USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 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 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+ 178:sc= 0 (180deg=-0.00365) USER MOD Single : A 16 CYS SG : rot -98:sc= 1.04 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0234 (180deg=-0.23) USER MOD Single : A 34 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.9) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.7!) USER MOD Single : A 45 SER OG : rot 170:sc= 0 USER MOD Single : A 46 THR OG1 : rot -46:sc= -1.62! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 59 GLN : amide:sc= -0.0799 K(o=-0.08,f=-2.3!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1) 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= -0.451 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -26:sc= 0.0297 USER MOD Single : A 88 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.235) USER MOD Single : A 97 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.39) 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 -57:sc= 1.11 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.22 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 161:sc= 0 (180deg=-0.923) USER MOD Single : A 110 TYR OH : rot 139:sc= -0.475 USER MOD Single : A 111 SER OG : rot -84:sc= 0.231 USER MOD Single : A 112 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 -2.358 4.451 -13.874 1.00 12.41 N ATOM 93 CA ARG A 7 -1.599 3.304 -14.355 1.00 23.41 C ATOM 94 C ARG A 7 -0.830 2.643 -13.214 1.00 15.22 C ATOM 95 O ARG A 7 -0.749 1.417 -13.135 1.00 11.32 O ATOM 96 CB ARG A 7 -0.628 3.733 -15.456 1.00 63.13 C ATOM 97 CG ARG A 7 0.375 4.783 -15.008 1.00 44.45 C ATOM 98 CD ARG A 7 1.134 5.368 -16.189 1.00 42.44 C ATOM 99 NE ARG A 7 2.387 4.661 -16.439 1.00 45.52 N ATOM 100 CZ ARG A 7 3.464 4.780 -15.670 1.00 40.21 C ATOM 101 NH1 ARG A 7 3.440 5.574 -14.608 1.00 71.51 N ATOM 102 NH2 ARG A 7 4.568 4.104 -15.963 1.00 13.14 N ATOM 0 HA ARG A 7 -2.304 2.580 -14.763 1.00 23.41 H new ATOM 0 HB2 ARG A 7 -0.088 2.857 -15.814 1.00 63.13 H new ATOM 0 HB3 ARG A 7 -1.198 4.123 -16.299 1.00 63.13 H new ATOM 0 HG2 ARG A 7 -0.144 5.581 -14.477 1.00 44.45 H new ATOM 0 HG3 ARG A 7 1.080 4.338 -14.305 1.00 44.45 H new ATOM 0 HD2 ARG A 7 0.508 5.323 -17.080 1.00 42.44 H new ATOM 0 HD3 ARG A 7 1.343 6.421 -16.000 1.00 42.44 H new ATOM 0 HE ARG A 7 2.438 4.042 -17.248 1.00 45.52 H new ATOM 0 HH11 ARG A 7 2.593 6.095 -14.380 1.00 71.51 H new ATOM 0 HH12 ARG A 7 4.268 5.664 -14.019 1.00 71.51 H new ATOM 0 HH21 ARG A 7 4.590 3.493 -16.779 1.00 13.14 H new ATOM 0 HH22 ARG A 7 5.394 4.196 -15.372 1.00 13.14 H new ATOM 116 N ASP A 8 -0.269 3.464 -12.333 1.00 64.31 N ATOM 117 CA ASP A 8 0.493 2.960 -11.196 1.00 33.20 C ATOM 118 C ASP A 8 -0.376 2.072 -10.311 1.00 33.31 C ATOM 119 O ASP A 8 0.088 1.061 -9.784 1.00 34.34 O ATOM 120 CB ASP A 8 1.056 4.122 -10.377 1.00 22.02 C ATOM 121 CG ASP A 8 2.288 4.735 -11.013 1.00 25.42 C ATOM 122 OD1 ASP A 8 2.153 5.361 -12.085 1.00 24.24 O ATOM 123 OD2 ASP A 8 3.388 4.587 -10.439 1.00 42.22 O ATOM 0 H ASP A 8 -0.327 4.481 -12.384 1.00 64.31 H new ATOM 0 HA ASP A 8 1.320 2.362 -11.580 1.00 33.20 H new ATOM 0 HB2 ASP A 8 0.289 4.888 -10.264 1.00 22.02 H new ATOM 0 HB3 ASP A 8 1.304 3.770 -9.376 1.00 22.02 H new ATOM 128 N TRP A 9 -1.637 2.457 -10.152 1.00 73.22 N ATOM 129 CA TRP A 9 -2.571 1.696 -9.330 1.00 21.43 C ATOM 130 C TRP A 9 -2.955 0.387 -10.011 1.00 61.02 C ATOM 131 O TRP A 9 -2.747 -0.695 -9.462 1.00 71.21 O ATOM 132 CB TRP A 9 -3.825 2.524 -9.046 1.00 2.24 C ATOM 133 CG TRP A 9 -4.904 1.750 -8.351 1.00 24.14 C ATOM 134 CD1 TRP A 9 -6.032 1.229 -8.916 1.00 32.52 C ATOM 135 CD2 TRP A 9 -4.956 1.412 -6.960 1.00 63.44 C ATOM 136 NE1 TRP A 9 -6.783 0.587 -7.961 1.00 21.54 N ATOM 137 CE2 TRP A 9 -6.144 0.684 -6.753 1.00 22.20 C ATOM 138 CE3 TRP A 9 -4.114 1.651 -5.871 1.00 63.21 C ATOM 139 CZ2 TRP A 9 -6.509 0.196 -5.501 1.00 24.00 C ATOM 140 CZ3 TRP A 9 -4.477 1.166 -4.629 1.00 53.21 C ATOM 141 CH2 TRP A 9 -5.666 0.445 -4.452 1.00 64.02 C ATOM 0 H TRP A 9 -2.036 3.292 -10.581 1.00 73.22 H new ATOM 0 HA TRP A 9 -2.077 1.462 -8.387 1.00 21.43 H new ATOM 0 HB2 TRP A 9 -3.553 3.384 -8.434 1.00 2.24 H new ATOM 0 HB3 TRP A 9 -4.215 2.913 -9.986 1.00 2.24 H new ATOM 0 HD1 TRP A 9 -6.296 1.310 -9.960 1.00 32.52 H new ATOM 0 HE1 TRP A 9 -7.672 0.115 -8.125 1.00 21.54 H new ATOM 0 HE3 TRP A 9 -3.196 2.205 -5.998 1.00 63.21 H new ATOM 0 HZ2 TRP A 9 -7.425 -0.359 -5.363 1.00 24.00 H new ATOM 0 HZ3 TRP A 9 -3.834 1.346 -3.780 1.00 53.21 H new ATOM 0 HH2 TRP A 9 -5.922 0.079 -3.469 1.00 64.02 H new ATOM 152 N LYS A 10 -3.516 0.492 -11.211 1.00 12.20 N ATOM 153 CA LYS A 10 -3.928 -0.683 -11.969 1.00 72.12 C ATOM 154 C LYS A 10 -2.781 -1.681 -12.093 1.00 0.24 C ATOM 155 O LYS A 10 -2.998 -2.892 -12.098 1.00 24.12 O ATOM 156 CB LYS A 10 -4.413 -0.273 -13.361 1.00 75.04 C ATOM 157 CG LYS A 10 -5.408 -1.246 -13.970 1.00 33.21 C ATOM 158 CD LYS A 10 -6.275 -0.573 -15.021 1.00 35.14 C ATOM 159 CE LYS A 10 -7.247 -1.557 -15.655 1.00 13.55 C ATOM 160 NZ LYS A 10 -6.573 -2.444 -16.642 1.00 52.24 N ATOM 0 H LYS A 10 -3.696 1.380 -11.680 1.00 12.20 H new ATOM 0 HA LYS A 10 -4.747 -1.162 -11.432 1.00 72.12 H new ATOM 0 HB2 LYS A 10 -4.873 0.713 -13.300 1.00 75.04 H new ATOM 0 HB3 LYS A 10 -3.553 -0.183 -14.024 1.00 75.04 H new ATOM 0 HG2 LYS A 10 -4.872 -2.082 -14.420 1.00 33.21 H new ATOM 0 HG3 LYS A 10 -6.041 -1.659 -13.185 1.00 33.21 H new ATOM 0 HD2 LYS A 10 -6.831 0.247 -14.565 1.00 35.14 H new ATOM 0 HD3 LYS A 10 -5.641 -0.138 -15.793 1.00 35.14 H new ATOM 0 HE2 LYS A 10 -7.708 -2.165 -14.876 1.00 13.55 H new ATOM 0 HE3 LYS A 10 -8.049 -1.008 -16.148 1.00 13.55 H new ATOM 0 HZ1 LYS A 10 -7.269 -3.100 -17.051 1.00 52.24 H new ATOM 0 HZ2 LYS A 10 -6.154 -1.866 -17.399 1.00 52.24 H new ATOM 0 HZ3 LYS A 10 -5.824 -2.987 -16.166 1.00 52.24 H new ATOM 174 N MET A 11 -1.561 -1.163 -12.190 1.00 62.32 N ATOM 175 CA MET A 11 -0.379 -2.010 -12.311 1.00 15.14 C ATOM 176 C MET A 11 -0.034 -2.654 -10.972 1.00 24.21 C ATOM 177 O MET A 11 0.090 -3.875 -10.873 1.00 55.35 O ATOM 178 CB MET A 11 0.810 -1.193 -12.819 1.00 60.11 C ATOM 179 CG MET A 11 1.950 -2.046 -13.350 1.00 64.24 C ATOM 180 SD MET A 11 2.269 -1.766 -15.103 1.00 22.21 S ATOM 181 CE MET A 11 3.119 -3.281 -15.539 1.00 20.53 C ATOM 0 H MET A 11 -1.365 -0.162 -12.187 1.00 62.32 H new ATOM 0 HA MET A 11 -0.600 -2.800 -13.028 1.00 15.14 H new ATOM 0 HB2 MET A 11 0.469 -0.523 -13.609 1.00 60.11 H new ATOM 0 HB3 MET A 11 1.183 -0.566 -12.009 1.00 60.11 H new ATOM 0 HG2 MET A 11 2.855 -1.831 -12.781 1.00 64.24 H new ATOM 0 HG3 MET A 11 1.716 -3.099 -13.191 1.00 64.24 H new ATOM 0 HE1 MET A 11 3.383 -3.259 -16.596 1.00 20.53 H new ATOM 0 HE2 MET A 11 4.025 -3.375 -14.941 1.00 20.53 H new ATOM 0 HE3 MET A 11 2.467 -4.133 -15.346 1.00 20.53 H new ATOM 191 N ALA A 12 0.122 -1.826 -9.944 1.00 71.03 N ATOM 192 CA ALA A 12 0.452 -2.316 -8.612 1.00 12.24 C ATOM 193 C ALA A 12 -0.510 -3.417 -8.178 1.00 11.44 C ATOM 194 O ALA A 12 -0.115 -4.370 -7.506 1.00 64.02 O ATOM 195 CB ALA A 12 0.434 -1.171 -7.609 1.00 60.23 C ATOM 0 H ALA A 12 0.025 -0.813 -10.009 1.00 71.03 H new ATOM 0 HA ALA A 12 1.456 -2.739 -8.646 1.00 12.24 H new ATOM 0 HB1 ALA A 12 0.682 -1.551 -6.618 1.00 60.23 H new ATOM 0 HB2 ALA A 12 1.166 -0.418 -7.903 1.00 60.23 H new ATOM 0 HB3 ALA A 12 -0.559 -0.722 -7.587 1.00 60.23 H new ATOM 201 N ILE A 13 -1.774 -3.278 -8.564 1.00 43.03 N ATOM 202 CA ILE A 13 -2.791 -4.261 -8.215 1.00 33.40 C ATOM 203 C ILE A 13 -2.731 -5.469 -9.145 1.00 10.35 C ATOM 204 O ILE A 13 -3.019 -6.595 -8.738 1.00 11.41 O ATOM 205 CB ILE A 13 -4.205 -3.653 -8.273 1.00 31.45 C ATOM 206 CG1 ILE A 13 -4.316 -2.473 -7.305 1.00 72.21 C ATOM 207 CG2 ILE A 13 -5.250 -4.711 -7.949 1.00 0.22 C ATOM 208 CD1 ILE A 13 -4.175 -2.868 -5.852 1.00 11.13 C ATOM 0 H ILE A 13 -2.118 -2.494 -9.119 1.00 43.03 H new ATOM 0 HA ILE A 13 -2.583 -4.581 -7.194 1.00 33.40 H new ATOM 0 HB ILE A 13 -4.387 -3.288 -9.284 1.00 31.45 H new ATOM 0 HG12 ILE A 13 -3.548 -1.739 -7.550 1.00 72.21 H new ATOM 0 HG13 ILE A 13 -5.280 -1.985 -7.449 1.00 72.21 H new ATOM 0 HG21 ILE A 13 -6.244 -4.266 -7.994 1.00 0.22 H new ATOM 0 HG22 ILE A 13 -5.183 -5.523 -8.673 1.00 0.22 H new ATOM 0 HG23 ILE A 13 -5.073 -5.103 -6.947 1.00 0.22 H new ATOM 0 HD11 ILE A 13 -4.264 -1.982 -5.224 1.00 11.13 H new ATOM 0 HD12 ILE A 13 -4.959 -3.579 -5.590 1.00 11.13 H new ATOM 0 HD13 ILE A 13 -3.200 -3.329 -5.693 1.00 11.13 H new ATOM 220 N LYS A 14 -2.353 -5.227 -10.395 1.00 61.32 N ATOM 221 CA LYS A 14 -2.251 -6.294 -11.384 1.00 21.23 C ATOM 222 C LYS A 14 -1.222 -7.336 -10.956 1.00 11.12 C ATOM 223 O LYS A 14 -1.377 -8.525 -11.233 1.00 32.32 O ATOM 224 CB LYS A 14 -1.871 -5.718 -12.749 1.00 42.53 C ATOM 225 CG LYS A 14 -1.646 -6.776 -13.815 1.00 50.13 C ATOM 226 CD LYS A 14 -2.909 -7.577 -14.080 1.00 74.44 C ATOM 227 CE LYS A 14 -3.114 -7.820 -15.568 1.00 25.51 C ATOM 228 NZ LYS A 14 -2.033 -8.667 -16.145 1.00 21.10 N ATOM 0 H LYS A 14 -2.112 -4.301 -10.748 1.00 61.32 H new ATOM 0 HA LYS A 14 -3.224 -6.779 -11.460 1.00 21.23 H new ATOM 0 HB2 LYS A 14 -2.659 -5.042 -13.081 1.00 42.53 H new ATOM 0 HB3 LYS A 14 -0.964 -5.123 -12.643 1.00 42.53 H new ATOM 0 HG2 LYS A 14 -1.316 -6.299 -14.738 1.00 50.13 H new ATOM 0 HG3 LYS A 14 -0.847 -7.448 -13.500 1.00 50.13 H new ATOM 0 HD2 LYS A 14 -2.851 -8.533 -13.559 1.00 74.44 H new ATOM 0 HD3 LYS A 14 -3.770 -7.045 -13.675 1.00 74.44 H new ATOM 0 HE2 LYS A 14 -4.078 -8.303 -15.728 1.00 25.51 H new ATOM 0 HE3 LYS A 14 -3.145 -6.864 -16.091 1.00 25.51 H new ATOM 0 HZ1 LYS A 14 -2.226 -8.838 -17.152 1.00 21.10 H new ATOM 0 HZ2 LYS A 14 -1.120 -8.180 -16.045 1.00 21.10 H new ATOM 0 HZ3 LYS A 14 -1.997 -9.576 -15.640 1.00 21.10 H new ATOM 242 N ARG A 15 -0.173 -6.881 -10.278 1.00 60.33 N ATOM 243 CA ARG A 15 0.881 -7.774 -9.812 1.00 72.50 C ATOM 244 C ARG A 15 0.529 -8.366 -8.450 1.00 41.30 C ATOM 245 O ARG A 15 0.542 -9.584 -8.269 1.00 54.11 O ATOM 246 CB ARG A 15 2.212 -7.026 -9.727 1.00 23.13 C ATOM 247 CG ARG A 15 2.635 -6.384 -11.038 1.00 1.22 C ATOM 248 CD ARG A 15 3.496 -7.324 -11.867 1.00 35.41 C ATOM 249 NE ARG A 15 4.921 -7.051 -11.702 1.00 34.22 N ATOM 250 CZ ARG A 15 5.879 -7.778 -12.266 1.00 75.30 C ATOM 251 NH1 ARG A 15 5.565 -8.817 -13.028 1.00 41.23 N ATOM 252 NH2 ARG A 15 7.153 -7.467 -12.069 1.00 1.44 N ATOM 0 H ARG A 15 -0.031 -5.900 -10.039 1.00 60.33 H new ATOM 0 HA ARG A 15 0.976 -8.589 -10.529 1.00 72.50 H new ATOM 0 HB2 ARG A 15 2.137 -6.254 -8.962 1.00 23.13 H new ATOM 