USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 64 THR OG1 : rot -46:sc= 1.13 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0.536 USER MOD Set 3.2: A 30 SER OG : rot 36:sc= 1.56 USER MOD Single : A 4 THR OG1 : rot 35:sc= 0.136 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -121:sc= -6.64! (180deg=-16.1!) USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= 0.0795 (180deg=-0.563) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.483 (180deg=-0.61) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0321) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.0715 (180deg=-0.406) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 49:sc= -0.297 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -109:sc= -3.3! (180deg=-5.64!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 150:sc= -0.349 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 0.537 -4.835 -6.611 1.00 42.30 N ATOM 44 CA THR A 4 0.497 -5.038 -8.054 1.00 2.43 C ATOM 45 C THR A 4 0.102 -3.756 -8.778 1.00 72.24 C ATOM 46 O THR A 4 -1.080 -3.502 -9.010 1.00 74.20 O ATOM 47 CB THR A 4 -0.490 -6.156 -8.436 1.00 75.04 C ATOM 48 OG1 THR A 4 -0.177 -7.354 -7.718 1.00 4.04 O ATOM 49 CG2 THR A 4 -0.445 -6.429 -9.932 1.00 70.52 C ATOM 0 HA THR A 4 1.501 -5.330 -8.361 1.00 2.43 H new ATOM 0 HB THR A 4 -1.495 -5.828 -8.172 1.00 75.04 H new ATOM 0 HG1 THR A 4 0.144 -7.123 -6.821 1.00 4.04 H new ATOM 0 HG21 THR A 4 -1.151 -7.222 -10.178 1.00 70.52 H new ATOM 0 HG22 THR A 4 -0.713 -5.523 -10.475 1.00 70.52 H new ATOM 0 HG23 THR A 4 0.561 -6.737 -10.215 1.00 70.52 H new ATOM 57 N ASP A 5 1.098 -2.952 -9.135 1.00 34.34 N ATOM 58 CA ASP A 5 0.854 -1.697 -9.835 1.00 55.14 C ATOM 59 C ASP A 5 1.841 -1.515 -10.984 1.00 52.01 C ATOM 60 O ASP A 5 1.445 -1.294 -12.129 1.00 34.23 O ATOM 61 CB ASP A 5 0.957 -0.519 -8.866 1.00 1.50 C ATOM 62 CG ASP A 5 0.662 0.809 -9.535 1.00 55.41 C ATOM 63 OD1 ASP A 5 -0.121 0.823 -10.508 1.00 73.54 O ATOM 64 OD2 ASP A 5 1.212 1.836 -9.085 1.00 63.41 O ATOM 0 H ASP A 5 2.082 -3.148 -8.951 1.00 34.34 H new ATOM 0 HA ASP A 5 -0.154 -1.730 -10.248 1.00 55.14 H new ATOM 0 HB2 ASP A 5 0.261 -0.669 -8.041 1.00 1.50 H new ATOM 0 HB3 ASP A 5 1.959 -0.492 -8.437 1.00 1.50 H new ATOM 69 N LYS A 6 3.129 -1.608 -10.671 1.00 13.01 N ATOM 70 CA LYS A 6 4.174 -1.454 -11.676 1.00 30.14 C ATOM 71 C LYS A 6 3.983 -2.448 -12.816 1.00 72.44 C ATOM 72 O LYS A 6 4.422 -2.208 -13.941 1.00 64.43 O ATOM 73 CB LYS A 6 5.553 -1.649 -11.041 1.00 12.12 C ATOM 74 CG LYS A 6 6.549 -0.562 -11.405 1.00 1.31 C ATOM 75 CD LYS A 6 7.281 -0.886 -12.696 1.00 42.03 C ATOM 76 CE LYS A 6 8.597 -0.129 -12.797 1.00 15.25 C ATOM 77 NZ LYS A 6 9.121 -0.111 -14.190 1.00 42.41 N ATOM 0 H LYS A 6 3.474 -1.789 -9.729 1.00 13.01 H new ATOM 0 HA LYS A 6 4.107 -0.445 -12.082 1.00 30.14 H new ATOM 0 HB2 LYS A 6 5.443 -1.681 -9.957 1.00 12.12 H new ATOM 0 HB3 LYS A 6 5.953 -2.615 -11.350 1.00 12.12 H new ATOM 0 HG2 LYS A 6 6.028 0.390 -11.510 1.00 1.31 H new ATOM 0 HG3 LYS A 6 7.270 -0.443 -10.597 1.00 1.31 H new ATOM 0 HD2 LYS A 6 7.472 -1.958 -12.748 1.00 42.03 H new ATOM 0 HD3 LYS A 6 6.649 -0.633 -13.547 1.00 42.03 H new ATOM 0 HE2 LYS A 6 8.455 0.894 -12.449 1.00 15.25 H new ATOM 0 HE3 LYS A 6 9.333 -0.590 -12.138 1.00 15.25 H new ATOM 0 HZ1 LYS A 6 10.018 0.414 -14.217 1.00 42.41 H new ATOM 0 HZ2 LYS A 6 9.281 -1.086 -14.513 1.00 42.41 H new ATOM 0 HZ3 LYS A 6 8.430 0.352 -14.815 1.00 42.41 H new ATOM 91 N ILE A 7 3.324 -3.563 -12.519 1.00 70.32 N ATOM 92 CA ILE A 7 3.073 -4.592 -13.521 1.00 51.20 C ATOM 93 C ILE A 7 2.237 -4.045 -14.673 1.00 14.21 C ATOM 94 O ILE A 7 2.383 -4.474 -15.817 1.00 34.13 O ATOM 95 CB ILE A 7 2.352 -5.808 -12.911 1.00 21.34 C ATOM 96 CG1 ILE A 7 3.114 -6.318 -11.685 1.00 54.22 C ATOM 97 CG2 ILE A 7 2.206 -6.912 -13.947 1.00 61.41 C ATOM 98 CD1 ILE A 7 2.457 -7.505 -11.017 1.00 22.34 C ATOM 0 H ILE A 7 2.954 -3.777 -11.593 1.00 70.32 H new ATOM 0 HA ILE A 7 4.045 -4.908 -13.899 1.00 51.20 H new ATOM 0 HB ILE A 7 1.356 -5.500 -12.594 1.00 21.34 H new ATOM 0 HG12 ILE A 7 4.125 -6.593 -11.984 1.00 54.22 H new ATOM 0 HG13 ILE A 7 3.205 -5.508 -10.961 1.00 54.22 H new ATOM 0 HG21 ILE A 7 1.694 -7.765 -13.500 1.00 61.41 H new ATOM 0 HG22 ILE A 7 1.626 -6.543 -14.793 1.00 61.41 H new ATOM 0 HG23 ILE A 7 3.193 -7.221 -14.291 1.00 61.41 H new ATOM 0 HD11 ILE A 7 3.051 -7.813 -10.156 1.00 22.34 H new ATOM 0 HD12 ILE A 7 1.456 -7.228 -10.687 1.00 22.34 H new ATOM 0 HD13 ILE A 7 2.390 -8.330 -11.726 1.00 22.34 H new ATOM 110 N GLU A 8 1.362 -3.094 -14.362 1.00 55.40 N ATOM 111 CA GLU A 8 0.503 -2.487 -15.372 1.00 74.13 C ATOM 112 C GLU A 8 1.334 -1.859 -16.487 1.00 52.31 C ATOM 113 O GLU A 8 0.972 -1.933 -17.661 1.00 43.31 O ATOM 114 CB GLU A 8 -0.401 -1.429 -14.737 1.00 12.44 C ATOM 115 CG GLU A 8 -1.491 -0.921 -15.666 1.00 30.12 C ATOM 116 CD GLU A 8 -2.131 0.361 -15.169 1.00 63.13 C ATOM 117 OE1 GLU A 8 -1.486 1.425 -15.273 1.00 50.21 O ATOM 118 OE2 GLU A 8 -3.277 0.299 -14.677 1.00 41.30 O ATOM 0 H GLU A 8 1.229 -2.727 -13.419 1.00 55.40 H new ATOM 0 HA GLU A 8 -0.118 -3.273 -15.803 1.00 74.13 H new ATOM 0 HB2 GLU A 8 -0.863 -1.848 -13.843 1.00 12.44 H new ATOM 0 HB3 GLU A 8 0.211 -0.587 -14.414 1.00 12.44 H new ATOM 0 HG2 GLU A 8 -1.069 -0.752 -16.657 1.00 30.12 H new ATOM 0 HG3 GLU A 8 -2.258 -1.688 -15.773 1.00 30.12 H new ATOM 125 N GLN A 9 2.448 -1.241 -16.110 1.00 3.53 N ATOM 126 CA GLN A 9 3.330 -0.598 -17.077 1.00 61.21 C ATOM 127 C GLN A 9 4.414 -1.562 -17.549 1.00 41.42 C ATOM 128 O GLN A 9 4.912 -1.452 -18.670 1.00 5.34 O ATOM 129 CB GLN A 9 3.971 0.649 -16.465 1.00 73.04 C ATOM 130 CG GLN A 9 3.120 1.901 -16.606 1.00 30.02 C ATOM 131 CD GLN A 9 3.952 3.165 -16.697 1.00 62.20 C ATOM 132 OE1 GLN A 9 4.349 3.583 -17.785 1.00 2.31 O ATOM 133 NE2 GLN A 9 4.221 3.781 -15.552 1.00 21.22 N ATOM 0 H GLN A 9 2.762 -1.172 -15.142 1.00 3.53 H new ATOM 0 HA GLN A 9 2.730 -0.303 -17.938 1.00 61.21 H new ATOM 0 HB2 GLN A 9 4.163 0.467 -15.408 1.00 73.04 H new ATOM 0 HB3 GLN A 9 4.937 0.821 -16.939 1.00 73.04 H new ATOM 0 HG2 GLN A 9 2.498 1.815 -17.497 1.00 30.02 H new ATOM 0 HG3 GLN A 9 2.445 1.975 -15.753 1.00 30.02 H new ATOM 0 HE21 GLN A 9 3.872 3.399 -14.673 1.00 21.22 H new ATOM 0 HE22 GLN A 9 4.777 4.636 -15.551 1.00 21.22 H new ATOM 142 N LYS A 10 4.776 -2.506 -16.687 1.00 55.12 N ATOM 143 CA LYS A 10 5.800 -3.490 -17.015 1.00 60.22 C ATOM 144 C LYS A 10 5.342 -4.392 -18.157 1.00 64.11 C ATOM 145 O LYS A 10 6.154 -5.063 -18.795 1.00 50.54 O ATOM 146 CB LYS A 10 6.135 -4.337 -15.785 1.00 61.13 C ATOM 147 CG LYS A 10 7.610 -4.682 -15.668 1.00 34.32 C ATOM 148 CD LYS A 10 7.863 -5.671 -14.542 1.00 52.01 C ATOM 149 CE LYS A 10 7.457 -5.096 -13.194 1.00 33.33 C ATOM 150 NZ LYS A 10 7.811 -6.010 -12.072 1.00 43.41 N ATOM 0 H LYS A 10 4.375 -2.610 -15.755 1.00 55.12 H new ATOM 0 HA LYS A 10 6.694 -2.955 -17.334 1.00 60.22 H new ATOM 0 HB2 LYS A 10 5.824 -3.800 -14.889 1.00 61.13 H new ATOM 0 HB3 LYS A 10 5.556 -5.260 -15.821 1.00 61.13 H new ATOM 0 HG2 LYS A 10 7.962 -5.103 -16.610 1.00 34.32 H new ATOM 0 HG3 LYS A 10 8.185 -3.773 -15.491 1.00 34.32 H new ATOM 0 HD2 LYS A 10 7.306 -6.589 -14.730 1.00 52.01 H new ATOM 0 HD3 LYS A 10 8.920 -5.938 -14.522 1.00 52.01 H new ATOM 0 HE2 LYS A 10 7.947 -4.134 -13.047 1.00 33.33 H new ATOM 0 HE3 LYS A 10 6.383 -4.911 -13.187 1.00 33.33 H new ATOM 0 HZ1 LYS A 10 7.518 -5.582 -11.170 1.00 43.41 H new ATOM 0 HZ2 LYS A 10 7.323 -6.920 -12.198 1.00 43.41 H new ATOM 0 HZ3 LYS A 10 8.839 -6.167 -12.063 1.00 43.41 H new ATOM 164 N VAL A 11 4.038 -4.403 -18.410 1.00 55.44 N ATOM 165 CA VAL A 11 3.472 -5.220 -19.477 1.00 65.03 C ATOM 166 C VAL A 11 4.201 -4.984 -20.795 1.00 41.54 C ATOM 167 O VAL A 11 4.295 -5.880 -21.634 1.00 74.31 O ATOM 168 CB VAL A 11 1.973 -4.929 -19.673 1.00 53.11 C ATOM 169 CG1 VAL A 11 1.768 -3.520 -20.209 1.00 75.20 C ATOM 170 CG2 VAL A 11 1.348 -5.958 -20.603 1.00 35.25 C ATOM 0 H VAL A 11 3.353 -3.855 -17.890 1.00 55.44 H new ATOM 0 HA VAL A 11 3.596 -6.261 -19.178 1.00 65.03 H new ATOM 0 HB VAL A 11 1.477 -4.999 -18.705 1.00 53.11 H new ATOM 0 HG11 VAL A 11 0.702 -3.332 -20.341 1.00 75.20 H new ATOM 0 HG12 VAL A 11 2.179 -2.799 -19.502 1.00 75.20 H new ATOM 0 HG13 VAL A 11 2.276 -3.418 -21.168 1.00 75.20 H new ATOM 0 HG21 VAL A 11 0.288 -5.737 -20.730 1.00 35.25 H new ATOM 0 HG22 VAL A 11 1.845 -5.922 -21.572 1.00 35.25 H new ATOM 0 HG23 VAL A 11 1.462 -6.953 -20.174 1.00 35.25 H new ATOM 180 N ILE A 12 4.716 -3.771 -20.971 1.00 61.31 N ATOM 181 CA ILE A 12 5.438 -3.417 -22.187 1.00 22.51 C ATOM 182 C ILE A 12 6.722 -4.229 -22.319 1.00 63.14 C ATOM 183 O ILE A 12 7.092 -4.648 -23.416 1.00 24.14 O ATOM 184 CB ILE A 12 5.787 -1.918 -22.218 1.00 55.44 C ATOM 185 CG1 ILE A 12 6.530 -1.572 -23.510 1.00 3.40 C ATOM 186 CG2 ILE A 12 6.621 -1.542 -21.003 1.00 62.12 C ATOM 187 CD1 ILE A 12 7.056 -0.154 -23.543 1.00 5.21 C ATOM 0 H ILE A 12 4.647 -3.017 -20.287 1.00 61.31 H new ATOM 0 HA ILE A 12 4.778 -3.645 -23.024 1.00 22.51 H new ATOM 0 HB ILE A 12 4.861 -1.344 -22.189 1.00 55.44 H new ATOM 0 HG12 ILE A 12 7.363 -2.263 -23.637 1.00 3.40 H new ATOM 0 HG13 ILE A 12 5.860 -1.722 -24.356 1.00 3.40 H new ATOM 0 HG21 ILE A 12 6.859 -0.479 -21.040 1.00 62.12 H new ATOM 0 HG22 ILE A 12 6.058 -1.756 -20.095 1.00 62.12 H new ATOM 0 HG23 ILE A 12 7.544 -2.121 -21.002 1.00 62.12 H new ATOM 0 HD11 ILE A 12 7.571 0.021 -24.487 1.00 5.21 H new ATOM 0 HD12 ILE A 12 6.225 0.545 -23.448 1.00 5.21 H new ATOM 0 HD13 ILE A 12 7.752 -0.005 -22.717 1.00 5.21 H new ATOM 199 N GLU A 13 7.396 -4.448 -21.195 1.00 24.13 N ATOM 200 CA GLU A 13 8.639 -5.211 -21.186 1.00 1.11 C ATOM 201 C GLU A 13 8.364 -6.701 -21.363 1.00 72.35 C ATOM 202 O GLU A 13 9.235 -7.457 -21.793 1.00 72.12 O ATOM 203 CB GLU A 13 9.400 -4.974 -19.880 1.00 11.33 C ATOM 204 CG GLU A 13 10.856 -5.405 -19.936 1.00 73.13 C ATOM 205 CD GLU A 13 11.617 -4.742 -21.068 1.00 30.32 C ATOM 206 OE1 GLU A 13 11.932 -3.540 -20.948 1.00 15.12 O ATOM 207 OE2 GLU A 13 11.898 -5.427 -22.074 1.00 24.03 O ATOM 0 H GLU A 13 7.103 -4.108 -20.279 1.00 24.13 H new ATOM 0 HA GLU A 13 9.250 -4.870 -22.021 1.00 1.11 H new ATOM 0 HB2 GLU A 13 9.353 -3.914 -19.629 1.00 11.33 H new ATOM 0 HB3 GLU A 13 8.901 -5.514 -19.076 1.00 11.33 H new ATOM 0 HG2 GLU A 13 11.339 -5.165 -18.989 1.00 73.13 H new ATOM 0 HG3 GLU A 13 10.906 -6.487 -20.054 1.00 73.13 H new ATOM 214 N MET A 14 7.146 -7.116 -21.029 1.00 24.22 N ATOM 215 CA MET A 14 6.756 -8.516 -21.152 1.00 13.22 C ATOM 216 C MET A 14 6.370 -8.848 -22.590 1.00 31.34 C ATOM 217 O MET A 14 7.003 -9.684 -23.235 1.00 52.23 O ATOM 218 CB MET A 14 5.588 -8.826 -20.213 1.00 51.24 C ATOM 219 CG MET A 14 5.232 -10.302 -20.153 1.00 60.54 C ATOM 220 SD MET A 14 6.309 -11.232 -19.046 1.00 64.10 S ATOM 221 CE MET A 14 7.342 -12.098 -20.226 1.00 40.31 C ATOM 0 H MET A 14 6.413 -6.503 -20.671 1.00 24.22 H new ATOM 0 HA MET A 14 7.611 -9.132 -20.873 1.00 13.22 H new ATOM 0 HB2 MET A 14 5.837 -8.480 -19.210 1.00 51.24 H new ATOM 0 HB3 MET A 14 4.713 -8.262 -20.537 1.00 51.24 H new ATOM 0 HG2 MET A 14 4.199 -10.409 -19.823 1.00 60.54 H new ATOM 0 HG3 MET A 14 5.293 -10.727 -21.155 1.00 60.54 H new ATOM 0 HE1 MET A 14 7.244 -13.173 -20.075 1.00 40.31 H new ATOM 0 HE2 MET A 14 7.030 -11.843 -21.239 1.00 40.31 H new ATOM 0 HE3 MET A 14 8.382 -11.805 -20.083 1.00 40.31 H new ATOM 231 N VAL A 15 5.327 -8.189 -23.086 1.00 25.25 N ATOM 232 CA VAL A 15 4.858 -8.414 -24.447 1.00 60.54 C ATOM 233 C VAL A 15 5.974 -8.179 -25.459 1.00 53.23 C ATOM 234 O VAL A 15 5.947 -8.719 -26.564 1.00 65.35 O ATOM 235 CB VAL A 15 3.668 -7.499 -24.789 1.00 53.35 C ATOM 236 CG1 VAL A 15 3.184 -7.760 -26.208 1.00 15.54 C ATOM 237 CG2 VAL A 15 2.540 -7.695 -23.788 1.00 30.04 C ATOM 0 H VAL A 15 4.791 -7.495 -22.565 1.00 25.25 H new ATOM 0 HA VAL A 15 4.535 -9.453 -24.503 1.00 60.54 H new ATOM 0 HB VAL A 15 4.000 -6.463 -24.729 1.00 53.35 H new ATOM 0 HG11 VAL A 15 2.343 -7.104 -26.432 1.00 15.54 H new ATOM 0 HG12 VAL A 15 3.994 -7.564 -26.911 1.00 15.54 H new ATOM 0 HG13 VAL A 15 2.868 -8.799 -26.299 1.00 15.54 H new ATOM 0 HG21 VAL A 15 1.707 -7.040 -24.045 1.00 30.04 H new ATOM 0 HG22 VAL A 15 2.207 -8.733 -23.814 1.00 30.04 H new ATOM 0 HG23 VAL A 15 2.896 -7.453 -22.787 1.00 30.04 H new ATOM 247 N ALA A 16 6.954 -7.368 -25.073 1.00 74.33 N ATOM 248 CA ALA A 16 8.081 -7.063 -25.946 1.00 14.32 C ATOM 249 C ALA A 16 9.059 -8.231 -26.008 1.00 41.40 C ATOM 250 O ALA A 16 9.818 -8.365 -26.967 1.00 4.21 O ATOM 251 CB ALA A 16 8.789 -5.803 -25.471 1.00 41.30 C ATOM 0 H ALA A 16 6.990 -6.911 -24.162 1.00 74.33 H new ATOM 0 HA ALA A 16 7.695 -6.893 -26.951 1.00 14.32 H new ATOM 0 HB1 ALA A 16 9.629 -5.586 -26.132 1.00 41.30 H new ATOM 0 HB2 ALA A 16 8.091 -4.966 -25.485 1.00 41.30 H new ATOM 0 HB3 ALA A 16 9.156 -5.953 -24.455 1.00 41.30 H new ATOM 257 N GLU A 17 9.035 -9.072 -24.979 1.00 65.01 N ATOM 258 CA GLU A 17 9.923 -10.228 -24.918 1.00 14.33 C ATOM 259 C GLU A 17 9.164 -11.514 -25.233 1.00 14.55 C ATOM 260 O GLU A 17 9.764 -12.543 -25.541 1.00 61.14 O ATOM 261 CB GLU A 17 10.569 -10.330 -23.535 1.00 11.45 C ATOM 262 CG GLU A 17 11.981 -10.889 -23.562 1.00 44.34 C ATOM 263 CD GLU A 17 12.975 -9.933 -24.195 1.00 33.43 C ATOM 264 OE1 GLU A 17 12.943 -8.733 -23.851 1.00 43.15 O ATOM 265 OE2 GLU A 17 13.783 -10.385 -25.032 1.00 72.45 O ATOM 0 H GLU A 17 8.412 -8.975 -24.177 1.00 65.01 H new ATOM 0 HA GLU A 17 10.704 -10.094 -25.667 1.00 14.33 H new ATOM 0 HB2 GLU A 17 10.588 -9.340 -23.078 1.00 11.45 H new ATOM 0 HB3 GLU A 17 9.949 -10.963 -22.900 1.00 11.45 H new ATOM 0 HG2 GLU A 17 12.298 -11.115 -22.544 1.00 44.34 H new ATOM 0 HG3 GLU A 17 11.985 -11.829 -24.113 1.00 44.34 H new ATOM 272 N LYS A 18 7.839 -11.447 -25.151 1.00 41.44 N ATOM 273 CA LYS A 18 6.996 -12.604 -25.428 1.00 13.52 C ATOM 274 C LYS A 18 7.040 -12.968 -26.908 1.00 63.12 C ATOM 275 O LYS A 18 7.400 -14.089 -27.272 1.00 2.34 O ATOM 276 CB LYS A 18 5.552 -12.321 -25.004 1.00 65.13 C ATOM 277 CG LYS A 18 4.625 -13.512 -25.172 1.00 62.43 C ATOM 278 CD LYS A 18 3.806 -13.406 -26.448 1.00 1.14 C ATOM 279 CE LYS A 18 3.307 -14.768 -26.905 1.00 31.13 C ATOM 280 NZ LYS A 18 1.909 -14.705 -27.413 1.00 15.53 N ATOM 0 H LYS A 18 7.326 -10.603 -24.895 1.00 41.44 H new ATOM 0 HA LYS A 18 7.379 -13.447 -24.853 1.00 13.52 H new ATOM 0 HB2 LYS A 18 5.543 -12.009 -23.960 1.00 65.13 H new ATOM 0 HB3 LYS A 18 5.167 -11.486 -25.590 1.00 65.13 H new ATOM 0 HG2 LYS A 18 5.211 -14.431 -25.190 1.00 62.43 H new ATOM 0 HG3 LYS A 18 3.956 -13.578 -24.314 1.00 62.43 H new ATOM 0 HD2 LYS A 18 2.957 -12.743 -26.282 1.00 1.14 H new ATOM 0 HD3 LYS A 18 4.412 -12.957 -27.235 1.00 1.14 H new ATOM 0 HE2 LYS A 18 3.961 -15.150 -27.689 1.00 31.13 H new ATOM 0 HE3 LYS A 18 3.360 -15.472 -26.074 1.00 31.13 H new ATOM 0 HZ1 LYS A 18 1.746 -15.487 -28.079 1.00 15.53 H new ATOM 0 HZ2 LYS A 18 1.246 -14.785 -26.616 1.00 15.53 H new ATOM 0 HZ3 LYS A 18 1.757 -13.798 -27.900 1.00 15.53 H new ATOM 294 N LEU A 19 6.674 -12.016 -27.759 1.00 11.54 N ATOM 295 CA LEU A 19 6.674 -12.236 -29.201 1.00 14.04 C ATOM 296 C LEU A 19 7.684 -11.325 -29.891 1.00 21.41 C ATOM 297 O LEU A 19 7.589 -11.074 -31.091 1.00 62.24 O ATOM 298 CB LEU A 19 5.276 -11.993 -29.773 1.00 42.33 C ATOM 299 CG LEU A 19 4.783 -13.016 -30.797 1.00 12.02 C ATOM 300 CD1 LEU A 19 5.821 -13.222 -31.889 1.00 53.52 C ATOM 301 CD2 LEU A 19 4.454 -14.336 -30.115 1.00 65.32 C ATOM 0 H LEU A 19 6.373 -11.084 -27.475 1.00 11.54 H new ATOM 0 HA LEU A 19 6.961 -13.271 -29.386 1.00 14.04 H new ATOM 0 HB2 LEU A 19 4.567 -11.966 -28.946 1.00 42.33 H new ATOM 0 HB3 LEU A 19 5.262 -11.007 -30.238 1.00 42.33 H new ATOM 0 HG LEU A 19 3.873 -12.631 -31.258 1.00 12.02 H new ATOM 0 HD11 LEU A 19 5.452 -13.953 -32.608 1.00 53.52 H new ATOM 0 HD12 LEU A 19 6.008 -12.276 -32.397 1.00 53.52 H new ATOM 0 HD13 LEU A 19 6.748 -13.585 -31.446 1.00 53.52 H new ATOM 0 HD21 LEU A 19 4.105 -15.052 -30.858 1.00 65.32 H new ATOM 0 HD22 LEU A 19 5.347 -14.726 -29.627 1.00 65.32 H new ATOM 0 HD23 LEU A 19 3.674 -14.176 -29.370 1.00 65.32 H new ATOM 313 N ASN A 20 8.652 -10.836 -29.124 1.00 5.45 N ATOM 314 CA ASN A 20 9.682 -9.954 -29.662 1.00 22.22 C ATOM 315 C ASN A 20 9.057 -8.748 -30.357 1.00 21.34 C ATOM 316 O ASN A 20 9.366 -8.454 -31.511 1.00 43.53 O ATOM 317 CB ASN A 20 10.574 -10.717 -30.644 1.00 32.14 C ATOM 318 CG ASN A 20 11.986 -10.167 -30.689 1.00 42.25 C ATOM 319 OD1 ASN A 20 12.237 -9.120 -31.287 1.00 64.32 O ATOM 320 ND2 ASN A 20 12.917 -10.872 -30.057 1.00 34.04 N ATOM 0 H ASN A 20 8.745 -11.035 -28.128 1.00 5.45 H new ATOM 0 HA ASN A 20 10.290 -9.597 -28.831 1.00 22.22 H new ATOM 0 HB2 ASN A 20 10.606 -11.769 -30.360 1.00 32.14 H new ATOM 0 HB3 ASN A 20 10.136 -10.669 -31.641 1.00 32.14 H new ATOM 0 HD21 ASN A 20 13.885 -10.551 -30.054 1.00 34.04 H new ATOM 0 HD22 ASN A 20 12.664 -11.734 -29.574 1.00 34.04 H new ATOM 327 N LYS A 21 8.176 -8.053 -29.645 1.00 21.40 N ATOM 328 CA LYS A 21 7.508 -6.878 -30.191 1.00 11.13 C ATOM 329 C LYS A 21 8.195 -5.597 -29.728 1.00 24.31 C ATOM 330 O LYS A 21 8.297 -5.334 -28.529 1.00 74.24 O ATOM 331 CB LYS A 21 6.037 -6.861 -29.769 1.00 52.52 C ATOM 332 CG LYS A 21 5.098 -6.372 -30.858 1.00 52.15 C ATOM 333 CD LYS A 21 4.562 -7.525 -31.691 1.00 12.50 C ATOM 334 CE LYS A 21 5.649 -8.137 -32.560 1.00 62.31 C ATOM 335 NZ LYS A 21 6.211 -7.151 -33.524 1.00 11.43 N ATOM 0 H LYS A 21 7.908 -8.284 -28.688 1.00 21.40 H new ATOM 0 HA LYS A 21 7.568 -6.929 -31.278 1.00 11.13 H new ATOM 0 HB2 LYS A 21 5.742 -7.867 -29.471 1.00 52.52 H new ATOM 0 HB3 LYS A 21 5.927 -6.223 -28.892 1.00 52.52 H new ATOM 0 HG2 LYS A 21 4.267 -5.831 -30.407 1.00 52.15 H new ATOM 0 HG3 LYS A 21 5.623 -5.669 -31.504 1.00 52.15 H new ATOM 0 HD2 LYS A 21 4.148 -8.289 -31.033 1.00 12.50 H new ATOM 0 HD3 LYS A 21 3.747 -7.171 -32.322 1.00 12.50 H new ATOM 0 HE2 LYS A 21 6.448 -8.520 -31.925 1.00 62.31 H new ATOM 0 HE3 LYS A 21 5.241 -8.987 -33.107 1.00 62.31 H new ATOM 0 HZ1 LYS A 21 6.822 -7.643 -34.207 1.00 11.43 H new ATOM 0 HZ2 LYS A 21 5.435 -6.680 -34.031 1.00 11.43 H new ATOM 0 HZ3 LYS A 21 6.769 -6.441 -33.009 1.00 11.43 H new ATOM 349 N ASP A 22 8.665 -4.804 -30.685 1.00 34.33 N ATOM 350 CA ASP A 22 9.340 -3.550 -30.375 1.00 2.40 C ATOM 351 C ASP A 22 8.396 -2.585 -29.665 