USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 7 LYS NZ :NH3+ -163:sc= 2.15 (180deg=1.18) USER MOD Set 1.2: A 77 SER OG : rot -150:sc= 0.917 USER MOD Set 2.1: A 64 HIS : no HE2:sc= 0.0144 K(o=0.014,f=-0.54) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -145:sc= 1.28 (180deg=1.03) USER MOD Single : A 13 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 15 MET CE :methyl -114:sc= -0.129 (180deg=-2.27!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 42 SER OG : rot 180:sc= 0.263 USER MOD Single : A 43 MET CE :methyl -169:sc= -0.473 (180deg=-0.886) USER MOD Single : A 44 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.1) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0214) USER MOD Single : A 49 MET CE :methyl -132:sc= -1.11 (180deg=-2.4) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.872 USER MOD Single : A 56 MET CE :methyl 139:sc= -1.8 (180deg=-3.81!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.409 (180deg=-1.52!) USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.41) USER MOD Single : A 74 ASN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 79 THR OG1 : rot 80:sc= -0.103 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= -0.353 (180deg=-0.511) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -0.764 12.324 -2.927 1.00 33.35 N ATOM 40 CA GLU A 4 -1.638 11.377 -3.661 1.00 1.41 C ATOM 41 C GLU A 4 -0.866 10.576 -4.715 1.00 44.31 C ATOM 42 O GLU A 4 -1.207 9.418 -5.007 1.00 31.03 O ATOM 43 CB GLU A 4 -2.859 12.094 -4.277 1.00 73.40 C ATOM 44 CG GLU A 4 -3.801 12.725 -3.218 1.00 5.10 C ATOM 45 CD GLU A 4 -5.279 12.741 -3.643 1.00 35.33 C ATOM 46 OE1 GLU A 4 -5.949 11.688 -3.517 1.00 13.21 O ATOM 47 OE2 GLU A 4 -5.780 13.787 -4.105 1.00 41.43 O ATOM 0 HA GLU A 4 -2.012 10.660 -2.930 1.00 1.41 H new ATOM 0 HB2 GLU A 4 -2.510 12.874 -4.953 1.00 73.40 H new ATOM 0 HB3 GLU A 4 -3.425 11.382 -4.877 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -3.706 12.172 -2.283 1.00 5.10 H new ATOM 0 HG3 GLU A 4 -3.478 13.747 -3.018 1.00 5.10 H new ATOM 54 N GLU A 5 0.174 11.200 -5.268 1.00 13.22 N ATOM 55 CA GLU A 5 1.144 10.523 -6.130 1.00 52.43 C ATOM 56 C GLU A 5 1.919 9.475 -5.328 1.00 5.14 C ATOM 57 O GLU A 5 2.237 8.417 -5.842 1.00 63.50 O ATOM 58 CB GLU A 5 2.116 11.544 -6.762 1.00 0.45 C ATOM 59 CG GLU A 5 3.228 10.907 -7.613 1.00 71.13 C ATOM 60 CD GLU A 5 4.234 11.922 -8.152 1.00 21.24 C ATOM 61 OE1 GLU A 5 5.044 12.438 -7.360 1.00 54.54 O ATOM 62 OE2 GLU A 5 4.225 12.204 -9.364 1.00 20.33 O ATOM 0 H GLU A 5 0.368 12.192 -5.131 1.00 13.22 H new ATOM 0 HA GLU A 5 0.604 10.022 -6.934 1.00 52.43 H new ATOM 0 HB2 GLU A 5 1.547 12.234 -7.385 1.00 0.45 H new ATOM 0 HB3 GLU A 5 2.574 12.134 -5.968 1.00 0.45 H new ATOM 0 HG2 GLU A 5 3.756 10.166 -7.012 1.00 71.13 H new ATOM 0 HG3 GLU A 5 2.776 10.375 -8.450 1.00 71.13 H new ATOM 69 N VAL A 6 2.192 9.764 -4.051 1.00 4.41 N ATOM 70 CA VAL A 6 2.909 8.822 -3.189 1.00 1.33 C ATOM 71 C VAL A 6 2.065 7.559 -2.977 1.00 2.32 C ATOM 72 O VAL A 6 2.604 6.453 -2.932 1.00 75.35 O ATOM 73 CB VAL A 6 3.329 9.461 -1.829 1.00 24.32 C ATOM 74 CG1 VAL A 6 4.232 8.503 -1.029 1.00 75.22 C ATOM 75 CG2 VAL A 6 4.025 10.827 -2.041 1.00 63.44 C ATOM 0 H VAL A 6 1.929 10.638 -3.595 1.00 4.41 H new ATOM 0 HA VAL A 6 3.834 8.547 -3.695 1.00 1.33 H new ATOM 0 HB VAL A 6 2.422 9.637 -1.250 1.00 24.32 H new ATOM 0 HG11 VAL A 6 4.512 8.970 -0.085 1.00 75.22 H new ATOM 0 HG12 VAL A 6 3.693 7.577 -0.830 1.00 75.22 H new ATOM 0 HG13 VAL A 6 5.131 8.283 -1.606 1.00 75.22 H new ATOM 0 HG21 VAL A 6 4.305 11.246 -1.075 1.00 63.44 H new ATOM 0 HG22 VAL A 6 4.919 10.689 -2.650 1.00 63.44 H new ATOM 0 HG23 VAL A 6 3.342 11.509 -2.548 1.00 63.44 H new ATOM 85 N LYS A 7 0.732 7.750 -2.938 1.00 3.14 N ATOM 86 CA LYS A 7 -0.231 6.656 -2.826 1.00 10.13 C ATOM 87 C LYS A 7 -0.246 5.769 -4.081 1.00 34.02 C ATOM 88 O LYS A 7 -0.387 4.544 -3.953 1.00 55.32 O ATOM 89 CB LYS A 7 -1.642 7.188 -2.507 1.00 34.13 C ATOM 90 CG LYS