0 HB3 ARG A 15 2.989 -7.719 -9.405 1.00 23.13 H new ATOM 0 HG2 ARG A 15 1.750 -6.102 -11.608 1.00 1.22 H new ATOM 0 HG3 ARG A 15 3.188 -5.467 -10.834 1.00 1.22 H new ATOM 0 HD2 ARG A 15 3.289 -8.354 -11.578 1.00 35.41 H new ATOM 0 HD3 ARG A 15 3.228 -7.228 -12.919 1.00 35.41 H new ATOM 0 HE ARG A 15 5.196 -6.258 -11.122 1.00 34.22 H new ATOM 0 HH11 ARG A 15 4.586 -9.059 -13.182 1.00 41.23 H new ATOM 0 HH12 ARG A 15 6.302 -9.374 -13.460 1.00 41.23 H new ATOM 0 HH21 ARG A 15 7.398 -6.669 -11.484 1.00 1.44 H new ATOM 0 HH22 ARG A 15 7.887 -8.026 -12.503 1.00 1.44 H new ATOM 266 N CYS A 16 0.217 -7.496 -7.496 1.00 53.42 N ATOM 267 CA CYS A 16 -0.137 -7.931 -6.150 1.00 31.32 C ATOM 268 C CYS A 16 -1.369 -8.831 -6.175 1.00 42.55 C ATOM 269 O CYS A 16 -1.614 -9.592 -5.240 1.00 5.13 O ATOM 270 CB CYS A 16 -0.393 -6.721 -5.250 1.00 62.14 C ATOM 271 SG CYS A 16 -0.676 -7.138 -3.514 1.00 63.50 S ATOM 0 H CYS A 16 0.202 -6.485 -7.630 1.00 53.42 H new ATOM 0 HA CYS A 16 0.700 -8.502 -5.749 1.00 31.32 H new ATOM 0 HB2 CYS A 16 0.460 -6.046 -5.316 1.00 62.14 H new ATOM 0 HB3 CYS A 16 -1.259 -6.178 -5.628 1.00 62.14 H new ATOM 0 HG CYS A 16 -1.954 -7.153 -3.274 1.00 63.50 H new ATOM 277 N SER A 17 -2.142 -8.736 -7.252 1.00 40.35 N ATOM 278 CA SER A 17 -3.352 -9.537 -7.398 1.00 1.42 C ATOM 279 C SER A 17 -3.056 -11.015 -7.165 1.00 61.12 C ATOM 280 O SER A 17 -3.913 -11.765 -6.700 1.00 70.13 O ATOM 281 CB SER A 17 -3.956 -9.339 -8.789 1.00 41.54 C ATOM 282 OG SER A 17 -4.544 -10.537 -9.265 1.00 41.23 O ATOM 0 H SER A 17 -1.952 -8.112 -8.036 1.00 40.35 H new ATOM 0 HA SER A 17 -4.070 -9.205 -6.648 1.00 1.42 H new ATOM 0 HB2 SER A 17 -4.708 -8.550 -8.754 1.00 41.54 H new ATOM 0 HB3 SER A 17 -3.181 -9.010 -9.482 1.00 41.54 H new ATOM 0 HG SER A 17 -4.924 -10.384 -10.155 1.00 41.23 H new ATOM 288 N ASN A 18 -1.835 -11.426 -7.493 1.00 31.34 N ATOM 289 CA ASN A 18 -1.425 -12.815 -7.320 1.00 63.14 C ATOM 290 C ASN A 18 -0.712 -13.010 -5.985 1.00 74.34 C ATOM 291 O ASN A 18 0.262 -13.757 -5.892 1.00 74.44 O ATOM 292 CB ASN A 18 -0.508 -13.244 -8.468 1.00 2.32 C ATOM 293 CG ASN A 18 -0.768 -14.669 -8.914 1.00 74.35 C ATOM 294 OD1 ASN A 18 -1.883 -15.177 -8.789 1.00 21.01 O ATOM 295 ND2 ASN A 18 0.262 -15.323 -9.439 1.00 51.51 N ATOM 0 H ASN A 18 -1.113 -10.818 -7.880 1.00 31.34 H new ATOM 0 HA ASN A 18 -2.321 -13.436 -7.327 1.00 63.14 H new ATOM 0 HB2 ASN A 18 -0.649 -12.570 -9.313 1.00 2.32 H new ATOM 0 HB3 ASN A 18 0.531 -13.148 -8.154 1.00 2.32 H new ATOM 0 HD21 ASN A 18 0.146 -16.285 -9.758 1.00 51.51 H new ATOM 0 HD22 ASN A 18 1.169 -14.863 -9.524 1.00 51.51 H new ATOM 302 N VAL A 19 -1.206 -12.334 -4.953 1.00 42.41 N ATOM 303 CA VAL A 19 -0.618 -12.433 -3.622 1.00 73.44 C ATOM 304 C VAL A 19 -1.332 -13.488 -2.784 1.00 52.12 C ATOM 305 O VAL A 19 -2.560 -13.567 -2.782 1.00 72.14 O ATOM 306 CB VAL A 19 -0.671 -11.083 -2.883 1.00 31.42 C ATOM 307 CG1 VAL A 19 -2.110 -10.703 -2.568 1.00 2.22 C ATOM 308 CG2 VAL A 19 0.165 -11.139 -1.613 1.00 14.10 C ATOM 0 H VAL A 19 -2.012 -11.712 -5.013 1.00 42.41 H new ATOM 0 HA VAL A 19 0.424 -12.724 -3.756 1.00 73.44 H new ATOM 0 HB VAL A 19 -0.252 -10.315 -3.533 1.00 31.42 H new ATOM 0 HG11 VAL A 19 -2.128 -9.746 -2.046 1.00 2.22 H new ATOM 0 HG12 VAL A 19 -2.676 -10.620 -3.496 1.00 2.22 H new ATOM 0 HG13 VAL A 19 -2.559 -11.470 -1.936 1.00 2.22 H new ATOM 0 HG21 VAL A 19 0.117 -10.177 -1.103 1.00 14.10 H new ATOM 0 HG22 VAL A 19 -0.223 -11.918 -0.956 1.00 14.10 H new ATOM 0 HG23 VAL A 19 1.201 -11.362 -1.869 1.00 14.10 H new ATOM 318 N ALA A 20 -0.554 -14.296 -2.072 1.00 20.20 N ATOM 319 CA ALA A 20 -1.112 -15.345 -1.227 1.00 42.20 C ATOM 320 C ALA A 20 -0.951 -15.003 0.250 1.00 23.14 C ATOM 321 O ALA A 20 0.121 -14.584 0.688 1.00 62.42 O ATOM 322 CB ALA A 20 -0.451 -16.680 -1.537 1.00 50.21 C ATOM 0 H ALA A 20 0.465 -14.245 -2.063 1.00 20.20 H new ATOM 0 HA ALA A 20 -2.178 -15.422 -1.441 1.00 42.20 H new ATOM 0 HB1 ALA A 20 -0.877 -17.454 -0.899 1.00 50.21 H new ATOM 0 HB2 ALA A 20 -0.622 -16.937 -2.582 1.00 50.21 H new ATOM 0 HB3 ALA A 20 0.621 -16.607 -1.352 1.00 50.21 H new ATOM 328 N VAL A 21 -2.023 -15.184 1.015 1.00 2.32 N ATOM 329 CA VAL A 21 -2.000 -14.895 2.444 1.00 10.21 C ATOM 330 C VAL A 21 -0.897 -15.679 3.146 1.00 44.43 C ATOM 331 O VAL A 21 -0.407 -15.274 4.199 1.00 32.24 O ATOM 332 CB VAL A 21 -3.351 -15.227 3.106 1.00 62.25 C ATOM 333 CG1 VAL A 21 -4.483 -14.486 2.411 1.00 45.53 C ATOM 334 CG2 VAL A 21 -3.597 -16.728 3.089 1.00 64.32 C ATOM 0 H VAL A 21 -2.918 -15.529 0.669 1.00 2.32 H new ATOM 0 HA VAL A 21 -1.805 -13.828 2.547 1.00 10.21 H new ATOM 0 HB VAL A 21 -3.317 -14.898 4.145 1.00 62.25 H new ATOM 0 HG11 VAL A 21 -5.429 -14.733 2.892 1.00 45.53 H new ATOM 0 HG12 VAL A 21 -4.311 -13.412 2.479 1.00 45.53 H new ATOM 0 HG13 VAL A 21 -4.521 -14.781 1.362 1.00 45.53 H new ATOM 0 HG21 VAL A 21 -4.556 -16.945 3.560 1.00 64.32 H new ATOM 0 HG22 VAL A 21 -3.611 -17.083 2.058 1.00 64.32 H new ATOM 0 HG23 VAL A 21 -2.801 -17.233 3.636 1.00 64.32 H new ATOM 344 N GLY A 22 -0.508 -16.804 2.553 1.00 54.32 N ATOM 345 CA GLY A 22 0.535 -17.627 3.135 1.00 44.03 C ATOM 346 C GLY A 22 1.479 -18.190 2.091 1.00 62.31 C ATOM 347 O GLY A 22 1.209 -18.112 0.892 1.00 3.33 O ATOM 0 H GLY A 22 -0.897 -17.160 1.680 1.00 54.32 H new ATOM 0 HA2 GLY A 22 1.103 -17.035 3.852 1.00 44.03 H new ATOM 0 HA3 GLY A 22 0.079 -18.448 3.689 1.00 44.03 H new ATOM 351 N VAL A 23 2.591 -18.759 2.546 1.00 60.31 N ATOM 352 CA VAL A 23 3.579 -19.338 1.643 1.00 52.52 C ATOM 353 C VAL A 23 3.026 -20.574 0.943 1.00 62.01 C ATOM 354 O VAL A 23 3.442 -20.911 -0.165 1.00 31.22 O ATOM 355 CB VAL A 23 4.869 -19.719 2.392 1.00 22.02 C ATOM 356 CG1 VAL A 23 5.438 -18.513 3.124 1.00 22.11 C ATOM 357 CG2 VAL A 23 4.605 -20.864 3.359 1.00 51.33 C ATOM 0 H VAL A 23 2.830 -18.831 3.535 1.00 60.31 H new ATOM 0 HA VAL A 23 3.812 -18.577 0.899 1.00 52.52 H new ATOM 0 HB VAL A 23 5.607 -20.052 1.662 1.00 22.02 H new ATOM 0 HG11 VAL A 23 6.349 -18.802 3.647 1.00 22.11 H new ATOM 0 HG12 VAL A 23 5.666 -17.726 2.406 1.00 22.11 H new ATOM 0 HG13 VAL A 23 4.707 -18.146 3.844 1.00 22.11 H new ATOM 0 HG21 VAL A 23 5.528 -21.120 3.880 1.00 51.33 H new ATOM 0 HG22 VAL A 23 3.851 -20.561 4.085 1.00 51.33 H new ATOM 0 HG23 VAL A 23 4.247 -21.732 2.806 1.00 51.33 H new ATOM 436 N LYS A 29 -5.711 -16.457 -1.287 1.00 21.42 N ATOM 437 CA LYS A 29 -5.087 -15.280 -1.878 1.00 64.15 C ATOM 438 C LYS A 29 -5.971 -14.050 -1.705 1.00 12.33 C ATOM 439 O LYS A 29 -7.193 -14.161 -1.605 1.00 54.41 O ATOM 440 CB LYS A 29 -4.810 -15.517 -3.365 1.00 11.31 C ATOM 441 CG LYS A 29 -3.905 -16.707 -3.633 1.00 53.13 C ATOM 442 CD LYS A 29 -4.673 -17.863 -4.252 1.00 53.32 C ATOM 443 CE LYS A 29 -3.803 -19.103 -4.383 1.00 33.51 C ATOM 444 NZ LYS A 29 -3.438 -19.667 -3.054 1.00 21.21 N ATOM 0 HA LYS A 29 -4.143 -15.102 -1.362 1.00 64.15 H new ATOM 0 HB2 LYS A 29 -5.757 -15.668 -3.883 1.00 11.31 H new ATOM 0 HB3 LYS A 29 -4.354 -14.622 -3.788 1.00 11.31 H new ATOM 0 HG2 LYS A 29 -3.096 -16.408 -4.300 1.00 53.13 H new ATOM 0 HG3 LYS A 29 -3.445 -17.033 -2.700 1.00 53.13 H new ATOM 0 HD2 LYS A 29 -5.545 -18.092 -3.639 1.00 53.32 H new ATOM 0 HD3 LYS A 29 -5.042 -17.571 -5.235 1.00 53.32 H new ATOM 0 HE2 LYS A 29 -4.332 -19.858 -4.965 1.00 33.51 H new ATOM 0 HE3 LYS A 29 -2.896 -18.854 -4.933 1.00 33.51 H new ATOM 0 HZ1 LYS A 29 -3.054 -20.626 -3.177 1.00 21.21 H new ATOM 0 HZ2 LYS A 29 -2.721 -19.062 -2.605 1.00 21.21 H new ATOM 0 HZ3 LYS A 29 -4.284 -19.708 -2.450 1.00 21.21 H new ATOM 458 N PHE A 30 -5.346 -12.877 -1.671 1.00 35.35 N ATOM 459 CA PHE A 30 -6.077 -11.626 -1.509 1.00 55.15 C ATOM 460 C PHE A 30 -6.434 -11.026 -2.866 1.00 41.34 C ATOM 461 O PHE A 30 -6.095 -11.580 -3.911 1.00 72.20 O ATOM 462 CB PHE A 30 -5.249 -10.627 -0.699 1.00 64.12 C ATOM 463 CG PHE A 30 -5.193 -10.945 0.768 1.00 52.13 C ATOM 464 CD1 PHE A 30 -6.351 -11.238 1.471 1.00 43.51 C ATOM 465 CD2 PHE A 30 -3.984 -10.951 1.443 1.00 24.54 C ATOM 466 CE1 PHE A 30 -6.302 -11.529 2.821 1.00 74.51 C ATOM 467 CE2 PHE A 30 -3.929 -11.243 2.793 1.00 30.14 C ATOM 468 CZ PHE A 30 -5.090 -11.534 3.483 1.00 50.53 C ATOM 0 H PHE A 30 -4.335 -12.767 -1.753 1.00 35.35 H new ATOM 0 HA PHE A 30 -7.001 -11.841 -0.971 1.00 55.15 H new ATOM 0 HB2 PHE A 30 -4.234 -10.602 -1.096 1.00 64.12 H new ATOM 0 HB3 PHE A 30 -5.668 -9.629 -0.831 1.00 64.12 H new ATOM 0 HD1 PHE A 30 -7.302 -11.239 0.958 1.00 43.51 H new ATOM 0 HD2 PHE A 30 -3.073 -10.725 0.908 1.00 24.54 H new ATOM 0 HE1 PHE A 30 -7.212 -11.753 3.358 1.00 74.51 H new ATOM 0 HE2 PHE A 30 -2.980 -11.244 3.308 1.00 30.14 H new ATOM 0 HZ PHE A 30 -5.050 -11.765 4.537 1.00 50.53 H new ATOM 478 N GLY A 31 -7.121 -9.888 -2.841 1.00 50.55 N ATOM 479 CA GLY A 31 -7.513 -9.231 -4.075 1.00 11.43 C ATOM 480 C GLY A 31 -7.623 -7.727 -3.921 1.00 4.40 C ATOM 481 O GLY A 31 -7.376 -7.188 -2.843 1.00 14.54 O ATOM 0 H GLY A 31 -7.413 -9.409 -1.989 1.00 50.55 H new ATOM 0 HA2 GLY A 31 -6.785 -9.461 -4.853 1.00 11.43 H new ATOM 0 HA3 GLY A 31 -8.471 -9.630 -4.407 1.00 11.43 H new ATOM 485 N GLU A 32 -7.991 -7.048 -5.003 1.00 13.11 N ATOM 486 CA GLU A 32 -8.130 -5.596 -4.983 1.00 22.40 C ATOM 487 C GLU A 32 -9.076 -5.155 -3.870 1.00 74.52 C ATOM 488 O GLU A 32 -8.796 -4.204 -3.143 1.00 12.32 O ATOM 489 CB GLU A 32 -8.643 -5.092 -6.333 1.00 62.25 C ATOM 490 CG GLU A 32 -9.917 -5.779 -6.796 1.00 24.52 C ATOM 491 CD GLU A 32 -10.216 -5.529 -8.261 1.00 64.22 C ATOM 492 OE1 GLU A 32 -10.819 -4.482 -8.574 1.00 11.33 O ATOM 493 OE2 GLU A 32 -9.845 -6.382 -9.096 1.00 13.44 O ATOM 0 H GLU A 32 -8.198 -7.479 -5.904 1.00 13.11 H new ATOM 0 HA GLU A 32 -7.147 -5.165 -4.792 1.00 22.40 H new ATOM 0 HB2 GLU A 32 -8.823 -4.019 -6.266 1.00 62.25 H new ATOM 0 HB3 GLU A 32 -7.867 -5.239 -7.085 1.00 62.25 H new ATOM 0 HG2 GLU A 32 -9.829 -6.852 -6.625 1.00 24.52 H new ATOM 0 HG3 GLU A 32 -10.754 -5.428 -6.193 1.00 24.52 H new ATOM 500 N GLY A 33 -10.200 -5.855 -3.745 1.00 21.52 N ATOM 501 CA GLY A 33 -11.171 -5.521 -2.720 1.00 35.52 C ATOM 502 C GLY A 33 -10.622 -5.704 -1.319 1.00 11.22 C ATOM 503 O GLY A 33 -10.925 -4.921 -0.420 1.00 0.14 O ATOM 0 H GLY A 33 -10.455 -6.647 -4.335 1.00 21.52 H new ATOM 0 HA2 GLY A 33 -11.490 -4.487 -2.850 1.00 35.52 H new ATOM 0 HA3 GLY A 33 -12.056 -6.146 -2.845 1.00 35.52 H new ATOM 507 N ASN A 34 -9.813 -6.742 -1.133 1.00 10.34 N ATOM 508 CA ASN A 34 -9.222 -7.026 0.170 1.00 0.11 C ATOM 509 C ASN A 34 -8.294 -5.895 0.605 1.00 74.31 C ATOM 510 O ASN A 34 -8.340 -5.446 1.750 1.00 32.03 O ATOM 511 CB ASN A 34 -8.450 -8.346 