1.00 12.31 C ATOM 352 O ASP A 22 7.177 -2.664 -29.821 1.00 20.13 O ATOM 353 CB ASP A 22 9.879 -2.907 -31.654 1.00 2.32 C ATOM 354 CG ASP A 22 11.223 -2.238 -31.443 1.00 44.24 C ATOM 355 OD1 ASP A 22 11.243 -1.082 -30.971 1.00 70.13 O ATOM 356 OD2 ASP A 22 12.256 -2.870 -31.752 1.00 13.32 O ATOM 0 H ASP A 22 8.591 -5.008 -31.682 1.00 34.33 H new ATOM 0 HA ASP A 22 10.174 -3.770 -29.708 1.00 2.40 H new ATOM 0 HB2 ASP A 22 9.973 -3.668 -32.428 1.00 2.32 H new ATOM 0 HB3 ASP A 22 9.162 -2.170 -32.017 1.00 2.32 H new ATOM 361 N LYS A 23 8.966 -1.674 -28.883 1.00 63.14 N ATOM 362 CA LYS A 23 8.177 -0.693 -28.149 1.00 13.04 C ATOM 363 C LYS A 23 7.316 0.134 -29.098 1.00 74.21 C ATOM 364 O LYS A 23 6.300 0.700 -28.696 1.00 35.42 O ATOM 365 CB LYS A 23 9.094 0.229 -27.341 1.00 73.33 C ATOM 366 CG LYS A 23 9.927 1.163 -28.201 1.00 53.15 C ATOM 367 CD LYS A 23 10.770 2.099 -27.352 1.00 44.13 C ATOM 368 CE LYS A 23 9.928 3.209 -26.742 1.00 44.22 C ATOM 369 NZ LYS A 23 9.572 4.251 -27.745 1.00 65.34 N ATOM 0 H LYS A 23 9.973 -1.595 -28.742 1.00 63.14 H new ATOM 0 HA LYS A 23 7.520 -1.231 -27.466 1.00 13.04 H new ATOM 0 HB2 LYS A 23 8.487 0.823 -26.657 1.00 73.33 H new ATOM 0 HB3 LYS A 23 9.760 -0.380 -26.730 1.00 73.33 H new ATOM 0 HG2 LYS A 23 10.576 0.578 -28.852 1.00 53.15 H new ATOM 0 HG3 LYS A 23 9.271 1.747 -28.846 1.00 53.15 H new ATOM 0 HD2 LYS A 23 11.257 1.532 -26.558 1.00 44.13 H new ATOM 0 HD3 LYS A 23 11.560 2.535 -27.964 1.00 44.13 H new ATOM 0 HE2 LYS A 23 9.017 2.784 -26.321 1.00 44.22 H new ATOM 0 HE3 LYS A 23 10.475 3.669 -25.919 1.00 44.22 H new ATOM 0 HZ1 LYS A 23 9.086 5.038 -27.270 1.00 65.34 H new ATOM 0 HZ2 LYS A 23 10.437 4.603 -28.202 1.00 65.34 H new ATOM 0 HZ3 LYS A 23 8.943 3.840 -28.464 1.00 65.34 H new ATOM 383 N ALA A 24 7.728 0.198 -30.360 1.00 21.22 N ATOM 384 CA ALA A 24 6.992 0.952 -31.367 1.00 3.33 C ATOM 385 C ALA A 24 5.752 0.192 -31.824 1.00 50.34 C ATOM 386 O ALA A 24 4.939 0.715 -32.587 1.00 53.01 O ATOM 387 CB ALA A 24 7.891 1.264 -32.554 1.00 60.53 C ATOM 0 H ALA A 24 8.568 -0.264 -30.709 1.00 21.22 H new ATOM 0 HA ALA A 24 6.665 1.890 -30.917 1.00 3.33 H new ATOM 0 HB1 ALA A 24 7.328 1.827 -33.298 1.00 60.53 H new ATOM 0 HB2 ALA A 24 8.743 1.855 -32.219 1.00 60.53 H new ATOM 0 HB3 ALA A 24 8.246 0.333 -32.996 1.00 60.53 H new ATOM 393 N ILE A 25 5.614 -1.043 -31.355 1.00 11.01 N ATOM 394 CA ILE A 25 4.472 -1.874 -31.716 1.00 42.13 C ATOM 395 C ILE A 25 3.633 -2.219 -30.490 1.00 44.14 C ATOM 396 O ILE A 25 2.447 -2.527 -30.605 1.00 13.14 O ATOM 397 CB ILE A 25 4.920 -3.178 -32.402 1.00 32.42 C ATOM 398 CG1 ILE A 25 5.691 -2.867 -33.686 1.00 3.32 C ATOM 399 CG2 ILE A 25 3.716 -4.059 -32.701 1.00 62.41 C ATOM 400 CD1 ILE A 25 7.193 -2.875 -33.505 1.00 41.45 C ATOM 0 H ILE A 25 6.279 -1.491 -30.724 1.00 11.01 H new ATOM 0 HA ILE A 25 3.868 -1.295 -32.414 1.00 42.13 H new ATOM 0 HB ILE A 25 5.583 -3.718 -31.725 1.00 32.42 H new ATOM 0 HG12 ILE A 25 5.421 -3.598 -34.448 1.00 3.32 H new ATOM 0 HG13 ILE A 25 5.383 -1.890 -34.058 1.00 3.32 H new ATOM 0 HG21 ILE A 25 4.048 -4.977 -33.186 1.00 62.41 H new ATOM 0 HG22 ILE A 25 3.205 -4.305 -31.770 1.00 62.41 H new ATOM 0 HG23 ILE A 25 3.031 -3.527 -33.362 1.00 62.41 H new ATOM 0 HD11 ILE A 25 7.675 -2.647 -34.456 1.00 41.45 H new ATOM 0 HD12 ILE A 25 7.474 -2.125 -32.766 1.00 41.45 H new ATOM 0 HD13 ILE A 25 7.513 -3.859 -33.163 1.00 41.45 H new ATOM 412 N ILE A 26 4.257 -2.163 -29.319 1.00 25.43 N ATOM 413 CA ILE A 26 3.568 -2.467 -28.071 1.00 74.11 C ATOM 414 C ILE A 26 2.255 -1.698 -27.968 1.00 34.52 C ATOM 415 O ILE A 26 2.245 -0.497 -27.698 1.00 54.12 O ATOM 416 CB ILE A 26 4.442 -2.133 -26.848 1.00 64.33 C ATOM 417 CG1 ILE A 26 5.699 -3.006 -26.840 1.00 4.41 C ATOM 418 CG2 ILE A 26 3.651 -2.323 -25.563 1.00 73.11 C ATOM 419 CD1 ILE A 26 5.407 -4.486 -26.732 1.00 1.22 C ATOM 0 H ILE A 26 5.239 -1.910 -29.208 1.00 25.43 H new ATOM 0 HA ILE A 26 3.362 -3.537 -28.077 1.00 74.11 H new ATOM 0 HB ILE A 26 4.747 -1.088 -26.912 1.00 64.33 H new ATOM 0 HG12 ILE A 26 6.265 -2.821 -27.753 1.00 4.41 H new ATOM 0 HG13 ILE A 26 6.333 -2.707 -26.005 1.00 4.41 H new ATOM 0 HG21 ILE A 26 4.283 -2.083 -24.708 1.00 73.11 H new ATOM 0 HG22 ILE A 26 2.783 -1.664 -25.569 1.00 73.11 H new ATOM 0 HG23 ILE A 26 3.319 -3.359 -25.490 1.00 73.11 H new ATOM 0 HD11 ILE A 26 6.344 -5.043 -26.732 1.00 1.22 H new ATOM 0 HD12 ILE A 26 4.868 -4.684 -25.806 1.00 1.22 H new ATOM 0 HD13 ILE A 26 4.798 -4.800 -27.580 1.00 1.22 H new ATOM 431 N THR A 27 1.146 -2.400 -28.183 1.00 31.15 N ATOM 432 CA THR A 27 -0.173 -1.785 -28.113 1.00 54.31 C ATOM 433 C THR A 27 -1.108 -2.587 -27.215 1.00 22.12 C ATOM 434 O THR A 27 -0.996 -3.810 -27.119 1.00 13.11 O ATOM 435 CB THR A 27 -0.808 -1.657 -29.511 1.00 1.12 C ATOM 436 OG1 THR A 27 -0.797 -2.927 -30.172 1.00 21.11 O ATOM 437 CG2 THR A 27 -0.060 -0.635 -30.353 1.00 40.42 C ATOM 0 H THR A 27 1.136 -3.395 -28.407 1.00 31.15 H new ATOM 0 HA THR A 27 -0.035 -0.789 -27.691 1.00 54.31 H new ATOM 0 HB THR A 27 -1.838 -1.320 -29.389 1.00 1.12 H new ATOM 0 HG1 THR A 27 -1.203 -2.837 -31.059 1.00 21.11 H new ATOM 0 HG21 THR A 27 -0.526 -0.562 -31.336 1.00 40.42 H new ATOM 0 HG22 THR A 27 -0.095 0.337 -29.861 1.00 40.42 H new ATOM 0 HG23 THR A 27 0.978 -0.947 -30.466 1.00 40.42 H new ATOM 445 N THR A 28 -2.031 -1.892 -26.557 1.00 61.03 N ATOM 446 CA THR A 28 -2.985 -2.540 -25.666 1.00 42.11 C ATOM 447 C THR A 28 -3.750 -3.643 -26.388 1.00 24.51 C ATOM 448 O THR A 28 -4.223 -4.594 -25.764 1.00 52.44 O ATOM 449 CB THR A 28 -3.991 -1.527 -25.088 1.00 51.02 C ATOM 450 OG1 THR A 28 -4.818 -1.007 -26.135 1.00 13.41 O ATOM 451 CG2 THR A 28 -3.269 -0.384 -24.390 1.00 63.54 C ATOM 0 H THR A 28 -2.138 -0.880 -26.625 1.00 61.03 H new ATOM 0 HA THR A 28 -2.409 -2.976 -24.849 1.00 42.11 H new ATOM 0 HB THR A 28 -4.613 -2.043 -24.356 1.00 51.02 H new ATOM 0 HG1 THR A 28 -5.456 -0.365 -25.759 1.00 13.41 H new ATOM 0 HG21 THR A 28 -4.001 0.318 -23.990 1.00 63.54 H new ATOM 0 HG22 THR A 28 -2.663 -0.780 -23.575 1.00 63.54 H new ATOM 0 HG23 THR A 28 -2.625 0.130 -25.104 1.00 63.54 H new ATOM 459 N ASP A 29 -3.866 -3.512 -27.705 1.00 31.23 N ATOM 460 CA ASP A 29 -4.572 -4.500 -28.512 1.00 73.11 C ATOM 461 C ASP A 29 -3.634 -5.142 -29.530 1.00 0.45 C ATOM 462 O ASP A 29 -4.062 -5.566 -30.603 1.00 14.23 O ATOM 463 CB ASP A 29 -5.756 -3.851 -29.230 1.00 54.22 C ATOM 464 CG ASP A 29 -6.888 -3.502 -28.283 1.00 24.20 C ATOM 465 OD1 ASP A 29 -7.601 -4.429 -27.844 1.00 52.30 O ATOM 466 OD2 ASP A 29 -7.059 -2.303 -27.980 1.00 21.11 O ATOM 0 H ASP A 29 -3.480 -2.731 -28.236 1.00 31.23 H new ATOM 0 HA ASP A 29 -4.943 -5.279 -27.846 1.00 73.11 H new ATOM 0 HB2 ASP A 29 -5.418 -2.947 -29.737 1.00 54.22 H new ATOM 0 HB3 ASP A 29 -6.126 -4.528 -30.000 1.00 54.22 H new ATOM 471 N SER A 30 -2.352 -5.208 -29.185 1.00 41.10 N ATOM 472 CA SER A 30 -1.352 -5.793 -30.070 1.00 62.03 C ATOM 473 C SER A 30 -1.783 -7.181 -30.534 1.00 65.22 C ATOM 474 O SER A 30 -1.780 -8.136 -29.757 1.00 12.21 O ATOM 475 CB SER A 30 0.001 -5.877 -29.361 1.00 42.11 C ATOM 476 OG SER A 30 0.888 -4.878 -29.834 1.00 53.41 O ATOM 0 H SER A 30 -1.982 -4.864 -28.299 1.00 41.10 H new ATOM 0 HA SER A 30 -1.256 -5.150 -30.945 1.00 62.03 H new ATOM 0 HB2 SER A 30 -0.140 -5.763 -28.286 1.00 42.11 H new ATOM 0 HB3 SER A 30 0.439 -6.862 -29.522 1.00 42.11 H new ATOM 0 HG SER A 30 0.385 -4.060 -30.030 1.00 53.41 H new ATOM 482 N ARG A 31 -2.152 -7.285 -31.807 1.00 1.34 N ATOM 483 CA ARG A 31 -2.587 -8.555 -32.375 1.00 44.10 C ATOM 484 C ARG A 31 -1.477 -9.185 -33.211 1.00 45.44 C ATOM 485 O ARG A 31 -1.700 -9.596 -34.350 1.00 72.30 O ATOM 486 CB ARG A 31 -3.835 -8.352 -33.235 1.00 74.41 C ATOM 487 CG ARG A 31 -4.997 -7.722 -32.484 1.00 23.11 C ATOM 488 CD ARG A 31 -6.330 -8.063 -33.132 1.00 3.24 C ATOM 489 NE ARG A 31 -7.461 -7.586 -32.340 1.00 44.21 N ATOM 490 CZ ARG A 31 -8.717 -7.599 -32.771 1.00 41.44 C ATOM 491 NH1 ARG A 31 -9.002 -8.062 -33.980 1.00 65.35 N ATOM 492 NH2 ARG A 31 -9.692 -7.147 -31.992 1.00 63.43 N ATOM 0 H ARG A 31 -2.158 -6.505 -32.464 1.00 1.34 H new ATOM 0 HA ARG A 31 -2.826 -9.229 -31.553 1.00 44.10 H new ATOM 0 HB2 ARG A 31 -3.580 -7.722 -34.087 1.00 74.41 H new ATOM 0 HB3 ARG A 31 -4.151 -9.316 -33.634 1.00 74.41 H new ATOM 0 HG2 ARG A 31 -4.994 -8.069 -31.451 1.00 23.11 H new ATOM 0 HG3 ARG A 31 -4.870 -6.640 -32.457 1.00 23.11 H new ATOM 0 HD2 ARG A 31 -6.373 -7.621 -34.128 1.00 3.24 H new ATOM 0 HD3 ARG A 31 -6.406 -9.143 -33.259 1.00 3.24 H new ATOM 0 HE ARG A 31 -7.276 -7.223 -31.405 1.00 44.21 H new ATOM 0 HH11 ARG A 31 -8.256 -8.410 -34.582 1.00 65.35 H new ATOM 0 HH12 ARG A 31 -9.968 -8.071 -34.308 1.00 65.35 H new ATOM 0 HH21 ARG A 31 -9.477 -6.789 -31.061 1.00 63.43 H new ATOM 0 HH22 ARG A 31 -10.656 -7.157 -32.324 1.00 63.43 H new ATOM 506 N PHE A 32 -0.279 -9.256 -32.639 1.00 53.40 N ATOM 507 CA PHE A 32 0.866 -9.833 -33.332 1.00 23.50 C ATOM 508 C PHE A 32 0.522 -11.207 -33.901 1.00 11.14 C ATOM 509 O PHE A 32 1.045 -11.609 -34.941 1.00 15.53 O ATOM 510 CB PHE A 32 2.060 -9.947 -32.381 1.00 71.24 C ATOM 511 CG PHE A 32 1.692 -10.452 -31.015 1.00 64.14 C ATOM 512 