A 7 -1.771 7.805 -1.092 1.00 24.45 C ATOM 91 CD LYS A 7 -3.203 8.255 -0.749 1.00 61.11 C ATOM 92 CE LYS A 7 -3.773 9.275 -1.731 1.00 34.50 C ATOM 93 NZ LYS A 7 -5.169 9.648 -1.410 1.00 14.20 N ATOM 0 H LYS A 7 0.300 8.673 -2.984 1.00 3.14 H new ATOM 0 HA LYS A 7 0.092 6.030 -1.994 1.00 10.13 H new ATOM 0 HB2 LYS A 7 -1.913 7.941 -3.248 1.00 34.13 H new ATOM 0 HB3 LYS A 7 -2.359 6.372 -2.605 1.00 34.13 H new ATOM 0 HG2 LYS A 7 -1.441 7.074 -0.354 1.00 24.45 H new ATOM 0 HG3 LYS A 7 -1.101 8.661 -1.015 1.00 24.45 H new ATOM 0 HD2 LYS A 7 -3.854 7.381 -0.726 1.00 61.11 H new ATOM 0 HD3 LYS A 7 -3.210 8.684 0.253 1.00 61.11 H new ATOM 0 HE2 LYS A 7 -3.150 10.169 -1.724 1.00 34.50 H new ATOM 0 HE3 LYS A 7 -3.732 8.866 -2.740 1.00 34.50 H new ATOM 0 HZ1 LYS A 7 -5.606 10.102 -2.237 1.00 14.20 H new ATOM 0 HZ2 LYS A 7 -5.708 8.794 -1.159 1.00 14.20 H new ATOM 0 HZ3 LYS A 7 -5.176 10.310 -0.608 1.00 14.20 H new ATOM 107 N GLU A 8 -0.113 6.361 -5.296 1.00 64.13 N ATOM 108 CA GLU A 8 0.011 5.541 -6.523 1.00 45.41 C ATOM 109 C GLU A 8 1.375 4.843 -6.563 1.00 2.40 C ATOM 110 O GLU A 8 1.461 3.696 -6.984 1.00 52.34 O ATOM 111 CB GLU A 8 -0.261 6.316 -7.848 1.00 12.32 C ATOM 112 CG GLU A 8 0.781 7.386 -8.223 1.00 34.32 C ATOM 113 CD GLU A 8 0.749 7.815 -9.699 1.00 24.51 C ATOM 114 OE1 GLU A 8 -0.191 8.530 -10.094 1.00 72.51 O ATOM 115 OE2 GLU A 8 1.671 7.442 -10.463 1.00 1.00 O ATOM 0 H GLU A 8 -0.090 7.369 -5.448 1.00 64.13 H new ATOM 0 HA GLU A 8 -0.781 4.794 -6.463 1.00 45.41 H new ATOM 0 HB2 GLU A 8 -0.323 5.595 -8.663 1.00 12.32 H new ATOM 0 HB3 GLU A 8 -1.237 6.796 -7.772 1.00 12.32 H new ATOM 0 HG2 GLU A 8 0.622 8.265 -7.598 1.00 34.32 H new ATOM 0 HG3 GLU A 8 1.775 7.005 -7.990 1.00 34.32 H new ATOM 122 N LYS A 9 2.426 5.529 -6.053 1.00 1.00 N ATOM 123 CA LYS A 9 3.796 4.978 -5.992 1.00 15.10 C ATOM 124 C LYS A 9 3.865 3.742 -5.087 1.00 34.24 C ATOM 125 O LYS A 9 4.793 2.953 -5.207 1.00 32.33 O ATOM 126 CB LYS A 9 4.820 6.028 -5.497 1.00 42.42 C ATOM 127 CG LYS A 9 5.054 7.229 -6.436 1.00 21.03 C ATOM 128 CD LYS A 9 6.251 8.098 -5.988 1.00 45.50 C ATOM 129 CE LYS A 9 6.142 8.569 -4.531 1.00 51.32 C ATOM 130 NZ LYS A 9 7.327 9.329 -4.102 1.00 64.12 N ATOM 0 H LYS A 9 2.346 6.473 -5.675 1.00 1.00 H new ATOM 0 HA LYS A 9 4.055 4.690 -7.011 1.00 15.10 H new ATOM 0 HB2 LYS A 9 4.487 6.406 -4.530 1.00 42.42 H new ATOM 0 HB3 LYS A 9 5.774 5.528 -5.332 1.00 42.42 H new ATOM 0 HG2 LYS A 9 5.230 6.867 -7.449 1.00 21.03 H new ATOM 0 HG3 LYS A 9 4.154 7.843 -6.469 1.00 21.03 H new ATOM 0 HD2 LYS A 9 7.172 7.528 -6.111 1.00 45.50 H new ATOM 0 HD3 LYS A 9 6.325 8.968 -6.640 1.00 45.50 H new ATOM 0 HE2 LYS A 9 5.253 9.190 -4.417 1.00 51.32 H new ATOM 0 HE3 LYS A 9 6.012 7.704 -3.880 1.00 51.32 H new ATOM 0 HZ1 LYS A 9 7.524 9.128 -3.101 1.00 64.12 H new ATOM 0 HZ2 LYS A 9 8.146 9.050 -4.679 1.00 64.12 H new ATOM 0 HZ3 LYS A 9 7.149 10.347 -4.223 1.00 64.12 H new ATOM 144 N ILE A 10 2.891 3.605 -4.174 1.00 2.21 N ATOM 145 CA ILE A 10 2.723 2.384 -3.380 1.00 74.13 C ATOM 146 C ILE A 10 2.432 1.191 -4.328 1.00 34.22 C ATOM 147 O ILE A 10 3.042 0.134 -4.224 1.00 2.25 O ATOM 148 CB ILE A 10 1.549 2.531 -2.344 1.00 41.45 C ATOM 149 CG1 ILE A 10 1.674 3.819 -1.475 1.00 3.15 C ATOM 150 CG2 ILE A 10 1.447 1.303 -1.440 1.00 3.55 C ATOM 151 CD1 ILE A 10 2.957 3.962 -0.684 1.00 2.35 C ATOM 0 H ILE A 10 2.205 4.331 -3.969 1.00 2.21 H new ATOM 0 HA ILE A 10 3.644 2.207 -2.825 1.00 74.13 H new ATOM 0 HB ILE A 10 0.636 2.616 -2.933 1.00 41.45 H new ATOM 0 HG12 ILE A 10 1.574 4.686 -2.128 1.00 3.15 H new ATOM 0 HG13 ILE A 10 0.836 3.847 -0.779 1.00 3.15 H new ATOM 0 HG21 ILE A 10 0.626 1.437 -0.736 1.00 3.55 H new ATOM 0 HG22 ILE A 10 1.263 0.418 -2.048 1.00 3.55 H new ATOM 0 HG23 ILE A 10 2.380 1.177 -0.890 1.00 3.55 H new ATOM 0 HD11 ILE A 10 2.934 4.893 -0.118 1.00 2.35 H new ATOM 0 HD12 ILE A 10 3.056 3.122 0.003 1.00 2.35 H new ATOM 0 HD13 ILE A 10 3.806 3.974 -1.367 1.00 2.35 H new ATOM 163 N ARG A 11 