033 4.009 4.734 1.00 63.23 O ATOM 646 CB MET A 41 -11.814 1.909 2.277 1.00 72.45 C ATOM 647 CG MET A 41 -12.550 1.370 3.492 1.00 32.45 C ATOM 648 SD MET A 41 -14.217 0.804 3.101 1.00 10.13 S ATOM 649 CE MET A 41 -14.444 -0.466 4.344 1.00 12.51 C ATOM 0 H MET A 41 -10.494 3.064 0.542 1.00 1.03 H new ATOM 0 HA MET A 41 -12.193 4.013 2.498 1.00 20.35 H new ATOM 0 HB2 MET A 41 -12.472 1.854 1.410 1.00 72.45 H new ATOM 0 HB3 MET A 41 -10.957 1.268 2.068 1.00 72.45 H new ATOM 0 HG2 MET A 41 -11.981 0.544 3.920 1.00 32.45 H new ATOM 0 HG3 MET A 41 -12.604 2.148 4.254 1.00 32.45 H new ATOM 0 HE1 MET A 41 -15.432 -0.912 4.232 1.00 12.51 H new ATOM 0 HE2 MET A 41 -13.682 -1.236 4.221 1.00 12.51 H new ATOM 0 HE3 MET A 41 -14.356 -0.024 5.336 1.00 12.51 H new ATOM 659 N ALA A 42 -9.294 3.004 3.719 1.00 33.43 N ATOM 660 CA ALA A 42 -8.430 3.071 4.891 1.00 11.21 C ATOM 661 C ALA A 42 -7.900 4.485 5.101 1.00 11.55 C ATOM 662 O ALA A 42 -7.689 4.917 6.234 1.00 54.21 O ATOM 663 CB ALA A 42 -7.277 2.088 4.754 1.00 42.33 C ATOM 0 H ALA A 42 -8.866 2.565 2.904 1.00 33.43 H new ATOM 0 HA ALA A 42 -9.022 2.799 5.765 1.00 11.21 H new ATOM 0 HB1 ALA A 42 -6.640 2.149 5.636 1.00 42.33 H new ATOM 0 HB2 ALA A 42 -7.671 1.076 4.660 1.00 42.33 H new ATOM 0 HB3 ALA A 42 -6.693 2.334 3.867 1.00 42.33 H new ATOM 669 N ASN A 43 -7.686 5.202 4.003 1.00 72.14 N ATOM 670 CA ASN A 43 -7.179 6.568 4.067 1.00 32.23 C ATOM 671 C ASN A 43 -8.160 7.478 4.800 1.00 72.00 C ATOM 672 O ASN A 43 -7.770 8.494 5.375 1.00 31.15 O ATOM 673 CB ASN A 43 -6.922 7.106 2.658 1.00 22.33 C ATOM 674 CG ASN A 43 -6.263 8.472 2.672 1.00 35.23 C ATOM 675 OD1 ASN A 43 -5.413 8.755 3.516 1.00 31.33 O ATOM 676 ND2 ASN A 43 -6.655 9.327 1.735 1.00 73.22 N ATOM 0 H ASN A 43 -7.856 4.860 3.057 1.00 72.14 H new ATOM 0 HA ASN A 43 -6.240 6.555 4.620 1.00 32.23 H new ATOM 0 HB2 ASN A 43 -6.288 6.405 2.115 1.00 22.33 H new ATOM 0 HB3 ASN A 43 -7.867 7.167 2.117 1.00 22.33 H new ATOM 0 HD21 ASN A 43 -6.248 10.261 1.695 1.00 73.22 H new ATOM 0 HD22 ASN A 43 -7.363 9.049 1.055 1.00 73.22 H new ATOM 683 N VAL A 44 -9.436 7.106 4.775 1.00 71.03 N ATOM 684 CA VAL A 44 -10.474 7.887 5.438 1.00 45.24 C ATOM 685 C VAL A 44 -10.955 7.195 6.708 1.00 52.32 C ATOM 686 O VAL A 44 -10.798 7.720 7.810 1.00 34.23 O ATOM 687 CB VAL A 44 -11.678 8.125 4.507 1.00 22.23 C ATOM 688 CG1 VAL A 44 -12.661 9.096 5.143 1.00 4.13 C ATOM 689 CG2 VAL A 44 -11.211 8.636 3.153 1.00 53.14 C ATOM 0 H VAL A 44 -9.776 6.268 4.303 1.00 71.03 H new ATOM 0 HA VAL A 44 -10.030 8.848 5.698 1.00 45.24 H new ATOM 0 HB VAL A 44 -12.190 7.175 4.354 1.00 22.23 H new ATOM 0 HG11 VAL A 44 -13.505 9.252 4.471 1.00 4.13 H new ATOM 0 HG12 VAL A 44 -13.020 8.685 6.087 1.00 4.13 H new ATOM 0 HG13 VAL A 44 -12.164 10.048 5.328 1.00 4.13 H new ATOM 0 HG21 VAL A 44 -12.074 8.799 2.508 1.00 53.14 H new ATOM 0 HG22 VAL A 44 -10.674 9.575 3.284 1.00 53.14 H new ATOM 0 HG23 VAL A 44 -10.549 7.901 2.695 1.00 53.14 H new ATOM 699 N SER A 45 -11.542 6.014 6.545 1.00 31.24 N ATOM 700 CA SER A 45 -12.050 5.250 7.679 1.00 13.41 C ATOM 701 C SER A 45 -10.976 5.089 8.750 1.00 31.44 C ATOM 702 O SER A 45 -11.257 5.169 9.947 1.00 55.04 O ATOM 703 CB SER A 45 -12.538 3.876 7.218 1.00 62.51 C ATOM 704 OG SER A 45 -11.510 2.906 7.329 1.00 40.43 O ATOM 0 H SER A 45 -11.678 5.565 5.639 1.00 31.24 H new ATOM 0 HA SER A 45 -12.888 5.799 8.109 1.00 13.41 H new ATOM 0 HB2 SER A 45 -13.396 3.571 7.817 1.00 62.51 H new ATOM 0 HB3 SER A 45 -12.877 3.935 6.184 1.00 62.51 H new ATOM 0 HG SER A 45 -11.029 2.840 6.478 1.00 40.43 H new ATOM 710 N THR A 46 -9.742 4.860 8.312 1.00 21.52 N ATOM 711 CA THR A 46 -8.625 4.685 9.232 1.00 64.15 C ATOM 712 C THR A 46 -7.511 5.684 8.940 1.00 51.14 C ATOM 713 O THR A 46 -6.331 5.338 8.964 1.00 62.34 O ATOM 714 CB THR A 46 -8.051 3.257 9.154 1.00 12.31 C ATOM 715 OG1 THR A 46 -7.940 2.848 7.787 1.00 73.54 O ATOM 716 CG2 THR A 46 -8.934 2.278 9.912 1.00 31.33 C ATOM 0 H THR A 46 -9.491 4.791 7.326 1.00 21.52 H new ATOM 0 HA THR A 46 -9.012 4.859 10.236 1.00 64.15 H new ATOM 0 HB THR A 46 -7.062 3.260 9.613 1.00 12.31 H new ATOM 0 HG1 THR A 46 -7.408 3.505 7.291 1.00 73.54 H new ATOM 0 HG21 THR A 46 -8.509 1.276 9.843 1.00 31.33 H new ATOM 0 HG22 THR A 46 -8.993 2.576 10.959 1.00 31.33 H new ATOM 0 HG23 THR A 46 -9.934 2.279 9.478 1.00 31.33 H new ATOM 851 N THR A 56 4.739 7.294 2.952 1.00 23.01 N ATOM 852 CA THR A 56 5.678 6.744 3.922 1.00 72.21 C ATOM 853 C THR A 56 5.285 5.327 4.325 1.00 52.11 C ATOM 854 O THR A 56 4.178 5.094 4.813 1.00 60.23 O ATOM 855 CB THR A 56 5.759 7.621 5.186 1.00 73.05 C ATOM 856 OG1 THR A 56 4.573 7.458 5.972 1.00 61.02 O ATOM 857 CG2 THR A 56 5.931 9.087 4.817 1.00 61.34 C ATOM 0 HA THR A 56 6.655 6.724 3.439 1.00 72.21 H new ATOM 0 HB THR A 56 6.626 7.304 5.766 1.00 73.05 H new ATOM 0 HG1 THR A 56 4.778 7.636 6.914 1.00 61.02 H new ATOM 0 HG21 THR A 56 5.986 9.687 5.725 1.00 61.34 H new ATOM 0 HG22 THR A 56 6.849 9.212 4.243 1.00 61.34 H new ATOM 0 HG23 THR A 56 5.081 9.413 4.217 1.00 61.34 H new ATOM 865 N LEU A 57 6.197 4.384 4.119 1.00 63.00 N ATOM 866 CA LEU A 57 5.946 2.988 4.462 1.00 41.50 C ATOM 867 C LEU A 57 5.468 2.860 5.905 1.00 62.12 C ATOM 868 O LEU A 57 4.710 1.950 6.239 1.00 34.42 O ATOM 869 CB LEU A 57 7.213 2.156 4.256 1.00 11.22 C ATOM 870 CG LEU A 57 7.284 1.351 2.958 1.00 13.12 C ATOM 871 CD1 LEU A 57 8.603 0.601 2.867 1.00 63.23 C ATOM 872 CD2 LEU A 57 6.111 0.385 2.865 1.00 3.31 C ATOM 0 H LEU A 57 7.117 4.560 3.716 1.00 63.00 H new ATOM 0 HA LEU A 57 5.162 2.613 3.804 1.00 41.50 H new ATOM 0 HB2 LEU A 57 8.073 2.825 4.293 1.00 11.22 H new ATOM 0 HB3 LEU A 57 7.310 1.466 5.094 1.00 11.22 H new ATOM 0 HG LEU A 57 7.225 2.044 2.119 1.00 13.12 H new ATOM 0 HD11 LEU A 57 8.636 0.034 1.937 1.00 63.23 H new ATOM 0 HD12 LEU A 57 9.428 1.313 2.887 1.00 63.23 H new ATOM 0 HD13 LEU A 57 8.692 -0.082 3.712 1.00 63.23 H new ATOM 0 HD21 LEU A 57 6.178 -0.180 1.935 1.00 3.31 H new ATOM 0 HD22 LEU A 57 6.138 -0.303 3.710 1.00 3.31 H new ATOM 0 HD23 LEU A 57 5.176 0.945 2.883 1.00 3.31 H new ATOM 884 N ASP A 58 5.915 3.778 6.755 1.00 62.15 N ATOM 885 CA ASP A 58 5.531 3.769 8.161 1.00 13.42 C ATOM 886 C ASP A 58 4.035 4.025 8.317 1.00 10.43 C ATOM 887 O ASP A 58 3.324 3.240 8.943 1.00 72.32 O ATOM 888 CB ASP A 58 6.325 4.823 8.935 1.00 35.03 C ATOM 889 CG ASP A 58 7.724 4.354 9.282 1.00 40.31 C ATOM 890 OD1 ASP A 58 8.409 3.820 8.385 1.00 24.04 O ATOM 891 OD2 ASP A 58 8.134 4.521 10.450 1.00 14.11 O ATOM 0 H ASP A 58 6.544 4.538 6.494 1.00 62.15 H new ATOM 0 HA ASP A 58 5.757 2.784 8.568 1.00 13.42 H new ATOM 0 HB2 ASP A 58 6.387 5.735 8.341 1.00 35.03 H new ATOM 0 HB3 ASP A 58 5.792 5.075 9.852 1.00 35.03 H new ATOM 896 N GLN A 59 3.566 5.130 7.745 1.00 31.43 N ATOM 897 CA GLN A 59 2.155 5.489 7.823 1.00 50.40 C ATOM 898 C GLN A 59 1.277 4.375 7.262 1.00 45.42 C ATOM 899 O GLN A 59 0.273 3.998 7.866 1.00 32.13 O ATOM 900 CB GLN A 59 1.896 6.791 7.062 1.00 22.11 C ATOM 901 CG GLN A 59 0.434 7.207 7.048 1.00 