0.126 1.00 45.22 C ATOM 512 CG ASN A 34 -8.686 -9.196 1.360 1.00 45.55 C ATOM 513 OD1 ASN A 34 -9.383 -10.209 1.305 1.00 44.20 O ATOM 514 ND2 ASN A 34 -8.104 -8.785 2.481 1.00 51.14 N ATOM 0 H ASN A 34 -9.552 -7.400 -1.867 1.00 10.34 H new ATOM 0 HA ASN A 34 -10.030 -7.109 0.897 1.00 0.11 H new ATOM 0 HB2 ASN A 34 -8.746 -8.907 -0.760 1.00 45.22 H new ATOM 0 HB3 ASN A 34 -7.384 -8.137 0.030 1.00 45.22 H new ATOM 0 HD21 ASN A 34 -8.226 -9.316 3.343 1.00 51.14 H new ATOM 0 HD22 ASN A 34 -7.535 -7.939 2.479 1.00 51.14 H new ATOM 521 N PHE A 35 -7.454 -5.439 -0.318 1.00 24.34 N ATOM 522 CA PHE A 35 -6.515 -4.361 -0.030 1.00 64.22 C ATOM 523 C PHE A 35 -7.255 -3.085 0.358 1.00 4.50 C ATOM 524 O PHE A 35 -6.870 -2.394 1.302 1.00 43.24 O ATOM 525 CB PHE A 35 -5.621 -4.097 -1.244 1.00 32.30 C ATOM 526 CG PHE A 35 -5.049 -5.347 -1.850 1.00 51.22 C ATOM 527 CD1 PHE A 35 -4.525 -6.346 -1.046 1.00 0.21 C ATOM 528 CD2 PHE A 35 -5.035 -5.522 -3.225 1.00 0.13 C ATOM 529 CE1 PHE A 35 -3.998 -7.497 -1.601 1.00 31.04 C ATOM 530 CE2 PHE A 35 -4.510 -6.671 -3.785 1.00 21.11 C ATOM 531 CZ PHE A 35 -3.990 -7.659 -2.972 1.00 63.20 C ATOM 0 H PHE A 35 -7.404 -5.799 -1.271 1.00 24.34 H new ATOM 0 HA PHE A 35 -5.893 -4.669 0.810 1.00 64.22 H new ATOM 0 HB2 PHE A 35 -6.198 -3.567 -2.002 1.00 32.30 H new ATOM 0 HB3 PHE A 35 -4.804 -3.440 -0.947 1.00 32.30 H new ATOM 0 HD1 PHE A 35 -4.528 -6.224 0.027 1.00 0.21 H new ATOM 0 HD2 PHE A 35 -5.439 -4.752 -3.866 1.00 0.13 H new ATOM 0 HE1 PHE A 35 -3.593 -8.269 -0.963 1.00 31.04 H new ATOM 0 HE2 PHE A 35 -4.506 -6.796 -4.858 1.00 21.11 H new ATOM 0 HZ PHE A 35 -3.578 -8.557 -3.408 1.00 63.20 H new ATOM 541 N ARG A 36 -8.318 -2.778 -0.377 1.00 53.52 N ATOM 542 CA ARG A 36 -9.112 -1.583 -0.112 1.00 24.52 C ATOM 543 C ARG A 36 -9.650 -1.595 1.316 1.00 51.31 C ATOM 544 O ARG A 36 -9.564 -0.596 2.030 1.00 53.52 O ATOM 545 CB ARG A 36 -10.271 -1.485 -1.105 1.00 11.42 C ATOM 546 CG ARG A 36 -9.836 -1.561 -2.559 1.00 43.51 C ATOM 547 CD ARG A 36 -10.180 -0.284 -3.311 1.00 22.30 C ATOM 548 NE ARG A 36 -10.191 -0.487 -4.757 1.00 71.32 N ATOM 549 CZ ARG A 36 -11.165 -1.118 -5.403 1.00 74.32 C ATOM 550 NH1 ARG A 36 -12.202 -1.605 -4.735 1.00 1.23 N ATOM 551 NH2 ARG A 36 -11.104 -1.263 -6.721 1.00 32.23 N ATOM 0 H ARG A 36 -8.650 -3.340 -1.161 1.00 53.52 H new ATOM 0 HA ARG A 36 -8.466 -0.713 -0.232 1.00 24.52 H new ATOM 0 HB2 ARG A 36 -10.979 -2.289 -0.904 1.00 11.42 H new ATOM 0 HB3 ARG A 36 -10.800 -0.546 -0.942 1.00 11.42 H new ATOM 0 HG2 ARG A 36 -8.761 -1.736 -2.610 1.00 43.51 H new ATOM 0 HG3 ARG A 36 -10.320 -2.410 -3.041 1.00 43.51 H new ATOM 0 HD2 ARG A 36 -11.157 0.075 -2.988 1.00 22.30 H new ATOM 0 HD3 ARG A 36 -9.456 0.491 -3.059 1.00 22.30 H new ATOM 0 HE ARG A 36 -9.408 -0.124 -5.301 1.00 71.32 H new ATOM 0 HH11 ARG A 36 -12.253 -1.495 -3.722 1.00 1.23 H new ATOM 0 HH12 ARG A 36 -12.948 -2.089 -5.234 1.00 1.23 H new ATOM 0 HH21 ARG A 36 -10.308 -0.890 -7.239 1.00 32.23 H new ATOM 0 HH22 ARG A 36 -11.853 -1.748 -7.216 1.00 32.23 H new ATOM 565 N TRP A 37 -10.205 -2.730 1.724 1.00 22.12 N ATOM 566 CA TRP A 37 -10.758 -2.871 3.066 1.00 2.15 C ATOM 567 C TRP A 37 -9.699 -2.583 4.125 1.00 44.34 C ATOM 568 O TRP A 37 -9.937 -1.825 5.064 1.00 0.41 O ATOM 569 CB TRP A 37 -11.323 -4.279 3.263 1.00 45.25 C ATOM 570 CG TRP A 37 -11.737 -4.561 4.675 1.00 61.20 C ATOM 571 CD1 TRP A 37 -12.976 -4.374 5.219 1.00 63.55 C ATOM 572 CD2 TRP A 37 -10.910 -5.079 5.723 1.00 35.12 C ATOM 573 NE1 TRP A 37 -12.969 -4.745 6.542 1.00 72.03 N ATOM 574 CE2 TRP A 37 -11.714 -5.182 6.875 1.00 15.33 C ATOM 575 CE3 TRP A 37 -9.571 -5.468 5.800 1.00 25.13 C ATOM 576 CZ2 TRP A 37 -11.220 -5.656 8.088 1.00 53.44 C ATOM 577 CZ3 TRP A 37 -9.082 -5.938 7.004 1.00 4.13 C ATOM 578 CH2 TRP A 37 -9.905 -6.029 8.135 1.00 62.34 C ATOM 0 H TRP A 37 -10.284 -3.566 1.145 1.00 22.12 H new ATOM 0 HA TRP A 37 -11.563 -2.145 3.177 1.00 2.15 H new ATOM 0 HB2 TRP A 37 -12.183 -4.413 2.606 1.00 45.25 H new ATOM 0 HB3 TRP A 37 -10.573 -5.009 2.959 1.00 45.25 H new ATOM 0 HD1 TRP A 37 -13.835 -3.991 4.688 1.00 63.55 H new ATOM 0 HE1 TRP A 37 -13.769 -4.702 7.174 1.00 72.03 H new ATOM 0 HE3 TRP A 37 -8.929 -5.403 4.934 1.00 25.13 H new ATOM 0 HZ2 TRP A 37 -11.853 -5.726 8.960 1.00 53.44 H new ATOM 0 HZ3 TRP A 37 -8.048 -6.240 7.075 1.00 4.13 H new ATOM 0 HH2 TRP A 37 -9.493 -6.401 9.061 1.00 62.34 H new ATOM 589 N ALA A 38 -8.528 -3.192 3.966 1.00 73.23 N ATOM 590 CA ALA A 38 -7.432 -2.999 4.907 1.00 51.43 C ATOM 591 C ALA A 38 -6.951 -1.552 4.899 1.00 42.44 C ATOM 592 O ALA A 38 -6.843 -0.918 5.949 1.00 43.11 O ATOM 593 CB ALA A 38 -6.283 -3.941 4.580 1.00 51.23 C ATOM 0 H ALA A 38 -8.314 -3.823 3.194 1.00 73.23 H new ATOM 0 HA ALA A 38 -7.800 -3.227 5.907 1.00 51.43 H new ATOM 0 HB1 ALA A 38 -5.472 -3.786 5.291 1.00 51.23 H new ATOM 0 HB2 ALA A 38 -6.629 -4.973 4.644 1.00 51.23 H new ATOM 0 HB3 ALA A 38 -5.924 -3.741 3.570 1.00 51.23 H new ATOM 599 N ILE A 39 -6.663 -1.035 3.709 1.00 63.53 N ATOM 600 CA ILE A 39 -6.193 0.337 3.565 1.00 33.02 C ATOM 601 C ILE A 39 -7.175 1.322 4.191 1.00 61.00 C ATOM 602 O ILE A 39 -6.802 2.129 5.043 1.00 51.14 O ATOM 603 CB ILE A 39 -5.984 0.709 2.085 1.00 23.54 C ATOM 604 CG1 ILE A 39 -4.953 -0.222 1.444 1.00 24.52 C ATOM 605 CG2 ILE A 39 -5.545 2.160 1.961 1.00 62.13 C ATOM 606 CD1 ILE A 39 -5.158 -0.419 -0.041 1.00 65.45 C ATOM 0 H ILE A 39 -6.747 -1.546 2.830 1.00 63.53 H new ATOM 0 HA ILE A 39 -5.237 0.399 4.085 1.00 33.02 H new ATOM 0 HB ILE A 39 -6.931 0.590 1.558 1.00 23.54 H new ATOM 0 HG12 ILE A 39 -3.955 0.182 1.614 1.00 24.52 H new ATOM 0 HG13 ILE A 39 -4.993 -1.192 1.940 1.00 24.52 H new ATOM 0 HG21 ILE A 39 -5.401 2.408 0.909 1.00 62.13 H new ATOM 0 HG22 ILE A 39 -6.311 2.809 2.386 1.00 62.13 H new ATOM 0 HG23 ILE A 39 -4.608 2.304 2.499 1.00 62.13 H new ATOM 0 HD11 ILE A 39 -4.391 -1.090 -0.428 1.00 65.45 H new ATOM 0 HD12 ILE A 39 -6.142 -0.852 -0.218 1.00 65.45 H new ATOM 0 HD13 ILE A 39 -5.088 0.543 -0.549 1.00 65.45 H new ATOM 618 N ARG A 40 -8.431 1.249 3.764 1.00 33.41 N ATOM 619 CA ARG A 40 -9.467 2.133 4.283 1.00 54.40 C ATOM 620 C ARG A 40 -9.493 2.104 5.808 1.00 13.33 C ATOM 621 O ARG A 40 -9.511 3.149 6.459 1.00 64.05 O ATOM 622 CB ARG A 40 -10.836 1.730 3.731 1.00 21.22 C ATOM 623 CG ARG A 40 -11.998 2.446 4.400 1.00 43.42 C ATOM 624 CD ARG A 40 -12.677 1.562 5.434 1.00 5.32 C ATOM 625 NE ARG A 40 -13.710 0.719 4.840 1.00 52.03 N ATOM 626 CZ ARG A 40 -14.391 -0.198 5.518 1.00 4.04 C ATOM 627 NH1 ARG A 40 -14.148 -0.389 6.808 1.00 53.41 N ATOM 628 NH2 ARG A 40 -15.316 -0.926 4.907 1.00 32.31 N ATOM 0 H ARG A 40 -8.756 0.587 3.060 1.00 33.41 H new ATOM 0 HA ARG A 40 -9.238 3.148 3.960 1.00 54.40 H new ATOM 0 HB2 ARG A 40 -10.861 1.935 2.661 1.00 21.22 H new ATOM 0 HB3 ARG A 40 -10.965 0.654 3.852 1.00 21.22 H new ATOM 0 HG2 ARG A 40 -11.638 3.357 4.879 1.00 43.42 H new ATOM 0 HG3 ARG A 40 -12.724 2.748 3.645 1.00 43.42 H new ATOM 0 HD2 ARG A 40 -11.931 0.933 5.919 1.00 5.32 H new ATOM 0 HD3 ARG A 40 -13.120 2.186 6.210 1.00 5.32 H new ATOM 0 HE ARG A 40 -13.921 0.841 3.849 1.00 52.03 H new ATOM 0 HH11 ARG A 40 -13.437 0.169 7.281 1.00 53.41 H new ATOM 0 HH12 ARG A 40 -14.672 -1.094 7.327 1.00 53.41 H new ATOM 0 HH21 ARG A 40 -15.505 -0.782 3.915 1.00 32.31 H new ATOM 0 HH22 ARG A 40 -15.838 -1.630 5.429 1.00 32.31 H new ATOM 642 N MET A 41 -9.496 0.901 6.372 1.00 34.21 N ATOM 643 CA MET A 41 -9.520 0.736 7.821 1.00 43.11 C ATOM 644 C MET A 41 -8.424 1.568 8.480 1.00 21.42 C ATOM 645 O MET A 41 -8.670 2.272 9.459 1.00 74.12 O ATOM 646 CB MET A 41 -9.349 -0.739 8.191 1.00 52.43 C ATOM 647 CG MET A 41 -9.788 -1.064 9.609 1.00 35.11 C ATOM 648 SD MET A 41 -11.536 -1.497 9.713 1.00 2.41 S ATOM 649 CE MET A 41 -11.775 -1.515 11.488 1.00 10.31 C ATOM 0 H MET A 41 -9.482 0.026 5.848 1.00 34.21 H new ATOM 0 HA MET A 41 -10.486 1.085 8.186 1.00 43.11 H new ATOM 0 HB2 MET A 41 -9.922 -1.349 7.493 1.00 52.43 H new ATOM 0 HB3 MET A 41 -8.302 -1.016 8.071 1.00 52.43 H new ATOM 0 HG2 MET A 41 -9.189 -1.891 9.990 1.00 35.11 H new ATOM 0 HG3 MET A 41 -9.591 -0.206 10.252 1.00 35.11 H new ATOM 0 HE1 MET A 41 -12.811 -1.768 11.713 1.00 10.31 H new ATOM 0 HE2 MET A 41 -11.115 -2.257 11.937 1.00 10.31 H new ATOM 0 HE3 MET A 41 -11.545 -0.531 11.896 1.00 10.31 H new ATOM 659 N ALA A 42 -7.214 1.480 7.938 1.00 42.52 N ATOM 660 CA ALA A 42 -6.081 2.226 8.473 1.00 54.23 C ATOM 661 C ALA A 42 -6.197 3.711 8.144 1.00 61.34 C ATOM 662 O ALA A 42 -5.689 4.559 8.875 1.00 13.42 O ATOM 663 CB ALA A 42 -4.776 1.664 7.931 1.00 24.50 C ATOM 0 H ALA A 42 -6.993 0.900 7.129 1.00 42.52 H new ATOM 0 HA ALA A 42 -6.087 2.119 9.558 1.00 54.23 H new ATOM 0 HB1 ALA A 42 -3.939 2.230 8.339 1.00 24.50 H new ATOM 0 HB2 ALA A 42 -4.682 0.618 8.222 1.00 24.50 H new ATOM 0 HB3 ALA A 42 -4.771 1.741 6.844 1.00 24.50 H new ATOM 669 N ASN A 43 -6.867 4.016 7.037 1.00 13.44 N ATOM 670 CA ASN A 43 -7.048 5.399 6.611 1.00 40.32 C ATOM 671 C ASN A 43 -7.835 6.191 7.651 1.00 74.25 C ATOM 672 O ASN A 43 -7.582 7.376 7.867 1.00 23.24 O ATOM 673 CB ASN A 43 -7.769 5.449 5.262 1.00 31.33 C ATOM 674 CG ASN A 43 -6.822 5.720 4.110 1.00 43.04 C ATOM 675 OD1 ASN A 43 -5.603 5.641 4.262 1.00 64.43 O ATOM 676 ND2 ASN A 43 -7.380 6.043 2.949 1.00 62.44 N ATOM 0 H ASN A 43 -7.293 3.325 6.420 1.00 13.44 H new ATOM 0 HA ASN A 43 -6.062 5.852 6.506 1.00 40.32 H new ATOM 0 HB2 ASN A 43 -8.282 4.502 5.092 1.00 31.33 H new ATOM 0 HB3 ASN A 43 -8.534 6.225 5.290 1.00 31.33 H new ATOM 0 HD21 ASN A 43 -6.793 6.237 2.138 1.00 62.44 H new ATOM 0 HD22 ASN A 43 -8.395 6.097 2.869 1.00 62.44 H new ATOM 683 N VAL A 44 -8.792 5.527 8.292 1.00 52.14 N ATOM 684 CA VAL A 44 -9.616 6.167 9.310 1.00 11.31 C ATOM 685 C VAL A 44 -9.112 5.839 10.711 1.00 43.41 C ATOM 686 O VAL A 44 -9.163 6.676 11.612 1.00 41.40 O ATOM 687 CB VAL A 44 -11.090 5.735 9.193 1.00 41.42 C ATOM 688 CG1 VAL A 44 -11.221 4.230 9.368 1.00 40.13 C ATOM 689 CG2 VAL A 44 -11.944 6.475 10.211 1.00 10.23 C ATOM 0 H VAL A 44 -9.015 4.546 8.124 1.00 52.14 H new ATOM 0 HA VAL A 44 -9.546 7.242 9.144 1.00 11.31 H new ATOM 0 HB VAL A 44 -11.448 5.993 8.196 1.00 41.42 H new ATOM 0 HG11 VAL A 44 -12.269 3.944 9.282 1.00 40.13 H new ATOM 0 HG12 VAL A 44 -10.642 3.722 8.597 1.00 40.13 H new ATOM 0 HG13 VAL A 44 -10.846 3.944 10.351 1.00 40.13 H new ATOM 0 HG21 VAL A 44 -12.982 6.158 10.114 1.00 10.23 H new ATOM 0 HG22 VAL A 44 -11.588 6.250 11.216 1.00 10.23 H new ATOM 0 HG23 VAL A 44 -11.875 7.548 10.033 1.00 10.23 H new ATOM 699 N SER A 45 -8.624 4.615 10.887 1.00 40.51 