1.522 1.432 -5.284 1.00 75.20 N ATOM 164 CA ARG A 11 1.044 0.422 -6.252 1.00 25.43 C ATOM 165 C ARG A 11 2.075 0.143 -7.342 1.00 51.11 C ATOM 166 O ARG A 11 2.220 -1.005 -7.783 1.00 32.13 O ATOM 167 CB ARG A 11 -0.321 0.878 -6.847 1.00 43.32 C ATOM 168 CG ARG A 11 -1.530 0.443 -5.995 1.00 10.43 C ATOM 169 CD ARG A 11 -1.424 0.851 -4.508 1.00 41.45 C ATOM 170 NE ARG A 11 -2.194 -0.039 -3.641 1.00 61.03 N ATOM 171 CZ ARG A 11 -2.293 0.069 -2.313 1.00 51.12 C ATOM 172 NH1 ARG A 11 -1.690 1.050 -1.647 1.00 64.35 N ATOM 173 NH2 ARG A 11 -2.984 -0.841 -1.656 1.00 52.54 N ATOM 0 H ARG A 11 1.089 2.346 -5.412 1.00 75.20 H new ATOM 0 HA ARG A 11 0.898 -0.522 -5.727 1.00 25.43 H new ATOM 0 HB2 ARG A 11 -0.324 1.964 -6.943 1.00 43.32 H new ATOM 0 HB3 ARG A 11 -0.427 0.469 -7.852 1.00 43.32 H new ATOM 0 HG2 ARG A 11 -2.436 0.878 -6.418 1.00 10.43 H new ATOM 0 HG3 ARG A 11 -1.637 -0.640 -6.058 1.00 10.43 H new ATOM 0 HD2 ARG A 11 -0.378 0.839 -4.202 1.00 41.45 H new ATOM 0 HD3 ARG A 11 -1.780 1.874 -4.386 1.00 41.45 H new ATOM 0 HE ARG A 11 -2.697 -0.806 -4.087 1.00 61.03 H new ATOM 0 HH11 ARG A 11 -1.136 1.743 -2.150 1.00 64.35 H new ATOM 0 HH12 ARG A 11 -1.782 1.109 -0.633 1.00 64.35 H new ATOM 0 HH21 ARG A 11 -3.429 -1.607 -2.162 1.00 52.54 H new ATOM 0 HH22 ARG A 11 -3.074 -0.779 -0.642 1.00 52.54 H new ATOM 187 N ARG A 12 2.776 1.202 -7.767 1.00 24.45 N ATOM 188 CA ARG A 12 3.903 1.088 -8.715 1.00 3.40 C ATOM 189 C ARG A 12 4.970 0.177 -8.101 1.00 62.11 C ATOM 190 O ARG A 12 5.279 -0.855 -8.670 1.00 64.35 O ATOM 191 CB ARG A 12 4.507 2.485 -9.070 1.00 41.02 C ATOM 192 CG ARG A 12 3.782 3.283 -10.186 1.00 21.54 C ATOM 193 CD ARG A 12 2.270 3.381 -9.972 1.00 32.02 C ATOM 194 NE ARG A 12 1.638 4.411 -10.812 1.00 53.31 N ATOM 195 CZ ARG A 12 0.480 4.281 -11.456 1.00 5.44 C ATOM 196 NH1 ARG A 12 -0.215 3.146 -11.400 1.00 31.10 N ATOM 197 NH2 ARG A 12 -0.001 5.316 -12.128 1.00 4.23 N ATOM 0 H ARG A 12 2.583 2.158 -7.468 1.00 24.45 H new ATOM 0 HA ARG A 12 3.537 0.658 -9.647 1.00 3.40 H new ATOM 0 HB2 ARG A 12 4.517 3.093 -8.166 1.00 41.02 H new ATOM 0 HB3 ARG A 12 5.545 2.343 -9.370 1.00 41.02 H new ATOM 0 HG2 ARG A 12 4.201 4.288 -10.236 1.00 21.54 H new ATOM 0 HG3 ARG A 12 3.976 2.808 -11.148 1.00 21.54 H new ATOM 0 HD2 ARG A 12 1.814 2.414 -10.187 1.00 32.02 H new ATOM 0 HD3 ARG A 12 2.070 3.602 -8.923 1.00 32.02 H new ATOM 0 HE ARG A 12 2.129 5.300 -10.909 1.00 53.31 H new ATOM 0 HH11 ARG A 12 0.138 2.358 -10.857 1.00 31.10 H new ATOM 0 HH12 ARG A 12 -1.100 3.065 -11.900 1.00 31.10 H new ATOM 0 HH21 ARG A 12 0.514 6.196 -12.147 1.00 4.23 H new ATOM 0 HH22 ARG A 12 -0.887 5.233 -12.627 1.00 4.23 H new ATOM 211 N TYR A 13 5.426 0.556 -6.891 1.00 24.21 N ATOM 212 CA TYR A 13 6.443 -0.179 -6.091 1.00 62.24 C ATOM 213 C TYR A 13 6.197 -1.694 -6.060 1.00 2.32 C ATOM 214 O TYR A 13 7.131 -2.475 -6.244 1.00 42.31 O ATOM 215 CB TYR A 13 6.439 0.400 -4.655 1.00 74.40 C ATOM 216 CG TYR A 13 7.297 -0.337 -3.613 1.00 24.21 C ATOM 217 CD1 TYR A 13 8.679 -0.493 -3.783 1.00 42.51 C ATOM 218 CD2 TYR A 13 6.726 -0.825 -2.433 1.00 54.44 C ATOM 219 CE1 TYR A 13 9.448 -1.115 -2.819 1.00 13.14 C ATOM 220 CE2 TYR A 13 7.490 -1.450 -1.477 1.00 74.12 C ATOM 221 CZ TYR A 13 8.850 -1.586 -1.666 1.00 13.21 C ATOM 222 OH TYR A 13 9.607 -2.200 -0.698 1.00 72.30 O ATOM 0 H TYR A 13 5.094 1.401 -6.426 1.00 24.21 H new ATOM 0 HA TYR A 13 7.416 -0.042 -6.563 1.00 62.24 H new ATOM 0 HB2 TYR A 13 6.777 1.435 -4.704 1.00 74.40 H new ATOM 0 HB3 TYR A 13 5.409 0.418 -4.298 1.00 74.40 H new ATOM 0 HD1 TYR A 13 9.150 -0.121 -4.681 1.00 42.51 H new ATOM 0 HD2 TYR A 13 5.665 -0.708 -2.270 1.00 54.44 H new ATOM 0 HE1 TYR A 13 10.511 -1.233 -2.966 1.00 13.14 H new ATOM 0 HE2 TYR A 13 7.027 -1.834 -0.580 1.00 74.12 H new ATOM 0 HH TYR A 13 9.410 -1.800 0.174 1.00 72.30 H new ATOM 232 N ILE A 14 4.934 -2.081 -5.846 1.00 20.53 N ATOM 233 CA ILE A 14 4.530 -3.491 -5.798 1.00 4.43 C ATOM 234 C ILE A 14 4.897 -4.214 -7.108 1.00 24.51 