61.11 C ATOM 902 CD GLN A 59 0.255 8.712 7.072 1.00 44.14 C ATOM 903 OE1 GLN A 59 0.892 9.437 6.306 1.00 71.42 O ATOM 904 NE2 GLN A 59 -0.614 9.192 7.953 1.00 33.51 N ATOM 0 H GLN A 59 4.142 5.791 7.223 1.00 31.43 H new ATOM 0 HA GLN A 59 1.900 5.633 8.873 1.00 50.40 H new ATOM 0 HB2 GLN A 59 2.488 7.589 7.511 1.00 22.11 H new ATOM 0 HB3 GLN A 59 2.243 6.677 6.035 1.00 22.11 H new ATOM 0 HG2 GLN A 59 -0.046 6.802 6.157 1.00 61.11 H new ATOM 0 HG3 GLN A 59 -0.072 6.771 7.909 1.00 61.11 H new ATOM 0 HE21 GLN A 59 -1.120 8.556 8.569 1.00 33.51 H new ATOM 0 HE22 GLN A 59 -0.775 10.197 8.014 1.00 33.51 H new ATOM 913 N LEU A 60 1.663 3.853 6.103 1.00 74.12 N ATOM 914 CA LEU A 60 0.910 2.781 5.459 1.00 5.40 C ATOM 915 C LEU A 60 0.858 1.543 6.348 1.00 63.33 C ATOM 916 O LEU A 60 -0.209 0.973 6.573 1.00 35.11 O ATOM 917 CB LEU A 60 1.540 2.429 4.110 1.00 12.10 C ATOM 918 CG LEU A 60 0.908 1.256 3.360 1.00 34.14 C ATOM 919 CD1 LEU A 60 -0.225 1.740 2.468 1.00 1.44 C ATOM 920 CD2 LEU A 60 1.957 0.519 2.541 1.00 52.14 C ATOM 0 H LEU A 60 2.492 4.154 5.590 1.00 74.12 H new ATOM 0 HA LEU A 60 -0.109 3.132 5.297 1.00 5.40 H new ATOM 0 HB2 LEU A 60 1.495 3.310 3.470 1.00 12.10 H new ATOM 0 HB3 LEU A 60 2.595 2.205 4.271 1.00 12.10 H new ATOM 0 HG LEU A 60 0.495 0.562 4.092 1.00 34.14 H new ATOM 0 HD11 LEU A 60 -0.662 0.891 1.942 1.00 1.44 H new ATOM 0 HD12 LEU A 60 -0.989 2.221 3.079 1.00 1.44 H new ATOM 0 HD13 LEU A 60 0.163 2.455 1.743 1.00 1.44 H new ATOM 0 HD21 LEU A 60 1.489 -0.313 2.014 1.00 52.14 H new ATOM 0 HD22 LEU A 60 2.401 1.203 1.818 1.00 52.14 H new ATOM 0 HD23 LEU A 60 2.734 0.138 3.204 1.00 52.14 H new ATOM 932 N ARG A 61 2.018 1.133 6.851 1.00 31.22 N ATOM 933 CA ARG A 61 2.104 -0.038 7.716 1.00 1.43 C ATOM 934 C ARG A 61 1.114 0.067 8.872 1.00 33.33 C ATOM 935 O ARG A 61 0.491 -0.922 9.262 1.00 72.15 O ATOM 936 CB ARG A 61 3.525 -0.192 8.261 1.00 64.23 C ATOM 937 CG ARG A 61 3.674 -1.327 9.261 1.00 65.25 C ATOM 938 CD ARG A 61 5.124 -1.768 9.391 1.00 1.43 C ATOM 939 NE ARG A 61 5.738 -1.273 10.621 1.00 54.11 N ATOM 940 CZ ARG A 61 5.480 -1.774 11.824 1.00 54.41 C ATOM 941 NH1 ARG A 61 4.625 -2.778 11.958 1.00 33.02 N ATOM 942 NH2 ARG A 61 6.078 -1.270 12.896 1.00 52.32 N ATOM 0 H ARG A 61 2.911 1.594 6.675 1.00 31.22 H new ATOM 0 HA ARG A 61 1.852 -0.917 7.122 1.00 1.43 H new ATOM 0 HB2 ARG A 61 4.208 -0.361 7.428 1.00 64.23 H new ATOM 0 HB3 ARG A 61 3.826 0.742 8.736 1.00 64.23 H new ATOM 0 HG2 ARG A 61 3.301 -1.007 10.234 1.00 65.25 H new ATOM 0 HG3 ARG A 61 3.062 -2.173 8.947 1.00 65.25 H new ATOM 0 HD2 ARG A 61 5.175 -2.857 9.373 1.00 1.43 H new ATOM 0 HD3 ARG A 61 5.691 -1.408 8.532 1.00 1.43 H new ATOM 0 HE ARG A 61 6.401 -0.501 10.552 1.00 54.11 H new ATOM 0 HH11 ARG A 61 4.163 -3.168 11.136 1.00 33.02 H new ATOM 0 HH12 ARG A 61 4.429 -3.161 12.883 1.00 33.02 H new ATOM 0 HH21 ARG A 61 6.736 -0.497 12.797 1.00 52.32 H new ATOM 0 HH22 ARG A 61 5.879 -1.655 13.819 1.00 52.32 H new ATOM 956 N LEU A 62 0.973 1.270 9.418 1.00 65.14 N ATOM 957 CA LEU A 62 0.059 1.504 10.530 1.00 41.12 C ATOM 958 C LEU A 62 -1.392 1.357 10.082 1.00 3.23 C ATOM 959 O LEU A 62 -2.227 0.823 10.813 1.00 42.54 O ATOM 960 CB LEU A 62 0.285 2.899 11.117 1.00 70.53 C ATOM 961 CG LEU A 62 0.498 2.964 12.629 1.00 31.34 C ATOM 962 CD1 LEU A 62 -0.723 2.432 13.364 1.00 53.52 C ATOM 963 CD2 LEU A 62 1.743 2.184 13.027 1.00 73.21 C ATOM 0 H LEU A 62 1.480 2.099 9.108 1.00 65.14 H new ATOM 0 HA LEU A 62 0.261 0.757 11.298 1.00 41.12 H new ATOM 0 HB2 LEU A 62 1.154 3.340 10.629 1.00 70.53 H new ATOM 0 HB3 LEU A 62 -0.573 3.521 10.864 1.00 70.53 H new ATOM 0 HG LEU A 62 0.641 4.007 12.911 1.00 31.34 H new ATOM 0 HD11 LEU A 62 -0.553 2.486 14.439 1.00 53.52 H new ATOM 0 HD12 LEU A 62 -1.595 3.033 13.104 1.00 53.52 H new ATOM 0 HD13 LEU A 62 -0.898 1.395 13.076 1.00 53.52 H new ATOM 0 HD21 LEU A 62 1.879 2.242 14.107 1.00 73.21 H new ATOM 0 HD22 LEU A 62 1.629 1.141 12.731 1.00 73.21 H new ATOM 0 HD23 LEU A 62 2.614 2.610 12.529 1.00 73.21 H new ATOM 975 N VAL A 63 -1.685 1.832 8.876 1.00 45.51 N ATOM 976 CA VAL A 63 -3.034 1.751 8.329 1.00 44.21 C ATOM 977 C VAL A 63 -3.477 0.301 8.173 1.00 61.11 C ATOM 978 O VAL A 63 -4.609 -0.052 8.506 1.00 5.02 O ATOM 979 CB VAL A 63 -3.128 2.455 6.962 1.00 15.33 C ATOM 980 CG1 VAL A 63 -4.534 2.333 6.395 1.00 74.32 C ATOM 981 CG2 VAL A 63 -2.720 3.915 7.086 1.00 12.53 C ATOM 0 H VAL A 63 -1.006 2.277 8.259 1.00 45.51 H new ATOM 0 HA VAL A 63 -3.693 2.255 9.035 1.00 44.21 H new ATOM 0 HB VAL A 63 -2.440 1.966 6.273 1.00 15.33 H new ATOM 0 HG11 VAL A 63 -4.582 2.836 5.429 1.00 74.32 H new ATOM 0 HG12 VAL A 63 -4.785 1.280 6.268 1.00 74.32 H new ATOM 0 HG13 VAL A 63 -5.244 2.796 7.080 1.00 74.32 H new ATOM 0 HG21 VAL A 63 -2.792 4.397 6.111 1.00 12.53 H new ATOM 0 HG22 VAL A 63 -3.382 4.419 7.790 1.00 12.53 H new ATOM 0 HG23 VAL A 63 -1.693 3.976 7.446 1.00 12.53 H new ATOM 991 N ILE A 64 -2.578 -0.535 7.665 1.00 60.32 N ATOM 992 CA ILE A 64 -2.876 -1.948 7.466 1.00 31.23 C ATOM 993 C ILE A 64 -3.197 -2.634 8.790 1.00 11.41 C ATOM 994 O ILE A 64 -4.237 -3.279 8.931 1.00 43.22 O ATOM 995 CB ILE A 64 -1.702 -2.682 6.793 1.00 63.24 C ATOM 996 CG1 ILE A 64 -1.313 -1.981 5.489 1.00 15.44 C ATOM 997 CG2 ILE A 64 -2.066 -4.136 6.530 1.00 53.43 C ATOM 998 CD1 ILE A 64 -0.022 -2.491 4.890 1.00 72.33 C ATOM 0 H ILE A 64 -1.637 -0.258 7.384 1.00 60.32 H new ATOM 0 HA ILE A 64 -3.747 -1.997 6.813 1.00 31.23 H new ATOM 0 HB ILE A 64 -0.845 -2.658 7.466 1.00 63.24 H new ATOM 0 HG12 ILE A 64 -2.116 -2.110 4.763 1.00 15.44 H new ATOM 0 HG13 ILE A 64 -1.220 -0.911 5.675 1.00 15.44 H new ATOM 0 HG21 ILE A 64 -1.226 -4.641 6.054 1.00 53.43 H new ATOM 0 HG22 ILE A 64 -2.298 -4.629 7.474 1.00 53.43 H new ATOM 0 HG23 ILE A 64 -2.935 -4.181 5.874 1.00 53.43 H new ATOM 0 HD11 ILE A 64 0.191 -1.949 3.968 1.00 72.33 H new ATOM 0 HD12 ILE A 64 0.793 -2.338 5.597 1.00 72.33 H new ATOM 0 HD13 ILE A 64 -0.117 -3.555 4.672 1.00 72.33 H new ATOM 1010 N CYS A 65 -2.299 -2.488 9.758 1.00 31.11 N ATOM 1011 CA CYS A 65 -2.487 -3.092 11.072 1.00 22.53 C ATOM 1012 C CYS A 65 -3.717 -2.516 11.765 1.00 10.33 C ATOM 1013 O CYS A 65 -4.611 -3.253 12.181 1.00 24.42 O ATOM 1014 CB CYS A 65 -1.247 -2.871 11.940 1.00 30.40 C ATOM 1015 SG CYS A 65 0.201 -3.818 11.414 1.00 72.03 S ATOM 0 H CYS A 65 -1.434 -1.957 9.658 1.00 31.11 H new ATOM 0 HA CYS A 65 -2.639 -4.162 10.934 1.00 22.53 H new ATOM 0 HB2 CYS A 65 -0.996 -1.810 11.933 1.00 30.40 H new ATOM 0 HB3 CYS A 65 -1.486 -3.135 12.970 1.00 30.40 H new ATOM 0 HG CYS A 65 1.198 -3.562 12.208 1.00 72.03 H new ATOM 1021 N ASP A 66 -3.755 -1.193 11.887 1.00 31.44 N ATOM 1022 CA ASP A 66 -4.875 -0.517 12.531 1.00 54.02 C ATOM 1023 C ASP A 66 -6.200 -0.944 11.906 1.00 62.04 C ATOM 1024 O ASP A 66 -7.189 -1.159 12.607 1.00 31.22 O ATOM 1025 CB ASP A 66 -4.712 1.000 12.424 1.00 54.01 C ATOM 1026 CG ASP A 66 -5.872 1.752 13.047 1.00 3.32 C ATOM 1027 OD1 ASP A 66 -6.050 1.653 14.279 1.00 33.44 O ATOM 1028 OD2 ASP A 66 -6.600 2.441 