N ATOM 700 CA SER A 45 -8.113 4.175 12.180 1.00 63.04 C ATOM 701 C SER A 45 -7.056 5.142 12.704 1.00 1.31 C ATOM 702 O SER A 45 -7.044 5.487 13.886 1.00 24.45 O ATOM 703 CB SER A 45 -7.521 2.769 12.065 1.00 33.45 C ATOM 704 OG SER A 45 -6.989 2.337 13.306 1.00 41.12 O ATOM 0 H SER A 45 -8.572 3.911 10.151 1.00 40.51 H new ATOM 0 HA SER A 45 -8.944 4.156 12.885 1.00 63.04 H new ATOM 0 HB2 SER A 45 -8.291 2.073 11.734 1.00 33.45 H new ATOM 0 HB3 SER A 45 -6.737 2.762 11.307 1.00 33.45 H new ATOM 0 HG SER A 45 -6.764 1.385 13.252 1.00 41.12 H new ATOM 710 N THR A 46 -6.168 5.578 11.815 1.00 14.23 N ATOM 711 CA THR A 46 -5.106 6.505 12.187 1.00 74.41 C ATOM 712 C THR A 46 -5.219 7.811 11.409 1.00 61.43 C ATOM 713 O THR A 46 -4.242 8.544 11.263 1.00 62.32 O ATOM 714 CB THR A 46 -3.715 5.892 11.941 1.00 62.22 C ATOM 715 OG1 THR A 46 -3.560 5.570 10.554 1.00 25.23 O ATOM 716 CG2 THR A 46 -3.518 4.640 12.783 1.00 73.05 C ATOM 0 H THR A 46 -6.164 5.304 10.833 1.00 14.23 H new ATOM 0 HA THR A 46 -5.222 6.709 13.251 1.00 74.41 H new ATOM 0 HB THR A 46 -2.963 6.626 12.229 1.00 62.22 H new ATOM 0 HG1 THR A 46 -4.365 5.114 10.232 1.00 25.23 H new ATOM 0 HG21 THR A 46 -2.528 4.225 12.592 1.00 73.05 H new ATOM 0 HG22 THR A 46 -3.607 4.894 13.839 1.00 73.05 H new ATOM 0 HG23 THR A 46 -4.277 3.903 12.522 1.00 73.05 H new ATOM 851 N THR A 56 1.032 8.092 -0.527 1.00 43.53 N ATOM 852 CA THR A 56 2.346 8.256 0.083 1.00 52.14 C ATOM 853 C THR A 56 2.809 6.964 0.745 1.00 21.22 C ATOM 854 O THR A 56 2.218 6.510 1.726 1.00 74.02 O ATOM 855 CB THR A 56 2.342 9.384 1.131 1.00 13.42 C ATOM 856 OG1 THR A 56 3.523 9.309 1.936 1.00 5.33 O ATOM 857 CG2 THR A 56 1.110 9.293 2.019 1.00 1.24 C ATOM 0 HA THR A 56 3.036 8.518 -0.719 1.00 52.14 H new ATOM 0 HB THR A 56 2.322 10.339 0.605 1.00 13.42 H new ATOM 0 HG1 THR A 56 3.513 10.031 2.599 1.00 5.33 H new ATOM 0 HG21 THR A 56 1.129 10.100 2.751 1.00 1.24 H new ATOM 0 HG22 THR A 56 0.213 9.380 1.406 1.00 1.24 H new ATOM 0 HG23 THR A 56 1.104 8.334 2.536 1.00 1.24 H new ATOM 865 N LEU A 57 3.870 6.375 0.205 1.00 4.11 N ATOM 866 CA LEU A 57 4.414 5.134 0.745 1.00 23.20 C ATOM 867 C LEU A 57 4.996 5.354 2.138 1.00 50.53 C ATOM 868 O LEU A 57 4.939 4.470 2.992 1.00 3.13 O ATOM 869 CB LEU A 57 5.492 4.578 -0.188 1.00 34.42 C ATOM 870 CG LEU A 57 6.237 3.339 0.311 1.00 4.50 C ATOM 871 CD1 LEU A 57 5.347 2.110 0.227 1.00 75.22 C ATOM 872 CD2 LEU A 57 7.516 3.130 -0.487 1.00 21.42 C ATOM 0 H LEU A 57 4.371 6.737 -0.607 1.00 4.11 H new ATOM 0 HA LEU A 57 3.600 4.413 0.821 1.00 23.20 H new ATOM 0 HB2 LEU A 57 5.028 4.338 -1.144 1.00 34.42 H new ATOM 0 HB3 LEU A 57 6.222 5.365 -0.377 1.00 34.42 H new ATOM 0 HG LEU A 57 6.505 3.496 1.356 1.00 4.50 H new ATOM 0 HD11 LEU A 57 5.895 1.239 0.586 1.00 75.22 H new ATOM 0 HD12 LEU A 57 4.460 2.260 0.843 1.00 75.22 H new ATOM 0 HD13 LEU A 57 5.047 1.948 -0.808 1.00 75.22 H new ATOM 0 HD21 LEU A 57 8.034 2.244 -0.119 1.00 21.42 H new ATOM 0 HD22 LEU A 57 7.270 2.995 -1.540 1.00 21.42 H new ATOM 0 HD23 LEU A 57 8.162 4.001 -0.374 1.00 21.42 H new ATOM 884 N ASP A 58 5.553 6.540 2.359 1.00 13.05 N ATOM 885 CA ASP A 58 6.142 6.879 3.650 1.00 71.32 C ATOM 886 C ASP A 58 5.091 6.835 4.755 1.00 4.30 C ATOM 887 O ASP A 58 5.274 6.165 5.771 1.00 10.31 O ATOM 888 CB ASP A 58 6.783 8.266 3.593 1.00 24.01 C ATOM 889 CG ASP A 58 8.231 8.253 4.044 1.00 12.41 C ATOM 890 OD1 ASP A 58 8.479 7.967 5.234 1.00 3.32 O ATOM 891 OD2 ASP A 58 9.115 8.529 3.207 1.00 61.43 O ATOM 0 H ASP A 58 5.609 7.282 1.662 1.00 13.05 H new ATOM 0 HA ASP A 58 6.912 6.141 3.876 1.00 71.32 H new ATOM 0 HB2 ASP A 58 6.726 8.648 2.574 1.00 24.01 H new ATOM 0 HB3 ASP A 58 6.215 8.952 4.222 1.00 24.01 H new ATOM 896 N GLN A 59 3.993 7.555 4.549 1.00 30.31 N ATOM 897 CA GLN A 59 2.915 7.599 5.529 1.00 15.24 C ATOM 898 C GLN A 59 2.362 6.203 5.794 1.00 32.44 C ATOM 899 O GLN A 59 2.219 5.788 6.945 1.00 11.15 O ATOM 900 CB GLN A 59 1.794 8.521 5.045 1.00 71.43 C ATOM 901 CG GLN A 59 1.081 9.255 6.169 1.00 72.42 C ATOM 902 CD GLN A 59 1.094 10.759 5.984 1.00 52.22 C ATOM 903 OE1 GLN A 59 0.776 11.267 4.908 1.00 72.20 O ATOM 904 NE2 GLN A 59 1.463 11.482 7.035 1.00 74.00 N ATOM 0 H GLN A 59 3.827 8.115 3.713 1.00 30.31 H new ATOM 0 HA GLN A 59 3.322 7.991 6.461 1.00 15.24 H new ATOM 0 HB2 GLN A 59 2.210 9.252 4.352 1.00 71.43 H new ATOM 0 HB3 GLN A 59 1.066 7.932 4.488 1.00 71.43 H new ATOM 0 HG2 GLN A 59 0.049 8.909 6.227 1.00 72.42 H new ATOM 0 HG3 GLN A 59 1.554 9.005 7.119 1.00 72.42 H new ATOM 0 HE21 GLN A 59 1.718 11.020 7.908 1.00 74.00 H new ATOM 0 HE22 GLN A 59 1.491 12.500 6.970 1.00 74.00 H new ATOM 913 N LEU A 60 2.052 5.481 4.723 1.00 40.43 N ATOM 914 CA LEU A 60 1.514 4.130 4.839 1.00 2.31 C ATOM 915 C LEU A 60 2.425 3.254 5.693 1.00 75.51 C ATOM 916 O LEU A 60 1.955 2.494 6.540 1.00 13.14 O ATOM 917 CB LEU A 60 1.342 3.508 3.453 1.00 75.25 C ATOM 918 CG LEU A 60 0.770 2.090 3.420 1.00 62.22 C ATOM 919 CD1 LEU A 60 -0.660 2.102 2.902 1.00 3.41 C ATOM 920 CD2 LEU A 60 1.642 1.183 2.563 1.00 53.31 C ATOM 0 H LEU A 60 2.164 5.809 3.764 1.00 40.43 H new ATOM 0 HA LEU A 60 0.540 4.193 5.325 1.00 2.31 H new ATOM 0 HB2 LEU A 60 0.691 4.155 2.865 1.00 75.25 H new ATOM 0 HB3 LEU A 60 2.313 3.498 2.958 1.00 75.25 H new ATOM 0 HG LEU A 60 0.762 1.699 4.437 1.00 62.22 H new ATOM 0 HD11 LEU A 60 -1.050 1.084 2.886 1.00 3.41 H new ATOM 0 HD12 LEU A 60 -1.279 2.717 3.556 1.00 3.41 H new ATOM 0 HD13 LEU A 60 -0.678 2.513 1.893 1.00 3.41 H new ATOM 0 HD21 LEU A 60 1.220 0.178 2.551 1.00 53.31 H new ATOM 0 HD22 LEU A 60 1.682 1.572 1.546 1.00 53.31 H new ATOM 0 HD23 LEU A 60 2.649 1.149 2.978 1.00 53.31 H new ATOM 932 N ARG A 61 3.729 3.366 5.465 1.00 20.50 N ATOM 933 CA ARG A 61 4.705 2.584 6.214 1.00 24.31 C ATOM 934 C ARG A 61 4.603 2.874 7.709 1.00 43.34 C ATOM 935 O ARG A 61 4.615 1.959 8.532 1.00 31.43 O ATOM 936 CB ARG A 61 6.121 2.888 5.720 1.00 31.41 C ATOM 937 CG ARG A 61 7.197 2.070 6.415 1.00 3.14 C ATOM 938 CD ARG A 61 8.490 2.858 6.560 1.00 54.45 C ATOM 939 NE ARG A 61 9.104 3.143 5.266 1.00 64.13 N ATOM 940 CZ ARG A 61 10.227 3.839 5.123 1.00 54.15 C ATOM 941 NH1 ARG A 61 10.854 4.319 6.188 1.00 74.22 N ATOM 942 NH2 ARG A 61 10.724 4.056 3.912 1.00 42.22 N ATOM 0 H ARG A 61 4.134 3.991 4.768 1.00 20.50 H new ATOM 0 HA ARG A 61 4.489 1.528 6.051 1.00 24.31 H new ATOM 0 HB2 ARG A 61 6.170 2.701 4.647 1.00 31.41 H new ATOM 0 HB3 ARG A 61 6.329 3.948 5.869 1.00 31.41 H new ATOM 0 HG2 ARG A 61 6.844 1.764 7.400 1.00 3.14 H new ATOM 0 HG3 ARG A 61 7.387 1.159 5.847 1.00 3.14 H new ATOM 0 HD2 ARG A 61 8.288 3.795 7.080 1.00 54.45 H new ATOM 0 HD3 ARG A 61 9.190 2.296 7.178 1.00 54.45 H new ATOM 0 HE ARG A 61 8.646 2.789 4.426 1.00 64.13 H new ATOM 0 HH11 ARG A 61 10.475 4.154 7.120 1.00 74.22 H new ATOM 0 HH12 ARG A 61 11.716 4.853 6.075 1.00 74.22 H new ATOM 0 HH21 ARG A 61 10.244 3.689 3.090 1.00 42.22 H new ATOM 0 HH22 ARG A 61 11.586 4.590 3.803 1.00 42.22 H new ATOM 956 N LEU A 62 4.504 4.154 8.052 1.00 60.24 N ATOM 957 CA LEU A 62 4.400 4.566 9.447 1.00 24.02 C ATOM 958 C LEU A 62 3.061 4.144 10.042 1.00 73.44 C ATOM 959 O LEU A 62 2.987 3.723 11.196 1.00 32.12 O ATOM 960 CB LEU A 62 4.569 6.082 9.566 1.00 73.33 C ATOM 961 CG LEU A 62 5.562 6.566 10.622 1.00 10.25 C ATOM 962 CD1 LEU A 62 5.186 6.028 11.994 1.00 2.45 C ATOM 963 CD2 LEU A 62 6.978 6.150 10.254 1.00 64.41 C ATOM 0 H LEU A 62 4.494 4.924 7.383 1.00 60.24 H new ATOM 0 HA LEU A 62 5.196 4.073 10.005 1.00 24.02 H new ATOM 0 HB2 LEU A 62 4.883 6.470 8.597 1.00 73.33 H new ATOM 0 HB3 LEU A 62 3.595 6.520 9.784 1.00 73.33 H new ATOM 0 HG LEU A 62 5.523 7.655 10.658 1.00 10.25 H new ATOM 0 HD11 LEU A 62 5.904 6.383 12.733 1.00 2.45 H new ATOM 0 HD12 LEU A 62 4.188 6.377 12.261 1.00 2.45 H new ATOM 0 HD13 LEU A 62 5.196 4.938 11.973 1.00 2.45 H new ATOM 0 HD21 LEU A 62 7.671 6.503 11.017 1.00 64.41 H new ATOM 0 HD22 LEU A 62 7.033 5.063 10.189 1.00 64.41 H new ATOM 0 HD23 LEU A 62 7.246 6.585 9.291 1.00 64.41 H new ATOM 975 N VAL A 63 2.003 4.257 9.244 1.00 22.22 N ATOM 976 CA VAL A 63 0.666 3.884 9.690 1.00 61.40 C ATOM 977 C VAL A 63 0.604 2.407 10.064 1.00 75.15 C ATOM 978 O VAL A 63 -0.038 2.031 11.045 1.00 2.33 O ATOM 979 CB VAL A 63 -0.388 4.173 8.605 1.00 73.50 C ATOM 980 CG1 VAL A 63 -1.770 3.745 9.076 1.00 71.24 C ATOM 981 CG2 VAL A 63 -0.376 5.647 8.230 1.00 34.22 C ATOM 0 H VAL A 63 2.046 4.604 8.286 1.00 22.22 H new ATOM 0 HA VAL A 63 0.445 4.488 10.570 1.00 61.40 H new ATOM 0 HB VAL A 63 -0.138 3.594 7.716 1.00 73.50 H new ATOM 0 HG11 VAL A 63 -2.502 3.957 8.296 1.00 71.24 H new ATOM 0 HG12 VAL A 63 -1.767 2.676 9.290 1.00 71.24 H new ATOM 0 HG13 VAL A 63 -2.033 4.295 9.980 1.00 71.24 H new ATOM 0 HG21 VAL A 63 -1.127 5.833 7.462 1.00 34.22 H new ATOM 0 HG22 VAL A 63 -0.601 6.248 9.111 1.00 34.22 H new ATOM 0 HG23 VAL A 63 0.608 5.917 7.848 1.00 34.22 H new ATOM 991 N ILE A 64 1.274 1.574 9.275 1.00 73.14 N ATOM 992 CA ILE A 64 1.296 0.138 9.524 1.00 74.13 C ATOM 993 C ILE A 64 2.015 -0.183 10.829 1.00 1.34 C ATOM 994 O ILE A 64 1.469 -0.859 11.701 1.00 35.43 O ATOM 995 CB ILE A 64 1.981 -0.623 8.373 1.00 54.30 C ATOM 996 CG1 ILE A 64 1.240 -0.375 7.057 1.00 20.51 C ATOM 997 CG2 ILE A 64 2.039 -2.111 8.683 1.00 71.14 C ATOM 998 CD1 ILE A 64 2.138 -0.419 5.841 1.00 43.22 C ATOM 0 H ILE A 64 1.809 1.869 8.458 1.00 73.14 H new ATOM 0 HA ILE A 64 0.257 -0.185 9.595 1.00 74.13 H new ATOM 0 HB ILE A 64 3.001 -0.254 8.269 1.00 54.30 H new ATOM 0 HG12 ILE A 64 0.454 -1.122 6.946 1.00 20.51 H new ATOM 0 HG13 ILE A 64 0.751 0.598 7.103 1.00 20.51 H new ATOM 0 HG21 ILE A 64 2.526 -2.635 7.861 1.00 71.14 H new ATOM 0 HG22 ILE A 64 2.606 -2.270 9.600 1.00 71.14 H new ATOM 0 HG23 ILE A 64 1.027 -2.496 8.810 1.00 71.14 H new ATOM 0 HD11 ILE A 64 1.546 -0.235 4.945 1.00 43.22 H new ATOM 0 HD12 ILE A 64 2.909 0.346 5.930 1.00 43.22 H new ATOM 0 HD13 ILE A 64 2.607 -1.400 5.771 1.00 43.22 H new ATOM 1010 N CYS A 65 3.242 0.309 10.958 1.00 65.31 N ATOM 1011 CA CYS A 65 4.038 0.076 12.158 1.00 35.44 C ATOM 1012 C CYS A 65 3.351 0.662 13.388 1.00 72.23 C ATOM 1013 O CYS A 65 3.367 0.065 14.464 1.00 22.32 O ATOM 1014 CB CYS A 65 5.431 0.685 11.999 1.00 61.24 C ATOM 1015 SG CYS A 65 6.784 -0.477 12.298 1.00 34.20 S ATOM 0 H CYS A 65 3.708 0.872 10.246 1.00 65.31 H new ATOM 0 HA CYS A 65 4.135 -1.001 12.296 1.00 35.44 H new ATOM 0 HB2 CYS A 65 5.527 1.086 10.990 1.00 61.24 H new ATOM 0 HB3 CYS A 65 5.529 1.525 12.687 1.00 61.24 H new ATOM 0 HG CYS A 65 7.922 0.131 12.137 1.00 34.20 H new ATOM 1021 N ASP A 66 2.750 