C ATOM 235 O ILE A 14 5.597 -5.216 -7.091 1.00 61.22 O ATOM 236 CB ILE A 14 2.994 -3.617 -5.481 1.00 14.13 C ATOM 237 CG1 ILE A 14 2.664 -3.027 -4.081 1.00 23.21 C ATOM 238 CG2 ILE A 14 2.504 -5.072 -5.553 1.00 23.11 C ATOM 239 CD1 ILE A 14 3.422 -3.684 -2.938 1.00 42.14 C ATOM 0 H ILE A 14 4.165 -1.427 -5.702 1.00 20.53 H new ATOM 0 HA ILE A 14 5.078 -3.978 -4.991 1.00 4.43 H new ATOM 0 HB ILE A 14 2.471 -3.045 -6.247 1.00 14.13 H new ATOM 0 HG12 ILE A 14 2.888 -1.960 -4.086 1.00 23.21 H new ATOM 0 HG13 ILE A 14 1.594 -3.127 -3.899 1.00 23.21 H new ATOM 0 HG21 ILE A 14 1.438 -5.109 -5.327 1.00 23.11 H new ATOM 0 HG22 ILE A 14 2.676 -5.465 -6.555 1.00 23.11 H new ATOM 0 HG23 ILE A 14 3.050 -5.676 -4.828 1.00 23.11 H new ATOM 0 HD11 ILE A 14 3.136 -3.216 -1.996 1.00 42.14 H new ATOM 0 HD12 ILE A 14 3.180 -4.746 -2.904 1.00 42.14 H new ATOM 0 HD13 ILE A 14 4.494 -3.561 -3.094 1.00 42.14 H new ATOM 251 N MET A 15 4.492 -3.638 -8.230 1.00 13.10 N ATOM 252 CA MET A 15 4.662 -4.249 -9.564 1.00 52.03 C ATOM 253 C MET A 15 6.127 -4.167 -10.034 1.00 10.53 C ATOM 254 O MET A 15 6.668 -5.133 -10.590 1.00 0.32 O ATOM 255 CB MET A 15 3.718 -3.534 -10.549 1.00 63.43 C ATOM 256 CG MET A 15 2.265 -3.492 -10.062 1.00 1.41 C ATOM 257 SD MET A 15 1.497 -5.116 -9.941 1.00 72.12 S ATOM 258 CE MET A 15 1.251 -5.480 -11.669 1.00 34.44 C ATOM 0 H MET A 15 4.032 -2.728 -8.254 1.00 13.10 H new ATOM 0 HA MET A 15 4.408 -5.308 -9.517 1.00 52.03 H new ATOM 0 HB2 MET A 15 4.072 -2.515 -10.708 1.00 63.43 H new ATOM 0 HB3 MET A 15 3.758 -4.040 -11.514 1.00 63.43 H new ATOM 0 HG2 MET A 15 2.232 -3.010 -9.085 1.00 1.41 H new ATOM 0 HG3 MET A 15 1.680 -2.873 -10.742 1.00 1.41 H new ATOM 0 HE1 MET A 15 0.183 -5.519 -11.884 1.00 34.44 H new ATOM 0 HE2 MET A 15 1.715 -4.702 -12.274 1.00 34.44 H new ATOM 0 HE3 MET A 15 1.704 -6.443 -11.906 1.00 34.44 H new ATOM 268 N GLU A 16 6.767 -3.017 -9.748 1.00 64.24 N ATOM 269 CA GLU A 16 8.150 -2.737 -10.157 1.00 63.22 C ATOM 270 C GLU A 16 9.137 -3.666 -9.442 1.00 4.11 C ATOM 271 O GLU A 16 10.128 -4.081 -10.022 1.00 71.43 O ATOM 272 CB GLU A 16 8.554 -1.270 -9.844 1.00 1.14 C ATOM 273 CG GLU A 16 7.692 -0.168 -10.491 1.00 30.24 C ATOM 274 CD GLU A 16 7.444 -0.350 -11.994 1.00 5.31 C ATOM 275 OE1 GLU A 16 8.421 -0.310 -12.773 1.00 22.04 O ATOM 276 OE2 GLU A 16 6.267 -0.495 -12.401 1.00 5.52 O ATOM 0 H GLU A 16 6.335 -2.256 -9.225 1.00 64.24 H new ATOM 0 HA GLU A 16 8.192 -2.905 -11.233 1.00 63.22 H new ATOM 0 HB2 GLU A 16 8.529 -1.132 -8.763 1.00 1.14 H new ATOM 0 HB3 GLU A 16 9.587 -1.125 -10.160 1.00 1.14 H new ATOM 0 HG2 GLU A 16 6.730 -0.130 -9.980 1.00 30.24 H new ATOM 0 HG3 GLU A 16 8.176 0.795 -10.330 1.00 30.24 H new ATOM 283 N ASP A 17 8.848 -3.974 -8.169 1.00 65.13 N ATOM 284 CA ASP A 17 9.841 -4.574 -7.253 1.00 72.15 C ATOM 285 C ASP A 17 9.380 -5.930 -6.704 1.00 3.14 C ATOM 286 O ASP A 17 10.074 -6.937 -6.852 1.00 4.14 O ATOM 287 CB ASP A 17 10.106 -3.584 -6.091 1.00 13.33 C ATOM 288 CG ASP A 17 11.299 -3.987 -5.223 1.00 74.54 C ATOM 289 OD1 ASP A 17 12.440 -3.863 -5.711 1.00 41.33 O ATOM 290 OD2 ASP A 17 11.112 -4.405 -4.058 1.00 1.40 O ATOM 0 H ASP A 17 7.933 -3.819 -7.746 1.00 65.13 H new ATOM 0 HA ASP A 17 10.758 -4.758 -7.812 1.00 72.15 H new ATOM 0 HB2 ASP A 17 10.282 -2.590 -6.501 1.00 13.33 H new ATOM 0 HB3 ASP A 17 9.215 -3.518 -5.467 1.00 13.33 H new ATOM 295 N LEU A 18 8.192 -5.936 -6.078 1.00 31.12 N ATOM 296 CA LEU A 18 7.670 -7.111 -5.340 1.00 44.02 C ATOM 297 C LEU A 18 7.282 -8.253 -6.297 1.00 31.21 C ATOM 298 O LEU A 18 7.549 -9.428 -6.008 1.00 45.35 O ATOM 299 CB LEU A 18 6.473 -6.707 -4.422 1.00 30.50 C ATOM 300 CG LEU A 18 6.835 -5.875 -3.144 1.00 41.54 C ATOM 301 CD1 LEU A 18 7.883 -6.609 -2.288 1.00 43.14 C ATOM 302 CD2 LEU A 18 7.304 -4.442 -3.481 1.00 14.22 C ATOM 0 H LEU A 18 7.564 -5.132 -6.066 1.00 31.12 H new ATOM 0 HA LEU A 18 8.471 -7.483 -4.701 1.00 44.02 H new ATOM 0 HB2 LEU A 18 5.764 -6.131 -5.017 1.00 30.50 H new ATOM 0 HB3 