CD1 PHE A 32 1.478 -11.803 -30.796 1.00 73.33 C ATOM 513 CD2 PHE A 32 1.561 -9.575 -29.951 1.00 22.45 C ATOM 514 CE1 PHE A 32 1.140 -12.271 -29.540 1.00 73.34 C ATOM 515 CE2 PHE A 32 1.224 -10.038 -28.692 1.00 51.45 C ATOM 516 CZ PHE A 32 1.012 -11.387 -28.487 1.00 73.04 C ATOM 0 H PHE A 32 -0.077 -8.921 -31.697 1.00 53.40 H new ATOM 0 HA PHE A 32 1.130 -9.173 -34.158 1.00 23.50 H new ATOM 0 HB2 PHE A 32 2.801 -10.616 -32.819 1.00 71.24 H new ATOM 0 HB3 PHE A 32 2.531 -8.969 -32.283 1.00 71.24 H new ATOM 0 HD1 PHE A 32 1.576 -12.499 -31.616 1.00 73.33 H new ATOM 0 HD2 PHE A 32 1.724 -8.519 -30.106 1.00 22.45 H new ATOM 0 HE1 PHE A 32 0.976 -13.327 -29.382 1.00 73.34 H new ATOM 0 HE2 PHE A 32 1.127 -9.345 -27.870 1.00 51.45 H new ATOM 0 HZ PHE A 32 0.747 -11.750 -27.505 1.00 73.04 H new ATOM 526 N ILE A 33 -0.360 -11.922 -33.210 1.00 71.05 N ATOM 527 CA ILE A 33 -0.775 -13.250 -33.646 1.00 42.33 C ATOM 528 C ILE A 33 -1.326 -13.214 -35.068 1.00 33.44 C ATOM 529 O ILE A 33 -1.031 -14.090 -35.880 1.00 31.22 O ATOM 530 CB ILE A 33 -1.842 -13.842 -32.708 1.00 35.41 C ATOM 531 CG1 ILE A 33 -2.304 -15.207 -33.222 1.00 61.54 C ATOM 532 CG2 ILE A 33 -3.023 -12.891 -32.581 1.00 72.24 C ATOM 533 CD1 ILE A 33 -1.177 -16.202 -33.390 1.00 61.40 C ATOM 0 H ILE A 33 -0.801 -11.604 -32.347 1.00 71.05 H new ATOM 0 HA ILE A 33 0.112 -13.883 -33.619 1.00 42.33 H new ATOM 0 HB ILE A 33 -1.401 -13.977 -31.720 1.00 35.41 H new ATOM 0 HG12 ILE A 33 -3.040 -15.617 -32.530 1.00 61.54 H new ATOM 0 HG13 ILE A 33 -2.807 -15.074 -34.180 1.00 61.54 H new ATOM 0 HG21 ILE A 33 -3.769 -13.324 -31.914 1.00 72.24 H new ATOM 0 HG22 ILE A 33 -2.682 -11.939 -32.174 1.00 72.24 H new ATOM 0 HG23 ILE A 33 -3.466 -12.728 -33.564 1.00 72.24 H new ATOM 0 HD11 ILE A 33 -1.578 -17.147 -33.757 1.00 61.40 H new ATOM 0 HD12 ILE A 33 -0.452 -15.813 -34.105 1.00 61.40 H new ATOM 0 HD13 ILE A 33 -0.688 -16.364 -32.429 1.00 61.40 H new ATOM 545 N GLU A 34 -2.127 -12.195 -35.361 1.00 14.35 N ATOM 546 CA GLU A 34 -2.719 -12.045 -36.685 1.00 32.12 C ATOM 547 C GLU A 34 -1.822 -11.206 -37.590 1.00 11.30 C ATOM 548 O GLU A 34 -1.412 -11.652 -38.662 1.00 14.32 O ATOM 549 CB GLU A 34 -4.103 -11.400 -36.580 1.00 23.04 C ATOM 550 CG GLU A 34 -5.034 -12.111 -35.612 1.00 70.55 C ATOM 551 CD GLU A 34 -6.494 -11.967 -35.996 1.00 11.14 C ATOM 552 OE1 GLU A 34 -7.007 -10.829 -35.958 1.00 3.42 O ATOM 553 OE2 GLU A 34 -7.124 -12.991 -36.333 1.00 22.04 O ATOM 0 H GLU A 34 -2.381 -11.461 -34.700 1.00 14.35 H new ATOM 0 HA GLU A 34 -2.822 -13.038 -37.123 1.00 32.12 H new ATOM 0 HB2 GLU A 34 -3.988 -10.363 -36.265 1.00 23.04 H new ATOM 0 HB3 GLU A 34 -4.563 -11.384 -37.568 1.00 23.04 H new ATOM 0 HG2 GLU A 34 -4.774 -13.169 -35.575 1.00 70.55 H new ATOM 0 HG3 GLU A 34 -4.885 -11.711 -34.609 1.00 70.55 H new ATOM 560 N ASP A 35 -1.522 -9.988 -37.151 1.00 21.52 N ATOM 561 CA ASP A 35 -0.673 -9.086 -37.920 1.00 53.11 C ATOM 562 C ASP A 35 0.637 -9.766 -38.303 1.00 62.40 C ATOM 563 O ASP A 35 0.992 -9.836 -39.481 1.00 20.25 O ATOM 564 CB ASP A 35 -0.387 -7.814 -37.120 1.00 32.44 C ATOM 565 CG ASP A 35 -1.429 -6.738 -37.351 1.00 52.20 C ATOM 566 OD1 ASP A 35 -2.598 -7.090 -37.616 1.00 42.14 O ATOM 567 OD2 ASP A 35 -1.076 -5.543 -37.266 1.00 34.12 O ATOM 0 H ASP A 35 -1.854 -9.603 -36.267 1.00 21.52 H new ATOM 0 HA ASP A 35 -1.203 -8.819 -38.834 1.00 53.11 H new ATOM 0 HB2 ASP A 35 -0.349 -8.057 -36.058 1.00 32.44 H new ATOM 0 HB3 ASP A 35 0.595 -7.429 -37.394 1.00 32.44 H new ATOM 572 N LEU A 36 1.353 -10.266 -37.302 1.00 0.13 N ATOM 573 CA LEU A 36 2.626 -10.941 -37.533 1.00 13.51 C ATOM 574 C LEU A 36 2.405 -12.391 -37.950 1.00 22.12 C ATOM 575 O LEU A 36 3.349 -13.096 -38.308 1.00 30.24 O ATOM 576 CB LEU A 36 3.491 -10.886 -36.273 1.00 33.05 C ATOM 577 CG LEU A 36 5.003 -10.876 -36.496 1.00 63.54 C ATOM 578 CD1 LEU A 36 5.703 -10.109 -35.385 1.00 74.21 C ATOM 579 CD2 LEU A 36 5.538 -12.298 -36.584 1.00 24.31 C ATOM 0 H LEU A 36 1.074 -10.217 -36.322 1.00 0.13 H new ATOM 0 HA LEU A 36 3.142 -10.424 -38.342 1.00 13.51 H new ATOM 0 HB2 LEU A 36 3.221 -9.992 -35.710 1.00 33.05 H new ATOM 0 HB3 LEU A 36 3.242 -11.744 -35.648 1.00 33.05 H new ATOM 0 HG LEU A 36 5.208 -10.372 -37.441 1.00 63.54 H new ATOM 0 HD11 LEU A 36 6.779 -10.113 -35.562 1.00 74.21 H new ATOM 0 HD12 LEU A 36 5.342 -9.081 -35.369 1.00 74.21 H new ATOM 0 HD13 LEU A 36 5.491 -10.583 -34.426 1.00 74.21 H new ATOM 0 HD21 LEU A 36 6.616 -12.272 -36.743 1.00 24.31 H new ATOM 0 HD22 LEU A 36 5.321 -12.827 -35.656 1.00 24.31 H new ATOM 0 HD23 LEU A 36 5.061 -12.815 -37.416 1.00 24.31 H new ATOM 591 N LYS A 37 1.152 -12.831 -37.903 1.00 42.32 N ATOM 592 CA LYS A 37 0.805 -14.196 -38.279 1.00 64.21 C ATOM 593 C LYS A 37 1.693 -15.202 -37.554 1.00 21.34 C ATOM 594 O LYS A 37 2.333 -16.046 -38.181 1.00 54.34 O ATOM 595 CB LYS A 37 0.939 -14.380 -39.792 1.00 63.05 C ATOM 596 CG LYS A 37 -0.296 -13.957 -40.568 1.00 72.32 C ATOM 597 CD LYS A 37 -1.506 -14.796 -40.190 1.00 41.42 C ATOM 598 CE LYS A 37 -2.668 -14.559 -41.143 1.00 2.33 C ATOM 599 NZ LYS A 37 -2.347 -14.998 -42.529 1.00 40.00 N ATOM 0 H LYS A 37 0.359 -12.261 -37.608 1.00 42.32 H new ATOM 0 HA LYS A 37 -0.230 -14.374 -37.988 1.00 64.21 H new ATOM 0 HB2 LYS A 37 1.795 -13.804 -40.145 1.00 63.05 H new ATOM 0 HB3 LYS A 37 1.150 -15.428 -40.005 1.00 63.05 H new ATOM 0 HG2 LYS A 37 -0.506 -12.905 -40.374 1.00 72.32 H new ATOM 0 HG3 LYS A 37 -0.106 -14.052 -41.637 1.00 72.32 H new ATOM 0 HD2 LYS A 37 -1.235 -15.852 -40.200 1.00 41.42 H new ATOM 0 HD3 LYS A 37 -1.814 -14.555 -39.172 1.00 41.42 H new ATOM 0 HE2 LYS A 37 -3.546 -15.097 -40.786 1.00 2.33 H new ATOM 0 HE3 LYS A 37 -2.924 -13.499 -41.148 1.00 2.33 H new ATOM 0 HZ1 LYS A 37 -3.229 -15.126 -43.066 1.00 40.00 H new ATOM 0 HZ2 LYS A 37 -1.760 -14.277 -42.994 1.00 40.00 H new ATOM 0 HZ3 LYS A 37 -1.828 -15.899 -42.496 1.00 40.00 H new ATOM 613 N ALA A 38 1.726 -15.108 -36.228 1.00 50.04 N ATOM 614 CA ALA A 38 2.532 -16.012 -35.418 1.00 23.30 C ATOM 615 C ALA A 38 2.073 -17.457 -35.585 1.00 14.41 C ATOM 616 O ALA A 38 0.893 -17.766 -35.415 1.00 62.23 O ATOM 617 CB ALA A 38 2.473 -15.603 -33.954 1.00 21.44 C ATOM 0 H ALA A 38 1.204 -14.415 -35.693 1.00 50.04 H new ATOM 0 HA ALA A 38 3.564 -15.945 -35.761 1.00 23.30 H new ATOM 0 HB1 ALA A 38 3.080 -16.287 -33.360 1.00 21.44 H new ATOM 0 HB2 ALA A 38 2.857 -14.589 -33.844 1.00 21.44 H new ATOM 0 HB3 ALA A 38 1.440 -15.640 -33.607 1.00 21.44 H new ATOM 623 N ASP A 39 3.011 -18.336 -35.919 1.00 35.13 N ATOM 624 CA ASP A 39 2.701 -19.749 -36.108 1.00 45.44 C ATOM 625 C ASP A 39 2.029 -20.329 -34.868 1.00 54.13 C ATOM 626 O ASP A 39 1.876 -19.646 -33.856 1.00 1.13 O ATOM 627 CB ASP A 39 3.975 -20.533 -36.427 1.00 22.11 C ATOM 628 CG ASP A 39 4.759 -19.924 -37.573 1.00 31.11 C ATOM 629 OD1 ASP A 39 4.158 -19.171 -38.368 1.00 24.33 O ATOM 630 OD2 ASP A 39 5.973 -20.201 -37.676 1.00 15.15 O ATOM 0 H ASP A 39 3.992 -18.096 -36.064 1.00 35.13 H new ATOM 0 HA ASP A 39 2.010 -19.835 -36.947 1.00 45.44 H new ATOM 0 HB2 ASP A 39 4.606 -20.572 -35.539 1.00 22.11 H new ATOM 0 HB3 ASP A 39 3.712 -21.561 -36.676 1.00 22.11 H new ATOM 635 N SER A 40 1.627 -21.593 -34.956 1.00 10.00 N ATOM 636 CA SER A 40 0.966 -22.264 -33.843 1.00 13.22 C ATOM 637 C SER A 40 1.956 -23.117 -33.057 1.00 25.21 C ATOM 638 O SER A 40 1.771 -23.365 -31.865 1.00 23.23 O ATOM 639 CB SER A 40 -0.182 -23.136 -34.355 1.00 32.12 C ATOM 640 OG SER A 40 -1.085 -23.456 -33.310 1.00 43.01 O ATOM 0 H SER A 40 1.748 -22.173 -35.786 1.00 10.00 H new ATOM 0 HA SER A 40 0.564 -21.500 -33.178 1.00 13.22 H new ATOM 0 HB2 SER A 40 -0.713 -22.614 -35.151 1.00 32.12 H new ATOM 0 HB3 SER A 40 0.219 -24.053 -34.787 1.00 32.12 H new ATOM 0 HG SER A 40 -1.810 -24.012 -33.663 1.00 43.01 H new ATOM 646 N LEU A 41 3.009 -23.564 -33.733 1.00 70.11 N ATOM 647 CA LEU A 41 4.031 -24.390 -33.100 1.00 31.33 C ATOM 648 C LEU A 41 5.018 -23.531 -32.316 1.00 53.43 C ATOM 649 O LEU A 41 5.580 -23.971 -31.313 1.00 53.32 O ATOM 650 CB LEU A 41 4.777 -25.211 -34.153 1.00 75.14 C ATOM 651 CG LEU A 41 5.904 -24.489 -34.892 1.00 70.22 C ATOM 652 CD1 LEU A 41 6.780 -25.486 -35.634 1.00 23.50 C ATOM 653 CD2 LEU A 41 5.335 -23.457 -35.855 1.00 5.33 C ATOM 0 H LEU A 41 3.177 -23.368 -34.720 1.00 70.11 H new ATOM 0 HA LEU A 41 3.535 -25.067 -32.405 1.00 31.33 H new ATOM 0 HB2 LEU A 41 5.194 -26.093 -33.668 1.00 75.14 H new ATOM 0 HB3 LEU A 41 4.054 -25.564 -34.889 1.00 75.14 H new ATOM 0 HG LEU A 41 6.520 -23.971 -34.157 1.00 70.22 H new ATOM 0 HD11 LEU A 41 7.577 -24.954 -36.154 1.00 23.50 H new ATOM 0 HD12 LEU A 41 7.216 -26.187 -34.923 1.00 23.50 H new ATOM 0 HD13 LEU A 41 6.176 -26.033 -36.358 1.00 23.50 H new ATOM 0 HD21 LEU A 41 6.151 -22.953 -36.372 1.00 5.33 H new ATOM 0 HD22 LEU A 41 4.695 -23.954 -36.584 1.00 5.33 H new ATOM 0 HD23 LEU A 41 4.750 -22.724 -35.299 1.00 5.33 H new ATOM 665 N ASP A 42 5.222 -22.302 -32.780 1.00 31.54 N ATOM 666 CA ASP A 42 6.138 -21.379 -32.121 1.00 23.24 C ATOM 667 C ASP A 42 5.463 -20.697 -30.935 1.00 51.32 C ATOM 668 O ASP A 42 6.102 -20.413 -29.921 1.00 53.53 O ATOM 669 CB ASP A 42 6.639 -20.328 -33.113 