1.834 13.220 1.00 54.41 N ATOM 1022 CA ASP A 66 2.057 2.502 14.316 1.00 44.50 C ATOM 1023 C ASP A 66 0.800 1.735 14.713 1.00 50.14 C ATOM 1024 O ASP A 66 0.639 1.340 15.868 1.00 4.02 O ATOM 1025 CB ASP A 66 1.693 3.934 13.920 1.00 54.01 C ATOM 1026 CG ASP A 66 0.962 4.672 15.024 1.00 32.13 C ATOM 1027 OD1 ASP A 66 1.625 5.097 15.993 1.00 41.31 O ATOM 1028 OD2 ASP A 66 -0.274 4.823 14.921 1.00 43.34 O ATOM 0 H ASP A 66 2.728 2.342 12.336 1.00 54.41 H new ATOM 0 HA ASP A 66 2.729 2.530 15.174 1.00 44.50 H new ATOM 0 HB2 ASP A 66 2.601 4.479 13.663 1.00 54.01 H new ATOM 0 HB3 ASP A 66 1.070 3.913 13.026 1.00 54.01 H new ATOM 1033 N LEU A 67 -0.090 1.528 13.748 1.00 44.41 N ATOM 1034 CA LEU A 67 -1.334 0.809 13.996 1.00 32.01 C ATOM 1035 C LEU A 67 -1.056 -0.589 14.538 1.00 70.51 C ATOM 1036 O LEU A 67 -1.645 -1.007 15.534 1.00 31.24 O ATOM 1037 CB LEU A 67 -2.158 0.716 12.710 1.00 25.33 C ATOM 1038 CG LEU A 67 -3.292 -0.309 12.713 1.00 73.22 C ATOM 1039 CD1 LEU A 67 -4.459 0.184 11.871 1.00 63.14 C ATOM 1040 CD2 LEU A 67 -2.796 -1.655 12.204 1.00 34.15 C ATOM 0 H LEU A 67 0.027 1.848 12.787 1.00 44.41 H new ATOM 0 HA LEU A 67 -1.902 1.362 14.744 1.00 32.01 H new ATOM 0 HB2 LEU A 67 -2.583 1.698 12.503 1.00 25.33 H new ATOM 0 HB3 LEU A 67 -1.484 0.480 11.886 1.00 25.33 H new ATOM 0 HG LEU A 67 -3.638 -0.436 13.739 1.00 73.22 H new ATOM 0 HD11 LEU A 67 -5.257 -0.559 11.885 1.00 63.14 H new ATOM 0 HD12 LEU A 67 -4.831 1.124 12.279 1.00 63.14 H new ATOM 0 HD13 LEU A 67 -4.127 0.341 10.845 1.00 63.14 H new ATOM 0 HD21 LEU A 67 -3.617 -2.372 12.213 1.00 34.15 H new ATOM 0 HD22 LEU A 67 -2.422 -1.544 11.186 1.00 34.15 H new ATOM 0 HD23 LEU A 67 -1.993 -2.014 12.848 1.00 34.15 H new ATOM 1052 N GLN A 68 -0.154 -1.306 13.876 1.00 63.42 N ATOM 1053 CA GLN A 68 0.203 -2.657 14.293 1.00 63.35 C ATOM 1054 C GLN A 68 0.728 -2.664 15.724 1.00 23.44 C ATOM 1055 O GLN A 68 0.464 -3.593 16.487 1.00 21.12 O ATOM 1056 CB GLN A 68 1.254 -3.244 13.349 1.00 42.05 C ATOM 1057 CG GLN A 68 1.809 -4.582 13.811 1.00 12.43 C ATOM 1058 CD GLN A 68 2.865 -5.132 12.873 1.00 53.30 C ATOM 1059 OE1 GLN A 68 3.317 -4.444 11.957 1.00 74.11 O ATOM 1060 NE2 GLN A 68 3.264 -6.378 13.097 1.00 64.13 N ATOM 0 H GLN A 68 0.343 -0.974 13.049 1.00 63.42 H new ATOM 0 HA GLN A 68 -0.696 -3.272 14.252 1.00 63.35 H new ATOM 0 HB2 GLN A 68 0.814 -3.365 12.359 1.00 42.05 H new ATOM 0 HB3 GLN A 68 2.076 -2.535 13.248 1.00 42.05 H new ATOM 0 HG2 GLN A 68 2.237 -4.469 14.807 1.00 12.43 H new ATOM 0 HG3 GLN A 68 0.993 -5.300 13.894 1.00 12.43 H new ATOM 0 HE21 GLN A 68 2.862 -6.911 13.868 1.00 64.13 H new ATOM 0 HE22 GLN A 68 3.973 -6.802 12.498 1.00 64.13 H new ATOM 1069 N GLU A 69 1.473 -1.623 16.082 1.00 42.24 N ATOM 1070 CA GLU A 69 2.036 -1.511 17.422 1.00 0.02 C ATOM 1071 C GLU A 69 0.931 -1.453 18.473 1.00 21.51 C ATOM 1072 O GLU A 69 0.925 -2.233 19.426 1.00 70.01 O ATOM 1073 CB GLU A 69 2.919 -0.266 17.526 1.00 3.13 C ATOM 1074 CG GLU A 69 4.397 -0.548 17.312 1.00 31.25 C ATOM 1075 CD GLU A 69 5.229 0.718 17.247 1.00 61.44 C ATOM 1076 OE1 GLU A 69 4.854 1.710 17.905 1.00 54.24 O ATOM 1077 OE2 GLU A 69 6.257 0.715 16.537 1.00 53.03 O ATOM 0 H GLU A 69 1.701 -0.845 15.463 1.00 42.24 H new ATOM 0 HA GLU A 69 2.645 -2.396 17.608 1.00 0.02 H new ATOM 0 HB2 GLU A 69 2.587 0.467 16.790 1.00 3.13 H new ATOM 0 HB3 GLU A 69 2.782 0.185 18.509 1.00 3.13 H new ATOM 0 HG2 GLU A 69 4.764 -1.178 18.122 1.00 31.25 H new ATOM 0 HG3 GLU A 69 4.526 -1.111 16.387 1.00 31.25 H new ATOM 1084 N ARG A 70 -0.002 -0.524 18.292 1.00 23.31 N ATOM 1085 CA ARG A 70 -1.111 -0.363 19.225 1.00 64.12 C ATOM 1086 C ARG A 70 -2.027 -1.583 19.195 1.00 14.53 C ATOM 1087 O ARG A 70 -2.373 -2.137 20.239 1.00 51.03 O ATOM 1088 CB ARG A 70 -1.909 0.897 18.888 1.00 55.25 C ATOM 1089 CG ARG A 70 -1.392 2.149 19.577 1.00 43.13 C ATOM 1090 CD ARG A 70 -2.523 3.106 19.917 1.00 54.10 C ATOM 1091 NE ARG A 70 -2.026 4.399 20.381 1.00 73.32 N ATOM 1092 CZ ARG A 70 -1.556 4.609 21.605 1.00 31.22 C ATOM 1093 NH1 ARG A 70 -1.519 3.617 22.484 1.00 63.31 N ATOM 1094 NH2 ARG A 70 -1.121 5.813 21.953 1.00 55.44 N ATOM 0 H ARG A 70 -0.012 0.128 17.508 1.00 23.31 H new ATOM 0 HA ARG A 70 -0.698 -0.265 20.229 1.00 64.12 H new ATOM 0 HB2 ARG A 70 -1.889 1.052 17.809 1.00 55.25 H new ATOM 0 HB3 ARG A 70 -2.951 0.742 19.168 1.00 55.25 H new ATOM 0 HG2 ARG A 70 -0.863 1.871 20.488 1.00 43.13 H new ATOM 0 HG3 ARG A 70 -0.672 2.650 18.930 1.00 43.13 H new ATOM 0 HD2 ARG A 70 -3.150 3.253 19.038 1.00 54.10 H new ATOM 0 HD3 ARG A 70 -3.154 2.663 20.687 1.00 54.10 H new ATOM 0 HE ARG A 70 -2.041 5.183 19.729 1.00 73.32 H new ATOM 0 HH11 ARG A 70 -1.852 2.690 22.221 1.00 63.31 H new ATOM 0 HH12 ARG A 70 -1.157 3.781 23.423 1.00 63.31 H new ATOM 0 HH21 ARG A 70 -1.147 6.579 21.280 1.00 55.44 H new ATOM 0 HH22 ARG A 70 -0.760 5.973 22.894 1.00 55.44 H new ATOM 1108 N ARG A 71 -2.418 -1.994 17.993 1.00 2.04 N ATOM 1109 CA ARG A 71 -3.296 -3.146 17.828 1.00 23.11 C ATOM 1110 C ARG A 71 -2.697 -4.385 18.487 1.00 23.04 C ATOM 1111 O ARG A 71 -3.384 -5.110 19.206 1.00 64.31 O ATOM 1112 CB ARG A 71 -3.545 -3.416 16.343 1.00 43.40 C ATOM 1113 CG ARG A 71 -4.817 -2.775 15.813 1.00 71.32 C ATOM 1114 CD ARG A 71 -4.828 -1.274 16.055 1.00 33.15 C ATOM 1115 NE ARG A 71 -5.697 -0.906 17.170 1.00 33.31 N ATOM 1116 CZ ARG A 71 -5.655 0.275 17.776 1.00 23.14 C ATOM 1117 NH1 ARG A 71 -4.790 1.198 17.377 1.00 35.25 N ATOM 1118 NH2 ARG A 71 -6.478 0.535 18.784 1.00 73.12 N ATOM 0 H ARG A 71 -2.141 -1.546 17.119 1.00 2.04 H new ATOM 0 HA ARG A 71 -4.245 -2.920 18.314 1.00 23.11 H new ATOM 0 HB2 ARG A 71 -2.696 -3.048 15.768 1.00 43.40 H new ATOM 0 HB3 ARG A 71 -3.596 -4.493 16.182 1.00 43.40 H new ATOM 0 HG2 ARG A 71 -4.908 -2.973 14.745 1.00 71.32 H new ATOM 0 HG3 ARG A 71 -5.683 -3.229 16.296 1.00 71.32 H new ATOM 0 HD2 ARG A 71 -3.813 -0.932 16.258 1.00 33.15 H new ATOM 0 HD3 ARG A 71 -5.162 -0.764 15.152 1.00 33.15 H new ATOM 0 HE ARG A 71 -6.373 -1.594 17.501 1.00 33.31 H new ATOM 0 HH11 ARG A 71 -4.155 1.001 16.603 1.00 35.25 H new ATOM 0 HH12 ARG A 71 -4.760 2.104 17.844 1.00 35.25 H new ATOM 0 HH21 ARG A 71 -7.144 -0.173 19.094 1.00 73.12 H new ATOM 0 HH22 ARG A 71 -6.445 1.442 19.249 1.00 73.12 H new ATOM 1132 N GLU A 72 -1.413 -4.620 18.237 1.00 65.23 N ATOM 1133 CA GLU A 72 -0.722 -5.772 18.805 1.00 34.11 C ATOM 1134 C GLU A 72 -0.805 -5.758 20.329 1.00 70.42 C ATOM 1135 O GLU A 72 -1.135 -6.767 20.954 1.00 51.25 O ATOM 1136 CB GLU A 72 0.742 -5.786 18.363 1.00 64.40 C ATOM 1137 CG GLU A 72 1.564 -6.887 19.013 1.00 13.02 C ATOM 1138 CD GLU A 72 2.590 -7.484 18.070 1.00 52.02 C ATOM 1139 OE1 GLU A 72 2.226 -8.393 17.295 1.00 23.43 O ATOM 1140 OE2 GLU A 72 3.757 -7.041 18.106 1.00 11.23 O ATOM 0 H GLU A 72 -0.830 -4.028 17.645 1.00 65.23 H new ATOM 0 HA GLU A 72 -1.212 -6.674 18.439 1.00 34.11 H new ATOM 0 HB2 GLU A 72 0.785 -5.903 17.280 1.00 64.40 H new ATOM 0 HB3 GLU A 72 1.193 -4.821 18.597 1.00 64.40 H new ATOM 0 HG2 GLU A 72 2.072 -6.486 19.890 1.00 13.02 H new ATOM 0 HG3 GLU A 72 0.897 -7.674 19.363 1.00 13.02 H new ATOM 1147 N LYS A 73 -0.502 -4.608 20.922 1.00 72.55 N ATOM 1148 CA LYS A 73 -0.542 -4.461 22.372 1.00 51.45 C ATOM 1149 C LYS A 73 -1.910 -4.853 22.921 1.00 50.41 C ATOM 1150 O LYS A 73 -2.010 -5.486 23.972 1.00 24.00 O ATOM 1151 CB LYS A 73 -0.216 -3.019 22.767 1.00 50.30 C ATOM 1152 CG LYS A 73 0.939 -2.903 23.747 1.00 35.01 C ATOM 1153 CD LYS A 73 0.953 -1.548 24.435 1.00 72.05 C ATOM 1154 CE LYS A 73 0.753 -1.683 25.936 1.00 13.23 C ATOM 1155 NZ LYS A 73 0.420 -0.377 26.571 1.00 74.42 N ATOM 0 H LYS A 73 -0.226 -3.764 20.420 1.00 72.55 H new ATOM 0 HA LYS A 73 0.206 -5.127 22.801 1.00 51.45 H new ATOM 0 HB2 LYS A 73 0.022 -2.450 21.868 1.00 50.30 H new ATOM 0 HB3 LYS A 73 -1.102 -2.563 23.207 1.00 50.30 H new ATOM 0 HG2 LYS A 73 0.863 -3.691 24.496 1.00 35.01 H new ATOM 0 HG3 LYS A 73 1.881 -3.054 23.220 1.00 35.01 H new ATOM 0 HD2 LYS A 73 1.901 -1.048 24.237 1.00 72.05 H new ATOM 0 HD3 LYS A 73 0.167 -0.919 24.017 1.00 72.05 H new ATOM 0 HE2 LYS A 73 -0.047 -2.397 26.133 1.00 13.23 H new ATOM 0 HE3 LYS A 73 1.659 -2.086 26.388 1.00 13.23 H new ATOM 0 HZ1 LYS A 73 0.291 -0.511 27.594 1.00 74.42 H new ATOM 0 HZ2 LYS A 73 1.194 0.297 26.405 1.00 74.42 H new ATOM 0 HZ3 LYS A 73 -0.458 -0.004 26.158 1.00 74.42 H new ATOM 1169 N PHE A 74 -2.962 -4.473 22.203 1.00 61.42 N ATOM 1170 CA PHE A 74 -4.324 -4.786 22.619 1.00 52.05 C ATOM 1171 C PHE A 74 -4.644 -6.257 22.371 1.00 74.21 C ATOM 1172 O PHE A 74 -5.494 -6.841 23.043 1.00 43.30 O ATOM 1173 CB PHE A 74 -5.324 -3.902 21.870 1.00 0.11 C ATOM 1174 CG PHE A 74 -6.270 -3.167 22.776 1.00 2.13 C ATOM 1175 CD1 PHE A 74 -7.041 -3.855 23.699 1.00 12.21 C ATOM 1176 CD2 PHE A 74 -6.387 -1.788 22.706 1.00 71.13 C ATOM 1177 CE1 PHE A 74 -7.913 -3.181 24.533 1.00 1.25 C ATOM 1178 CE2 PHE A 74 -7.257 -1.109 23.538 1.00 42.41 C ATOM 1179 CZ PHE A 74 -8.020 -1.806 24.454 1.00 61.03 C ATOM 0 H PHE A 74 -2.897 -3.948 21.331 1.00 61.42 H new ATOM 0 HA PHE A 74 -4.405 -4.590 23.688 1.00 52.05 H new ATOM 0 HB2 PHE A 74 -4.776 -3.179 21.266 1.00 0.11 H new ATOM 0 HB3 PHE A 74 -5.900 -4.521 21.182 1.00 0.11 H new ATOM 0 HD1 PHE A 74 -6.960 -4.930 23.768 1.00 12.21 H new ATOM 0 HD2 PHE A 74 -5.791 -1.237 21.993 1.00 71.13 H new ATOM 0 HE1 PHE A 74 -8.511 -3.729 25.246 1.00 1.25 H new ATOM 0 HE2 PHE A 74 -7.340 -0.034 23.472 1.00 42.41 H new ATOM 0 HZ PHE A 74 -8.699 -1.277 25.107 1.00 61.03 H new ATOM 1189 N GLY A 75 -3.957 -6.851 21.400 1.00 73.14 N ATOM 1190 CA GLY A 75 -4.183 -8.248 21.079 1.00 25.41 C ATOM 1191 C GLY A 75 -4.005 -8.540 19.602 1.00 23.54 C ATOM 1192 O GLY A 75 -3.905 -7.622 18.789 1.00 74.24 O ATOM 0 H GLY A 75 -3.248 -6.390 20.830 1.00 73.14 H new ATOM 0 HA2 GLY A 75 -3.493 -8.866 21.654 1.00 25.41 H new ATOM 0 HA3 GLY A 75 -5.191 -8.529 21.383 1.00 25.41 H new ATOM 1196 N SER A 76 -3.963 -9.823 19.255 1.00 4.22 N ATOM 1197 CA SER A 76 -3.790 -10.234 17.867 1.00 43.42 C ATOM 1198 C SER A 76 -5.119 -10.675 17.261 1.00 24.34 C ATOM 1199 O SER A 76 -5.911 -11.360 17.908 1.00 11.24 O ATOM 1200 CB SER A 76 -2.770 -11.370 17.772 1.00 33.53 C ATOM 1201 OG SER A 76 -2.110 -11.568 19.011 1.00 75.13 O ATOM 0 H SER A 76 -4.046 -10.595 19.916 1.00 4.22 H new ATOM 0 HA SER A 76 -3.421 -9.377 17.304 1.00 43.42 H new ATOM 0 HB2 SER A 76 -3.272 -12.290 17.473 1.00 33.53 H new ATOM 0 HB3 SER A 76 -2.037 -11.141 16.998 1.00 33.53 H new ATOM 0 HG SER A 76 -1.465 -12.300 18.924 1.00 75.13 H new ATOM 1207 N SER A 77 -5.355 -10.278 16.015 1.00 