LEU A 18 5.961 -7.616 -4.106 1.00 30.50 H new ATOM 0 HG LEU A 18 5.918 -5.777 -2.563 1.00 41.54 H new ATOM 0 HD11 LEU A 18 8.117 -6.011 -1.407 1.00 43.14 H new ATOM 0 HD12 LEU A 18 7.486 -7.575 -1.976 1.00 43.14 H new ATOM 0 HD13 LEU A 18 8.789 -6.762 -2.874 1.00 43.14 H new ATOM 0 HD21 LEU A 18 7.542 -3.911 -2.559 1.00 14.22 H new ATOM 0 HD22 LEU A 18 8.192 -4.489 -4.112 1.00 14.22 H new ATOM 0 HD23 LEU A 18 6.510 -3.914 -4.010 1.00 14.22 H new ATOM 314 N ILE A 19 6.646 -7.901 -7.424 1.00 33.31 N ATOM 315 CA ILE A 19 6.372 -8.856 -8.518 1.00 61.33 C ATOM 316 C ILE A 19 7.709 -9.206 -9.212 1.00 45.15 C ATOM 317 O ILE A 19 7.938 -10.355 -9.611 1.00 62.22 O ATOM 318 CB ILE A 19 5.317 -8.280 -9.562 1.00 54.00 C ATOM 319 CG1 ILE A 19 3.843 -8.348 -9.036 1.00 34.11 C ATOM 320 CG2 ILE A 19 5.396 -9.014 -10.916 1.00 13.23 C ATOM 321 CD1 ILE A 19 3.550 -7.637 -7.741 1.00 13.25 C ATOM 0 H ILE A 19 6.308 -6.956 -7.606 1.00 33.31 H new ATOM 0 HA ILE A 19 5.925 -9.757 -8.098 1.00 61.33 H new ATOM 0 HB ILE A 19 5.587 -7.233 -9.697 1.00 54.00 H new ATOM 0 HG12 ILE A 19 3.189 -7.937 -9.805 1.00 34.11 H new ATOM 0 HG13 ILE A 19 3.573 -9.397 -8.916 1.00 34.11 H new ATOM 0 HG21 ILE A 19 4.661 -8.593 -11.602 1.00 13.23 H new ATOM 0 HG22 ILE A 19 6.395 -8.895 -11.337 1.00 13.23 H new ATOM 0 HG23 ILE A 19 5.188 -10.074 -10.768 1.00 13.23 H new ATOM 0 HD11 ILE A 19 2.497 -7.760 -7.488 1.00 13.25 H new ATOM 0 HD12 ILE A 19 4.166 -8.059 -6.947 1.00 13.25 H new ATOM 0 HD13 ILE A 19 3.775 -6.576 -7.849 1.00 13.25 H new ATOM 333 N GLY A 20 8.591 -8.199 -9.329 1.00 64.44 N ATOM 334 CA GLY A 20 9.930 -8.380 -9.898 1.00 10.41 C ATOM 335 C GLY A 20 10.116 -7.626 -11.206 1.00 32.15 C ATOM 336 O GLY A 20 9.351 -6.699 -11.500 1.00 13.10 O ATOM 0 H GLY A 20 8.394 -7.243 -9.033 1.00 64.44 H new ATOM 0 HA2 GLY A 20 10.675 -8.041 -9.178 1.00 10.41 H new ATOM 0 HA3 GLY A 20 10.109 -9.442 -10.066 1.00 10.41 H new ATOM 340 N PRO A 21 11.146 -8.015 -12.028 1.00 14.14 N ATOM 341 CA PRO A 21 11.432 -7.370 -13.339 1.00 65.13 C ATOM 342 C PRO A 21 10.390 -7.714 -14.422 1.00 33.03 C ATOM 343 O PRO A 21 10.409 -7.133 -15.507 1.00 51.24 O ATOM 344 CB PRO A 21 12.827 -7.938 -13.702 1.00 35.15 C ATOM 345 CG PRO A 21 12.864 -9.284 -13.050 1.00 71.43 C ATOM 346 CD PRO A 21 12.121 -9.113 -11.741 1.00 31.51 C ATOM 0 HA PRO A 21 11.398 -6.282 -13.279 1.00 65.13 H new ATOM 0 HB2 PRO A 21 12.955 -8.016 -14.782 1.00 35.15 H new ATOM 0 HB3 PRO A 21 13.626 -7.295 -13.332 1.00 35.15 H new ATOM 0 HG2 PRO A 21 12.388 -10.038 -13.677 1.00 71.43 H new ATOM 0 HG3 PRO A 21 13.890 -9.611 -12.880 1.00 71.43 H new ATOM 0 HD2 PRO A 21 11.614 -10.032 -11.445 1.00 31.51 H new ATOM 0 HD3 PRO A 21 12.797 -8.846 -10.929 1.00 31.51 H new ATOM 354 N SER A 22 9.503 -8.672 -14.121 1.00 64.15 N ATOM 355 CA SER A 22 8.467 -9.131 -15.049 1.00 74.24 C ATOM 356 C SER A 22 7.089 -8.912 -14.417 1.00 22.34 C ATOM 357 O SER A 22 6.583 -9.785 -13.711 1.00 73.42 O ATOM 358 CB SER A 22 8.711 -10.621 -15.402 1.00 23.02 C ATOM 359 OG SER A 22 7.811 -11.086 -16.394 1.00 23.35 O ATOM 0 H SER A 22 9.486 -9.152 -13.221 1.00 64.15 H new ATOM 0 HA SER A 22 8.507 -8.559 -15.976 1.00 74.24 H new ATOM 0 HB2 SER A 22 9.735 -10.747 -15.754 1.00 23.02 H new ATOM 0 HB3 SER A 22 8.605 -11.229 -14.503 1.00 23.02 H new ATOM 0 HG SER A 22 7.998 -12.028 -16.590 1.00 23.35 H new ATOM 365 N ALA A 23 6.517 -7.709 -14.613 1.00 10.23 N ATOM 366 CA ALA A 23 5.167 -7.367 -14.127 1.00 24.33 C ATOM 367 C ALA A 23 4.156 -7.361 -15.277 1.00 2.44 C ATOM 368 O ALA A 23 4.535 -7.418 -16.451 1.00 71.12 O ATOM 369 CB ALA A 23 5.187 -6.005 -13.411 1.00 64.21 C ATOM 0 H ALA A 23 6.977 -6.948 -15.112 1.00 10.23 H new ATOM 0 HA ALA A 23 4.856 -8.130 -13.413 1.00 24.33 H new ATOM 0 HB1 ALA A 23 4.184 -5.765 -13.057 1.00 64.21 H new ATOM 0 HB2 ALA A 23 5.870 -6.050 -12.563 1.00 64.21 H new ATOM 0 HB3 ALA A 23 5.521 -5.234 -14.105 1.00 64.21 H new ATOM 375 N LYS A 24 2.863 -7.312 -14.928 1.00 62.50 N ATOM 