12.303 1.00 1.40 O ATOM 0 H ASP A 66 -3.023 -0.568 11.548 1.00 31.44 H new ATOM 0 HA ASP A 66 -4.882 -0.801 13.583 1.00 54.02 H new ATOM 0 HB2 ASP A 66 -3.785 1.298 12.913 1.00 54.01 H new ATOM 0 HB3 ASP A 66 -4.623 1.280 11.374 1.00 54.01 H new ATOM 1033 N LEU A 67 -6.212 -1.064 10.583 1.00 50.23 N ATOM 1034 CA LEU A 67 -7.415 -1.464 9.862 1.00 74.32 C ATOM 1035 C LEU A 67 -7.835 -2.879 10.246 1.00 30.44 C ATOM 1036 O LEU A 67 -8.965 -3.106 10.679 1.00 42.44 O ATOM 1037 CB LEU A 67 -7.181 -1.382 8.352 1.00 23.15 C ATOM 1038 CG LEU A 67 -8.355 -1.801 7.467 1.00 63.11 C ATOM 1039 CD1 LEU A 67 -9.573 -0.936 7.751 1.00 61.13 C ATOM 1040 CD2 LEU A 67 -7.970 -1.718 5.997 1.00 51.11 C ATOM 0 H LEU A 67 -5.402 -0.890 9.988 1.00 50.23 H new ATOM 0 HA LEU A 67 -8.217 -0.779 10.137 1.00 74.32 H new ATOM 0 HB2 LEU A 67 -6.911 -0.356 8.102 1.00 23.15 H new ATOM 0 HB3 LEU A 67 -6.323 -2.007 8.103 1.00 23.15 H new ATOM 0 HG LEU A 67 -8.609 -2.836 7.698 1.00 63.11 H new ATOM 0 HD11 LEU A 67 -10.399 -1.249 7.112 1.00 61.13 H new ATOM 0 HD12 LEU A 67 -9.862 -1.046 8.796 1.00 61.13 H new ATOM 0 HD13 LEU A 67 -9.333 0.108 7.549 1.00 61.13 H new ATOM 0 HD21 LEU A 67 -8.817 -2.020 5.381 1.00 51.11 H new ATOM 0 HD22 LEU A 67 -7.690 -0.694 5.752 1.00 51.11 H new ATOM 0 HD23 LEU A 67 -7.127 -2.381 5.804 1.00 51.11 H new ATOM 1052 N GLN A 68 -6.917 -3.827 10.088 1.00 63.13 N ATOM 1053 CA GLN A 68 -7.192 -5.220 10.420 1.00 43.10 C ATOM 1054 C GLN A 68 -7.567 -5.365 11.891 1.00 1.21 C ATOM 1055 O GLN A 68 -8.355 -6.236 12.257 1.00 23.30 O ATOM 1056 CB GLN A 68 -5.975 -6.092 10.103 1.00 13.44 C ATOM 1057 CG GLN A 68 -6.332 -7.519 9.722 1.00 74.13 C ATOM 1058 CD GLN A 68 -5.673 -8.546 10.621 1.00 13.03 C ATOM 1059 OE1 GLN A 68 -4.602 -9.066 10.308 1.00 33.51 O ATOM 1060 NE2 GLN A 68 -6.311 -8.843 11.747 1.00 33.43 N ATOM 0 H GLN A 68 -5.976 -3.656 9.732 1.00 63.13 H new ATOM 0 HA GLN A 68 -8.035 -5.552 9.814 1.00 43.10 H new ATOM 0 HB2 GLN A 68 -5.415 -5.636 9.287 1.00 13.44 H new ATOM 0 HB3 GLN A 68 -5.316 -6.111 10.971 1.00 13.44 H new ATOM 0 HG2 GLN A 68 -7.414 -7.643 9.767 1.00 74.13 H new ATOM 0 HG3 GLN A 68 -6.033 -7.701 8.690 1.00 74.13 H new ATOM 0 HE21 GLN A 68 -7.197 -8.388 11.967 1.00 33.43 H new ATOM 0 HE22 GLN A 68 -5.915 -9.527 12.392 1.00 33.43 H new ATOM 1069 N GLU A 69 -6.997 -4.505 12.730 1.00 62.04 N ATOM 1070 CA GLU A 69 -7.271 -4.539 14.161 1.00 34.23 C ATOM 1071 C GLU A 69 -8.701 -4.091 14.452 1.00 3.31 C ATOM 1072 O GLU A 69 -9.504 -4.853 14.990 1.00 53.22 O ATOM 1073 CB GLU A 69 -6.282 -3.647 14.914 1.00 32.03 C ATOM 1074 CG GLU A 69 -4.996 -4.357 15.302 1.00 0.24 C ATOM 1075 CD GLU A 69 -5.177 -5.287 16.486 1.00 74.42 C ATOM 1076 OE1 GLU A 69 -5.790 -4.862 17.487 1.00 21.13 O ATOM 1077 OE2 GLU A 69 -4.707 -6.442 16.410 1.00 45.34 O ATOM 0 H GLU A 69 -6.343 -3.777 12.443 1.00 62.04 H new ATOM 0 HA GLU A 69 -7.154 -5.567 14.503 1.00 34.23 H new ATOM 0 HB2 GLU A 69 -6.038 -2.785 14.293 1.00 32.03 H new ATOM 0 HB3 GLU A 69 -6.763 -3.266 15.815 1.00 32.03 H new ATOM 0 HG2 GLU A 69 -4.629 -4.928 14.449 1.00 0.24 H new ATOM 0 HG3 GLU A 69 -4.234 -3.615 15.541 1.00 0.24 H new ATOM 1084 N ARG A 70 -9.010 -2.849 14.093 1.00 4.01 N ATOM 1085 CA ARG A 70 -10.341 -2.298 14.317 1.00 44.34 C ATOM 1086 C ARG A 70 -11.399 -3.120 13.587 1.00 31.14 C ATOM 1087 O ARG A 70 -12.400 -3.525 14.178 1.00 33.22 O ATOM 1088 CB ARG A 70 -10.398 -0.842 13.849 1.00 74.43 C ATOM 1089 CG ARG A 70 -10.638 0.150 14.974 1.00 14.25 C ATOM 1090 CD ARG A 70 -11.497 1.318 14.514 1.00 34.41 C ATOM 1091 NE ARG A 70 -11.906 2.169 15.628 1.00 34.10 N ATOM 1092 CZ ARG A 70 -11.113 3.072 16.193 1.00 64.11 C ATOM 1093 NH1 ARG A 70 -9.874 3.240 15.750 1.00 13.50 N ATOM 1094 NH2 ARG A 70 -11.557 3.809 17.203 1.00 73.13 N ATOM 0 H ARG A 70 -8.357 -2.206 13.646 1.00 4.01 H new ATOM 0 HA ARG A 70 -10.549 -2.338 15.386 1.00 44.34 H new ATOM 0 HB2 ARG A 70 -9.462 -0.593 13.350 1.00 74.43 H new ATOM 0 HB3 ARG A 70 -11.191 -0.738 13.109 1.00 74.43 H new ATOM 0 HG2 ARG A 70 -11.125 -0.355 15.808 1.00 14.25 H new ATOM 0 HG3 ARG A 70 -9.682 0.523 15.342 1.00 14.25 H new ATOM 0 HD2 ARG A 70 -10.942 1.913 13.789 1.00 34.41 H new ATOM 0 HD3 ARG A 70 -12.382 0.938 14.004 1.00 34.41 H new ATOM 0 HE ARG A 70 -12.853 2.064 15.992 1.00 34.10 H new ATOM 0 HH11 ARG A 70 -9.529 2.675 14.974 1.00 13.50 H new ATOM 0 HH12 ARG A 70 -9.266 3.934 16.185 1.00 13.50 H new ATOM 0 HH21 ARG A 70 -12.509 3.682 17.547 1.00 73.13 H new ATOM 0 HH22 ARG A 70 -10.946 4.502 17.636 1.00 73.13 H new ATOM 1108 N ARG A 71 -11.170 -3.362 12.301 1.00 54.02 N ATOM 1109 CA ARG A 71 -12.105 -4.134 11.491 1.00 61.13 C ATOM 1110 C ARG A 71 -12.398 -5.485 12.138 1.00 51.53 C ATOM 1111 O ARG A 71 -13.544 -5.933 12.168 1.00 43.31 O ATOM 1112 CB ARG A 71 -11.542 -4.342 10.084 1.00 62.24 C ATOM 1113 CG ARG A 71 -11.491 -3.070 9.254 1.00 45.32 C ATOM 1114 CD ARG A 71 -12.885 -2.543 8.956 1.00 54.45 C ATOM 1115 NE ARG A 71 -13.066 -1.173 9.430 1.00 32.44 N ATOM 1116 CZ ARG A 71 -14.170 -0.463 9.223 1.00 24.44 C ATOM 1117 NH1 ARG A 71 -15.185 -0.991 8.554 1.00 52.42 N ATOM 1118 NH2 ARG A 71 -14.259 0.777 9.687 1.00 22.30 N ATOM 0 H ARG A 71 -10.346 -3.035 11.797 1.00 54.02 H new ATOM 0 HA ARG A 71 -13.037 -3.573 11.423 1.00 61.13 H new ATOM 0 HB2 ARG A 71 -10.536 -4.756 10.162 1.00 62.24 H new ATOM 0 HB3 ARG A 71 -12.151 -5.081 9.564 1.00 62.24 H new ATOM 0 HG2 ARG A 71 -10.920 -2.310 9.786 1.00 45.32 H new ATOM 0 HG3 ARG A 71 -10.967 -3.266 8.318 1.00 45.32 H new ATOM 0 HD2 ARG A 71 -13.065 -2.581 7.882 1.00 54.45 H new ATOM 0 HD3 ARG A 71 -13.625 -3.190 9.427 1.00 54.45 H new ATOM 0 HE ARG A 71 -12.303 -0.738 9.948 1.00 32.44 H new ATOM 0 HH11 ARG A 71 -15.120 -1.944 8.197 1.00 52.42 H new ATOM 0 HH12 ARG A 71 -16.031 -0.444 8.396 1.00 52.42 H new ATOM 0 HH21 ARG A 71 -13.480 1.186 10.203 1.00 22.30 H new ATOM 0 HH22 ARG A 71 -15.107 1.321 9.528 1.00 22.30 H new ATOM 1132 N GLU A 72 -11.355 -6.127 12.653 1.00 23.21 N ATOM 1133 CA GLU A 72 -11.501 -7.427 13.298 1.00 53.21 C ATOM 1134 C GLU A 72 -12.472 -7.345 14.473 1.00 45.11 C ATOM 1135 O GLU A 72 -13.397 -8.149 14.586 1.00 21.03 O ATOM 1136 CB GLU A 72 -10.142 -7.938 13.779 1.00 21.24 C ATOM 1137 CG GLU A 72 -10.229 -9.205 14.614 1.00 60.24 C ATOM 1138 CD GLU A 72 -10.913 -10.342 13.879 1.00 40.33 C ATOM 1139 OE1 GLU A 72 -10.544 -10.603 12.715 1.00 72.41 O ATOM 1140 OE2 GLU A 72 -11.817 -10.969 14.469 1.00 73.55 O ATOM 0 H GLU A 72 -10.400 -5.769 12.636 1.00 23.21 H new ATOM 0 HA GLU A 72 -11.904 -8.125 12.564 1.00 53.21 H new ATOM 0 HB2 GLU A 72 -9.507 -8.126 12.913 1.00 21.24 H new ATOM 0 HB3 GLU A 72 -9.657 -7.158 14.366 1.00 21.24 H new ATOM 0 HG2 GLU A 72 -9.225 -9.516 14.902 1.00 60.24 H new ATOM 0 HG3 GLU A 72 -10.773 -8.993 15.534 1.00 60.24 H new ATOM 1147 N LYS A 73 -12.253 -6.368 15.346 1.00 42.50 N ATOM 1148 CA LYS A 73 -13.106 -6.178 16.513 1.00 54.03 C ATOM 1149 C LYS A 73 -14.567 -6.027 16.100 1.00 41.05 C ATOM 1150 O LYS A 73 -15.468 -6.524 16.775 1.00 32.21 O ATOM 