1.00 34.31 C ATOM 670 CG ASP A 42 7.392 -20.943 -34.276 1.00 55.24 C ATOM 671 OD1 ASP A 42 8.080 -21.963 -34.065 1.00 14.02 O ATOM 672 OD2 ASP A 42 7.293 -20.403 -35.399 1.00 24.04 O ATOM 0 H ASP A 42 4.765 -21.923 -33.609 1.00 31.54 H new ATOM 0 HA ASP A 42 6.988 -21.952 -31.751 1.00 23.24 H new ATOM 0 HB2 ASP A 42 5.791 -19.758 -33.493 1.00 34.31 H new ATOM 0 HB3 ASP A 42 7.289 -19.624 -32.594 1.00 34.31 H new ATOM 677 N THR A 43 4.166 -20.435 -31.070 1.00 5.55 N ATOM 678 CA THR A 43 3.405 -19.783 -30.011 1.00 73.44 C ATOM 679 C THR A 43 3.613 -20.483 -28.673 1.00 70.44 C ATOM 680 O THR A 43 3.896 -19.841 -27.662 1.00 41.43 O ATOM 681 CB THR A 43 1.899 -19.759 -30.336 1.00 62.23 C ATOM 682 OG1 THR A 43 1.561 -20.871 -31.173 1.00 53.11 O ATOM 683 CG2 THR A 43 1.516 -18.461 -31.030 1.00 41.30 C ATOM 0 H THR A 43 3.621 -20.664 -31.901 1.00 5.55 H new ATOM 0 HA THR A 43 3.772 -18.759 -29.943 1.00 73.44 H new ATOM 0 HB THR A 43 1.346 -19.828 -29.399 1.00 62.23 H new ATOM 0 HG1 THR A 43 1.937 -21.693 -30.793 1.00 53.11 H new ATOM 0 HG21 THR A 43 0.448 -18.467 -31.250 1.00 41.30 H new ATOM 0 HG22 THR A 43 1.748 -17.618 -30.379 1.00 41.30 H new ATOM 0 HG23 THR A 43 2.077 -18.366 -31.960 1.00 41.30 H new ATOM 691 N VAL A 44 3.472 -21.805 -28.674 1.00 32.21 N ATOM 692 CA VAL A 44 3.646 -22.593 -27.460 1.00 25.23 C ATOM 693 C VAL A 44 4.953 -22.240 -26.758 1.00 42.15 C ATOM 694 O VAL A 44 5.048 -22.303 -25.533 1.00 53.42 O ATOM 695 CB VAL A 44 3.632 -24.103 -27.764 1.00 34.15 C ATOM 696 CG1 VAL A 44 2.360 -24.486 -28.504 1.00 75.52 C ATOM 697 CG2 VAL A 44 4.864 -24.497 -28.564 1.00 33.20 C ATOM 0 H VAL A 44 3.238 -22.352 -29.502 1.00 32.21 H new ATOM 0 HA VAL A 44 2.808 -22.354 -26.805 1.00 25.23 H new ATOM 0 HB VAL A 44 3.652 -24.647 -26.820 1.00 34.15 H new ATOM 0 HG11 VAL A 44 2.367 -25.556 -28.710 1.00 75.52 H new ATOM 0 HG12 VAL A 44 1.494 -24.241 -27.889 1.00 75.52 H new ATOM 0 HG13 VAL A 44 2.306 -23.936 -29.443 1.00 75.52 H new ATOM 0 HG21 VAL A 44 4.837 -25.567 -28.770 1.00 33.20 H new ATOM 0 HG22 VAL A 44 4.878 -23.947 -29.505 1.00 33.20 H new ATOM 0 HG23 VAL A 44 5.761 -24.260 -27.992 1.00 33.20 H new ATOM 707 N GLU A 45 5.959 -21.868 -27.545 1.00 13.13 N ATOM 708 CA GLU A 45 7.261 -21.505 -26.998 1.00 52.31 C ATOM 709 C GLU A 45 7.281 -20.041 -26.568 1.00 1.31 C ATOM 710 O GLU A 45 7.826 -19.698 -25.518 1.00 3.30 O ATOM 711 CB GLU A 45 8.361 -21.760 -28.030 1.00 41.33 C ATOM 712 CG GLU A 45 9.733 -21.279 -27.589 1.00 22.13 C ATOM 713 CD GLU A 45 10.861 -22.056 -28.240 1.00 50.42 C ATOM 714 OE1 GLU A 45 11.020 -21.946 -29.474 1.00 62.21 O ATOM 715 OE2 GLU A 45 11.584 -22.772 -27.517 1.00 73.51 O ATOM 0 H GLU A 45 5.897 -21.810 -28.561 1.00 13.13 H new ATOM 0 HA GLU A 45 7.445 -22.126 -26.121 1.00 52.31 H new ATOM 0 HB2 GLU A 45 8.410 -22.829 -28.240 1.00 41.33 H new ATOM 0 HB3 GLU A 45 8.094 -21.264 -28.963 1.00 41.33 H new ATOM 0 HG2 GLU A 45 9.838 -20.221 -27.831 1.00 22.13 H new ATOM 0 HG3 GLU A 45 9.814 -21.367 -26.506 1.00 22.13 H new ATOM 722 N LEU A 46 6.684 -19.182 -27.386 1.00 50.44 N ATOM 723 CA LEU A 46 6.633 -17.754 -27.092 1.00 41.42 C ATOM 724 C LEU A 46 5.850 -17.489 -25.810 1.00 25.41 C ATOM 725 O LEU A 46 6.345 -16.835 -24.893 1.00 44.51 O ATOM 726 CB LEU A 46 5.996 -16.995 -28.258 1.00 34.23 C ATOM 727 CG LEU A 46 6.704 -17.120 -29.607 1.00 75.33 C ATOM 728 CD1 LEU A 46 5.688 -17.217 -30.736 1.00 24.25 C ATOM 729 CD2 LEU A 46 7.640 -15.942 -29.830 1.00 11.44 C ATOM 0 H LEU A 46 6.228 -19.449 -28.258 1.00 50.44 H new ATOM 0 HA LEU A 46 7.655 -17.401 -26.951 1.00 41.42 H new ATOM 0 HB2 LEU A 46 4.970 -17.344 -28.375 1.00 34.23 H new ATOM 0 HB3 LEU A 46 5.945 -15.939 -27.993 1.00 34.23 H new ATOM 0 HG LEU A 46 7.298 -18.034 -29.600 1.00 75.33 H new ATOM 0 HD11 LEU A 46 6.210 -17.305 -31.689 1.00 24.25 H new ATOM 0 HD12 LEU A 46 5.058 -18.094 -30.585 1.00 24.25 H new ATOM 0 HD13 LEU A 46 5.067 -16.321 -30.744 1.00 24.25 H new ATOM 0 HD21 LEU A 46 8.135 -16.048 -30.795 1.00 11.44 H new ATOM 0 HD22 LEU A 46 7.067 -15.015 -29.816 1.00 11.44 H new ATOM 0 HD23 LEU A 46 8.389 -15.918 -29.039 1.00 11.44 H new ATOM 741 N MET A 47 4.627 -18.005 -25.753 1.00 20.35 N ATOM 742 CA MET A 47 3.777 -17.828 -24.581 1.00 4.34 C ATOM 743 C MET A 47 4.412 -18.464 -23.348 1.00 11.42 C ATOM 744 O MET A 47 4.281 -17.950 -22.237 1.00 24.41 O ATOM 745 CB MET A 47 2.396 -18.436 -24.829 1.00 31.31 C ATOM 746 CG MET A 47 1.754 -17.976 -26.127 1.00 74.14 C ATOM 747 SD MET A 47 -0.047 -18.069 -26.083 1.00 64.20 S ATOM 748 CE MET A 47 -0.292 -19.842 -26.022 1.00 34.33 C ATOM 0 H MET A 47 4.202 -18.549 -26.504 1.00 20.35 H new ATOM 0 HA MET A 47 3.667 -16.759 -24.401 1.00 4.34 H new ATOM 0 HB2 MET A 47 2.483 -19.522 -24.841 1.00 31.31 H new ATOM 0 HB3 MET A 47 1.740 -18.178 -23.997 1.00 31.31 H new ATOM 0 HG2 MET A 47 2.056 -16.949 -26.333 1.00 74.14 H new ATOM 0 HG3 MET A 47 2.126 -18.588 -26.949 1.00 74.14 H new ATOM 0 HE1 MET A 47 -1.359 -20.061 -25.991 1.00 34.33 H new ATOM 0 HE2 MET A 47 0.147 -20.301 -26.908 1.00 34.33 H new ATOM 0 HE3 MET A 47 0.187 -20.245 -25.130 1.00 34.33 H new ATOM 758 N MET A 48 5.098 -19.583 -23.552 1.00 24.12 N ATOM 759 CA MET A 48 5.754 -20.288 -22.456 1.00 14.31 C ATOM 760 C MET A 48 6.643 -19.342 -21.656 1.00 44.51 C ATOM 761 O MET A 48 6.676 -19.396 -20.427 1.00 41.31 O ATOM 762 CB MET A 48 6.584 -21.454 -22.995 1.00 42.23 C ATOM 763 CG MET A 48 7.519 -22.063 -21.963 1.00 12.12 C ATOM 764 SD MET A 48 6.639 -22.732 -20.538 1.00 72.24 S ATOM 765 CE MET A 48 7.916 -22.656 -19.285 1.00 62.51 C ATOM 0 H MET A 48 5.215 -20.022 -24.465 1.00 24.12 H new ATOM 0 HA MET A 48 4.981 -20.678 -21.794 1.00 14.31 H new ATOM 0 HB2 MET A 48 5.911 -22.228 -23.365 1.00 42.23 H new ATOM 0 HB3 MET A 48 7.171 -21.109 -23.846 1.00 42.23 H new ATOM 0 HG2 MET A 48 8.102 -22.856 -22.430 1.00 12.12 H new ATOM 0 HG3 MET A 48 8.225 -21.304 -21.626 1.00 12.12 H new ATOM 0 HE1 MET A 48 8.253 -23.665 -19.048 1.00 62.51 H new ATOM 0 HE2 MET A 48 8.757 -22.070 -19.657 1.00 62.51 H new ATOM 0 HE3 MET A 48 7.516 -22.186 -18.386 1.00 62.51 H new ATOM 775 N ALA A 49 7.364 -18.476 -22.362 1.00 12.24 N ATOM 776 CA ALA A 49 8.252 -17.517 -21.717 1.00 3.13 C ATOM 777 C ALA A 49 7.506 -16.692 -20.674 1.00 53.31 C ATOM 778 O ALA A 49 8.069 -16.321 -19.644 1.00 15.43 O ATOM 779 CB ALA A 49 8.890 -16.606 -22.756 1.00 34.42 C ATOM 0 H ALA A 49 7.350 -18.419 -23.380 1.00 12.24 H new ATOM 0 HA ALA A 49 9.038 -18.074 -21.207 1.00 3.13 H new ATOM 0 HB1 ALA A 49 9.551 -15.895 -22.260 1.00 34.42 H new ATOM 0 HB2 ALA A 49 9.466 -17.206 -23.461 1.00 34.42 H new ATOM 0 HB3 ALA A 49 8.111 -16.064 -23.292 1.00 34.42 H new ATOM 785 N ILE A 50 6.237 -16.408 -20.949 1.00 2.41 N ATOM 786 CA ILE A 50 5.414 -15.626 -20.034 1.00 24.42 C ATOM 787 C ILE A 50 5.245 -16.343 -18.699 1.00 33.33 C ATOM 788 O ILE A 50 4.972 -15.715 -17.676 1.00 71.15 O ATOM 789 CB ILE A 50 4.024 -15.341 -20.631 1.00 33.20 C ATOM 790 CG1 ILE A 50 4.157 -14.558 -21.939 1.00 10.15 C ATOM 791 CG2 ILE A 50 3.166 -14.576 -19.634 1.00 71.41 C ATOM 792 CD1 ILE A 50 4.749 -13.177 -21.758 1.00 74.43 C ATOM 0 H ILE A 50 5.757 -16.708 -21.798 1.00 2.41 H new ATOM 0 HA ILE A 50 5.931 -14.680 -19.873 1.00 24.42 H new ATOM 0 HB ILE A 50 3.536 -16.291 -20.847 1.00 33.20 H new ATOM 0 HG12 ILE A 50 4.781 -15.124 -22.630 1.00 10.15 H new ATOM 0 HG13 ILE A 50 3.173 -14.466 -22.400 1.00 10.15 H new ATOM 0 HG21 ILE A 50 2.186 -14.382 -20.071 1.00 71.41 H new ATOM 0 HG22 ILE A 50 3.048 -15.168 -18.726 1.00 71.41 H new ATOM 0 HG23 ILE A 50 3.648 -13.629 -19.390 1.00 71.41 H new ATOM 0 HD11 ILE A 50 4.814 -12.679 -22.726 1.00 74.43 H new ATOM 0 HD12 ILE A 50 4.114 -12.593 -21.092 1.00 74.43 H new ATOM 0 HD13 ILE A 50 5.746 -13.262 -21.326 1.00 74.43 H new ATOM 804 N GLU A 51 5.410 -17.662 -18.716 1.00 71.32 N ATOM 805 CA GLU A 51 5.276 -18.464 -17.506 1.00 33.41 C ATOM 806 C GLU A 51 6.559 -18.424 -16.681 1.00 41.32 C ATOM 807 O GLU A 51 6.522 -18.252 -15.463 1.00 22.43 O ATOM 808 CB GLU A 51 4.931 -19.912 -17.862 1.00 63.03 C ATOM 809 CG GLU A 51 3.866 -20.037 -18.939 1.00 10.15 C ATOM 810 CD GLU A 51 2.544 -19.419 -18.526 1.00 3.04 C ATOM 811 OE1 GLU A 51 2.477 -18.177 -18.417 1.00 45.22 O ATOM 812 OE2 GLU A 51 1.576 -20.179 -18.311 1.00 43.51 O ATOM 0 H GLU A 51 5.637 -18.197 -19.554 1.00 71.32 H new ATOM 0 HA GLU A 51 4.468 -18.041 -16.909 1.00 33.41 H new ATOM 0 HB2 GLU A 51 5.835 -20.420 -18.196 1.00 63.03 H new ATOM 0 HB3 GLU A 51 4.590 -20.427 -16.964 1.00 63.03 H new ATOM 0 HG2 GLU A 51 4.219 -19.556 -19.851 1.00 10.15 H new ATOM 0 HG3 GLU A 51 3.713 -21.091 -19.173 1.00 10.15 H new ATOM 819 N VAL A 52 7.694 -18.583 -17.355 1.00 72.10 N ATOM 820 CA VAL A 52 8.989 -18.564 -16.686 1.00 62.31 C ATOM 821 C VAL A 52 9.417 -17.138 -16.357 1.00 62.52 C ATOM 822 O VAL A 52 10.317 -16.922 -15.546 1.00 60.14 O ATOM 823 CB VAL A 52 10.077 -19.229 -17.551 1.00 1.42 C ATOM 824 CG1 VAL A 52 9.855 -20.731 -17.627 1.00 24.54 C ATOM 825 CG2 VAL A 52 10.100 -18.614 -18.942 1.00 43.11 C ATOM 0 H VAL A 52 7.742 -18.726 -18.364 1.00 72.10 H new ATOM 0 HA VAL A 52 8.876 -19.128 -15.760 1.00 62.31 H