376 CA LYS A 24 1.763 -7.181 -15.895 1.00 64.00 C ATOM 377 C LYS A 24 0.895 -6.006 -15.467 1.00 11.31 C ATOM 378 O LYS A 24 0.138 -6.109 -14.507 1.00 2.13 O ATOM 379 CB LYS A 24 0.929 -8.496 -15.992 1.00 1.42 C ATOM 380 CG LYS A 24 1.688 -9.679 -16.614 1.00 72.12 C ATOM 381 CD LYS A 24 2.094 -9.403 -18.078 1.00 64.33 C ATOM 382 CE LYS A 24 2.987 -10.506 -18.644 1.00 44.11 C ATOM 383 NZ LYS A 24 2.336 -11.843 -18.628 1.00 53.40 N ATOM 0 H LYS A 24 2.548 -7.363 -13.959 1.00 62.50 H new ATOM 0 HA LYS A 24 2.168 -6.999 -16.890 1.00 64.00 H new ATOM 0 HB2 LYS A 24 0.597 -8.777 -14.993 1.00 1.42 H new ATOM 0 HB3 LYS A 24 0.034 -8.302 -16.583 1.00 1.42 H new ATOM 0 HG2 LYS A 24 2.580 -9.887 -16.024 1.00 72.12 H new ATOM 0 HG3 LYS A 24 1.064 -10.571 -16.573 1.00 72.12 H new ATOM 0 HD2 LYS A 24 1.198 -9.312 -18.691 1.00 64.33 H new ATOM 0 HD3 LYS A 24 2.617 -8.448 -18.135 1.00 64.33 H new ATOM 0 HE2 LYS A 24 3.262 -10.254 -19.668 1.00 44.11 H new ATOM 0 HE3 LYS A 24 3.911 -10.550 -18.067 1.00 44.11 H new ATOM 0 HZ1 LYS A 24 2.967 -12.542 -19.069 1.00 53.40 H new ATOM 0 HZ2 LYS A 24 2.142 -12.123 -17.645 1.00 53.40 H new ATOM 0 HZ3 LYS A 24 1.442 -11.800 -19.158 1.00 53.40 H new ATOM 397 N GLU A 25 1.022 -4.887 -16.186 1.00 31.15 N ATOM 398 CA GLU A 25 0.341 -3.610 -15.867 1.00 21.14 C ATOM 399 C GLU A 25 -1.188 -3.784 -15.878 1.00 53.24 C ATOM 400 O GLU A 25 -1.899 -3.098 -15.151 1.00 33.14 O ATOM 401 CB GLU A 25 0.762 -2.501 -16.879 1.00 3.21 C ATOM 402 CG GLU A 25 2.264 -2.110 -16.858 1.00 14.23 C ATOM 403 CD GLU A 25 3.224 -3.198 -17.385 1.00 1.34 C ATOM 404 OE1 GLU A 25 3.418 -3.294 -18.614 1.00 63.51 O ATOM 405 OE2 GLU A 25 3.749 -3.991 -16.574 1.00 50.44 O ATOM 0 H GLU A 25 1.607 -4.833 -17.020 1.00 31.15 H new ATOM 0 HA GLU A 25 0.645 -3.307 -14.865 1.00 21.14 H new ATOM 0 HB2 GLU A 25 0.506 -2.835 -17.884 1.00 3.21 H new ATOM 0 HB3 GLU A 25 0.170 -1.608 -16.679 1.00 3.21 H new ATOM 0 HG2 GLU A 25 2.398 -1.207 -17.454 1.00 14.23 H new ATOM 0 HG3 GLU A 25 2.546 -1.861 -15.835 1.00 14.23 H new ATOM 412 N ASP A 26 -1.629 -4.757 -16.696 1.00 22.21 N ATOM 413 CA ASP A 26 -3.043 -5.143 -16.909 1.00 62.52 C ATOM 414 C ASP A 26 -3.819 -5.284 -15.586 1.00 44.33 C ATOM 415 O ASP A 26 -4.905 -4.722 -15.425 1.00 25.30 O ATOM 416 CB ASP A 26 -3.111 -6.504 -17.654 1.00 12.31 C ATOM 417 CG ASP A 26 -2.238 -6.563 -18.912 1.00 65.51 C ATOM 418 OD1 ASP A 26 -1.020 -6.840 -18.786 1.00 42.14 O ATOM 419 OD2 ASP A 26 -2.755 -6.341 -20.027 1.00 3.24 O ATOM 0 H ASP A 26 -0.986 -5.321 -17.251 1.00 22.21 H new ATOM 0 HA ASP A 26 -3.501 -4.348 -17.497 1.00 62.52 H new ATOM 0 HB2 ASP A 26 -2.804 -7.297 -16.972 1.00 12.31 H new ATOM 0 HB3 ASP A 26 -4.146 -6.705 -17.931 1.00 12.31 H new ATOM 424 N GLU A 27 -3.213 -6.035 -14.653 1.00 41.22 N ATOM 425 CA GLU A 27 -3.853 -6.414 -13.380 1.00 15.03 C ATOM 426 C GLU A 27 -3.783 -5.276 -12.344 1.00 3.03 C ATOM 427 O GLU A 27 -4.511 -5.296 -11.339 1.00 74.02 O ATOM 428 CB GLU A 27 -3.202 -7.712 -12.825 1.00 15.42 C ATOM 429 CG GLU A 27 -1.727 -7.565 -12.424 1.00 0.31 C ATOM 430 CD GLU A 27 -1.062 -8.884 -12.005 1.00 30.11 C ATOM 431 OE1 GLU A 27 -1.243 -9.318 -10.847 1.00 1.43 O ATOM 432 OE2 GLU A 27 -0.367 -9.503 -12.843 1.00 12.44 O ATOM 0 H GLU A 27 -2.265 -6.397 -14.758 1.00 41.22 H new ATOM 0 HA GLU A 27 -4.909 -6.603 -13.575 1.00 15.03 H new ATOM 0 HB2 GLU A 27 -3.770 -8.045 -11.956 1.00 15.42 H new ATOM 0 HB3 GLU A 27 -3.284 -8.495 -13.579 1.00 15.42 H new ATOM 0 HG2 GLU A 27 -1.174 -7.140 -13.262 1.00 0.31 H new ATOM 0 HG3 GLU A 27 -1.654 -6.855 -11.600 1.00 0.31 H new ATOM 439 N LEU A 28 -2.906 -4.289 -12.582 1.00 63.54 N ATOM 440 CA LEU A 28 -2.710 -3.173 -11.665 1.00 32.22 C ATOM 441 C LEU A 28 -3.774 -2.073 -11.875 1.00 74.34 C ATOM 442 O LEU A 28 -4.105 -1.721 -13.013 1.00 21.51 O ATOM 443 CB LEU A 28 -1.302 -2.564 -11.829 1.00 24.20 C ATOM 444 CG LEU A 28 -0.981 -1.406 -10.840 1.00 30.52 C ATOM 445 CD1 LEU A 28 -0.946 -1.901 -9.375 1.00 40.34 C ATOM 