1151 CB LYS A 73 -12.659 -4.946 17.303 1.00 61.20 C ATOM 1152 CG LYS A 73 -11.862 -5.281 18.552 1.00 73.20 C ATOM 1153 CD LYS A 73 -11.609 -4.046 19.400 1.00 71.00 C ATOM 1154 CE LYS A 73 -10.397 -3.271 18.907 1.00 2.35 C ATOM 1155 NZ LYS A 73 -10.775 -1.939 18.360 1.00 53.41 N ATOM 0 H LYS A 73 -11.491 -5.695 15.267 1.00 42.50 H new ATOM 0 HA LYS A 73 -13.014 -7.061 17.146 1.00 54.03 H new ATOM 0 HB2 LYS A 73 -12.055 -4.310 16.656 1.00 61.20 H new ATOM 0 HB3 LYS A 73 -13.538 -4.368 17.587 1.00 61.20 H new ATOM 0 HG2 LYS A 73 -12.401 -6.023 19.141 1.00 73.20 H new ATOM 0 HG3 LYS A 73 -10.910 -5.730 18.268 1.00 73.20 H new ATOM 0 HD2 LYS A 73 -12.488 -3.402 19.378 1.00 71.00 H new ATOM 0 HD3 LYS A 73 -11.456 -4.341 20.438 1.00 71.00 H new ATOM 0 HE2 LYS A 73 -9.692 -3.140 19.728 1.00 2.35 H new ATOM 0 HE3 LYS A 73 -9.886 -3.848 18.137 1.00 2.35 H new ATOM 0 HZ1 LYS A 73 -9.921 -1.442 18.035 1.00 53.41 H new ATOM 0 HZ2 LYS A 73 -11.428 -2.065 17.561 1.00 53.41 H new ATOM 0 HZ3 LYS A 73 -11.240 -1.378 19.102 1.00 53.41 H new ATOM 1169 N PHE A 74 -14.794 -5.339 14.985 1.00 21.14 N ATOM 1170 CA PHE A 74 -16.145 -5.123 14.482 1.00 74.30 C ATOM 1171 C PHE A 74 -16.680 -6.381 13.803 1.00 10.11 C ATOM 1172 O PHE A 74 -17.889 -6.598 13.738 1.00 32.43 O ATOM 1173 CB PHE A 74 -16.165 -3.952 13.498 1.00 10.53 C ATOM 1174 CG PHE A 74 -17.356 -3.051 13.663 1.00 43.24 C ATOM 1175 CD1 PHE A 74 -17.353 -2.044 14.615 1.00 74.15 C ATOM 1176 CD2 PHE A 74 -18.478 -3.211 12.865 1.00 24.44 C ATOM 1177 CE1 PHE A 74 -18.447 -1.213 14.768 1.00 33.31 C ATOM 1178 CE2 PHE A 74 -19.574 -2.383 13.014 1.00 31.41 C ATOM 1179 CZ PHE A 74 -19.560 -1.384 13.967 1.00 5.04 C ATOM 0 H PHE A 74 -14.059 -4.922 14.413 1.00 21.14 H new ATOM 0 HA PHE A 74 -16.788 -4.887 15.330 1.00 74.30 H new ATOM 0 HB2 PHE A 74 -15.255 -3.365 13.625 1.00 10.53 H new ATOM 0 HB3 PHE A 74 -16.153 -4.343 12.480 1.00 10.53 H new ATOM 0 HD1 PHE A 74 -16.486 -1.907 15.244 1.00 74.15 H new ATOM 0 HD2 PHE A 74 -18.496 -3.991 12.119 1.00 24.44 H new ATOM 0 HE1 PHE A 74 -18.432 -0.431 15.513 1.00 33.31 H new ATOM 0 HE2 PHE A 74 -20.442 -2.517 12.385 1.00 31.41 H new ATOM 0 HZ PHE A 74 -20.417 -0.738 14.086 1.00 5.04 H new ATOM 1189 N GLY A 75 -15.769 -7.206 13.297 1.00 25.42 N ATOM 1190 CA GLY A 75 -16.167 -8.432 12.629 1.00 3.41 C ATOM 1191 C GLY A 75 -15.497 -8.600 11.280 1.00 72.04 C ATOM 1192 O GLY A 75 -14.878 -7.669 10.766 1.00 43.41 O ATOM 0 H GLY A 75 -14.762 -7.048 13.338 1.00 25.42 H new ATOM 0 HA2 GLY A 75 -15.920 -9.284 13.263 1.00 3.41 H new ATOM 0 HA3 GLY A 75 -17.249 -8.436 12.497 1.00 3.41 H new ATOM 1196 N SER A 76 -15.620 -9.792 10.704 1.00 11.04 N ATOM 1197 CA SER A 76 -15.017 -10.081 9.409 1.00 61.33 C ATOM 1198 C SER A 76 -15.987 -9.764 8.275 1.00 51.21 C ATOM 1199 O SER A 76 -17.195 -9.662 8.487 1.00 34.41 O ATOM 1200 CB SER A 76 -14.593 -11.549 9.336 1.00 21.52 C ATOM 1201 OG SER A 76 -15.704 -12.411 9.517 1.00 43.41 O ATOM 0 H SER A 76 -16.132 -10.573 11.114 1.00 11.04 H new ATOM 0 HA SER A 76 -14.136 -9.449 9.298 1.00 61.33 H new ATOM 0 HB2 SER A 76 -14.127 -11.749 8.371 1.00 21.52 H new ATOM 0 HB3 SER A 76 -13.843 -11.752 10.100 1.00 21.52 H new ATOM 0 HG SER A 76 -15.407 -13.343 9.464 1.00 43.41 H new ATOM 1207 N SER A 77 -15.448 -9.608 7.070 1.00 55.12 N ATOM 1208 CA SER A 77 -16.265 -9.298 5.902 1.00 43.02 C ATOM 1209 C SER A 77 -15.412 -9.259 4.638 1.00 64.44 C ATOM 1210 O SER A 77 -14.234 -8.903 4.679 1.00 0.43 O ATOM 1211 CB SER A 77 -16.976 -7.957 6.092 1.00 52.02 C ATOM 1212 OG SER A 77 -16.196 -6.889 5.582 1.00 32.24 O ATOM 0 H SER A 77 -14.450 -9.691 6.877 1.00 55.12 H new ATOM 0 HA SER A 77 -17.011 -10.085 5.792 1.00 43.02 H new ATOM 0 HB2 SER A 77 -17.942 -7.979 5.587 1.00 52.02 H new ATOM 0 HB3 SER A 77 -17.174 -7.794 7.151 1.00 52.02 H new ATOM 0 HG SER A 77 -16.673 -6.043 5.714 1.00 32.24 H new ATOM 1218 N LYS A 78 -16.015 -9.629 3.513 1.00 62.40 N ATOM 1219 CA LYS A 78 -15.313 -9.637 2.235 1.00 54.13 C ATOM 1220 C LYS A 78 -14.639 -8.294 1.977 1.00 44.45 C ATOM 1221 O LYS A 78 -13.560 -8.234 1.387 1.00 73.33 O ATOM 1222 CB LYS A 78 -16.286 -9.958 1.098 1.00 52.23 C ATOM 1223 CG LYS A 78 -16.377 -11.439 0.775 1.00 60.21 C ATOM 1224 CD LYS A 78 -15.566 -11.791 -0.461 1.00 20.31 C ATOM 1225 CE LYS A 78 -16.394 -11.652 -1.729 1.00 42.43 C ATOM 1226 NZ LYS A 78 -17.131 -12.905 -2.051 1.00 54.41 N ATOM 0 H LYS A 78 -16.989 -9.927 3.461 1.00 62.40 H new ATOM 0 HA LYS A 78 -14.544 -10.408 2.276 1.00 54.13 H new ATOM 0 HB2 LYS A 78 -17.277 -9.591 1.365 1.00 52.23 H new ATOM 0 HB3 LYS A 78 -15.977 -9.418 0.203 1.00 52.23 H new ATOM 0 HG2 LYS A 78 -16.018 -12.020 1.624 1.00 60.21 H new ATOM 0 HG3 LYS A 78 -17.420 -11.715 0.618 1.00 60.21 H new ATOM 0 HD2 LYS A 78 -14.693 -11.141 -0.522 1.00 20.31 H new ATOM 0 HD3 LYS A 78 -15.197 -12.813 -0.376 1.00 20.31 H new ATOM 0 HE2 LYS A 78 -17.104 -10.833 -1.611 1.00 42.43 H new ATOM 0 HE3 LYS A 78 -15.741 -11.390 -2.562 1.00 42.43 H new ATOM 0 HZ1 LYS A 78 -17.683 -12.769 -2.922 1.00 54.41 H new ATOM 0 HZ2 LYS A 78 -16.453 -13.681 -2.189 1.00 54.41 H new ATOM 0 HZ3 LYS A 78 -17.773 -13.141 -1.268 1.00 54.41 H new ATOM 1240 N GLU A 79 -15.280 -7.218 2.423 1.00 31.45 N ATOM 1241 CA GLU A 79 -14.740 -5.876 2.240 1.00 20.44 C ATOM 1242 C GLU A 79 -13.453 -5.694 3.039 1.00 23.44 C ATOM 1243 O GLU A 79 -12.489 -5.098 2.557 1.00 74.22 O ATOM 1244 CB GLU A 79 -15.769 -4.826 2.664 1.00 20.22 C ATOM 1245 CG GLU A 79 -16.544 -4.230 1.501 1.00 11.45 C ATOM 1246 CD GLU A 79 -17.884 -4.905 1.286 1.00 73.53 C ATOM 1247 OE1 GLU A 79 -18.746 -4.816 2.185 1.00 70.21 O ATOM 1248 OE2 GLU A 79 -18.071 -5.524 0.217 1.00 41.33 O ATOM 0 H GLU A 79 -16.174 -7.250 2.914 1.00 31.45 H new ATOM 0 HA GLU A 79 -14.512 -5.745 1.182 1.00 20.44 H new ATOM 0 HB2 GLU A 79 -16.471 -5.279 3.364 1.00 20.22 H new ATOM 0 HB3 GLU A 79 -15.259 -4.025 3.199 1.00 20.22 H new ATOM 0 HG2 GLU A 79 -16.702 -3.167 1.681 1.00 11.45 H new ATOM 0 HG3 GLU A 79 -15.949 -4.314 0.592 1.00 11.45 H new ATOM 1255 N ILE A 80 -13.445 -6.212 4.263 1.00 1.53 N ATOM 1256 CA ILE A 80 -12.277 -6.107 5.129 1.00 41.21 C ATOM 1257 C ILE A 80 -11.149 -7.010 4.642 1.00 31.42 C ATOM 1258 O ILE A 80 -10.019 -6.562 4.451 1.00 42.50 O ATOM 1259 CB ILE A 80 -12.621 -6.473 6.585 1.00 44.40 C ATOM 1260 CG1 ILE A 80 -13.728 -5.559 7.115 1.00 23.45 C ATOM 1261 CG2 ILE A 80 -11.381 -6.376 7.462 1.00 72.10 C ATOM 1262 CD1 ILE A 80 -14.413 -6.097 8.352 1.00 11.43 C ATOM 0 H ILE A 80 -14.234 -6.708 4.677 1.00 1.53 H new ATOM 0 HA ILE A 80 -11.949 -5.068 5.092 1.00 41.21 H new ATOM 0 HB ILE A 80 -12.981 -7.501 6.611 1.00 44.40 H new ATOM 0 HG12 ILE A 80 -13.304 -4.581 7.341 1.00 23.45 H new ATOM 0 HG13 ILE A 80 -14.472 -5.411 6.332 1.00 23.45 H new ATOM 0 HG21 ILE A 80 -11.640 -6.637 8.488 1.00 72.10 H new ATOM 0 HG22 ILE A 80 -10.620 -7.064 7.093 1.00 72.10 H new ATOM 0 HG23 ILE A 80 -10.994 -5.357 7.434 1.00 72.10 H new ATOM 0 HD11 ILE A 80 -15.186 -5.399 8.673 1.00 11.43 H new ATOM 0 HD12 ILE A 80 -14.867 -7.062 8.126 1.00 11.43 H new ATOM 0 HD13 ILE A 80 -13.680 -6.219 9.150 1.00 11.43 H new ATOM 1274 N ASP A 81 -11.465 -8.285 4.442 1.00 64.20 N ATOM 1275 CA ASP A 81 -10.479 -9.252 3.974 1.00 24.52 C ATOM 1276 C ASP A 81 -9.775 -8.747 2.718 1.00 31.34 C ATOM 1277 O ASP A 81 -8.575 -8.953 2.543 1.00 45.22 O ATOM 1278 CB ASP A 81 -11.147 -10.599 3.692 1.00 14.25 C ATOM 1279 CG ASP A 81 -10.316 -11.771 4.176 1.00 42.33 C ATOM 1280 OD1 ASP A 81 -9.232 -12.007 3.601 1.00 74.02 O ATOM 1281 OD2 ASP A 81 -10.748 -12.451 5.129 1.00 21.13 O ATOM 0 H ASP A 81 -12.396 -8.673 4.597 1.00 64.20 H new ATOM 0 HA ASP A 81 -9.734 -9.382 4.759 1.00 24.52 H new ATOM 0 HB2 ASP A 81 -12.123 -10.625 4.176 1.00 14.25 H new ATOM 0 HB3 ASP A 81 -11.320 -10.698 2.620 1.00 14.25 H new ATOM 1286 N MET A 82 -10.531 -8.087 1.848 1.00 53.32 N ATOM 1287 CA MET A 82 -9.980 -7.552 0.608 1.00 24.22 C ATOM 1288 C MET A 82 -9.099 -6.338 0.884 1.00 2.22 C ATOM 1289 O MET A 82 -8.028 -6.190 0.296 1.00 1.24 O ATOM 1290 CB MET A 82 -11.106 -7.172 -0.354 1.00 54.51 C ATOM 1291 CG MET A 82 -11.808 -8.370 -0.973 1.00 0.32 C ATOM 1292 SD MET A 82 -13.287 -7.908 -1.896 1.00 23.54 S ATOM 1293 CE MET A 82 -13.619 -9.428 -2.784 1.00 11.12 C ATOM 0 H MET A 82 -11.527 -7.909 1.978 1.00 53.32 H new ATOM 0 HA MET A 82 -9.366 -8.327 0.148 1.00 24.22 H new ATOM 0 HB2 MET A 82 -11.840 -6.567 0.179 1.00 54.51 H new ATOM 0 HB3 MET A 82 -10.698 -6.549 -1.150 1.00 54.51 H new ATOM 0 HG2 MET A 82 -11.117 -8.888 -1.638 1.00 0.32 H new ATOM 0 HG3 MET A 82 -12.080 -9.073 -0.186 1.00 0.32 H new ATOM 0 HE1 MET A 82 -14.676 -9.472 -3.048 1.00 11.12 H new ATOM 0 HE2 MET A 82 -13.017 -9.458 -3.692 1.00 11.12 H new ATOM 0 HE3 MET A 82 -13.367 -10.280 -2.153 1.00 11.12 H new ATOM 1303 N ALA A 83 -9.557 -5.471 1.782 1.00 75.54 N ATOM 1304 CA ALA A 83 -8.810 -4.271 2.136 1.00 32.32 C ATOM 1305 C ALA A 83 -7.393 -4.618 2.580 1.00 71.00 C ATOM 1306 O ALA A 83 -6.432 -3.950 2.198 1.00 50.32 O ATOM 1307 CB ALA A 83 -9.535 -3.502 3.231 1.00 61.40 C ATOM 0 H ALA A 83 -10.442 -5.578 2.277 1.00 75.54 H new ATOM 0 HA ALA A 83 -8.741 -3.641 1.249 1.00 32.32 H new ATOM 0 HB1 ALA A 83 -8.966 -2.608 3.486 1.00 61.40 H new ATOM 0 HB2 ALA A 83 -10.525 -3.214 2.878 1.00 61.40 H new ATOM 0 HB3 ALA A 83 -9.634 -4.133 4.114 1.00 61.40 H new ATOM 1313 N ILE A 84 -7.271 -5.665 3.389 1.00 61.35 N ATOM 1314 CA ILE A 84 -5.971 -6.100 3.884 1.00 63.05 C ATOM 1315 C ILE A 84 -5.138 -6.723 2.768 1.00 11.11 C ATOM 1316 O ILE A 84 -4.008 -6.305 2.515 1.00 21.41 O ATOM 1317 CB ILE A 84 -6.116 -7.118 5.030 1.00 74.22 C ATOM 1318 CG1 ILE A 84 -7.076 -6.585 6.096 1.00 61.02 C ATOM 1319 CG2 ILE A 84 -4.757 -7.427 5.640 1.00 73.23 C ATOM 1320 CD1 ILE A 84 -6.616 -5.290 6.729 1.00 34.52 C ATOM 0 H ILE A 84 -8.057 -6.228 3.716 1.00 61.35 H new ATOM 0 HA ILE A 84 -5.464 -5.212 4.261 1.00 63.05 H new ATOM 0 HB ILE A 84 -6.529 -8.042 4.625 1.00 74.22 H new ATOM 0 HG12 ILE A 84 -8.057 -6.432 5.646 1.00 61.02 H new ATOM 0 HG13 ILE A 84 -7.196 -7.338 6.875 1.00 61.02 H new ATOM 0 HG21 ILE A 84 -4.877 -8.148 6.449 1.00 73.23 H new ATOM 0 HG22 ILE A 84 -4.101 -7.844 4.876 1.00 73.23 H new ATOM 0 HG23 ILE A 84 -4.318 -6.510 6.033 1.00 73.23 H new ATOM 0 HD11 ILE A 84 -7.344 -4.971 7.475 1.00 34.52 H new ATOM 0 HD12 ILE A 84 -5.649 -5.443 7.208 1.00 34.52 H new ATOM 0 HD13 ILE A 84 -6.523 -4.522 5.961 1.00 34.52 H new ATOM 1332 N VAL A 85 -5.705 -7.724 2.102 1.00 11.12 N ATOM 1333 CA VAL A 85 -5.017 -8.403 1.011 1.00 23.21 C ATOM 1334 C VAL A 85 -4.527 -7.407 -0.034 1.00 60.32 C ATOM 1335 O VAL A 85 -3.416 -7.529 -0.552 1.00 54.04 O ATOM 1336 CB VAL A 85 -5.931 -9.439 0.329 1.00 4.42 C ATOM 1337 CG1 VAL A 85 -5.205 -10.113 -0.826 1.00 15.44 C ATOM 1338 CG2 VAL A 85 -6.415 -10.468 1.339 1.00 22.10 C ATOM 0 H VAL A 85 -6.639 -8.083 2.299 1.00 11.12 H new ATOM 0 HA VAL A 85 -4.161 -8.917 1.448 1.00 23.21 H new ATOM 0 HB VAL A 85 -6.802 -8.921 -0.074 1.00 4.42 H new ATOM 0 HG11 VAL A 85 -5.866 -10.841 -1.296 1.00 15.44 H new ATOM 0 HG12 VAL A 85 -4.913 -9.362 -1.560 1.00 15.44 H new ATOM 0 HG13 VAL A 85 -4.315 -10.619 -0.451 1.00 15.44 H new ATOM 0 HG21 VAL A 85 -7.059 -11.192 0.840 1.00 22.10 H new ATOM 0 HG22 VAL A 85 -5.558 -10.983 1.773 1.00 22.10 H new ATOM 0 HG23 VAL A 85 -6.975 -9.967 2.129 1.00 22.10 H new ATOM 1348 N THR A 86 -5.363 -6.420 -0.341 1.00 30.03 N ATOM 1349 CA THR A 86 -5.016 -5.403 -1.325 1.00 12.52 C ATOM 1350 C THR A 86 -3.832 -4.565 -0.856 1.00 24.40 C ATOM 1351 O THR A 86 -2.887 -4.330 -1.611 1.00 12.21 O ATOM 1352 CB THR A 86 -6.208 -4.470 -1.612 1.00 42.32 C ATOM 1353 OG1 THR A 86 -6.719 -3.936 -0.386 1.00 33.23 O ATOM 1354 CG2 THR A 86 -7.312 -5.214 -2.347 1.00 54.43 C ATOM 0 H THR A 86 -6.286 -6.304 0.078 1.00 30.03 H new ATOM 0 HA THR A 86 -4.746 -5.929 -2.241 1.00 12.52 H new ATOM 0 HB THR A 86 -5.858 -3.654 -2.244 1.00 42.32 H new ATOM 0 HG1 THR A 86 -7.361 -4.566 0.003 1.00 33.23 H new ATOM 0 HG21 THR A 86 -8.143 -4.535 -2.539 1.00 54.43 H new ATOM 0 HG22 THR A 86 -6.927 -5.593 -3.294 1.00 54.43 H new ATOM 0 HG23 THR A 86 -7.658 -6.048 -1.736 1.00 54.43 H new ATOM 1362 N LEU A 87 -3.887 -4.119 0.394 1.00 43.32 N ATOM 1363 CA LEU A 87 -2.817 -3.307 0.964 1.00 22.53 C ATOM 1364 C LEU A 87 -1.475 -4.027 0.864 1.00 54.33 C ATOM 1365 O LEU A 87 -0.434 -3.398 0.677 1.00 43.33 O ATOM 1366 CB LEU A 87 -3.124 -2.978 2.426 1.00 24.43 C ATOM 1367 CG LEU A 87 -3.583 -1.548 2.710 1.00 2.22 C ATOM 1368 CD1 LEU A 87 -2.441 -0.567 2.491 1.00 72.33 C ATOM 1369 CD2 LEU A 87 -4.774 -1.187 1.835 1.00 13.42 C ATOM 0 H LEU A 87 -4.661 -4.306 1.032 1.00 43.32 H new ATOM 0 HA LEU A 87 -2.755 -2.380 0.394 1.00 22.53 H new ATOM 0 HB2 LEU A 87 -3.896 -3.663 2.777 1.00 24.43 H new ATOM 0 HB3 LEU A 87 -2.230 -3.175 3.017 1.00 24.43 H new ATOM 0 HG LEU A 87 -3.892 -1.486 3.753 1.00 2.22 H new ATOM 0 HD11 LEU A 87 -2.787 0.446 2.698 1.00 72.33 H new ATOM 0 HD12 LEU A 87 -1.617 -0.813 3.160 1.00 72.33 H new ATOM 0 HD13 LEU A 87 -2.100 -0.630 1.458 1.00 72.33 H new ATOM 0 HD21 LEU A 87 -5.088 -0.166 2.051 1.00 13.42 H new ATOM 0 HD22 LEU A 87 -4.491 -1.266 0.785 1.00 13.42 H new ATOM 0 HD23 LEU A 87 -5.598 -1.870 2.041 1.00 13.42 H new ATOM 1381 N LYS A 88 -1.508 -5.349 0.987 1.00 74.21 N ATOM 1382 CA LYS A 88 -0.297 -6.156 0.907 1.00 64.14 C ATOM 1383 C LYS A 88 0.193 -6.261 -0.534 1.00 52.23 C ATOM 1384 O LYS A 88 1.271 -5.772 -0.871 1.00 40.45 O ATOM 1385 CB LYS A 88 -0.552 -7.555 1.473 1.00 51.25 C ATOM 1386 CG LYS A 88 0.281 -7.875 2.701 1.00 22.24 C ATOM 1387 CD LYS A 88 -0.473 -8.772 3.668 1.00 32.33 C ATOM 1388 CE LYS A 88 -1.077 -7.974 4.813 1.00 33.14 C ATOM 1389 NZ LYS A 88 -0.340 -8.189 6.089 1.00 23.11 N ATOM 0 H LYS A 88 -2.362 -5.885 1.143 1.00 74.21 H new ATOM 0 HA LYS A 88 0.475 -5.666 1.500 1.00 64.14 H new ATOM 0 HB2 LYS A 88 -1.608 -7.648 1.726 1.00 51.25 H new ATOM 0 HB3 LYS A 88 -0.343 -8.294 0.700 1.00 51.25 H new ATOM 0 HG2 LYS A 88 1.207 -8.363 2.397 1.00 22.24 H new ATOM 0 HG3 LYS A 88 0.560 -6.949 3.204 1.00 22.24 H new ATOM 