new ATOM 0 HB VAL A 52 11.046 -19.053 -17.084 1.00 1.42 H new ATOM 0 HG11 VAL A 52 10.633 -21.183 -18.242 1.00 24.54 H new ATOM 0 HG12 VAL A 52 9.893 -21.156 -16.624 1.00 24.54 H new ATOM 0 HG13 VAL A 52 8.880 -20.933 -18.070 1.00 24.54 H new ATOM 0 HG21 VAL A 52 10.874 -19.095 -19.540 1.00 43.11 H new ATOM 0 HG22 VAL A 52 9.131 -18.758 -19.420 1.00 43.11 H new ATOM 0 HG23 VAL A 52 10.312 -17.548 -18.865 1.00 43.11 H new ATOM 835 N GLU A 53 8.765 -16.169 -16.992 1.00 63.31 N ATOM 836 CA GLU A 53 9.079 -14.763 -16.766 1.00 64.45 C ATOM 837 C GLU A 53 8.339 -14.230 -15.544 1.00 14.14 C ATOM 838 O GLU A 53 8.950 -13.695 -14.619 1.00 1.25 O ATOM 839 CB GLU A 53 8.716 -13.933 -17.999 1.00 2.40 C ATOM 840 CG GLU A 53 9.822 -13.872 -19.039 1.00 51.24 C ATOM 841 CD GLU A 53 10.702 -12.647 -18.884 1.00 65.10 C ATOM 842 OE1 GLU A 53 10.959 -12.242 -17.731 1.00 32.40 O ATOM 843 OE2 GLU A 53 11.135 -12.094 -19.917 1.00 4.34 O ATOM 0 H GLU A 53 8.017 -16.332 -17.666 1.00 63.31 H new ATOM 0 HA GLU A 53 10.151 -14.681 -16.584 1.00 64.45 H new ATOM 0 HB2 GLU A 53 7.820 -14.352 -18.458 1.00 2.40 H new ATOM 0 HB3 GLU A 53 8.469 -12.919 -17.684 1.00 2.40 H new ATOM 0 HG2 GLU A 53 10.437 -14.769 -18.963 1.00 51.24 H new ATOM 0 HG3 GLU A 53 9.379 -13.873 -20.035 1.00 51.24 H new ATOM 850 N TYR A 54 7.019 -14.379 -15.547 1.00 72.23 N ATOM 851 CA TYR A 54 6.193 -13.910 -14.441 1.00 24.24 C ATOM 852 C TYR A 54 6.171 -14.931 -13.307 1.00 70.00 C ATOM 853 O TYR A 54 5.946 -14.584 -12.148 1.00 61.23 O ATOM 854 CB TYR A 54 4.768 -13.634 -14.921 1.00 72.04 C ATOM 855 CG TYR A 54 4.521 -12.187 -15.285 1.00 21.21 C ATOM 856 CD1 TYR A 54 4.785 -11.168 -14.378 1.00 63.10 C ATOM 857 CD2 TYR A 54 4.023 -11.839 -16.534 1.00 71.33 C ATOM 858 CE1 TYR A 54 4.561 -9.845 -14.705 1.00 52.23 C ATOM 859 CE2 TYR A 54 3.797 -10.519 -16.871 1.00 13.23 C ATOM 860 CZ TYR A 54 4.067 -9.525 -15.953 1.00 30.21 C ATOM 861 OH TYR A 54 3.842 -8.209 -16.284 1.00 13.43 O ATOM 0 H TYR A 54 6.498 -14.821 -16.304 1.00 72.23 H new ATOM 0 HA TYR A 54 6.627 -12.984 -14.064 1.00 24.24 H new ATOM 0 HB2 TYR A 54 4.559 -14.259 -15.789 1.00 72.04 H new ATOM 0 HB3 TYR A 54 4.067 -13.928 -14.140 1.00 72.04 H new ATOM 0 HD1 TYR A 54 5.172 -11.415 -13.400 1.00 63.10 H new ATOM 0 HD2 TYR A 54 3.809 -12.615 -17.254 1.00 71.33 H new ATOM 0 HE1 TYR A 54 4.771 -9.065 -13.988 1.00 52.23 H new ATOM 0 HE2 TYR A 54 3.411 -10.266 -17.848 1.00 13.23 H new ATOM 0 HH TYR A 54 3.495 -8.157 -17.199 1.00 13.43 H new ATOM 871 N GLY A 55 6.407 -16.194 -13.651 1.00 52.53 N ATOM 872 CA GLY A 55 6.410 -17.247 -12.653 1.00 10.43 C ATOM 873 C GLY A 55 5.015 -17.595 -12.173 1.00 71.12 C ATOM 874 O GLY A 55 4.808 -17.867 -10.990 1.00 50.32 O ATOM 0 H GLY A 55 6.596 -16.506 -14.603 1.00 52.53 H new ATOM 0 HA2 GLY A 55 6.880 -18.138 -13.070 1.00 10.43 H new ATOM 0 HA3 GLY A 55 7.016 -16.935 -11.802 1.00 10.43 H new ATOM 878 N ILE A 56 4.056 -17.586 -13.093 1.00 34.05 N ATOM 879 CA ILE A 56 2.673 -17.903 -12.756 1.00 62.14 C ATOM 880 C ILE A 56 2.177 -19.107 -13.550 1.00 54.32 C ATOM 881 O ILE A 56 2.910 -19.676 -14.358 1.00 44.14 O ATOM 882 CB ILE A 56 1.741 -16.707 -13.022 1.00 55.35 C ATOM 883 CG1 ILE A 56 2.046 -16.088 -14.388 1.00 75.13 C ATOM 884 CG2 ILE A 56 1.884 -15.668 -11.920 1.00 42.24 C ATOM 885 CD1 ILE A 56 0.998 -15.101 -14.852 1.00 12.41 C ATOM 0 H ILE A 56 4.211 -17.363 -14.076 1.00 34.05 H new ATOM 0 HA ILE A 56 2.653 -18.139 -11.692 1.00 62.14 H new ATOM 0 HB ILE A 56 0.711 -17.063 -13.027 1.00 55.35 H new ATOM 0 HG12 ILE A 56 3.012 -15.585 -14.342 1.00 75.13 H new ATOM 0 HG13 ILE A 56 2.136 -16.884 -15.127 1.00 75.13 H new ATOM 0 HG21 ILE A 56 1.219 -14.829 -12.123 1.00 42.24 H new ATOM 0 HG22 ILE A 56 1.622 -16.116 -10.961 1.00 42.24 H new ATOM 0 HG23 ILE A 56 2.914 -15.314 -11.885 1.00 42.24 H new ATOM 0 HD11 ILE A 56 1.280 -14.703 -15.827 1.00 12.41 H new ATOM 0 HD12 ILE A 56 0.034 -15.604 -14.930 1.00 12.41 H new ATOM 0 HD13 ILE A 56 0.924 -14.284 -14.134 1.00 12.41 H new ATOM 897 N ASP A 57 0.926 -19.488 -13.315 1.00 51.04 N ATOM 898 CA ASP A 57 0.329 -20.623 -14.011 1.00 2.44 C ATOM 899 C ASP A 57 -0.829 -20.170 -14.895 1.00 21.34 C ATOM 900 O ASP A 57 -1.670 -19.375 -14.474 1.00 30.53 O ATOM 901 CB ASP A 57 -0.159 -21.666 -13.004 1.00 5.31 C ATOM 902 CG ASP A 57 -0.790 -22.868 -13.677 1.00 34.43 C ATOM 903 OD1 ASP A 57 -0.338 -23.237 -14.781 1.00 42.31 O ATOM 904 OD2 ASP A 57 -1.737 -23.442 -13.098 1.00 42.15 O ATOM 0 H ASP A 57 0.306 -19.028 -12.648 1.00 51.04 H new ATOM 0 HA ASP A 57 1.093 -21.072 -14.646 1.00 2.44 H new ATOM 0 HB2 ASP A 57 0.680 -21.995 -12.391 1.00 5.31 H new ATOM 0 HB3 ASP A 57 -0.884 -21.207 -12.332 1.00 5.31 H new ATOM 909 N ILE A 58 -0.865 -20.681 -16.121 1.00 2.32 N ATOM 910 CA ILE A 58 -1.919 -20.329 -17.064 1.00 34.05 C ATOM 911 C ILE A 58 -2.289 -21.518 -17.943 1.00 74.33 C ATOM 912 O ILE A 58 -1.658 -21.786 -18.966 1.00 10.01 O ATOM 913 CB ILE A 58 -1.501 -19.150 -17.962 1.00 71.43 C ATOM 914 CG1 ILE A 58 -1.211 -17.911 -17.113 1.00 62.12 C ATOM 915 CG2 ILE A 58 -2.586 -18.855 -18.987 1.00 41.22 C ATOM 916 CD1 ILE A 58 0.221 -17.831 -16.631 1.00 53.32 C ATOM 0 H ILE A 58 -0.176 -21.340 -16.484 1.00 2.32 H new ATOM 0 HA ILE A 58 -2.786 -20.034 -16.473 1.00 34.05 H new ATOM 0 HB ILE A 58 -0.590 -19.423 -18.494 1.00 71.43 H new ATOM 0 HG12 ILE A 58 -1.440 -17.019 -17.696 1.00 62.12 H new ATOM 0 HG13 ILE A 58 -1.877 -17.908 -16.250 1.00 62.12 H new ATOM 0 HG21 ILE A 58 -2.276 -18.019 -19.614 1.00 41.22 H new ATOM 0 HG22 ILE A 58 -2.748 -19.735 -19.609 1.00 41.22 H new ATOM 0 HG23 ILE A 58 -3.512 -18.599 -18.473 1.00 41.22 H new ATOM 0 HD11 ILE A 58 0.355 -16.928 -16.036 1.00 53.32 H new ATOM 0 HD12 ILE A 58 0.449 -18.705 -16.021 1.00 53.32 H new ATOM 0 HD13 ILE A 58 0.893 -17.803 -17.489 1.00 53.32 H new ATOM 928 N PRO A 59 -3.339 -22.249 -17.539 1.00 63.52 N ATOM 929 CA PRO A 59 -3.819 -23.421 -18.278 1.00 24.21 C ATOM 930 C PRO A 59 -4.468 -23.044 -19.605 1.00 41.10 C ATOM 931 O PRO A 59 -4.818 -21.885 -19.828 1.00 54.01 O ATOM 932 CB PRO A 59 -4.853 -24.037 -17.333 1.00 20.34 C ATOM 933 CG PRO A 59 -5.322 -22.900 -16.492 1.00 34.51 C ATOM 934 CD PRO A 59 -4.138 -21.988 -16.330 1.00 61.33 C ATOM 0 HA PRO A 59 -3.006 -24.097 -18.542 1.00 24.21 H new ATOM 0 HB2 PRO A 59 -5.677 -24.486 -17.887 1.00 20.34 H new ATOM 0 HB3 PRO A 59 -4.412 -24.825 -16.723 1.00 20.34 H new ATOM 0 HG2 PRO A 59 -6.153 -22.380 -16.968 1.00 34.51 H new ATOM 0 HG3 PRO A 59 -5.679 -23.252 -15.524 1.00 34.51 H new ATOM 0 HD2 PRO A 59 -4.441 -20.943 -16.267 1.00 61.33 H new ATOM 0 HD3 PRO A 59 -3.578 -22.213 -15.422 1.00 61.33 H new ATOM 942 N ASP A 60 -4.626 -24.029 -20.482 1.00 44.12 N ATOM 943 CA ASP A 60 -5.235 -23.800 -21.787 1.00 64.24 C ATOM 944 C ASP A 60 -6.570 -23.076 -21.645 1.00 23.13 C ATOM 945 O ASP A 60 -6.943 -22.269 -22.496 1.00 15.12 O ATOM 946 CB ASP A 60 -5.436 -25.128 -22.520 1.00 0.23 C ATOM 947 CG ASP A 60 -5.793 -24.935 -23.980 1.00 53.13 C ATOM 948 OD1 ASP A 60 -5.497 -23.851 -24.526 1.00 22.20 O ATOM 949 OD2 ASP A 60 -6.369 -25.868 -24.578 1.00 42.11 O ATOM 0 H ASP A 60 -4.341 -24.994 -20.313 1.00 44.12 H new ATOM 0 HA ASP A 60 -4.562 -23.171 -22.369 1.00 64.24 H new ATOM 0 HB2 ASP A 60 -4.525 -25.721 -22.447 1.00 0.23 H new ATOM 0 HB3 ASP A 60 -6.226 -25.695 -22.028 1.00 0.23 H new ATOM 954 N ASP A 61 -7.284 -23.371 -20.564 1.00 73.35 N ATOM 955 CA ASP A 61 -8.578 -22.749 -20.310 1.00 52.40 C ATOM 956 C ASP A 61 -8.438 -21.234 -20.189 1.00 31.44 C ATOM 957 O ASP A 61 -9.312 -20.485 -20.621 1.00 54.55 O ATOM 958 CB ASP A 61 -9.201 -23.319 -19.035 1.00 60.50 C ATOM 959 CG ASP A 61 -9.644 -24.760 -19.202 1.00 12.32 C ATOM 960 OD1 ASP A 61 -9.675 -25.242 -20.354 1.00 13.42 O ATOM 961 OD2 ASP A 61 -9.959 -25.405 -18.180 1.00 72.15 O ATOM 0 H ASP A 61 -6.988 -24.037 -19.850 1.00 73.35 H new ATOM 0 HA ASP A 61 -9.231 -22.970 -21.154 1.00 52.40 H new ATOM 0 HB2 ASP A 61 -8.479 -23.256 -18.221 1.00 60.50 H new ATOM 0 HB3 ASP A 61 -10.058 -22.709 -18.749 1.00 60.50 H new ATOM 966 N GLU A 62 -7.333 -20.793 -19.596 1.00 10.00 N ATOM 967 CA GLU A 62 -7.080 -19.368 -19.416 1.00 75.13 C ATOM 968 C GLU A 62 -6.008 -18.879 -20.385 1.00 62.24 C ATOM 969 O GLU A 62 -5.496 -17.768 -20.252 1.00 24.31 O ATOM 970 CB GLU A 62 -6.651 -19.081 -17.976 1.00 30.31 C ATOM 971 CG GLU A 62 -7.547 -19.729 -16.933 1.00 64.13 C ATOM 972 CD GLU A 62 -8.972 -19.214 -16.988 1.00 21.44 C ATOM 973 OE1 GLU A 62 -9.164 -17.987 -16.859 1.00 40.01 O ATOM 974 OE2 GLU A 62 -9.895 -20.038 -17.158 1.00 63.02 O ATOM 0 H GLU A 62 -6.599 -21.401 -19.232 1.00 10.00 H new ATOM 0 HA GLU A 62 -8.006 -18.832 -19.625 1.00 75.13 H new ATOM 0 HB2 GLU A 62 -5.629 -19.432 -17.833 1.00 30.31 H new ATOM 0 HB3 GLU A 62 -6.643 -18.003 -17.816 1.00 30.31 H new ATOM 0 HG2 GLU A 62 -7.549 -20.809 -17.081 1.00 64.13 H new ATOM 0 HG3 GLU A 62 -7.136 -19.544 -15.941 1.00 64.13 H new ATOM 981 N ALA A 63 -5.673 -19.718 -21.360 1.00 60.03 N ATOM 982 CA ALA A 63 -4.663 -19.372 -22.353 1.00 0.34 C ATOM 983 C ALA A 63 -5.057 -18.115 -23.121 1.00 62.03 C ATOM 984 O ALA A 63 -4.207 -17.433 -23.695 1.00 61.23 O ATOM 985 