31.02 N ATOM 1208 CA SER A 77 -6.589 -10.629 15.322 1.00 13.23 C ATOM 1209 C SER A 77 -6.348 -10.772 13.823 1.00 54.05 C ATOM 1210 O SER A 77 -5.591 -10.005 13.227 1.00 30.31 O ATOM 1211 CB SER A 77 -7.662 -9.569 15.579 1.00 12.11 C ATOM 1212 OG SER A 77 -7.834 -8.732 14.448 1.00 21.51 O ATOM 0 H SER A 77 -4.708 -9.713 15.465 1.00 31.02 H new ATOM 0 HA SER A 77 -6.935 -11.587 15.710 1.00 13.23 H new ATOM 0 HB2 SER A 77 -8.607 -10.055 15.823 1.00 12.11 H new ATOM 0 HB3 SER A 77 -7.382 -8.966 16.443 1.00 12.11 H new ATOM 0 HG SER A 77 -8.526 -8.064 14.637 1.00 21.51 H new ATOM 1218 N LYS A 78 -6.999 -11.760 13.217 1.00 5.00 N ATOM 1219 CA LYS A 78 -6.858 -12.005 11.787 1.00 60.53 C ATOM 1220 C LYS A 78 -7.109 -10.730 10.988 1.00 21.15 C ATOM 1221 O LYS A 78 -6.491 -10.507 9.948 1.00 23.03 O ATOM 1222 CB LYS A 78 -7.829 -13.100 11.338 1.00 13.23 C ATOM 1223 CG LYS A 78 -7.536 -14.460 11.948 1.00 54.14 C ATOM 1224 CD LYS A 78 -6.822 -15.370 10.962 1.00 34.24 C ATOM 1225 CE LYS A 78 -5.370 -14.958 10.775 1.00 72.41 C ATOM 1226 NZ LYS A 78 -4.617 -15.942 9.949 1.00 60.31 N ATOM 0 H LYS A 78 -7.630 -12.404 13.695 1.00 5.00 H new ATOM 0 HA LYS A 78 -5.836 -12.334 11.600 1.00 60.53 H new ATOM 0 HB2 LYS A 78 -8.844 -12.804 11.602 1.00 13.23 H new ATOM 0 HB3 LYS A 78 -7.793 -13.183 10.252 1.00 13.23 H new ATOM 0 HG2 LYS A 78 -6.922 -14.335 12.840 1.00 54.14 H new ATOM 0 HG3 LYS A 78 -8.469 -14.926 12.266 1.00 54.14 H new ATOM 0 HD2 LYS A 78 -6.866 -16.399 11.317 1.00 34.24 H new ATOM 0 HD3 LYS A 78 -7.336 -15.342 10.001 1.00 34.24 H new ATOM 0 HE2 LYS A 78 -5.329 -13.978 10.300 1.00 72.41 H new ATOM 0 HE3 LYS A 78 -4.892 -14.860 11.750 1.00 72.41 H new ATOM 0 HZ1 LYS A 78 -3.632 -15.626 9.844 1.00 60.31 H new ATOM 0 HZ2 LYS A 78 -4.635 -16.872 10.415 1.00 60.31 H new ATOM 0 HZ3 LYS A 78 -5.058 -16.017 9.010 1.00 60.31 H new ATOM 1240 N GLU A 79 -8.019 -9.897 11.484 1.00 45.43 N ATOM 1241 CA GLU A 79 -8.349 -8.643 10.816 1.00 74.43 C ATOM 1242 C GLU A 79 -7.146 -7.706 10.791 1.00 44.15 C ATOM 1243 O GLU A 79 -6.835 -7.105 9.761 1.00 20.25 O ATOM 1244 CB GLU A 79 -9.526 -7.961 11.516 1.00 33.44 C ATOM 1245 CG GLU A 79 -10.783 -8.813 11.563 1.00 35.44 C ATOM 1246 CD GLU A 79 -11.132 -9.262 12.969 1.00 11.23 C ATOM 1247 OE1 GLU A 79 -10.566 -10.276 13.427 1.00 63.22 O ATOM 1248 OE2 GLU A 79 -11.972 -8.597 13.612 1.00 21.41 O ATOM 0 H GLU A 79 -8.540 -10.067 12.344 1.00 45.43 H new ATOM 0 HA GLU A 79 -8.630 -8.872 9.788 1.00 74.43 H new ATOM 0 HB2 GLU A 79 -9.233 -7.704 12.534 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -9.750 -7.026 11.003 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.617 -8.246 11.149 1.00 35.44 H new ATOM 0 HG3 GLU A 79 -10.647 -9.689 10.929 1.00 35.44 H new ATOM 1255 N ILE A 80 -6.473 -7.586 11.930 1.00 2.00 N ATOM 1256 CA ILE A 80 -5.303 -6.723 12.039 1.00 54.41 C ATOM 1257 C ILE A 80 -4.111 -7.317 11.297 1.00 3.43 C ATOM 1258 O ILE A 80 -3.463 -6.639 10.499 1.00 71.32 O ATOM 1259 CB ILE A 80 -4.913 -6.486 13.510 1.00 72.22 C ATOM 1260 CG1 ILE A 80 -6.101 -5.922 14.291 1.00 15.40 C ATOM 1261 CG2 ILE A 80 -3.720 -5.546 13.597 1.00 53.12 C ATOM 1262 CD1 ILE A 80 -6.618 -4.611 13.741 1.00 55.12 C ATOM 0 H ILE A 80 -6.718 -8.075 12.791 1.00 2.00 H new ATOM 0 HA ILE A 80 -5.571 -5.769 11.585 1.00 54.41 H new ATOM 0 HB ILE A 80 -4.631 -7.441 13.954 1.00 72.22 H new ATOM 0 HG12 ILE A 80 -6.909 -6.653 14.285 1.00 15.40 H new ATOM 0 HG13 ILE A 80 -5.807 -5.780 15.331 1.00 15.40 H new ATOM 0 HG21 ILE A 80 -3.456 -5.388 14.643 1.00 53.12 H new ATOM 0 HG22 ILE A 80 -2.872 -5.985 13.071 1.00 53.12 H new ATOM 0 HG23 ILE A 80 -3.976 -4.590 13.139 1.00 53.12 H new ATOM 0 HD11 ILE A 80 -7.460 -4.270 14.344 1.00 55.12 H new ATOM 0 HD12 ILE A 80 -5.824 -3.865 13.772 1.00 55.12 H new ATOM 0 HD13 ILE A 80 -6.943 -4.752 12.710 1.00 55.12 H new ATOM 1274 N ASP A 81 -3.827 -8.586 11.566 1.00 71.44 N ATOM 1275 CA ASP A 81 -2.714 -9.274 10.922 1.00 43.44 C ATOM 1276 C ASP A 81 -2.830 -9.193 9.403 1.00 55.22 C ATOM 1277 O ASP A 81 -1.848 -8.937 8.708 1.00 43.12 O ATOM 1278 CB ASP A 81 -2.665 -10.737 11.365 1.00 43.33 C ATOM 1279 CG ASP A 81 -1.920 -10.921 12.672 1.00 23.11 C ATOM 1280 OD1 ASP A 81 -1.426 -9.914 13.220 1.00 45.10 O ATOM 1281 OD2 ASP A 81 -1.830 -12.073 13.147 1.00 41.11 O ATOM 0 H ASP A 81 -4.352 -9.160 12.226 1.00 71.44 H new ATOM 0 HA ASP A 81 -1.791 -8.780 11.225 1.00 43.44 H new ATOM 0 HB2 ASP A 81 -3.682 -11.115 11.473 1.00 43.33 H new ATOM 0 HB3 ASP A 81 -2.184 -11.333 10.589 1.00 43.33 H new ATOM 1286 N MET A 82 -4.038 -9.414 8.895 1.00 55.23 N ATOM 1287 CA MET A 82 -4.283 -9.366 7.458 1.00 53.31 C ATOM 1288 C MET A 82 -4.025 -7.966 6.909 1.00 71.21 C ATOM 1289 O MET A 82 -3.325 -7.800 5.910 1.00 32.54 O ATOM 1290 CB MET A 82 -5.720 -9.790 7.149 1.00 33.23 C ATOM 1291 CG MET A 82 -5.903 -11.297 7.060 1.00 52.42 C ATOM 1292 SD MET A 82 -7.412 -11.763 6.189 1.00 1.35 S ATOM 1293 CE MET A 82 -7.597 -13.464 6.719 1.00 2.45 C ATOM 0 H MET A 82 -4.862 -9.628 9.457 1.00 55.23 H new ATOM 0 HA MET A 82 -3.595 -10.060 6.974 1.00 53.31 H new ATOM 0 HB2 MET A 82 -6.380 -9.397 7.922 1.00 33.23 H new ATOM 0 HB3 MET A 82 -6.029 -9.338 6.206 1.00 33.23 H new ATOM 0 HG2 MET A 82 -5.044 -11.734 6.550 1.00 52.42 H new ATOM 0 HG3 MET A 82 -5.924 -11.717 8.066 1.00 52.42 H new ATOM 0 HE1 MET A 82 -8.490 -13.892 6.263 1.00 2.45 H new ATOM 0 HE2 MET A 82 -6.722 -14.038 6.413 1.00 2.45 H new ATOM 0 HE3 MET A 82 -7.692 -13.499 7.804 1.00 2.45 H new ATOM 1303 N ALA A 83 -4.595 -6.962 7.568 1.00 61.51 N ATOM 1304 CA ALA A 83 -4.425 -5.578 7.146 1.00 5.44 C ATOM 1305 C ALA A 83 -2.949 -5.233 6.976 1.00 22.04 C ATOM 1306 O ALA A 83 -2.572 -4.517 6.048 1.00 11.45 O ATOM 1307 CB ALA A 83 -5.076 -4.637 8.149 1.00 10.21 C ATOM 0 H ALA A 83 -5.178 -7.082 8.396 1.00 61.51 H new ATOM 0 HA ALA A 83 -4.914 -5.456 6.179 1.00 5.44 H new ATOM 0 HB1 ALA A 83 -4.941 -3.606 7.821 1.00 10.21 H new ATOM 0 HB2 ALA A 83 -6.141 -4.860 8.219 1.00 10.21 H new ATOM 0 HB3 ALA A 83 -4.613 -4.770 9.127 1.00 10.21 H new ATOM 1313 N ILE A 84 -2.119 -5.747 7.878 1.00 45.43 N ATOM 1314 CA ILE A 84 -0.684 -5.493 7.826 1.00 11.03 C ATOM 1315 C ILE A 84 -0.051 -6.163 6.612 1.00 44.24 C ATOM 1316 O ILE A 84 0.764 -5.561 5.911 1.00 15.23 O ATOM 1317 CB ILE A 84 0.022 -5.993 9.100 1.00 0.45 C ATOM 1318 CG1 ILE A 84 -0.569 -5.313 10.337 1.00 2.52 C ATOM 1319 CG2 ILE A 84 1.519 -5.735 9.012 1.00 31.40 C ATOM 1320 CD1 ILE A 84 -0.264 -6.038 11.629 1.00 13.02 C ATOM 0 H ILE A 84 -2.415 -6.341 8.653 1.00 45.43 H new ATOM 0 HA ILE A 84 -0.557 -4.413 7.749 1.00 11.03 H new ATOM 0 HB ILE A 84 -0.137 -7.068 9.188 1.00 0.45 H new ATOM 0 HG12 ILE A 84 -0.184 -4.295 10.401 1.00 2.52 H new ATOM 0 HG13 ILE A 84 -1.650 -5.238 10.219 1.00 2.52 H new ATOM 0 HG21 ILE A 84 2.004 -6.094 9.920 1.00 31.40 H new ATOM 0 HG22 ILE A 84 1.929 -6.261 8.150 1.00 31.40 H new ATOM 0 HG23 ILE A 84 1.698 -4.665 8.904 1.00 31.40 H new ATOM 0 HD11 ILE A 84 -0.714 -5.500 12.463 1.00 13.02 H new ATOM 0 HD12 ILE A 84 -0.674 -7.047 11.585 1.00 13.02 H new ATOM 0 HD13 ILE A 84 0.815 -6.090 11.771 1.00 13.02 H new ATOM 1332 N VAL A 85 -0.431 -7.413 6.366 1.00 12.51 N ATOM 1333 CA VAL A 85 0.097 -8.164 5.234 1.00 21.20 C ATOM 1334 C VAL A 85 -0.340 -7.545 3.911 1.00 4.32 C ATOM 1335 O VAL A 85 0.454 -7.423 2.977 1.00 11.34 O ATOM 1336 CB VAL A 85 -0.359 -9.635 5.275 1.00 42.21 C ATOM 1337 CG1 VAL A 85 0.175 -10.393 4.069 1.00 74.10 C ATOM 1338 CG2 VAL A 85 0.088 -10.295 6.570 1.00 1.15 C ATOM 0 H VAL A 85 -1.103 -7.927 6.936 1.00 12.51 H new ATOM 0 HA VAL A 85 1.184 -8.125 5.308 1.00 21.20 H new ATOM 0 HB VAL A 85 -1.448 -9.661 5.238 1.00 42.21 H new ATOM 0 HG11 VAL A 85 -0.157 -11.430 4.115 1.00 74.10 H new ATOM 0 HG12 VAL A 85 -0.199 -9.932 3.155 1.00 74.10 H new ATOM 0 HG13 VAL A 85 1.265 -10.360 4.072 1.00 74.10 H new ATOM 0 HG21 VAL A 85 -0.243 -11.334 6.582 1.00 1.15 H new ATOM 0 HG22 VAL A 85 1.175 -10.259 6.640 1.00 1.15 H new ATOM 0 HG23 VAL A 85 -0.348 -9.766 7.417 1.00 1.15 H new ATOM 1348 N THR A 86 -1.608 -7.154 3.837 1.00 11.53 N ATOM 1349 CA THR A 86 -2.152 -6.547 2.629 1.00 43.22 C ATOM 1350 C THR A 86 -1.378 -5.289 2.249 1.00 34.23 C ATOM 1351 O THR A 86 -0.982 -5.116 1.096 1.00 23.11 O ATOM 1352 CB THR A 86 -3.640 -6.188 2.801 1.00 61.54 C ATOM 1353 OG1 THR A 86 -3.800 -5.265 3.883 1.00 44.30 O ATOM 1354 CG2 THR A 86 -4.470 -7.436 3.065 1.00 2.30 C ATOM 0 H THR A 86 -2.278 -7.247 4.600 1.00 11.53 H new ATOM 0 HA THR A 86 -2.054 -7.285 1.833 1.00 43.22 H new ATOM 0 HB THR A 86 -3.989 -5.727 1.877 1.00 61.54 H new ATOM 0 HG1 THR A 86 -3.066 -5.379 4.522 1.00 44.30 H new ATOM 0 HG21 THR A 86 -5.517 -7.158 3.183 1.00 2.30 H new ATOM 0 HG22 THR A 86 -4.370 -8.124 2.226 1.00 2.30 H new ATOM 0 HG23 THR A 86 -4.118 -7.921 3.976 1.00 2.30 H new ATOM 1362 N LEU A 87 -1.166 -4.414 3.226 1.00 53.33 N ATOM 1363 CA LEU A 87 -0.439 -3.171 2.994 1.00 43.30 C ATOM 1364 C LEU A 87 1.020 -3.450 2.646 1.00 72.23 C ATOM 1365 O LEU A 87 1.648 -2.696 1.903 1.00 52.25 O ATOM 1366 CB LEU A 87 -0.517 -2.273 4.230 1.00 23.01 C ATOM 1367 CG LEU A 87 -1.903 -1.729 4.578 1.00 43.20 C ATOM 1368 CD1 LEU A 87 -1.822 -0.784 5.767 1.00 51.43 C ATOM 1369 CD2 LEU A 87 -2.517 -1.026 3.376 1.00 3.10 C ATOM 0 H LEU A 87 -1.487 -4.542 4.186 1.00 53.33 H new ATOM 0 HA LEU A 87 -0.903 -2.660 2.151 1.00 43.30 H new ATOM 0 HB2 LEU A 87 -0.143 -2.834 5.086 1.00 23.01 H new ATOM 0 HB3 LEU A 87 0.157 -1.429 4.084 1.00 23.01 H new ATOM 0 HG LEU A 87 -2.544 -2.568 4.850 1.00 43.20 H new ATOM 0 HD11 LEU A 87 -2.818 -0.407 6.000 1.00 51.43 H new ATOM 0 HD12 LEU A 87 -1.425 -1.318 6.630 1.00 51.43 H new ATOM 0 HD13 LEU A 87 -1.165 0.051 5.524 1.00 51.43 H new ATOM 0 HD21 LEU A 87 -3.503 -0.645 3.642 1.00 3.10 H new ATOM 0 HD22 LEU A 87 -1.877 -0.197 3.073 1.00 3.10 H new ATOM 0 HD23 LEU A 87 -2.611 -1.732 2.551 1.00 3.10 H new ATOM 1381 N LYS A 88 1.553 -4.541 3.186 1.00 41.30 N ATOM 1382 CA LYS A 88 2.937 -4.924 2.931 1.00 53.55 C ATOM 1383 C LYS A 88 3.096 -5.478 1.518 1.00 10.24 C ATOM 1384 O LYS A 88 3.782 -4.888 0.683 1.00 75.10 O ATOM 1385 CB LYS A 88 3.397 -5.965 3.953 1.00 15.24 C ATOM 1386 CG LYS A 88 4.499 -5.469 4.873 1.00 41.42 C ATOM 1387 CD LYS A 88 5.389 -6.608 5.342 1.00 52.33 C ATOM 1388 CE LYS A 88 4.893 -7.199 6.652 1.00 33.22 C ATOM 1389 NZ LYS A 88 3.894 -8.281 6.429 1.00 15.35 N ATOM 0 H LYS A 88 1.047 -5.176 3.803 1.00 41.30 H new ATOM 0 HA LYS A 88 3.558 -4.033 3.026 1.00 53.55 H new ATOM 0 HB2 LYS A 88 2.543 -6.272 4.556 1.00 15.24 H new ATOM 0 HB3 LYS A 88 3.748 -6.851 3.424 1.00 15.24 H new ATOM 0 HG2 LYS A 88 5.102 -4.726 4.352 1.00 41.42 H new ATOM 0 HG3 LYS A 88 4.057 -4.972 5.737 1.00 41.42 H new ATOM 0 HD2 LYS A 88 5.419 -7.386 4.579 1.00 52.33 H new ATOM 0 HD3 LYS A 88 6.409 -6.246 5.468 1.00 52.33 H new ATOM 0 HE2 LYS A 88 5.738 -7.595 7.215 1.00 33.22 H new ATOM 0 HE3 LYS A 88 4.446 -6.412 7.260 1.00 33.22 H new ATOM 0 HZ1 LYS A 88 3.162 -8.235 7.166 1.00 15.35 H new ATOM 0 HZ2 LYS A 88 3.453 -8.160 5.495 1.00 15.35 H new ATOM 0 HZ3 LYS A 88 4.369 -9.206 6.470 1.00 15.35 H new ATOM 1403 N VAL A 89 2.457 -6.614 1.258 1.00 63.11 N ATOM 1404 CA VAL A 89 2.526 -7.246 -0.054 1.00 61.31 C ATOM 1405 C VAL A 89 2.187 -6.254 -1.161 1.00 30.22 C ATOM 1406 O VAL A 89 2.761 -6.301 -2.249 1.00 3.02 O ATOM 1407 CB VAL A 89 1.570 -8.450 -0.148 1.00 13.00 C ATOM 1408 CG1 VAL A 89 1.986 -9.540 0.828 1.00 71.34 C ATOM 1409 CG2 VAL A 89 0.136 -8.012 0.109 1.00 12.12 C ATOM 0 H VAL A 89 1.886 -7.115 1.938 1.00 63.11 H new ATOM 0 HA VAL A 89 3.551 -7.594 -0.184 1.00 61.31 H new ATOM 0 HB VAL A 89 1.626 -8.859 -1.157 1.00 13.00 H new ATOM 0 HG11 VAL A 89 1.299 -10.382 0.747 1.00 71.34 H new ATOM 0 HG12 VAL A 89 2.997 -9.873 0.593 1.00 71.34 H new ATOM 0 HG13 VAL A 89 1.961 -9.147 1.844 1.00 71.34 H new ATOM 0 HG21 VAL A 89 -0.526 -8.875 0.039 1.00 12.12 H new ATOM 0 HG22 VAL A 89 0.061 -7.578 1.106 1.00 12.12 H new ATOM 0 HG23 VAL A 89 -0.156 -7.269 -0.633 1.00 12.12 H new ATOM 1419 N PHE A 90 1.250 -5.356 -0.876 1.00 3.33 N ATOM 1420 CA PHE A 90 0.833 -4.351 -1.847 1.00 65.22 C ATOM 1421 C PHE A 90 1.867 -3.234 -1.952 1.00 4.22 C ATOM 1422 O PHE A 90 2.044 -2.634 -3.012 1.00 33.21 O ATOM 1423 CB PHE A 90 -0.527 -3.768 -1.458 1.00 64.11 C ATOM 1424 CG PHE A 90 -0.926 -2.578 -2.282 1.00 53.40 C ATOM 1425 CD1 PHE A 90 -0.784 -2.593 -3.660 1.00 45.31 C ATOM 1426 CD2 PHE A 90 -1.444 -1.443 -1.678 1.00 73.13 C ATOM 1427 CE1 PHE A 90 -1.151 -1.499 -4.421 1.00 43.04 C ATOM 1428 CE2 PHE A 90 -1.814 -0.347 -2.434 1.00 44.33 C ATOM 1429 CZ PHE A 90 -1.666 -0.374 -3.807 1.00 65.13 C ATOM 0 H PHE A 90 0.765 -5.304 0.020 1.00 3.33 H new ATOM 0 HA PHE A 90 0.748 -4.835 -2.820 1.00 65.22 H new ATOM 0 HB2 PHE A 90 -1.288 -4.542 -1.560 1.00 64.11 H new ATOM 0 HB3 PHE A 90 -0.503 -3.481 -0.407 1.00 64.11 H new ATOM 0 HD1 PHE A 90 -0.382 -3.470 -4.145 1.00 45.31 H new ATOM 0 HD2 PHE A 90 -1.560 -1.415 -0.605 1.00 73.13 H new ATOM 0 HE1 PHE A 90 -1.035 -1.524 -5.494 1.00 43.04 H new ATOM 0 HE2 PHE A 90 -2.219 0.530 -1.951 1.00 44.33 H new ATOM 0 HZ PHE A 90 -1.952 0.483 -4.399 1.00 65.13 H new ATOM 1439 N ALA A 91 2.548 -2.960 -0.844 1.00 13.34 N ATOM 1440 CA ALA A 91 3.565 -1.916 -0.810 1.00 33.10 C ATOM 1441 C ALA A 91 4.740 -2.266 -1.716 1.00 25.02 C ATOM 1442 O ALA A 91 5.115 -1.488 -2.593 1.00 55.41 O ATOM 1443 CB ALA A 91 4.044 -1.692 0.617 1.00 54.54 C ATOM 0 H ALA A 91 2.414 -3.447 0.042 1.00 13.34 H new ATOM 0 HA ALA A 91 3.117 -0.994 -1.180 1.00 33.10 H new ATOM 0 HB1 ALA A 91 4.803 -0.910 0.627 1.00 54.54 H new ATOM 0 HB2 ALA A 91 3.202 -1.389 1.240 1.00 54.54 H new ATOM 0 HB3 ALA A 91 4.470 -2.616 1.007 1.00 54.54 H new ATOM 1449 N VAL A 92 5.320 -3.442 -1.497 1.00 45.03 N ATOM 1450 CA VAL A 92 6.454 -3.895 -2.294 1.00 60.24 C ATOM 1451 C VAL A 92 6.027 -4.222 -3.721 1.00 1.10 C ATOM 1452 O VAL A 92 6.570 -3.679 -4.682 1.00 44.41 O ATOM 1453 CB VAL A 92 7.117 -5.138 -1.671 1.00 42.03 C ATOM 1454 CG1 VAL A 92 8.409 -5.476 -2.400 1.00 31.11 C ATOM 1455 CG2 VAL A 92 7.374 -4.917 -0.188 1.00 70.23 C ATOM 0 H VAL A 92 5.023 -4.098 -0.774 1.00 45.03 H new ATOM 0 HA VAL A 92 7.175 -3.078 -2.312 1.00 60.24 H new ATOM 0 HB VAL A 92 6.437 -5.983 -1.777 1.00 42.03 H new ATOM 0 HG11 VAL A 92 8.863 -6.357 -1.946 1.00 31.11 H new ATOM 0 HG12 VAL A 92 8.193 -5.679 -3.449 1.00 31.11 H new ATOM 0 HG13 VAL A 92 9.098 -4.635 -2.328 1.00 31.11 H new ATOM 0 HG21 VAL A 92 7.843 -5.805 0.236 1.00 70.23 H new ATOM 0 HG22 VAL A 92 8.035 -4.060 -0.057 1.00 70.23 H new ATOM 0 HG23 VAL A 92 6.429 -4.727 0.321 1.00 70.23 H new ATOM 1465 N ALA A 93 5.050 -5.113 -3.851 1.00 32.22 N ATOM 1466 CA ALA A 93 4.548 -5.511 -5.160 1.00 54.22 C ATOM 1467 C ALA A 93 3.937 -4.324 -5.897 1.00 53.14 C ATOM 1468 O ALA A 93 3.744 -4.367 -7.112 1.00 25.12 O ATOM 1469 CB ALA A 93 3.525 -6.628 -5.016 1.00 61.22 C ATOM 0 H ALA A 93 4.590 -5.573 -3.065 1.00 32.22 H new ATOM 0 HA ALA A 93 5.389 -5.877 -5.748 1.00 54.22 H new ATOM 0 HB1 ALA A 93 3.159 -6.915 -6.002 1.00 61.22 H new ATOM 0 HB2 ALA A 93 3.991 -7.489 -4.537 1.00 61.22 H new ATOM 0 HB3 ALA A 93 2.691 -6.281 -4.406 1.00 61.22 H new ATOM 1475 N GLY A 94 3.633 -3.264 -5.154 1.00 74.12 N ATOM 1476 CA GLY A 94 3.046 -2.081 -5.755 1.00 13.41 C ATOM 1477 C GLY A 94 4.080 -1.022 -6.081 1.00 3.24 C ATOM 1478 O GLY A 94 4.398 -0.792 -7.248 1.00 64.12 O ATOM 0 H GLY A 94 3.783 -3.204 -4.147 1.00 74.12 H new ATOM 0 HA2 GLY A 94 2.520 -2.364 -6.667 1.00 13.41 H new ATOM 0 HA3 GLY A 94 2.304 -1.662 -5.075 1.00 13.41 H new ATOM 1482 N LEU A 95 4.606 -0.373 -5.047 1.00 63.43 N ATOM 1483 CA LEU A 95 5.611 0.669 -5.229 1.00 34.01 C ATOM 1484 C LEU A 95 6.849 0.116 -5.926 1.00 43.13 C ATOM 1485 O LEU A 95 7.371 0.724 -6.862 1.00 62.42 O ATOM 1486 CB LEU A 95 5.998 1.272 -3.878 1.00 25.14 C ATOM 1487 CG LEU A 95 4.991 2.244 -3.262 1.00 62.04 C ATOM 1488 CD1 LEU A 95 4.670 3.367 -4.236 1.00 42.30 C ATOM 1489 CD2 LEU A 95 3.722 1.510 -2.855 1.00 30.10 C ATOM 0 H LEU A 95 4.353 -0.550 -4.075 1.00 63.43 H new ATOM 0 HA LEU A 95 5.181 1.448 -5.858 1.00 34.01 H new ATOM 0 HB2 LEU A 95 6.163 0.457 -3.173 1.00 25.14 H new ATOM 0 HB3 LEU A 95 6.949 1.791 -3.994 1.00 25.14 H new ATOM 0 HG LEU A 95 5.436 2.681 -2.368 1.00 62.04 H new ATOM 0 HD11 LEU A 95 3.952 4.049 -3.781 1.00 42.30 H new ATOM 0 HD12 LEU A 95 5.583 3.910 -4.479 1.00 42.30 H new ATOM 0 HD13 LEU A 95 4.244 2.947 -5.148 1.00 42.30 H new ATOM 0 HD21 LEU A 95 3.017 2.217 -2.419 1.00 30.10 H new ATOM 0 HD22 LEU A 95 3.273 1.045 -3.733 1.00 30.10 H new ATOM 0 HD23 LEU A 95 3.966 0.741 -2.122 1.00 30.10 H new ATOM 1501 N LEU A 96 7.314 -1.040 -5.466 1.00 61.24 N ATOM 1502 CA LEU A 96 8.491 -1.677 -6.047 1.00 72.35 C ATOM 1503 C LEU A 96 8.107 -2.543 -7.243 1.00 73.20 C ATOM 1504 O LEU A 96 8.965 -3.141 -7.890 1.00 43.12 O ATOM 1505 CB LEU A 96 9.206 -2.528 -4.996 1.00 42.32 C ATOM 1506 CG LEU A 96 10.595 -2.047 -4.576 1.00 5.20 C ATOM 1507 CD1 LEU A 96 11.540 -2.038 -5.767 1.00 65.25 C ATOM 1508 CD2 LEU A 96 10.514 -0.663 -3.948 1.00 34.11 C ATOM 0 H LEU A 96 6.894 -1.556 -4.692 1.00 61.24 H new ATOM 0 HA LEU A 96 9.165 -0.893 -6.391 1.00 72.35 H new ATOM 0 HB2 LEU A 96 8.576 -2.577 -4.108 1.00 42.32 H new ATOM 0 HB3 LEU A 96 9.296 -3.544 -5.380 1.00 42.32 H new ATOM 0 HG LEU A 96 10.987 -2.740 -3.832 1.00 5.20 H new ATOM 0 HD11 LEU A 96 12.524 -1.693 -5.448 1.00 65.25 H new ATOM 0 HD12 LEU A 96 11.623 -3.046 -6.173 1.00 65.25 H new ATOM 0 HD13 LEU A 96 11.152 -1.369 -6.535 1.00 65.25 H new ATOM 0 HD21 LEU A 96 11.512 -0.337 -3.655 1.00 34.11 H new ATOM 0 HD22 LEU A 96 10.100 0.041 -4.670 1.00 34.11 H new ATOM 0 HD23 LEU A 96 9.872 -0.700 -3.068 1.00 34.11 H new ATOM 1520 N ASN A 97 6.811 -2.604 -7.531 1.00 53.33 N ATOM 1521 CA ASN A 97 6.313 -3.395 -8.650 1.00 73.15 C ATOM 1522 C ASN A 97 6.846 -4.823 -8.587 1.00 34.25 C ATOM 1523 O ASN A 97 7.023 -5.477 -9.614 1.00 53.11 O ATOM 1524 CB ASN A 97 6.714 -2.748 -9.978 1.00 34.22 C ATOM 1525 CG ASN A 97 6.139 -1.354 -10.138 1.00 43.12 C ATOM 1526 OD1 ASN A 97 4.943 -1.138 -9.947 1.00 14.44 O ATOM 1527 ND2 ASN A 97 6.993 -0.400 -10.492 1.00 15.21 N ATOM 0 H ASN A 97 6.087 -2.115 -7.005 1.00 53.33 H new ATOM 0 HA ASN A 97 5.226 -3.428 -8.583 1.00 73.15 H new ATOM 0 HB2 ASN A 97 7.801 -2.699 -10.042 1.00 34.22 H new ATOM 0 HB3 ASN A 97 6.374 -3.375 -10.802 1.00 34.22 H new ATOM 0 HD21 ASN A 97 6.665 0.558 -10.616 1.00 15.21 H new ATOM 0 HD22 ASN A 97 7.977 -0.625 -10.640 1.00 15.21 H new ATOM 1534 N MET A 98 7.099 -5.301 -7.372 1.00 54.34 N ATOM 1535 CA MET A 98 7.609 -6.652 -7.174 1.00 64.23 C ATOM 1536 C MET A 98 6.558 -7.691 -7.550 1.00 33.45 C ATOM 1537 O MET A 98 5.371 -7.379 -7.655 1.00 60.41 O ATOM 1538 CB MET A 98 8.042 -6.849 -5.720 1.00 35.01 C ATOM 1539 CG MET A 98 9.536 -6.678 -5.502 1.00 21.24 C ATOM 1540 SD MET A 98 10.418 -8.251 -5.474 1.00 42.52 S ATOM 1541 CE MET A 98 11.663 -7.962 -6.729 1.00 62.12 C ATOM 0 H MET A 98 6.959 -4.772 -6.511 1.00 54.34 H new ATOM 0 HA MET A 98 8.474 -6.786 -7.824 1.00 64.23 H new ATOM 0 HB2 MET A 98 7.508 -6.137 -5.091 1.00 35.01 H new ATOM 0 HB3 MET A 98 7.747 -7.846 -5.394 1.00 35.01 H new ATOM 0 HG2 MET A 98 9.945 -6.050 -6.294 1.00 21.24 H new ATOM 0 HG3 MET A 98 9.704 -6.155 -4.561 1.00 21.24 H new ATOM 0 HE1 MET A 98 12.291 -8.848 -6.830 1.00 62.12 H new ATOM 0 HE2 MET A 98 11.177 -7.751 -7.682 1.00 62.12 H new ATOM 0 HE3 MET A 98 12.280 -7.111 -6.440 1.00 62.12 H new ATOM 1551 N THR A 99 7.000 -8.929 -7.751 1.00 0.14 N ATOM 1552 CA THR A 99 6.097 -10.013 -8.115 1.00 64.45 C ATOM 1553 C THR A 99 5.989 -11.040 -6.994 1.00 3.23 C ATOM 1554 O THR A 99 6.095 -12.244 -7.228 1.00 1.22 O ATOM 1555 CB THR A 99 6.562 -10.722 -9.402 1.00 21.44 C ATOM 1556 OG1 THR A 99 7.309 -9.814 -10.219 1.00 20.40 O ATOM 1557 CG2 THR A 99 5.373 -11.257 -10.185 1.00 15.31 C ATOM 0 H THR A 99 7.978 -9.205 -7.668 1.00 0.14 H new ATOM 0 HA THR A 99 5.119 -9.565 -8.288 1.00 64.45 H new ATOM 0 HB THR A 99 7.197 -11.561 -9.119 1.00 21.44 H new ATOM 0 HG1 THR A 99 7.602 -10.273 -11.034 1.00 20.40 H new ATOM 0 HG21 THR A 99 5.726 -11.753 -11.089 1.00 15.31 H new ATOM 0 HG22 THR A 99 4.824 -11.970 -9.570 1.00 15.31 H new ATOM 0 HG23 THR A 99 4.716 -10.431 -10.457 1.00 15.31 H new ATOM 1565 N VAL A 100 5.777 -10.556 -5.774 1.00 21.23 N ATOM 1566 CA VAL A 100 5.653 -11.432 -4.615 1.00 73.40 C ATOM 1567 C VAL A 100 4.252 -12.027 -4.524 1.00 30.41 C ATOM 1568 O VAL A 100 3.261 -11.301 -4.450 1.00 43.40 O ATOM 1569 CB VAL A 100 5.966 -10.681 -3.307 1.00 74.42 C ATOM 1570 CG1 VAL A 100 7.439 -10.310 -3.244 1.00 42.33 C ATOM 1571 CG2 VAL A 100 5.089 -9.444 -3.181 1.00 64.30 C ATOM 0 H VAL A 100 5.688 -9.562 -5.563 1.00 21.23 H new ATOM 0 HA VAL A 100 6.378 -12.235 -4.746 1.00 73.40 H new ATOM 0 HB VAL A 100 5.747 -11.341 -2.467 1.00 74.42 H new ATOM 0 HG11 VAL A 100 7.641 -9.780 -2.313 1.00 42.33 H new ATOM 0 HG12 VAL A 100 8.044 -11.216 -3.285 1.00 42.33 H new ATOM 0 HG13 VAL A 100 7.689 -9.668 -4.089 1.00 42.33 H new ATOM 0 HG21 VAL A 100 5.323 -8.925 -2.251 1.00 64.30 H new ATOM 0 HG22 VAL A 100 5.275 -8.779 -4.024 1.00 64.30 H new ATOM 0 