0 HD2 LYS A 88 -1.263 -9.300 3.135 1.00 32.33 H new ATOM 0 HD3 LYS A 88 0.203 -9.528 4.067 1.00 32.33 H new ATOM 0 HE2 LYS A 88 -1.066 -6.913 4.562 1.00 33.14 H new ATOM 0 HE3 LYS A 88 -2.121 -8.260 4.944 1.00 33.14 H new ATOM 0 HZ1 LYS A 88 -0.783 -7.628 6.844 1.00 23.11 H new ATOM 0 HZ2 LYS A 88 -0.372 -9.197 6.343 1.00 23.11 H new ATOM 0 HZ3 LYS A 88 0.650 -7.892 5.972 1.00 23.11 H new ATOM 1403 N VAL A 89 -0.607 -6.901 -1.381 1.00 53.33 N ATOM 1404 CA VAL A 89 -0.257 -7.067 -2.787 1.00 24.13 C ATOM 1405 C VAL A 89 0.132 -5.735 -3.418 1.00 15.32 C ATOM 1406 O VAL A 89 1.017 -5.674 -4.272 1.00 35.25 O ATOM 1407 CB VAL A 89 -1.421 -7.682 -3.587 1.00 4.33 C ATOM 1408 CG1 VAL A 89 -1.727 -9.086 -3.090 1.00 61.51 C ATOM 1409 CG2 VAL A 89 -2.654 -6.795 -3.498 1.00 63.44 C ATOM 0 H VAL A 89 -1.502 -7.313 -1.118 1.00 53.33 H new ATOM 0 HA VAL A 89 0.596 -7.745 -2.823 1.00 24.13 H new ATOM 0 HB VAL A 89 -1.125 -7.750 -4.634 1.00 4.33 H new ATOM 0 HG11 VAL A 89 -2.552 -9.504 -3.667 1.00 61.51 H new ATOM 0 HG12 VAL A 89 -0.845 -9.715 -3.210 1.00 61.51 H new ATOM 0 HG13 VAL A 89 -2.004 -9.047 -2.037 1.00 61.51 H new ATOM 0 HG21 VAL A 89 -3.467 -7.244 -4.069 1.00 63.44 H new ATOM 0 HG22 VAL A 89 -2.955 -6.694 -2.455 1.00 63.44 H new ATOM 0 HG23 VAL A 89 -2.424 -5.811 -3.906 1.00 63.44 H new ATOM 1419 N PHE A 90 -0.536 -4.668 -2.992 1.00 12.44 N ATOM 1420 CA PHE A 90 -0.262 -3.335 -3.515 1.00 43.42 C ATOM 1421 C PHE A 90 1.018 -2.765 -2.909 1.00 74.01 C ATOM 1422 O PHE A 90 1.741 -2.009 -3.557 1.00 12.22 O ATOM 1423 CB PHE A 90 -1.437 -2.398 -3.227 1.00 21.23 C ATOM 1424 CG PHE A 90 -1.153 -0.961 -3.556 1.00 3.41 C ATOM 1425 CD1 PHE A 90 -0.581 -0.614 -4.769 1.00 53.25 C ATOM 1426 CD2 PHE A 90 -1.457 0.044 -2.651 1.00 44.13 C ATOM 1427 CE1 PHE A 90 -0.319 0.708 -5.076 1.00 3.33 C ATOM 1428 CE2 PHE A 90 -1.197 1.368 -2.952 1.00 62.31 C ATOM 1429 CZ PHE A 90 -0.626 1.700 -4.165 1.00 50.22 C ATOM 0 H PHE A 90 -1.271 -4.701 -2.286 1.00 12.44 H new ATOM 0 HA PHE A 90 -0.128 -3.417 -4.594 1.00 43.42 H new ATOM 0 HB2 PHE A 90 -2.304 -2.729 -3.799 1.00 21.23 H new ATOM 0 HB3 PHE A 90 -1.703 -2.475 -2.173 1.00 21.23 H new ATOM 0 HD1 PHE A 90 -0.337 -1.386 -5.484 1.00 53.25 H new ATOM 0 HD2 PHE A 90 -1.902 -0.210 -1.700 1.00 44.13 H new ATOM 0 HE1 PHE A 90 0.125 0.965 -6.026 1.00 3.33 H new ATOM 0 HE2 PHE A 90 -1.440 2.142 -2.239 1.00 62.31 H new ATOM 0 HZ PHE A 90 -0.420 2.734 -4.401 1.00 50.22 H new ATOM 1439 N ALA A 91 1.289 -3.134 -1.662 1.00 4.24 N ATOM 1440 CA ALA A 91 2.481 -2.662 -0.968 1.00 1.42 C ATOM 1441 C ALA A 91 3.748 -3.184 -1.636 1.00 45.20 C ATOM 1442 O ALA A 91 4.639 -2.411 -1.991 1.00 31.23 O ATOM 1443 CB ALA A 91 2.442 -3.081 0.494 1.00 32.12 C ATOM 0 H ALA A 91 0.700 -3.758 -1.111 1.00 4.24 H new ATOM 0 HA ALA A 91 2.495 -1.573 -1.022 1.00 1.42 H new ATOM 0 HB1 ALA A 91 3.338 -2.722 1.000 1.00 32.12 H new ATOM 0 HB2 ALA A 91 1.560 -2.654 0.972 1.00 32.12 H new ATOM 0 HB3 ALA A 91 2.400 -4.168 0.560 1.00 32.12 H new ATOM 1449 N VAL A 92 3.824 -4.500 -1.804 1.00 72.25 N ATOM 1450 CA VAL A 92 4.982 -5.126 -2.431 1.00 4.24 C ATOM 1451 C VAL A 92 5.048 -4.797 -3.918 1.00 34.21 C ATOM 1452 O VAL A 92 6.046 -4.265 -4.403 1.00 74.53 O ATOM 1453 CB VAL A 92 4.958 -6.656 -2.255 1.00 12.23 C ATOM 1454 CG1 VAL A 92 6.262 -7.270 -2.739 1.00 24.24 C ATOM 1455 CG2 VAL A 92 4.694 -7.020 -0.802 1.00 32.34 C ATOM 0 H VAL A 92 3.097 -5.154 -1.514 1.00 72.25 H new ATOM 0 HA VAL A 92 5.865 -4.725 -1.934 1.00 4.24 H new ATOM 0 HB VAL A 92 4.147 -7.062 -2.861 1.00 12.23 H new ATOM 0 HG11 VAL A 92 6.226 -8.351 -2.607 1.00 24.24 H new ATOM 0 HG12 VAL A 92 6.404 -7.038 -3.795 1.00 24.24 H new ATOM 0 HG13 VAL A 92 7.092 -6.861 -2.163 1.00 24.24 H new ATOM 0 HG21 VAL A 92 4.680 -8.105 -0.695 1.00 32.34 H new ATOM 0 HG22 VAL A 92 5.481 -6.604 -0.174 1.00 32.34 H new ATOM 0 HG23 VAL A 92 3.731 -6.613 -0.494 1.00 32.34 H new ATOM 1465 N ALA A 93 3.976 -5.117 -4.636 1.00 64.14 N ATOM 1466 CA ALA A 93 3.911 -4.854 -6.069 1.00 15.35 C ATOM 1467 C ALA A 93 3.993 -3.358 -6.356 1.00 34.31 C ATOM 1468 O ALA A 93 4.260 -2.947 -7.484 1.00 42.10 O ATOM 1469 CB ALA A 93 2.633 -5.436 -6.654 1.00 72.21 C ATOM 0 H ALA A 93 3.142 -5.558 -4.249 1.00 64.14 H new ATOM 0 HA ALA A 93 4.767 -5.336 -6.542 1.00 15.35 H new ATOM 0 HB1 ALA A 93 2.597 -5.233 -7.724 1.00 72.21 H new ATOM 0 HB2 ALA A 93 2.615 -6.513 -6.489 1.00 72.21 H new ATOM 0 HB3 ALA A 93 1.770 -4.980 -6.169 1.00 72.21 H new ATOM 1475 N GLY A 94 3.760 -2.549 -5.327 1.00 53.21 N ATOM 1476 CA GLY A 94 3.811 -1.108 -5.491 1.00 4.34 C ATOM 1477 C GLY A 94 5.153 -0.527 -5.091 1.00 1.40 C ATOM 1478 O GLY A 94 5.936 -0.107 -5.945 1.00 33.13 O ATOM 0 H GLY A 94 3.537 -2.866 -4.383 1.00 53.21 H new ATOM 0 HA2 GLY A 94 3.605 -0.856 -6.531 1.00 4.34 H new ATOM 0 HA3 GLY A 94 3.026 -0.649 -4.890 1.00 4.34 H new ATOM 1482 N LEU A 95 5.420 -0.499 -3.790 1.00 23.50 N ATOM 1483 CA LEU A 95 6.677 0.037 -3.278 1.00 33.40 C ATOM 1484 C LEU A 95 7.866 -0.741 -3.831 1.00 64.35 C ATOM 1485 O LEU A 95 8.855 -0.154 -4.272 1.00 5.23 O ATOM 1486 CB LEU A 95 6.689 -0.011 -1.749 1.00 53.31 C ATOM 1487 CG LEU A 95 5.848 1.051 -1.038 1.00 65.21 C ATOM 1488 CD1 LEU A 95 6.240 2.444 -1.506 1.00 63.44 C ATOM 1489 CD2 LEU A 95 4.366 0.804 -1.275 1.00 73.11 C ATOM 0 H LEU A 95 4.783 -0.841 -3.070 1.00 23.50 H new ATOM 0 HA LEU A 95 6.761 1.074 -3.604 1.00 33.40 H new ATOM 0 HB2 LEU A 95 6.339 -0.994 -1.433 1.00 53.31 H new ATOM 0 HB3 LEU A 95 7.721 0.084 -1.410 1.00 53.31 H new ATOM 0 HG LEU A 95 6.041 0.983 0.033 1.00 65.21 H new ATOM 0 HD11 LEU A 95 5.631 3.186 -0.989 1.00 63.44 H new ATOM 0 HD12 LEU A 95 7.293 2.620 -1.284 1.00 63.44 H new ATOM 0 HD13 LEU A 95 6.078 2.526 -2.581 1.00 63.44 H new ATOM 0 HD21 LEU A 95 3.783 1.569 -0.762 1.00 73.11 H new ATOM 0 HD22 LEU A 95 4.157 0.844 -2.344 1.00 73.11 H new ATOM 0 HD23 LEU A 95 4.095 -0.179 -0.889 1.00 73.11 H new ATOM 1501 N LEU A 96 7.763 -2.065 -3.808 1.00 61.42 N ATOM 1502 CA LEU A 96 8.830 -2.925 -4.310 1.00 12.10 C ATOM 1503 C LEU A 96 8.686 -3.150 -5.812 1.00 25.32 C ATOM 1504 O LEU A 96 9.510 -3.823 -6.430 1.00 24.13 O ATOM 1505 CB LEU A 96 8.816 -4.268 -3.578 1.00 5.13 C ATOM 1506 CG LEU A 96 10.107 -4.649 -2.851 1.00 52.01 C ATOM 1507 CD1 LEU A 96 9.912 -4.578 -1.344 1.00 72.25 C ATOM 1508 CD2 LEU A 96 10.562 -6.040 -3.267 1.00 62.11 C ATOM 0 H LEU A 96 6.952 -2.567 -3.447 1.00 61.42 H new ATOM 0 HA LEU A 96 9.782 -2.427 -4.125 1.00 12.10 H new ATOM 0 HB2 LEU A 96 8.004 -4.255 -2.851 1.00 5.13 H new ATOM 0 HB3 LEU A 96 8.585 -5.051 -4.300 1.00 5.13 H new ATOM 0 HG LEU A 96 10.883 -3.936 -3.130 1.00 52.01 H new ATOM 0 HD11 LEU A 96 10.841 -4.852 -0.844 1.00 72.25 H new ATOM 0 HD12 LEU A 96 9.633 -3.563 -1.061 1.00 72.25 H new ATOM 0 HD13 LEU A 96 9.122 -5.268 -1.046 1.00 72.25 H new ATOM 0 HD21 LEU A 96 11.482 -6.295 -2.740 1.00 62.11 H new ATOM 0 HD22 LEU A 96 9.788 -6.766 -3.018 1.00 62.11 H new ATOM 0 HD23 LEU A 96 10.743 -6.057 -4.342 1.00 62.11 H new ATOM 1520 N ASN A 97 7.635 -2.581 -6.393 1.00 5.32 N ATOM 1521 CA ASN A 97 7.385 -2.718 -7.823 1.00 21.11 C ATOM 1522 C ASN A 97 7.415 -4.185 -8.242 1.00 45.31 C ATOM 1523 O ASN A 97 7.764 -4.509 -9.377 1.00 21.22 O ATOM 1524 CB ASN A 97 8.422 -1.926 -8.622 1.00 22.22 C ATOM 1525 CG ASN A 97 8.225 -0.428 -8.499 1.00 5.51 C ATOM 1526 OD1 ASN A 97 7.098 0.066 -8.529 1.00 42.34 O ATOM 1527 ND2 ASN A 97 9.325 0.304 -8.359 1.00 70.13 N ATOM 0 H ASN A 97 6.943 -2.021 -5.896 1.00 5.32 H new ATOM 0 HA ASN A 97 6.393 -2.319 -8.033 1.00 21.11 H new ATOM 0 HB2 ASN A 97 9.422 -2.188 -8.275 1.00 22.22 H new ATOM 0 HB3 ASN A 97 8.364 -2.212 -9.672 1.00 22.22 H new ATOM 0 HD21 ASN A 97 9.255 1.318 -8.271 1.00 70.13 H new ATOM 0 HD22 ASN A 97 10.239 -0.148 -8.339 1.00 70.13 H new ATOM 1534 N MET A 98 7.047 -5.066 -7.318 1.00 63.32 N ATOM 1535 CA MET A 98 7.031 -6.498 -7.593 1.00 34.44 C ATOM 1536 C MET A 98 6.025 -6.830 -8.691 1.00 11.15 C ATOM 1537 O MET A 98 5.431 -5.936 -9.294 1.00 41.41 O ATOM 1538 CB MET A 98 6.691 -7.279 -6.321 1.00 63.14 C ATOM 1539 CG MET A 98 7.813 -8.191 -5.851 1.00 35.31 C ATOM 1540 SD MET A 98 7.491 -9.929 -6.210 1.00 43.21 S ATOM 1541 CE MET A 98 8.718 -10.245 -7.477 1.00 33.14 C ATOM 0 H MET A 98 6.756 -4.814 -6.373 1.00 63.32 H new ATOM 0 HA MET A 98 8.024 -6.788 -7.935 1.00 34.44 H new ATOM 0 HB2 MET A 98 6.449 -6.574 -5.525 1.00 63.14 H new ATOM 0 HB3 MET A 98 5.798 -7.878 -6.500 1.00 63.14 H new ATOM 0 HG2 MET A 98 8.745 -7.891 -6.331 1.00 35.31 H new ATOM 0 HG3 MET A 98 7.953 -8.065 -4.777 1.00 35.31 H new ATOM 0 HE1 MET A 98 8.645 -11.283 -7.803 1.00 33.14 H new ATOM 0 HE2 MET A 98 8.543 -9.585 -8.326 1.00 33.14 H new ATOM 0 HE3 MET A 98 9.714 -10.060 -7.073 1.00 33.14 H new ATOM 1551 N THR A 99 5.838 -8.121 -8.946 1.00 32.34 N ATOM 1552 CA THR A 99 4.905 -8.570 -9.972 1.00 23.44 C ATOM 1553 C THR A 99 4.188 -9.845 -9.543 1.00 30.24 C ATOM 1554 O THR A 99 4.103 -10.808 -10.305 1.00 22.44 O ATOM 1555 CB THR A 99 5.623 -8.825 -11.311 1.00 1.44 C ATOM 1556 OG1 THR A 99 6.731 -9.709 -11.112 1.00 63.51 O ATOM 1557 CG2 THR A 99 6.113 -7.519 -11.919 1.00 13.14 C ATOM 0 H THR A 99 6.320 -8.874 -8.456 1.00 32.34 H new ATOM 0 HA THR A 99 4.174 -7.772 -10.106 1.00 23.44 H new ATOM 0 HB THR A 99 4.912 -9.284 -11.998 1.00 1.44 H new ATOM 0 HG1 THR A 99 7.181 -9.867 -11.968 1.00 63.51 H new ATOM 0 HG21 THR A 99 6.617 -7.724 -12.864 1.00 13.14 H new ATOM 0 HG22 THR A 99 5.264 -6.859 -12.096 1.00 13.14 H new ATOM 0 HG23 THR A 99 6.810 -7.037 -11.233 1.00 13.14 H new ATOM 1565 N VAL A 100 3.672 -9.845 -8.318 1.00 13.44 N ATOM 1566 CA VAL A 100 2.959 -11.001 -7.788 1.00 23.13 C ATOM 1567 C VAL A 100 1.634 -11.210 -8.512 1.00 43.32 C ATOM 1568 O VAL A 100 1.060 -10.269 -9.061 1.00 64.21 O ATOM 1569 CB VAL A 100 2.689 -10.851 -6.279 1.00 13.31 C ATOM 1570 CG1 VAL A 100 3.984 -10.967 -5.490 1.00 31.12 C ATOM 1571 CG2 VAL A 100 1.997 -9.527 -5.992 1.00 11.35 C ATOM 0 H VAL A 100 3.735 -9.057 -7.674 1.00 13.44 H new ATOM 0 HA VAL A 100 3.599 -11.868 -7.951 1.00 23.13 H new ATOM 0 HB VAL A 100 2.027 -11.658 -5.964 1.00 13.31 H new ATOM 0 HG11 VAL A 100 3.773 -10.858 -4.426 1.00 31.12 H new ATOM 0 HG12 VAL A 100 4.435 -11.942 -5.673 1.00 31.12 H new ATOM 0 HG13 VAL A 100 4.673 -10.184 -5.805 1.00 31.12 H new ATOM 0 HG21 VAL A 100 1.813 -9.437 -4.921 1.00 11.35 H new ATOM 0 HG22 VAL A 100 2.633 -8.705 -6.322 1.00 11.35 H new ATOM 0 HG23 VAL A 100 1.048 -9.489 -6.527 1.00 11.35 H new ATOM 1581 N SER A 101 1.153 -12.449 -8.509 1.00 42.23 N ATOM 1582 CA SER A 101 -0.104 -12.782 -9.169 1.00 64.43 C ATOM 1583 C SER A 101 -1.086 -13.407 -8.183 1.00 60.12 C ATOM 1584 O SER A 101 -2.217 -13.739 -8.540 1.00 50.32 O ATOM 1585 CB SER A 101 0.147 -13.742 -10.334 1.00 53.13 C ATOM 1586 OG SER A 101 0.679 -13.056 -11.454 1.00 71.14 O ATOM 0 H SER A 101 1.614 -13.239 -8.057 1.00 42.23 H new ATOM 0 HA SER A 101 -0.540 -11.860 -9.554 1.00 64.43 H new ATOM 0 HB2 SER A 101 0.838 -14.525 -10.022 1.00 53.13 H new ATOM 0 HB3 SER A 101 -0.786 -14.232 -10.613 1.00 53.13 H new ATOM 0 HG SER A 101 0.832 -13.691 -12.184 1.00 71.14 H new ATOM 1592 N THR A 102 -0.646 -13.565 -6.939 1.00 23.23 N ATOM 1593 CA THR A 102 -1.484 -14.151 -5.900 1.00 42.21 C ATOM 1594 C THR A 102 -1.209 -13.509 -4.545 1.00 55.42 C ATOM 1595 O THR A 102 -0.068 -13.181 -4.223 1.00 10.41 O ATOM 1596 CB THR A 102 -1.261 -15.671 -5.789 1.00 73.04 C ATOM 1597 OG1 THR A 102 -0.001 -15.937 -5.165 1.00 24.43 O ATOM 1598 CG2 THR A 102 -1.301 -16.325 -7.162 1.00 60.13 C ATOM 0 H THR A 102 0.287 -13.295 -6.626 1.00 23.23 H new ATOM 0 HA THR A 102 -2.519 -13.963 -6.185 1.00 42.21 H new ATOM 0 HB THR A 102 -2.062 -16.090 -5.181 1.00 73.04 H new ATOM 0 HG1 THR A 102 0.132 -16.905 -5.097 1.00 24.43 H new ATOM 0 HG21 THR A 102 -1.141 -17.398 -7.059 1.00 60.13 H new ATOM 0 HG22 THR A 102 -2.273 -16.146 -7.622 1.00 60.13 H new ATOM 0 HG23 THR A 102 -0.518 -15.900 -7.790 1.00 60.13 H new ATOM 1606 N ALA A 103 -2.263 -13.332 -3.755 1.00 33.31 N ATOM 1607 CA ALA A 103 -2.135 -12.732 -2.433 1.00 40.30 C ATOM 1608 C ALA A 103 -1.053 -13.429 -1.616 1.00 23.01 C ATOM 1609 O ALA A 103 -0.350 -12.795 -0.830 1.00 3.31 O ATOM 1610 CB ALA A 103 -3.467 -12.781 -1.699 1.00 40.13 C ATOM 0 H ALA A 103 -3.215 -13.596 -4.008 1.00 33.31 H new ATOM 0 HA ALA A 103 -1.842 -11.690 -2.562 1.00 40.30 H new ATOM 0 HB1 ALA A 103 -3.356 -12.329 -0.713 1.00 40.13 H new ATOM 0 HB2 ALA A 103 -4.216 -12.231 -2.268 1.00 40.13 H new ATOM 0 HB3 ALA A 103 -3.784 -13.818 -1.589 1.00 40.13 H new ATOM 1616 N ALA A 104 -0.925 -14.738 -1.806 1.00 70.15 N ATOM 1617 CA ALA A 104 0.073 -15.521 -1.088 1.00 14.02 C ATOM 1618 C ALA A 104 1.485 -15.069 -1.442 1.00 41.34 C ATOM 1619 O ALA A 104 2.312 -14.836 -0.561 1.00 51.23 O ATOM 1620 CB ALA A 104 -0.101 -17.002 -1.390 1.00 61.00 C ATOM 0 H ALA A 104 -1.500 -15.279 -2.452 1.00 70.15 H new ATOM 0 HA ALA A 104 -0.074 -15.359 -0.020 1.00 14.02 H new ATOM 0 HB1 ALA A 104 0.651 -17.575 -0.847 1.00 61.00 H new ATOM 0 HB2 ALA A 104 -1.095 -17.322 -1.079 1.00 61.00 H new ATOM 0 HB3 ALA A 104 0.017 -17.171 -2.460 1.00 61.00 H new ATOM 1626 N ALA A 105 1.755 -14.947 -2.738 1.00 73.21 N ATOM 1627 CA ALA A 105 3.067 -14.522 -3.209 1.00 0.44 C ATOM 1628 C ALA A 105 3.425 -13.143 -2.663 1.00 63.32 C ATOM 1629 O ALA A 105 4.583 -12.874 -2.344 1.00 13.44 O ATOM 1630 CB ALA A 105 3.106 -14.516 -4.730 1.00 0.14 C ATOM 0 H ALA A 105 1.082 -15.137 -3.480 1.00 73.21 H new ATOM 0 HA ALA A 105 3.806 -15.234 -2.841 1.00 0.44 H new ATOM 0 HB1 ALA A 105 4.092 -14.197 -5.067 1.00 0.14 H new ATOM 0 HB2 ALA A 105 2.902 -15.520 -5.103 1.00 0.14 H new ATOM 0 HB3 ALA A 105 2.352 -13.827 -5.111 1.00 0.14 H new ATOM 1636 N ALA A 106 2.425 -12.274 -2.560 1.00 70.42 N ATOM 1637 CA ALA A 106 2.635 -10.924 -2.052 1.00 60.52 C ATOM 1638 C ALA A 106 3.139 -10.952 -0.613 1.00 52.42 C ATOM 1639 O ALA A 106 4.164 -10.351 -0.294 1.00 64.22 O ATOM 1640 CB ALA A 106 1.348 -10.118 -2.148 1.00 21.41 C ATOM 0 H ALA A 106 1.461 -12.481 -2.822 1.00 70.42 H new ATOM 0 HA ALA A 106 