CB ALA A 63 -4.445 -20.533 -23.312 1.00 13.25 C ATOM 0 H ALA A 63 -6.086 -20.642 -21.483 1.00 60.03 H new ATOM 0 HA ALA A 63 -3.729 -19.169 -21.829 1.00 0.34 H new ATOM 0 HB1 ALA A 63 -3.688 -20.260 -24.048 1.00 13.25 H new ATOM 0 HB2 ALA A 63 -4.110 -21.408 -22.754 1.00 13.25 H new ATOM 0 HB3 ALA A 63 -5.380 -20.764 -23.822 1.00 13.25 H new ATOM 991 N THR A 64 -6.352 -17.813 -23.130 1.00 24.32 N ATOM 992 CA THR A 64 -6.858 -16.640 -23.830 1.00 13.44 C ATOM 993 C THR A 64 -7.266 -15.547 -22.848 1.00 22.24 C ATOM 994 O THR A 64 -7.933 -14.581 -23.219 1.00 31.43 O ATOM 995 CB THR A 64 -8.067 -16.993 -24.717 1.00 44.02 C ATOM 996 OG1 THR A 64 -8.519 -15.828 -25.416 1.00 2.43 O ATOM 997 CG2 THR A 64 -9.203 -17.563 -23.882 1.00 52.12 C ATOM 0 H THR A 64 -7.069 -18.365 -22.660 1.00 24.32 H new ATOM 0 HA THR A 64 -6.048 -16.275 -24.461 1.00 13.44 H new ATOM 0 HB THR A 64 -7.753 -17.748 -25.437 1.00 44.02 H new ATOM 0 HG1 THR A 64 -8.578 -15.074 -24.792 1.00 2.43 H new ATOM 0 HG21 THR A 64 -10.045 -17.805 -24.530 1.00 52.12 H new ATOM 0 HG22 THR A 64 -8.864 -18.467 -23.375 1.00 52.12 H new ATOM 0 HG23 THR A 64 -9.515 -16.827 -23.141 1.00 52.12 H new ATOM 1005 N LYS A 65 -6.860 -15.705 -21.592 1.00 61.23 N ATOM 1006 CA LYS A 65 -7.181 -14.731 -20.556 1.00 23.34 C ATOM 1007 C LYS A 65 -5.972 -13.858 -20.237 1.00 5.13 C ATOM 1008 O LYS A 65 -6.026 -13.007 -19.349 1.00 12.35 O ATOM 1009 CB LYS A 65 -7.657 -15.444 -19.288 1.00 13.42 C ATOM 1010 CG LYS A 65 -9.160 -15.663 -19.241 1.00 44.43 C ATOM 1011 CD LYS A 65 -9.854 -14.594 -18.414 1.00 4.40 C ATOM 1012 CE LYS A 65 -10.827 -13.782 -19.255 1.00 72.41 C ATOM 1013 NZ LYS A 65 -11.831 -13.074 -18.413 1.00 70.43 N ATOM 0 H LYS A 65 -6.308 -16.499 -21.268 1.00 61.23 H new ATOM 0 HA LYS A 65 -7.981 -14.091 -20.929 1.00 23.34 H new ATOM 0 HB2 LYS A 65 -7.155 -16.409 -19.214 1.00 13.42 H new ATOM 0 HB3 LYS A 65 -7.356 -14.860 -18.418 1.00 13.42 H new ATOM 0 HG2 LYS A 65 -9.561 -15.658 -20.254 1.00 44.43 H new ATOM 0 HG3 LYS A 65 -9.372 -16.645 -18.819 1.00 44.43 H new ATOM 0 HD2 LYS A 65 -10.389 -15.062 -17.588 1.00 4.40 H new ATOM 0 HD3 LYS A 65 -9.108 -13.930 -17.976 1.00 4.40 H new ATOM 0 HE2 LYS A 65 -10.274 -13.055 -19.849 1.00 72.41 H new ATOM 0 HE3 LYS A 65 -11.340 -14.442 -19.955 1.00 72.41 H new ATOM 0 HZ1 LYS A 65 -12.713 -12.955 -18.951 1.00 70.43 H new ATOM 0 HZ2 LYS A 65 -12.020 -13.632 -17.556 1.00 70.43 H new ATOM 0 HZ3 LYS A 65 -11.462 -12.140 -18.144 1.00 70.43 H new ATOM 1027 N ILE A 66 -4.883 -14.073 -20.967 1.00 63.31 N ATOM 1028 CA ILE A 66 -3.662 -13.304 -20.763 1.00 1.51 C ATOM 1029 C ILE A 66 -2.953 -13.035 -22.086 1.00 74.23 C ATOM 1030 O ILE A 66 -1.796 -12.617 -22.110 1.00 64.22 O ATOM 1031 CB ILE A 66 -2.692 -14.029 -19.812 1.00 5.41 C ATOM 1032 CG1 ILE A 66 -1.885 -15.081 -20.576 1.00 34.13 C ATOM 1033 CG2 ILE A 66 -3.456 -14.670 -18.663 1.00 41.22 C ATOM 1034 CD1 ILE A 66 -2.742 -16.027 -21.388 1.00 15.50 C ATOM 0 H ILE A 66 -4.821 -14.774 -21.705 1.00 63.31 H new ATOM 0 HA ILE A 66 -3.958 -12.356 -20.313 1.00 1.51 H new ATOM 0 HB ILE A 66 -1.999 -13.297 -19.397 1.00 5.41 H new ATOM 0 HG12 ILE A 66 -1.184 -14.577 -21.241 1.00 34.13 H new ATOM 0 HG13 ILE A 66 -1.292 -15.659 -19.867 1.00 34.13 H new ATOM 0 HG21 ILE A 66 -2.756 -15.179 -18.000 1.00 41.22 H new ATOM 0 HG22 ILE A 66 -3.989 -13.900 -18.106 1.00 41.22 H new ATOM 0 HG23 ILE A 66 -4.170 -15.392 -19.059 1.00 41.22 H new ATOM 0 HD11 ILE A 66 -2.104 -16.745 -21.903 1.00 15.50 H new ATOM 0 HD12 ILE A 66 -3.425 -16.558 -20.726 1.00 15.50 H new ATOM 0 HD13 ILE A 66 -3.315 -15.460 -22.122 1.00 15.50 H new ATOM 1046 N LYS A 67 -3.657 -13.277 -23.187 1.00 40.33 N ATOM 1047 CA LYS A 67 -3.098 -13.059 -24.516 1.00 51.32 C ATOM 1048 C LYS A 67 -2.980 -11.568 -24.819 1.00 71.41 C ATOM 1049 O LYS A 67 -1.909 -11.080 -25.181 1.00 70.23 O ATOM 1050 CB LYS A 67 -3.969 -13.738 -25.576 1.00 4.11 C ATOM 1051 CG LYS A 67 -3.249 -13.977 -26.892 1.00 32.31 C ATOM 1052 CD LYS A 67 -3.900 -15.097 -27.687 1.00 44.24 C ATOM 1053 CE LYS A 67 -5.219 -14.652 -28.300 1.00 1.24 C ATOM 1054 NZ LYS A 67 -6.154 -15.795 -28.494 1.00 45.33 N ATOM 0 H LYS A 67 -4.616 -13.624 -23.185 1.00 40.33 H new ATOM 0 HA LYS A 67 -2.100 -13.497 -24.539 1.00 51.32 H new ATOM 0 HB2 LYS A 67 -4.323 -14.692 -25.186 1.00 4.11 H new ATOM 0 HB3 LYS A 67 -4.850 -13.122 -25.760 1.00 4.11 H new ATOM 0 HG2 LYS A 67 -3.253 -13.060 -27.482 1.00 32.31 H new ATOM 0 HG3 LYS A 67 -2.206 -14.226 -26.697 1.00 32.31 H new ATOM 0 HD2 LYS A 67 -3.223 -15.425 -28.476 1.00 44.24 H new ATOM 0 HD3 LYS A 67 -4.071 -15.955 -27.036 1.00 44.24 H new ATOM 0 HE2 LYS A 67 -5.686 -13.906 -27.656 1.00 1.24 H new ATOM 0 HE3 LYS A 67 -5.030 -14.171 -29.260 1.00 1.24 H new ATOM 0 HZ1 LYS A 67 -7.041 -15.451 -28.914 1.00 45.33 H new ATOM 0 HZ2 LYS A 67 -5.720 -16.495 -29.129 1.00 45.33 H new ATOM 0 HZ3 LYS A 67 -6.355 -16.239 -27.575 1.00 45.33 H new ATOM 1068 N THR A 68 -4.088 -10.849 -24.667 1.00 45.42 N ATOM 1069 CA THR A 68 -4.108 -9.414 -24.924 1.00 20.10 C ATOM 1070 C THR A 68 -3.507 -8.638 -23.758 1.00 24.22 C ATOM 1071 O THR A 68 -3.631 -9.041 -22.601 1.00 51.31 O ATOM 1072 CB THR A 68 -5.541 -8.909 -25.177 1.00 70.23 C ATOM 1073 OG1 THR A 68 -6.451 -10.014 -25.209 1.00 34.02 O ATOM 1074 CG2 THR A 68 -5.621 -8.142 -26.489 1.00 23.33 C ATOM 0 H THR A 68 -4.983 -11.237 -24.367 1.00 45.42 H new ATOM 0 HA THR A 68 -3.507 -9.245 -25.818 1.00 20.10 H new ATOM 0 HB THR A 68 -5.814 -8.237 -24.364 1.00 70.23 H new ATOM 0 HG1 THR A 68 -7.360 -9.685 -25.369 1.00 34.02 H new ATOM 0 HG21 THR A 68 -6.642 -7.795 -26.646 1.00 23.33 H new ATOM 0 HG22 THR A 68 -4.949 -7.285 -26.451 1.00 23.33 H new ATOM 0 HG23 THR A 68 -5.329 -8.796 -27.311 1.00 23.33 H new ATOM 1082 N VAL A 69 -2.854 -7.523 -24.069 1.00 13.50 N ATOM 1083 CA VAL A 69 -2.235 -6.689 -23.046 1.00 2.50 C ATOM 1084 C VAL A 69 -3.248 -6.281 -21.982 1.00 45.40 C ATOM 1085 O VAL A 69 -2.887 -6.024 -20.833 1.00 52.23 O ATOM 1086 CB VAL A 69 -1.610 -5.420 -23.658 1.00 35.41 C ATOM 1087 CG1 VAL A 69 -0.836 -4.644 -22.604 1.00 20.22 C ATOM 1088 CG2 VAL A 69 -0.713 -5.782 -24.832 1.00 33.00 C ATOM 0 H VAL A 69 -2.740 -7.176 -25.021 1.00 13.50 H new ATOM 0 HA VAL A 69 -1.448 -7.286 -22.585 1.00 2.50 H new ATOM 0 HB VAL A 69 -2.413 -4.782 -24.027 1.00 35.41 H new ATOM 0 HG11 VAL A 69 -0.402 -3.752 -23.055 1.00 20.22 H new ATOM 0 HG12 VAL A 69 -1.510 -4.353 -21.799 1.00 20.22 H new ATOM 0 HG13 VAL A 69 -0.040 -5.271 -22.202 1.00 20.22 H new ATOM 0 HG21 VAL A 69 -0.280 -4.874 -25.252 1.00 33.00 H new ATOM 0 HG22 VAL A 69 0.085 -6.441 -24.490 1.00 33.00 H new ATOM 0 HG23 VAL A 69 -1.301 -6.291 -25.596 1.00 33.00 H new ATOM 1098 N SER A 70 -4.517 -6.223 -22.372 1.00 61.32 N ATOM 1099 CA SER A 70 -5.583 -5.843 -21.453 1.00 22.25 C ATOM 1100 C SER A 70 -5.943 -7.003 -20.529 1.00 72.24 C ATOM 1101 O SER A 70 -6.258 -6.803 -19.356 1.00 41.32 O ATOM 1102 CB SER A 70 -6.820 -5.393 -22.231 1.00 54.31 C ATOM 1103 OG SER A 70 -7.929 -5.213 -21.367 1.00 10.00 O ATOM 0 H SER A 70 -4.832 -6.434 -23.319 1.00 61.32 H new ATOM 0 HA SER A 70 -5.225 -5.013 -20.843 1.00 22.25 H new ATOM 0 HB2 SER A 70 -6.606 -4.460 -22.752 1.00 54.31 H new ATOM 0 HB3 SER A 70 -7.064 -6.134 -22.992 1.00 54.31 H new ATOM 0 HG SER A 70 -8.707 -4.924 -21.889 1.00 10.00 H new ATOM 1109 N ASP A 71 -5.895 -8.217 -21.068 1.00 41.51 N ATOM 1110 CA ASP A 71 -6.215 -9.410 -20.294 1.00 21.21 C ATOM 1111 C ASP A 71 -5.009 -9.870 -19.481 1.00 0.04 C ATOM 1112 O ASP A 71 -5.152 -10.583 -18.487 1.00 71.25 O ATOM 1113 CB ASP A 71 -6.680 -10.535 -21.220 1.00 31.11 C ATOM 1114 CG ASP A 71 -8.153 -10.853 -21.051 1.00 2.35 C ATOM 1115 OD1 ASP A 71 -8.625 -10.877 -19.895 1.00 11.51 O ATOM 1116 OD2 ASP A 71 -8.833 -11.078 -22.074 1.00 30.24 O ATOM 0 H ASP A 71 -5.638 -8.400 -22.038 1.00 41.51 H new ATOM 0 HA ASP A 71 -7.022 -9.160 -19.605 1.00 21.21 H new ATOM 0 HB2 ASP A 71 -6.489 -10.252 -22.255 1.00 31.11 H new ATOM 0 HB3 ASP A 71 -6.093 -11.431 -21.021 1.00 31.11 H new ATOM 1121 N VAL A 72 -3.820 -9.458 -19.909 1.00 53.55 N ATOM 1122 CA VAL A 72 -2.589 -9.827 -19.221 1.00 50.25 C ATOM 1123 C VAL A 72 -2.589 -9.319 -17.784 1.00 34.42 C ATOM 1124 O VAL A 72 -2.613 -10.107 -16.837 1.00 53.42 O ATOM 1125 CB VAL A 72 -1.351 -9.271 -19.950 1.00 22.51 C ATOM 1126 CG1 VAL A 72 -0.096 -9.499 -19.120 1.00 53.32 C ATOM 1127 CG2 VAL A 72 -1.213 -9.907 -21.325 1.00 43.12 C ATOM 0 H VAL A 72 -3.683 -8.868 -20.730 1.00 53.55 H new ATOM 0 HA VAL A 72 -2.542 -10.916 -19.218 1.00 50.25 H new ATOM 0 HB VAL A 72 -1.480 -8.197 -20.083 1.00 22.51 H new ATOM 0 HG11 VAL A 72 0.769 -9.100 -19.650 1.00 53.32 H new ATOM 0 HG12 VAL A 72 -0.198 -8.993 -18.160 1.00 53.32 H new ATOM 0 HG13 VAL A 72 0.041 -10.568 -18.954 1.00 53.32 H new ATOM 0 HG21 VAL A 72 -0.333 -9.503 -21.826 1.00 43.12 H new ATOM 0 HG22 VAL A 72 -1.106 -10.986 -21.218 1.00 43.12 H new ATOM 0 HG23 VAL A 72 -2.101 -9.688 -21.918 1.00 43.12 H new ATOM 1137 N ILE A 73 -2.563 -8.000 -17.628 1.00 33.21 N ATOM 1138 CA ILE A 73 -2.562 -7.388 -16.305 1.00 54.33 C ATOM 1139 C ILE A 73 -3.897 -7.601 -15.600 1.00 31.45 C ATOM 1140 O ILE A 73 -3.973 -7.581 -14.371 1.00 0.12 O ATOM 1141 CB ILE A 73 -2.272 -5.877 -16.385 1.00 35.14 C ATOM 1142 CG1 ILE A 73 -0.963 -5.626 -17.134 1.00 44.23 C ATOM 1143 CG2 ILE A 73 -2.214 -5.275 -14.989 1.00 32.03 C ATOM 1144 CD1 ILE A 73 0.235 -6.296 -16.499 1.00 65.10 C ATOM 0 H ILE A 73 -2.542 -7.335 -18.401 1.00 33.21 H new ATOM 0 HA ILE A 73 -1.771 -7.872 -15.733 1.00 54.33 H new ATOM 0 HB ILE A 73 -3.081 -5.395 -16.934 1.00 35.14 H new ATOM 0 HG12 ILE A 73 -1.067 -5.981 -18.159 1.00 44.23 H new ATOM 0 HG13 ILE A 73 -0.784 -4.552 -17.185 1.00 44.23 H new ATOM 0 HG21 ILE A 73 -2.008 -4.207 -15.062 1.00 32.03 H new ATOM 0 HG22 ILE A 73 -3.170 -5.427 -14.487 1.00 32.03 H new ATOM 0 HG23 ILE A 73 -1.422 -5.759 -14.417 1.00 32.03 H new ATOM 0 HD11 ILE A 73 1.128 -6.075 -17.084 1.00 65.10 H new ATOM 0 HD12 ILE A 73 0.365 -5.923 -15.483 1.00 65.10 H new ATOM 0 HD13 ILE A 73 0.077 -7.374 -16.472 1.00 65.10 H new ATOM 1156 N LYS A 74 -4.949 -7.808 -16.385 1.00 22.42 N ATOM 1157 CA LYS A 74 -6.282 -8.030 -15.837 1.00 3.43 C ATOM 1158 C LYS A 74 -6.375 -9.397 -15.167 1.00 63.14 C ATOM 1159 O LYS A 74 -6.882 -9.520 -14.052 1.00 42.12 O ATOM 1160 CB LYS A 74 -7.335 -7.918 -16.942 1.00 22.14 C ATOM 1161 CG LYS A 74 -8.745 -8.233 -16.472 1.00 44.31 C ATOM 1162 CD LYS A 74 -9.090 -9.697 -16.687 1.00 12.30 C ATOM 1163 CE LYS A 74 -9.662 -10.325 -15.426 1.00 34.33 C ATOM 1164 NZ LYS A 74 -10.419 -11.573 -15.722 1.00 71.20 N ATOM 0 H LYS A 74 -4.904 -7.827 -17.404 1.00 22.42 H new ATOM 0 HA LYS A 74 -6.471 -7.264 -15.085 1.00 3.43 H new ATOM 0 HB2 LYS A 74 -7.314 -6.908 -17.351 1.00 22.14 H new ATOM 0 HB3 LYS A 74 -7.071 -8.596 -17.754 1.00 22.14 H new ATOM 0 HG2 LYS A 74 -8.840 -7.987 -15.414 1.00 44.31 H new ATOM 0 HG3 LYS A 74 -9.457 -7.608 -17.010 1.00 44.31 H new ATOM 0 HD2 LYS A 74 -9.812 -9.787 -17.499 1.00 12.30 H new ATOM 0 HD3 LYS A 74 -8.197 -10.241 -16.993 1.00 12.30 H new ATOM 0 HE2 LYS A 74 -8.852 -10.548 -14.732 1.00 34.33 H new ATOM 0 HE3 LYS A 74 -10.319 -9.610 -14.930 1.00 34.33 H new ATOM 0 HZ1 LYS A 74 -10.764 -11.989 -14.833 1.00 71.20 H new ATOM 0 HZ2 LYS A 74 -11.228 -11.351 -16.337 1.00 71.20 H new ATOM 0 HZ3 LYS A 74 -9.795 -12.252 -16.202 1.00 71.20 H new ATOM 1178 N TYR A 75 -5.881 -10.421 -15.854 1.00 73.51 N ATOM 1179 CA TYR A 75 -5.910 -11.780 -15.326 1.00 62.31 C ATOM 1180 C TYR A 75 -4.774 -12.002 -14.332 1.00 31.41 C ATOM 1181 O TYR A 75 -5.007 -12.360 -13.177 1.00 23.41 O ATOM 1182 CB TYR A 75 -5.810 -12.795 -16.466 1.00 72.13 C ATOM 1183 CG TYR A 75 -5.764 -14.231 -15.996 1.00 75.42 C ATOM 1184 CD1 TYR A 75 -4.558 -14.839 -15.673 1.00 62.51 C ATOM 1185 CD2 TYR A 75 -6.929 -14.980 -15.874 1.00 64.22 C ATOM 1186 CE1 TYR A 75 -4.512 -16.152 -15.244 1.00 45.31 C ATOM 1187 CE2 TYR A 75 -6.892 -16.293 -15.444 1.00 50.34 C ATOM 1188 CZ TYR A 75 -5.681 -16.874 -15.131 1.00 71.01 C ATOM 1189 OH TYR A 75 -5.639 -18.181 -14.703 1.00 34.04 O ATOM 0 H TYR A 75 -5.456 -10.336 -16.777 1.00 73.51 H new ATOM 0 HA TYR A 75 -6.857 -11.920 -14.806 1.00 62.31 H new ATOM 0 HB2 TYR A 75 -6.664 -12.667 -17.131 1.00 72.13 H new ATOM 0 HB3 TYR A 75 -4.915 -12.584 -17.051 1.00 72.13 H new ATOM 0 HD1 TYR A 75 -3.640 -14.276 -15.759 1.00 62.51 H new ATOM 0 HD2 TYR A 75 -7.879 -14.528 -16.119 1.00 64.22 H new ATOM 0 HE1 TYR A 75 -3.565 -16.610 -14.999 1.00 45.31 H new ATOM 0 HE2 TYR A 75 -7.806 -16.861 -15.354 1.00 50.34 H new ATOM 0 HH TYR A 75 -6.470 -18.397 -14.230 1.00 34.04 H new ATOM 1199 N ILE A 76 -3.545 -11.787 -14.790 1.00 15.44 N ATOM 1200 CA ILE A 76 -2.373 -11.961 -13.941 1.00 72.11 C ATOM 1201 C ILE A 76 -2.534 -11.216 -12.621 1.00 15.44 C ATOM 1202 O ILE A 76 -1.937 -11.585 -11.609 1.00 54.12 O ATOM 1203 CB ILE A 76 -1.093 -11.470 -14.642 1.00 2.11 C ATOM 1204 CG1 ILE A 76 -0.822 -12.301 -15.898 1.00 11.40 C ATOM 1205 CG2 ILE A 76 0.092 -11.538 -13.690 1.00 33.24 C ATOM 1206 CD1 ILE A 76 0.456 -11.919 -16.611 1.00 40.42 C ATOM 0 H ILE A 76 -3.335 -11.492 -15.744 1.00 15.44 H new ATOM 0 HA ILE A 76 -2.283 -13.029 -13.743 1.00 72.11 H new ATOM 0 HB ILE A 76 -1.236 -10.431 -14.940 1.00 2.11 H new ATOM 0 HG12 ILE A 76 -0.774 -13.355 -15.623 1.00 11.40 H new ATOM 0 HG13 ILE A 76 -1.660 -12.189 -16.586 1.00 11.40 H new ATOM 0 HG21 ILE A 76 0.989 -11.188 -14.200 1.00 33.24 H new ATOM 0 HG22 ILE A 76 -0.102 -10.907 -12.822 1.00 33.24 H new ATOM 0 HG23 ILE A 76 0.239 -12.568 -13.364 1.00 33.24 H new ATOM 0 HD11 ILE A 76 0.584 -12.549 -17.491 1.00 40.42 H new ATOM 0 HD12 ILE A 76 0.404 -10.874 -16.917 1.00 40.42 H new ATOM 0 HD13 ILE A 76 1.303 -12.058 -15.939 1.00 40.42 H new ATOM 1218 N LYS A 77 -3.347 -10.165 -12.636 1.00 52.44 N ATOM 1219 CA LYS A 77 -3.591 -9.367 -11.440 1.00 71.42 C ATOM 1220 C LYS A 77 -3.960 -10.258 -10.258 1.00 73.45 C ATOM 1221 O LYS A 77 -3.256 -10.290 -9.250 1.00 0.30 O ATOM 1222 CB LYS A 77 -4.709 -8.354 -11.697 1.00 5.21 C ATOM 1223 CG LYS A 77 -5.450 -7.935 -10.439 1.00 52.45 C ATOM 1224 CD LYS A 77 -5.986 -6.518 -10.555 1.00 15.45 C ATOM 1225 CE LYS A 77 -7.156 -6.441 -11.524 1.00 33.33 C ATOM 1226 NZ LYS A 77 -7.456 -5.038 -11.921 1.00 54.04 N ATOM 0 H LYS A 77 -3.849 -9.846 -13.465 1.00 52.44 H new ATOM 0 HA LYS A 77 -2.673 -8.832 -11.197 1.00 71.42 H new ATOM 0 HB2 LYS A 77 -4.284 -7.469 -12.170 1.00 5.21 H new ATOM 0 HB3 LYS A 77 -5.421 -8.782 -12.403 1.00 5.21 H new ATOM 0 HG2 LYS A 77 -6.275 -8.623 -10.255 1.00 52.45 H new ATOM 0 HG3 LYS A 77 -4.781 -8.003 -9.581 1.00 52.45 H new ATOM 0 HD2 LYS A 77 -6.302 -6.166 -9.573 1.00 15.45 H new ATOM 0 HD3 LYS A 77 -5.190 -5.853 -10.891 1.00 15.45 H new ATOM 0 HE2 LYS A 77 -6.930 -7.030 -12.413 1.00 33.33 H new ATOM 0 HE3 LYS A 77 -8.039 -6.885 -11.064 1.00 33.33 H new ATOM 0 HZ1 LYS A 77 -8.259 -5.028 -12.582 1.00 54.04 H new ATOM 0 HZ2 LYS A 77 -7.696 -4.482 -11.076 1.00 54.04 H new ATOM 0 HZ3 LYS A 77 -6.622 -4.622 -12.384 1.00 54.04 H new ATOM 1240 N GLU A 78 -5.068 -10.982 -10.392 1.00 4.23 N ATOM 1241 CA GLU A 78 -5.528 -11.874 -9.334 1.00 55.31 C ATOM 1242 C GLU A 78 -4.695 -13.152 -9.299 1.00 14.33 C ATOM 1243 O GLU A 78 -4.718 -13.893 -8.316 1.00 3.22 O ATOM 1244 CB GLU A 78 -7.005 -12.220 -9.536 1.00 12.12 C ATOM 1245 CG GLU A 78 -7.957 -11.184 -8.962 1.00 31.15 C ATOM 1246 CD GLU A 78 -9.381 -11.695 -8.858 1.00 12.42 C ATOM 1247 OE1 GLU A 78 -9.996 -11.957 -9.912 1.00 53.03 O ATOM 1248 OE2 GLU A 78 -9.880 -11.832 -7.721 1.00 52.11 O ATOM 0 H GLU A 78 -5.662 -10.968 -11.221 1.00 4.23 H new ATOM 0 HA GLU A 78 -5.410 -11.358 -8.381 1.00 55.31 H new ATOM 0 HB2 GLU A 78 -7.201 -12.330 -10.603 1.00 12.12 H new ATOM 0 HB3 GLU A 78 -7.210 -13.185 -9.073 1.00 12.12 H new ATOM 0 HG2 GLU A 78 -7.609 -10.885 -7.973 1.00 31.15 H new ATOM 0 HG3 GLU A 78 -7.940 -10.293 -9.589 1.00 31.15 H new ATOM 1255 N ARG A 79 -3.962 -13.403 -10.378 1.00 41.11 N ATOM 1256 CA ARG A 79 -3.123 -14.592 -10.472 1.00 40.40 C ATOM 1257 C ARG A 79 -1.890 -14.459 -9.582 1.00 55.12 C ATOM 1258 O ARG A 79 -1.437 -15.435 -8.985 1.00 50.22 O ATOM 1259 CB ARG A 79 -2.695 -14.827 -11.922 1.00 14.21 C ATOM 1260 CG ARG A 79 -2.650 -16.295 -12.313 1.00 54.10 C ATOM 1261 CD ARG A 79 -1.616 -17.057 -11.499 1.00 42.45 C ATOM 1262 NE ARG A 79 -2.222 -17.787 -10.389 1.00 41.23 N ATOM 1263 CZ ARG A 79 -2.862 -18.942 -10.532 1.00 13.21 C ATOM 1264 NH1 ARG A 79 -2.979 -19.495 -11.731 1.00 30.30 N ATOM 1265 NH2 ARG A 79 -3.387 -19.546 -9.473 1.00 51.14 N ATOM 0 H ARG A 79 -3.932 -12.799 -11.200 1.00 41.11 H new ATOM 0 HA ARG A 79 -3.707 -15.446 -10.130 1.00 40.40 H new ATOM 0 HB2 ARG A 79 -3.384 -14.304 -12.585 1.00 14.21 H new ATOM 0 HB3 ARG A 79 -1.709 -14.388 -12.077 1.00 14.21 H new ATOM 0 HG2 ARG A 79 -3.633 -16.742 -12.165 1.00 54.10 H new ATOM 0 HG3 ARG A 79 -2.416 -16.383 -13.374 1.00 54.10 H new ATOM 0 HD2 ARG A 79 -1.088 -17.756 -12.147 1.00 42.45 H new ATOM 0 HD3 ARG A 79 -0.874 -16.359 -11.112 1.00 42.45 H new ATOM 0 HE ARG A 79 -2.150 -17.388 -9.453 1.00 41.23 H new ATOM 0 HH11 ARG A 79 -2.577 -19.033 -12.547 1.00 30.30 H new ATOM 0 HH12 ARG A 79 -3.471 -20.382 -11.838 1.00 30.30 H new ATOM 0 HH21 ARG A 79 -3.299 -19.123 -8.549 1.00 51.14 H new ATOM 0 HH22 ARG A 79 -3.878 -20.433 -9.583 1.00 51.14 H new ATOM 1279 N GLN A 80 -1.354 -13.246 -9.500 1.00 13.52 N ATOM 1280 CA GLN A 80 -0.174 -12.986 -8.684 1.00 61.31 C ATOM 1281 C GLN A 80 -0.458 -13.264 -7.212 1.00 11.14 C ATOM 1282 O GLN A 80 -1.498 -12.869 -6.685 1.00 11.12 O ATOM 1283 CB GLN A 80 0.288 -11.539 -8.863 1.00 14.14 C ATOM 1284 CG GLN A 80 0.936 -11.269 -10.211 1.00 13.10 C ATOM 1285 CD GLN A 80 2.333 -11.848 -10.313 1.00 72.45 C ATOM 1286 OE1 GLN A 80 3.105 -11.811 -9.355 1.00 34.53 O ATOM 1287 NE2 GLN A 80 2.666 -12.389 -11.480 1.00 12.50 N ATOM 0 H GLN A 80 -1.718 -12.428 -9.988 1.00 13.52 H new ATOM 0 HA GLN A 80 0.620 -13.656 -9.014 1.00 61.31 H new ATOM 0 HB2 GLN A 80 -0.568 -10.875 -8.742 1.00 14.14 H new ATOM 0 HB3 GLN A 80 0.997 -11.292 -8.073 1.00 14.14 H new ATOM 0 HG2 GLN A 80 0.313 -11.691 -11.000 1.00 13.10 H new ATOM 0 HG3 GLN A 80 0.979 -10.193 -10.380 1.00 13.10 H new ATOM 0 HE21 GLN A 80 1.995 -12.398 -12.248 1.00 12.50 H new ATOM 0 HE22 GLN A 80 3.593 -12.795 -11.608 1.00 12.50 H new