HG23 VAL A 100 4.040 -9.741 -3.177 1.00 64.30 H new ATOM 1581 N SER A 101 4.177 -13.354 -4.529 1.00 62.51 N ATOM 1582 CA SER A 101 2.897 -14.048 -4.450 1.00 60.22 C ATOM 1583 C SER A 101 2.710 -14.689 -3.078 1.00 61.24 C ATOM 1584 O SER A 101 1.849 -15.550 -2.894 1.00 12.24 O ATOM 1585 CB SER A 101 2.804 -15.116 -5.542 1.00 33.23 C ATOM 1586 OG SER A 101 2.569 -14.530 -6.810 1.00 54.12 O ATOM 0 H SER A 101 4.988 -13.970 -4.587 1.00 62.51 H new ATOM 0 HA SER A 101 2.104 -13.315 -4.600 1.00 60.22 H new ATOM 0 HB2 SER A 101 3.728 -15.693 -5.570 1.00 33.23 H new ATOM 0 HB3 SER A 101 2.000 -15.813 -5.306 1.00 33.23 H new ATOM 0 HG SER A 101 1.748 -13.996 -6.777 1.00 54.12 H new ATOM 1592 N THR A 102 3.524 -14.263 -2.117 1.00 70.43 N ATOM 1593 CA THR A 102 3.451 -14.795 -0.762 1.00 74.23 C ATOM 1594 C THR A 102 3.792 -13.725 0.268 1.00 41.43 C ATOM 1595 O THR A 102 4.786 -13.012 0.130 1.00 53.21 O ATOM 1596 CB THR A 102 4.402 -15.992 -0.576 1.00 71.34 C ATOM 1597 OG1 THR A 102 5.759 -15.537 -0.531 1.00 71.42 O ATOM 1598 CG2 THR A 102 4.236 -16.996 -1.707 1.00 73.32 C ATOM 0 H THR A 102 4.242 -13.551 -2.252 1.00 70.43 H new ATOM 0 HA THR A 102 2.425 -15.129 -0.609 1.00 74.23 H new ATOM 0 HB THR A 102 4.152 -16.483 0.364 1.00 71.34 H new ATOM 0 HG1 THR A 102 6.357 -16.304 -0.411 1.00 71.42 H new ATOM 0 HG21 THR A 102 4.918 -17.832 -1.554 1.00 73.32 H new ATOM 0 HG22 THR A 102 3.210 -17.362 -1.721 1.00 73.32 H new ATOM 0 HG23 THR A 102 4.462 -16.513 -2.658 1.00 73.32 H new ATOM 1606 N ALA A 103 2.962 -13.618 1.300 1.00 5.45 N ATOM 1607 CA ALA A 103 3.179 -12.635 2.356 1.00 73.55 C ATOM 1608 C ALA A 103 4.597 -12.726 2.908 1.00 63.05 C ATOM 1609 O ALA A 103 5.170 -11.727 3.341 1.00 51.54 O ATOM 1610 CB ALA A 103 2.163 -12.828 3.472 1.00 53.53 C ATOM 0 H ALA A 103 2.134 -14.199 1.428 1.00 5.45 H new ATOM 0 HA ALA A 103 3.048 -11.642 1.927 1.00 73.55 H new ATOM 0 HB1 ALA A 103 2.336 -12.088 4.254 1.00 53.53 H new ATOM 0 HB2 ALA A 103 1.156 -12.705 3.073 1.00 53.53 H new ATOM 0 HB3 ALA A 103 2.268 -13.829 3.890 1.00 53.53 H new ATOM 1616 N ALA A 104 5.159 -13.931 2.890 1.00 55.45 N ATOM 1617 CA ALA A 104 6.511 -14.151 3.387 1.00 13.11 C ATOM 1618 C ALA A 104 7.540 -13.446 2.510 1.00 61.51 C ATOM 1619 O ALA A 104 8.481 -12.832 3.012 1.00 72.12 O ATOM 1620 CB ALA A 104 6.809 -15.641 3.462 1.00 44.11 C ATOM 0 H ALA A 104 4.698 -14.769 2.536 1.00 55.45 H new ATOM 0 HA ALA A 104 6.577 -13.728 4.389 1.00 13.11 H new ATOM 0 HB1 ALA A 104 7.822 -15.791 3.835 1.00 44.11 H new ATOM 0 HB2 ALA A 104 6.099 -16.120 4.136 1.00 44.11 H new ATOM 0 HB3 ALA A 104 6.719 -16.080 2.469 1.00 44.11 H new ATOM 1626 N ALA A 105 7.355 -13.541 1.197 1.00 4.51 N ATOM 1627 CA ALA A 105 8.268 -12.911 0.250 1.00 34.04 C ATOM 1628 C ALA A 105 8.221 -11.392 0.371 1.00 43.41 C ATOM 1629 O ALA A 105 9.245 -10.719 0.253 1.00 51.32 O ATOM 1630 CB ALA A 105 7.932 -13.340 -1.170 1.00 64.24 C ATOM 0 H ALA A 105 6.582 -14.048 0.765 1.00 4.51 H new ATOM 0 HA ALA A 105 9.281 -13.237 0.487 1.00 34.04 H new ATOM 0 HB1 ALA A 105 8.621 -12.863 -1.867 1.00 64.24 H new ATOM 0 HB2 ALA A 105 8.023 -14.423 -1.254 1.00 64.24 H new ATOM 0 HB3 ALA A 105 6.911 -13.042 -1.408 1.00 64.24 H new ATOM 1636 N ALA A 106 7.027 -10.857 0.606 1.00 63.41 N ATOM 1637 CA ALA A 106 6.848 -9.417 0.744 1.00 64.34 C ATOM 1638 C ALA A 106 7.630 -8.879 1.937 1.00 43.42 C ATOM 1639 O ALA A 106 8.425 -7.949 1.801 1.00 54.34 O ATOM 1640 CB ALA A 106 5.371 -9.080 0.882 1.00 3.12 C ATOM 0 H ALA A 106 6.169 -11.400 0.705 1.00 63.41 H new ATOM 0 HA ALA A 106 7.235 -8.939 -0.156 1.00 64.34 H new ATOM 0 HB1 ALA A 106 5.252 -8.001 0.984 1.00 3.12 H new ATOM 0 HB2 ALA A 106 4.836 -9.422 -0.004 1.00 3.12 H new ATOM 0 HB3 ALA A 106 4.966 -9.575 1.765 1.00 3.12 H new ATOM 1646 N GLU A 107 7.399 -9.469 3.105 1.00 10.34 N ATOM 1647 CA GLU A 107 8.082 -9.046 4.322 1.00 14.45 C ATOM 1648 C GLU A 107 9.585 -9.285 4.214 1.00 12.14 C ATOM 1649 O GLU A 107 10.387 -8.482 4.688 1.00 44.44 O ATOM 1650 CB GLU A 107 7.521 -9.793 5.534 1.00 11.23 C ATOM 1651 CG GLU A 107 8.156 -9.380 6.851 1.00 1.24 C ATOM 1652 CD GLU A 107 8.358 -10.550 7.794 1.00 20.30 C ATOM 1653 OE1 GLU A 107 7.383 -11.291 8.038 1.00 62.41 O ATOM 1654 OE2 GLU A 107 9.492 -10.725 8.288 1.00 51.14 O ATOM 0 H GLU A 107 6.745 -10.241 3.235 1.00 10.34 H new ATOM 0 HA GLU A 107 7.910 -7.977 4.452 1.00 14.45 H new ATOM 0 HB2 GLU A 107 6.446 -9.623 5.590 1.00 11.23 H new ATOM 0 HB3 GLU A 107 7.667 -10.864 5.390 1.00 11.23 H new ATOM 0 HG2 GLU A 107 9.118 -8.907 6.654 1.00 1.24 H new ATOM 0 HG3 GLU A 107 7.527 -8.633 7.335 1.00 1.24 H new ATOM 1661 N ASN A 108 9.958 -10.397 3.588 1.00 14.54 N ATOM 1662 CA ASN A 108 11.364 -10.743 3.419 1.00 70.32 C ATOM 1663 C ASN A 108 12.107 -9.647 2.661 1.00 30.03 C ATOM 1664 O ASN A 108 13.201 -9.241 3.052 1.00 40.11 O ATOM 1665 CB ASN A 108 11.497 -12.073 2.674 1.00 74.11 C ATOM 1666 CG ASN A 108 12.943 -12.467 2.447 1.00 24.02 C ATOM 1667 OD1 ASN A 108 13.444 -12.413 1.324 1.00 44.11 O ATOM 1668 ND2 ASN A 108 13.622 -12.866 3.516 1.00 22.44 N ATOM 0 H ASN A 108 9.306 -11.073 3.190 1.00 14.54 H new ATOM 0 HA ASN A 108 11.810 -10.842 4.409 1.00 70.32 H new ATOM 0 HB2 ASN A 108 10.995 -12.856 3.242 1.00 74.11 H new ATOM 0 HB3 ASN A 108 10.988 -12.000 1.713 1.00 74.11 H new ATOM 0 HD21 ASN A 108 14.599 -13.143 3.425 1.00 22.44 H new ATOM 0 HD22 ASN A 108 13.166 -12.895 4.428 1.00 22.44 H new ATOM 1675 N MET A 109 11.504 -9.172 1.576 1.00 21.22 N ATOM 1676 CA MET A 109 12.108 -8.122 0.765 1.00 52.51 C ATOM 1677 C MET A 109 11.971 -6.763 1.445 1.00 20.12 C ATOM 1678 O MET A 109 12.918 -5.977 1.480 1.00 24.41 O ATOM 1679 CB MET A 109 11.458 -8.079 -0.619 1.00 71.54 C ATOM 1680 CG MET A 109 12.457 -7.928 -1.755 1.00 74.43 C ATOM 1681 SD MET A 109 12.212 -6.411 -2.698 1.00 75.35 S ATOM 1682 CE MET A 109 12.991 -5.212 -1.620 1.00 33.43 C ATOM 0 H MET A 109 10.598 -9.498 1.239 1.00 21.22 H new ATOM 0 HA MET A 109 13.168 -8.349 0.654 1.00 52.51 H new ATOM 0 HB2 MET A 109 10.884 -8.993 -0.770 1.00 71.54 H new ATOM 0 HB3 MET A 109 10.752 -7.249 -0.654 1.00 71.54 H new ATOM 0 HG2 MET A 109 13.468 -7.939 -1.348 1.00 74.43 H new ATOM 0 HG3 MET A 109 12.373 -8.785 -2.424 1.00 74.43 H new ATOM 0 HE1 MET A 109 13.225 -4.311 -2.187 1.00 33.43 H new ATOM 0 HE2 MET A 109 12.313 -4.961 -0.804 1.00 33.43 H new ATOM 0 HE3 MET A 109 13.910 -5.633 -1.212 1.00 33.43 H new ATOM 1692 N TYR A 110 10.787 -6.493 1.984 1.00 43.00 N ATOM 1693 CA TYR A 110 10.526 -5.228 2.661 1.00 63.13 C ATOM 1694 C TYR A 110 11.484 -5.029 3.832 1.00 71.04 C ATOM 1695 O TYR A 110 11.869 -3.904 4.149 1.00 42.34 O ATOM 1696 CB TYR A 110 9.080 -5.180 3.156 1.00 0.33 C ATOM 1697 CG TYR A 110 8.545 -3.776 3.328 1.00 43.24 C ATOM 1698 CD1 TYR A 110 8.491 -2.896 2.254 1.00 43.21 C ATOM 1699 CD2 TYR A 110 8.093 -3.330 4.564 1.00 41.25 C ATOM 1700 CE1 TYR A 110 8.004 -1.612 2.406 1.00 23.13 C ATOM 1701 CE2 TYR A 110 7.603 -2.048 4.725 1.00 61.31 C ATOM 1702 CZ TYR A 110 7.561 -1.193 3.643 1.00 22.15 C ATOM 1703 OH TYR A 110 7.074 0.084 3.799 1.00 0.40 O ATOM 0 H TYR A 110 9.993 -7.133 1.965 1.00 43.00 H new ATOM 0 HA TYR A 110 10.685 -4.422 1.945 1.00 63.13 H new ATOM 0 HB2 TYR A 110 8.446 -5.718 2.451 1.00 0.33 H new ATOM 0 HB3 TYR A 110 9.014 -5.704 4.109 1.00 0.33 H new ATOM 0 HD1 TYR A 110 8.836 -3.221 1.284 1.00 43.21 H new ATOM 0 HD2 TYR A 110 8.125 -3.997 5.413 1.00 41.25 H new ATOM 0 HE1 TYR A 110 7.970 -0.940 1.561 1.00 23.13 H new ATOM 0 HE2 TYR A 110 7.255 -1.717 5.692 1.00 61.31 H new ATOM 0 HH TYR A 110 6.283 0.064 4.378 1.00 0.40 H new ATOM 1713 N SER A 111 11.864 -6.131 4.470 1.00 5.12 N ATOM 1714 CA SER A 111 12.775 -6.079 5.608 1.00 14.04 C ATOM 1715 C SER A 111 14.226 -6.026 5.141 1.00 0.43 C ATOM 1716 O SER A 111 15.007 -5.195 5.604 1.00 42.11 O ATOM 1717 CB SER A 111 12.563 -7.294 6.514 1.00 54.13 C ATOM 1718 OG SER A 111 13.004 -8.483 5.883 1.00 70.44 O ATOM 0 H SER A 111 11.556 -7.070 4.219 1.00 5.12 H new ATOM 0 HA SER A 111 12.560 -5.172 6.172 1.00 14.04 H new ATOM 0 HB2 SER A 111 13.104 -7.153 7.450 1.00 54.13 H new ATOM 0 HB3 SER A 111 11.507 -7.383 6.767 1.00 54.13 H new ATOM 0 HG SER A 111 12.295 -8.826 5.300 1.00 70.44 H new ATOM 1724 N GLN A 112 14.578 -6.918 4.222 1.00 63.41 N ATOM 1725 CA GLN A 112 15.936 -6.974 3.692 1.00 12.14 C ATOM 1726 C GLN A 112 16.355 -5.621 3.127 1.00 62.11 C ATOM 1727 O GLN A 112 17.531 -5.259 3.165 1.00 71.43 O ATOM 1728 CB GLN A 112 16.039 -8.048 2.608 1.00 42.42 C ATOM 1729 CG GLN A 112 17.469 -8.454 2.288 1.00 12.31 C ATOM 1730 CD GLN A 112 18.151 -9.150 3.449 1.00 43.20 C ATOM 1731 OE1 GLN A 112 18.983 -8.560 4.140 1.00 53.14 O ATOM 1732 NE2 GLN A 112 17.803 -10.412 3.670 1.00 12.15 N ATOM 0 H GLN A 112 13.943 -7.612 3.828 1.00 63.41 H new ATOM 0 HA GLN A 112 16.609 -7.229 4.510 1.00 12.14 H new ATOM 0 HB2 GLN A 112 15.483 -8.929 2.927 1.00 42.42 H new ATOM 0 HB3 GLN A 112 15.562 -7.682 1.699 1.00 42.42 H new ATOM 0 HG2 GLN A 112 17.470 -9.115 1.422 1.00 12.31 H new ATOM 0 HG3 GLN A 112 18.041 -7.568 2.013 1.00 12.31 H new ATOM 0 HE21 GLN A 112 17.109 -10.862 3.073 1.00 12.15 H new ATOM 0 HE22 GLN A 112 18.229 -10.932 4.437 1.00 12.15 H new ATOM 1741 N MET A 113 15.386 -4.878 2.603 1.00 70.13 N ATOM 1742 CA MET A 113 15.655 -3.564 2.030 1.00 64.41 C ATOM 1743 C MET A 113 15.839 -2.520 3.127 1.00 70.33 C ATOM 1744 O MET A 113 16.546 -1.530 2.943 1.00 71.42 O ATOM 1745 CB MET A 113 14.516 -3.147 1.098 1.00 21.20 C ATOM 1746 CG MET A 113 14.990 -2.459 -0.172 1.00 25.23 C ATOM 1747 SD MET A 113 15.255 -0.690 0.054 1.00 21.12 S ATOM 1748 CE MET A 113 16.845 -0.481 -0.745 1.00 15.23 C ATOM 0 H MET A 113 14.407 -5.163 2.563 1.00 70.13 H new ATOM 0 HA MET A 113 16.579 -3.628 1.455 1.00 64.41 H new ATOM 0 HB2 MET A 113 13.937 -4.030 0.828 1.00 21.20 H new ATOM 0 HB3 MET A 113 13.845 -2.477 1.635 1.00 21.20 H new ATOM 0 HG2 MET A 113 15.919 -2.922 -0.506 1.00 25.23 H new ATOM 0 HG3 MET A 113 14.254 -2.614 -0.961 1.00 25.23 H new ATOM 0 HE1 MET A 113 17.146 0.565 -0.688 1.00 15.23 H new ATOM 0 HE2 MET A 113 17.588 -1.101 -0.244 1.00 15.23 H new ATOM 0 HE3 MET A 113 16.769 -0.780 -1.790 1.00 15.23 H new ATOM 1758 N GLY A 114 15.197 -2.749 4.269 1.00 51.54 N ATOM 1759 CA GLY A 114 15.302 -1.818 5.378 1.00 63.54 C ATOM 1760 C GLY A 114 14.065 -0.957 5.532 1.00 75.24 C ATOM 1761 O GLY A 114 14.143 0.175 6.010 1.00 55.32 O ATOM 0 H GLY A 114 14.607 -3.562 4.446 1.00 51.54 H new ATOM 0 HA2 GLY A 114 15.471 -2.374 6.300 1.00 63.54 H new ATOM 0 HA3 GLY A 114 16.171 -1.177 5.229 1.00 63.54 H new