3.397 -10.445 -2.667 1.00 60.52 H new ATOM 0 HB1 ALA A 106 1.519 -9.112 -1.765 1.00 21.41 H new ATOM 0 HB2 ALA A 106 1.031 -10.061 -3.189 1.00 21.41 H new ATOM 0 HB3 ALA A 106 0.570 -10.603 -1.558 1.00 21.41 H new ATOM 1646 N GLU A 107 2.410 -11.651 0.251 1.00 21.20 N ATOM 1647 CA GLU A 107 2.784 -11.754 1.657 1.00 72.13 C ATOM 1648 C GLU A 107 4.071 -12.557 1.820 1.00 31.41 C ATOM 1649 O GLU A 107 4.908 -12.243 2.664 1.00 3.45 O ATOM 1650 CB GLU A 107 1.657 -12.407 2.460 1.00 10.45 C ATOM 1651 CG GLU A 107 1.812 -12.250 3.964 1.00 41.12 C ATOM 1652 CD GLU A 107 0.658 -12.860 4.736 1.00 25.00 C ATOM 1653 OE1 GLU A 107 -0.223 -13.473 4.098 1.00 20.43 O ATOM 1654 OE2 GLU A 107 0.637 -12.724 5.977 1.00 33.21 O ATOM 0 H GLU A 107 1.558 -12.154 0.003 1.00 21.20 H new ATOM 0 HA GLU A 107 2.955 -10.747 2.036 1.00 72.13 H new ATOM 0 HB2 GLU A 107 0.705 -11.973 2.154 1.00 10.45 H new ATOM 0 HB3 GLU A 107 1.616 -13.469 2.216 1.00 10.45 H new ATOM 0 HG2 GLU A 107 2.744 -12.719 4.280 1.00 41.12 H new ATOM 0 HG3 GLU A 107 1.889 -11.191 4.209 1.00 41.12 H new ATOM 1661 N ASN A 108 4.220 -13.597 1.006 1.00 60.13 N ATOM 1662 CA ASN A 108 5.404 -14.447 1.060 1.00 0.10 C ATOM 1663 C ASN A 108 6.675 -13.620 0.892 1.00 62.24 C ATOM 1664 O ASN A 108 7.653 -13.814 1.613 1.00 45.24 O ATOM 1665 CB ASN A 108 5.335 -15.524 -0.025 1.00 12.51 C ATOM 1666 CG ASN A 108 6.489 -16.504 0.059 1.00 51.32 C ATOM 1667 OD1 ASN A 108 7.305 -16.442 0.978 1.00 0.25 O ATOM 1668 ND2 ASN A 108 6.562 -17.415 -0.904 1.00 71.12 N ATOM 0 H ASN A 108 3.536 -13.871 0.301 1.00 60.13 H new ATOM 0 HA ASN A 108 5.431 -14.928 2.038 1.00 0.10 H new ATOM 0 HB2 ASN A 108 4.394 -16.067 0.065 1.00 12.51 H new ATOM 0 HB3 ASN A 108 5.336 -15.048 -1.006 1.00 12.51 H new ATOM 0 HD21 ASN A 108 7.317 -18.101 -0.901 1.00 71.12 H new ATOM 0 HD22 ASN A 108 5.863 -17.429 -1.647 1.00 71.12 H new ATOM 1675 N MET A 109 6.652 -12.698 -0.065 1.00 63.12 N ATOM 1676 CA MET A 109 7.802 -11.840 -0.327 1.00 63.51 C ATOM 1677 C MET A 109 7.987 -10.821 0.793 1.00 71.51 C ATOM 1678 O MET A 109 9.097 -10.622 1.287 1.00 51.12 O ATOM 1679 CB MET A 109 7.633 -11.119 -1.666 1.00 25.42 C ATOM 1680 CG MET A 109 8.601 -11.594 -2.738 1.00 3.53 C ATOM 1681 SD MET A 109 10.311 -11.148 -2.376 1.00 53.14 S ATOM 1682 CE MET A 109 10.189 -9.362 -2.314 1.00 41.02 C ATOM 0 H MET A 109 5.850 -12.526 -0.672 1.00 63.12 H new ATOM 0 HA MET A 109 8.691 -12.470 -0.371 1.00 63.51 H new ATOM 0 HB2 MET A 109 6.612 -11.262 -2.020 1.00 25.42 H new ATOM 0 HB3 MET A 109 7.770 -10.049 -1.513 1.00 25.42 H new ATOM 0 HG2 MET A 109 8.525 -12.677 -2.837 1.00 3.53 H new ATOM 0 HG3 MET A 109 8.313 -11.165 -3.698 1.00 3.53 H new ATOM 0 HE1 MET A 109 11.088 -8.921 -2.745 1.00 41.02 H new ATOM 0 HE2 MET A 109 9.317 -9.037 -2.882 1.00 41.02 H new ATOM 0 HE3 MET A 109 10.088 -9.040 -1.278 1.00 41.02 H new ATOM 1692 N TYR A 110 6.893 -10.180 1.189 1.00 43.44 N ATOM 1693 CA TYR A 110 6.936 -9.179 2.248 1.00 34.24 C ATOM 1694 C TYR A 110 7.525 -9.765 3.528 1.00 72.52 C ATOM 1695 O TYR A 110 8.174 -9.064 4.304 1.00 34.20 O ATOM 1696 CB TYR A 110 5.532 -8.636 2.522 1.00 21.12 C ATOM 1697 CG TYR A 110 5.523 -7.218 3.047 1.00 62.12 C ATOM 1698 CD1 TYR A 110 6.005 -6.168 2.275 1.00 13.22 C ATOM 1699 CD2 TYR A 110 5.032 -6.929 4.314 1.00 2.50 C ATOM 1700 CE1 TYR A 110 5.999 -4.871 2.751 1.00 41.11 C ATOM 1701 CE2 TYR A 110 5.021 -5.634 4.797 1.00 24.44 C ATOM 1702 CZ TYR A 110 5.506 -4.609 4.012 1.00 23.23 C ATOM 1703 OH TYR A 110 5.498 -3.318 4.489 1.00 33.53 O ATOM 0 H TYR A 110 5.966 -10.336 0.793 1.00 43.44 H new ATOM 0 HA TYR A 110 7.576 -8.362 1.915 1.00 34.24 H new ATOM 0 HB2 TYR A 110 4.950 -8.677 1.602 1.00 21.12 H new ATOM 0 HB3 TYR A 110 5.035 -9.285 3.243 1.00 21.12 H new ATOM 0 HD1 TYR A 110 6.391 -6.369 1.286 1.00 13.22 H new ATOM 0 HD2 TYR A 110 4.653 -7.729 4.932 1.00 2.50 H new ATOM 0 HE1 TYR A 110 6.378 -4.066 2.139 1.00 41.11 H new ATOM 0 HE2 TYR A 110 4.635 -5.426 5.784 1.00 24.44 H new ATOM 0 HH TYR A 110 5.117 -3.305 5.392 1.00 33.53 H new ATOM 1713 N SER A 111 7.294 -11.057 3.740 1.00 60.20 N ATOM 1714 CA SER A 111 7.798 -11.739 4.926 1.00 24.02 C ATOM 1715 C SER A 111 9.223 -12.236 4.702 1.00 23.32 C ATOM 1716 O SER A 111 10.105 -12.020 5.534 1.00 74.25 O ATOM 1717 CB SER A 111 6.888 -12.913 5.291 1.00 10.04 C ATOM 1718 OG SER A 111 5.538 -12.497 5.399 1.00 54.20 O ATOM 0 H SER A 111 6.761 -11.652 3.106 1.00 60.20 H new ATOM 0 HA SER A 111 7.806 -11.025 5.750 1.00 24.02 H new ATOM 0 HB2 SER A 111 6.972 -13.692 4.533 1.00 10.04 H new ATOM 0 HB3 SER A 111 7.214 -13.350 6.235 1.00 10.04 H new ATOM 0 HG SER A 111 5.165 -12.360 4.503 1.00 54.20 H new ATOM 1724 N GLN A 112 9.440 -12.903 3.573 1.00 31.21 N ATOM 1725 CA GLN A 112 10.757 -13.432 3.240 1.00 62.14 C ATOM 1726 C GLN A 112 11.799 -12.319 3.208 1.00 52.43 C ATOM 1727 O GLN A 112 12.982 -12.555 3.449 1.00 61.51 O ATOM 1728 CB GLN A 112 10.716 -14.147 1.888 1.00 52.11 C ATOM 1729 CG GLN A 112 11.971 -14.949 1.585 1.00 20.11 C ATOM 1730 CD GLN A 112 12.234 -16.032 2.613 1.00 0.43 C ATOM 1731 OE1 GLN A 112 13.216 -15.975 3.354 1.00 62.12 O ATOM 1732 NE2 GLN A 112 11.355 -17.026 2.665 1.00 42.34 N ATOM 0 H GLN A 112 8.721 -13.090 2.874 1.00 31.21 H new ATOM 0 HA GLN A 112 11.039 -14.147 4.013 1.00 62.14 H new ATOM 0 HB2 GLN A 112 9.854 -14.814 1.865 1.00 52.11 H new ATOM 0 HB3 GLN A 112 10.568 -13.408 1.100 1.00 52.11 H new ATOM 0 HG2 GLN A 112 11.877 -15.404 0.599 1.00 20.11 H new ATOM 0 HG3 GLN A 112 12.827 -14.276 1.545 1.00 20.11 H new ATOM 0 HE21 GLN A 112 10.555 -17.033 2.032 1.00 42.34 H new ATOM 0 HE22 GLN A 112 11.480 -17.782 3.338 1.00 42.34 H new ATOM 1741 N MET A 113 11.350 -11.104 2.908 1.00 43.01 N ATOM 1742 CA MET A 113 12.244 -9.954 2.845 1.00 4.43 C ATOM 1743 C MET A 113 12.518 -9.401 4.241 1.00 64.44 C ATOM 1744 O MET A 113 13.564 -8.802 4.487 1.00 12.30 O ATOM 1745 CB MET A 113 11.642 -8.860 1.961 1.00 62.23 C ATOM 1746 CG MET A 113 12.682 -7.950 1.327 1.00 72.11 C ATOM 1747 SD MET A 113 12.960 -6.445 2.279 1.00 10.43 S ATOM 1748 CE MET A 113 14.130 -5.589 1.227 1.00 73.35 C ATOM 0 H MET A 113 10.373 -10.891 2.705 1.00 43.01 H new ATOM 0 HA MET A 113 13.188 -10.283 2.411 1.00 4.43 H new ATOM 0 HB2 MET A 113 11.050 -9.326 1.173 1.00 62.23 H new ATOM 0 HB3 MET A 113 10.959 -8.256 2.559 1.00 62.23 H new ATOM 0 HG2 MET A 113 13.622 -8.492 1.229 1.00 72.11 H new ATOM 0 HG3 MET A 113 12.361 -7.684 0.320 1.00 72.11 H new ATOM 0 HE1 MET A 113 14.399 -4.636 1.683 1.00 73.35 H new ATOM 0 HE2 MET A 113 15.025 -6.199 1.106 1.00 73.35 H new ATOM 0 HE3 MET A 113 13.679 -5.410 0.251 1.00 73.35 H new ATOM 1758 N GLY A 114 11.571 -9.608 5.151 1.00 62.02 N ATOM 1759 CA GLY A 114 11.730 -9.124 6.510 1.00 60.13 C ATOM 1760 C GLY A 114 10.954 -7.847 6.765 1.00 71.31 C ATOM 1761 O GLY A 114 11.269 -7.094 7.688 1.00 75.54 O ATOM 0 H GLY A 114 10.697 -10.102 4.971 1.00 62.02 H new ATOM 0 HA2 GLY A 114 11.398 -9.893 7.207 1.00 60.13 H new ATOM 0 HA3 GLY A 114 12.787 -8.949 6.709 1.00 60.13 H new