446 CD2 LEU A 28 0.313 -0.680 -11.224 1.00 2.43 C ATOM 0 H LEU A 28 -2.318 -4.248 -13.415 1.00 63.54 H new ATOM 0 HA LEU A 28 -2.814 -3.569 -10.655 1.00 32.22 H new ATOM 0 HB2 LEU A 28 -0.561 -3.353 -11.698 1.00 24.20 H new ATOM 0 HB3 LEU A 28 -1.196 -2.194 -12.849 1.00 24.20 H new ATOM 0 HG LEU A 28 -1.792 -0.681 -10.915 1.00 30.52 H new ATOM 0 HD11 LEU A 28 -0.719 -1.065 -8.714 1.00 40.34 H new ATOM 0 HD12 LEU A 28 -1.916 -2.321 -9.109 1.00 40.34 H new ATOM 0 HD13 LEU A 28 -0.178 -2.667 -9.268 1.00 40.34 H new ATOM 0 HD21 LEU A 28 0.505 0.122 -10.511 1.00 2.43 H new ATOM 0 HD22 LEU A 28 1.144 -1.385 -11.210 1.00 2.43 H new ATOM 0 HD23 LEU A 28 0.211 -0.260 -12.225 1.00 2.43 H new ATOM 458 N ASP A 29 -4.278 -1.550 -10.747 1.00 51.11 N ATOM 459 CA ASP A 29 -5.125 -0.342 -10.674 1.00 32.14 C ATOM 460 C ASP A 29 -5.194 0.096 -9.200 1.00 61.42 C ATOM 461 O ASP A 29 -4.746 -0.646 -8.308 1.00 23.13 O ATOM 462 CB ASP A 29 -6.553 -0.610 -11.230 1.00 4.44 C ATOM 463 CG ASP A 29 -7.394 0.663 -11.466 1.00 43.43 C ATOM 464 OD1 ASP A 29 -7.210 1.328 -12.504 1.00 64.00 O ATOM 465 OD2 ASP A 29 -8.232 1.014 -10.610 1.00 1.50 O ATOM 0 H ASP A 29 -4.104 -1.965 -9.832 1.00 51.11 H new ATOM 0 HA ASP A 29 -4.690 0.446 -11.289 1.00 32.14 H new ATOM 0 HB2 ASP A 29 -6.467 -1.154 -12.171 1.00 4.44 H new ATOM 0 HB3 ASP A 29 -7.085 -1.259 -10.534 1.00 4.44 H new ATOM 470 N ASP A 30 -5.757 1.284 -8.939 1.00 55.11 N ATOM 471 CA ASP A 30 -5.881 1.813 -7.578 1.00 44.24 C ATOM 472 C ASP A 30 -7.101 1.214 -6.852 1.00 23.43 C ATOM 473 O ASP A 30 -7.046 0.914 -5.658 1.00 43.43 O ATOM 474 CB ASP A 30 -5.948 3.360 -7.598 1.00 0.52 C ATOM 475 CG ASP A 30 -7.233 3.939 -8.197 1.00 20.44 C ATOM 476 OD1 ASP A 30 -7.373 3.925 -9.432 1.00 72.32 O ATOM 477 OD2 ASP A 30 -8.102 4.406 -7.435 1.00 13.45 O ATOM 0 H ASP A 30 -6.135 1.899 -9.660 1.00 55.11 H new ATOM 0 HA ASP A 30 -4.992 1.518 -7.021 1.00 44.24 H new ATOM 0 HB2 ASP A 30 -5.842 3.728 -6.577 1.00 0.52 H new ATOM 0 HB3 ASP A 30 -5.097 3.739 -8.164 1.00 0.52 H new ATOM 482 N GLN A 31 -8.188 1.046 -7.604 1.00 64.41 N ATOM 483 CA GLN A 31 -9.449 0.477 -7.094 1.00 32.05 C ATOM 484 C GLN A 31 -9.370 -1.054 -7.008 1.00 40.43 C ATOM 485 O GLN A 31 -10.210 -1.680 -6.350 1.00 14.12 O ATOM 486 CB GLN A 31 -10.610 0.890 -8.032 1.00 71.31 C ATOM 487 CG GLN A 31 -10.724 2.405 -8.271 1.00 43.31 C ATOM 488 CD GLN A 31 -11.874 2.808 -9.194 1.00 44.04 C ATOM 489 OE1 GLN A 31 -12.276 2.054 -10.085 1.00 22.00 O ATOM 490 NE2 GLN A 31 -12.417 3.994 -8.977 1.00 11.15 N ATOM 0 H GLN A 31 -8.226 1.300 -8.591 1.00 64.41 H new ATOM 0 HA GLN A 31 -9.625 0.863 -6.090 1.00 32.05 H new ATOM 0 HB2 GLN A 31 -10.480 0.392 -8.993 1.00 71.31 H new ATOM 0 HB3 GLN A 31 -11.548 0.529 -7.610 1.00 71.31 H new ATOM 0 HG2 GLN A 31 -10.851 2.905 -7.311 1.00 43.31 H new ATOM 0 HG3 GLN A 31 -9.788 2.766 -8.696 1.00 43.31 H new ATOM 0 HE21 GLN A 31 -12.058 4.590 -8.231 1.00 11.15 H new ATOM 0 HE22 GLN A 31 -13.195 4.312 -9.555 1.00 11.15 H new ATOM 499 N THR A 32 -8.366 -1.639 -7.697 1.00 20.14 N ATOM 500 CA THR A 32 -8.134 -3.081 -7.691 1.00 52.41 C ATOM 501 C THR A 32 -7.752 -3.571 -6.279 1.00 51.03 C ATOM 502 O THR A 32 -6.742 -3.117 -5.717 1.00 32.54 O ATOM 503 CB THR A 32 -7.030 -3.498 -8.712 1.00 62.51 C ATOM 504 OG1 THR A 32 -7.527 -3.357 -10.050 1.00 42.22 O ATOM 505 CG2 THR A 32 -6.544 -4.941 -8.493 1.00 10.33 C ATOM 0 H THR A 32 -7.701 -1.118 -8.268 1.00 20.14 H new ATOM 0 HA THR A 32 -9.069 -3.553 -7.993 1.00 52.41 H new ATOM 0 HB THR A 32 -6.178 -2.837 -8.555 1.00 62.51 H new ATOM 0 HG1 THR A 32 -6.830 -3.618 -10.687 1.00 42.22 H new ATOM 0 HG21 THR A 32 -5.777 -5.182 -9.229 1.00 10.33 H new ATOM 0 HG22 THR A 32 -6.128 -5.037 -7.490 1.00 10.33 H new ATOM 0 HG23 THR A 32 -7.383 -5.628 -8.605 1.00 10.33 H new ATOM 513 N PRO A 33 -8.563 -4.507 -5.689 1.00 1.44 N ATOM 514 CA PRO A 33 -8.237 -5.136 -4.411 1.00 2.33 C ATOM 515 C PRO A 33 -7.055 -6.121 -4.577 1.00 10.14 C ATOM 516 O PRO A 33 -7.196 -7.201 -5.149 1.00 10.53 O ATOM 517 CB PRO A 33 -9.554 -5.836 -4.010 1.00 75.34 C ATOM 518 CG PRO A 33 -10.272 -6.096 -5.303 1.00 1.42 C ATOM 519 CD PRO A 33 -9.855 -4.995 -6.247 1.00 61.32 C ATOM 0 HA PRO A 33 -7.906 -4.436 -3.644 1.00 2.33 H new ATOM 0 HB2 PRO A 33 -9.359 -6.765 -3.474 1.00 75.34 H new ATOM 0 HB3 PRO A 33 -10.149 -5.206 -3.349 1.00 75.34 H new ATOM 0 HG2 PRO A 33 -10.007 -7.074 -5.705 1.00 1.42 H new ATOM 0 HG3 PRO A 33 -11.352 -6.094 -5.156 1.00 1.42 H new ATOM 0 HD2 PRO A 33 -9.735 -5.367 -7.264 1.00 61.32 H new ATOM 0 HD3 PRO A 33 -10.599 -4.199 -6.284 1.00 61.32 H new ATOM 527 N LEU A 34 -5.889 -5.712 -4.076 1.00 30.11 N ATOM 528 CA LEU A 34 -4.623 -6.429 -4.241 1.00 20.34 C ATOM 529 C LEU A 34 -4.632 -7.789 -3.508 1.00 0.41 C ATOM 530 O LEU A 34 -4.193 -8.800 -4.068 1.00 34.34 O ATOM 531 CB LEU A 34 -3.467 -5.544 -3.722 1.00 15.42 C ATOM 532 CG LEU A 34 -3.439 -4.068 -4.235 1.00 44.24 C ATOM 533 CD1 LEU A 34 -2.285 -3.290 -3.592 1.00 42.43 C ATOM 534 CD2 LEU A 34 -3.373 -3.977 -5.777 1.00 23.41 C ATOM 0 H LEU A 34 -5.796 -4.854 -3.532 1.00 30.11 H new ATOM 0 HA LEU A 34 -4.482 -6.638 -5.301 1.00 20.34 H new ATOM 0 HB2 LEU A 34 -3.512 -5.527 -2.633 1.00 15.42 H new ATOM 0 HB3 LEU A 34 -2.524 -6.019 -3.994 1.00 15.42 H new ATOM 0 HG LEU A 34 -4.381 -3.610 -3.933 1.00 44.24 H new ATOM 0 HD11 LEU A 34 -2.285 -2.265 -3.964 1.00 42.43 H new ATOM 0 HD12 LEU A 34 -2.410 -3.283 -2.509 1.00 42.43 H new ATOM 0 HD13 LEU A 34 -1.339 -3.768 -3.845 1.00 42.43 H new ATOM 0 HD21 LEU A 34 -3.356 -2.930 -6.079 1.00 23.41 H new ATOM 0 HD22 LEU A 34 -2.469 -4.472 -6.132 1.00 23.41 H new ATOM 0 HD23 LEU A 34 -4.247 -4.465 -6.208 1.00 23.41 H new ATOM 546 N LEU A 35 -5.148 -7.800 -2.261 1.00 21.15 N ATOM 547 CA LEU A 35 -5.313 -9.047 -1.464 1.00 65.34 C ATOM 548 C LEU A 35 -6.247 -10.024 -2.183 1.00 15.35 C ATOM 549 O LEU A 35 -6.002 -11.228 -2.191 1.00 22.12 O ATOM 550 CB LEU A 35 -5.866 -8.753 -0.033 1.00 31.43 C ATOM 551 CG LEU A 35 -4.831 -8.307 1.050 1.00 70.35 C ATOM 552 CD1 LEU A 35 -3.804 -9.412 1.371 1.00 63.14 C ATOM 553 CD2 LEU A 35 -4.134 -7.005 0.657 1.00 32.52 C ATOM 0 H LEU A 35 -5.461 -6.958 -1.777 1.00 21.15 H new ATOM 0 HA LEU A 35 -4.325 -9.496 -1.361 1.00 65.34 H new ATOM 0 HB2 LEU A 35 -6.625 -7.975 -0.116 1.00 31.43 H new ATOM 0 HB3 LEU A 35 -6.368 -9.651 0.327 1.00 31.43 H new ATOM 0 HG LEU A 35 -5.397 -8.123 1.963 1.00 70.35 H new ATOM 0 HD11 LEU A 35 -3.108 -9.053 2.129 1.00 63.14 H new ATOM 0 HD12 LEU A 35 -4.324 -10.294 1.745 1.00 63.14 H new ATOM 0 HD13 LEU A 35 -3.254 -9.671 0.466 1.00 63.14 H new ATOM 0 HD21 LEU A 35 -3.422 -6.725 1.433 1.00 32.52 H new ATOM 0 HD22 LEU A 35 -3.607 -7.145 -0.287 1.00 32.52 H new ATOM 0 HD23 LEU A 35 -4.876 -6.215 0.544 1.00 32.52 H new ATOM 565 N GLU A 36 -7.305 -9.475 -2.794 1.00 75.33 N ATOM 566 CA GLU A 36 -8.314 -10.266 -3.509 1.00 40.43 C ATOM 567 C GLU A 36 -7.712 -10.889 -4.772 1.00 13.34 C ATOM 568 O GLU A 36 -8.017 -12.029 -5.115 1.00 22.40 O ATOM 569 CB GLU A 36 -9.516 -9.372 -3.882 1.00 34.41 C ATOM 570 CG GLU A 36 -10.812 -10.119 -4.261 1.00 62.15 C ATOM 571 CD GLU A 36 -11.524 -10.752 -3.049 1.00 62.23 C ATOM 572 OE1 GLU A 36 -12.252 -10.022 -2.334 1.00 52.54 O ATOM 573 OE2 GLU A 36 -11.355 -11.964 -2.800 1.00 24.12 O ATOM 0 H GLU A 36 -7.485 -8.471 -2.806 1.00 75.33 H new ATOM 0 HA GLU A 36 -8.655 -11.069 -2.855 1.00 40.43 H new ATOM 0 HB2 GLU A 36 -9.731 -8.713 -3.040 1.00 34.41 H new ATOM 0 HB3 GLU A 36 -9.227 -8.736 -4.719 1.00 34.41 H new ATOM 0 HG2 GLU A 36 -11.493 -9.425 -4.753 1.00 62.15 H new ATOM 0 HG3 GLU A 36 -10.576 -10.900 -4.984 1.00 62.15 H new ATOM 580 N TRP A 37 -6.827 -10.128 -5.443 1.00 13.34 N ATOM 581 CA TRP A 37 -6.232 -10.551 -6.734 1.00 64.21 C ATOM 582 C TRP A 37 -4.965 -11.394 -6.524 1.00 74.44 C ATOM 583 O TRP A 37 -4.283 -11.732 -7.494 1.00 64.10 O ATOM 584 CB TRP A 37 -5.936 -9.313 -7.617 1.00 23.54 C ATOM 585 CG TRP A 37 -7.165 -8.665 -8.235 1.00 10.44 C ATOM 586 CD1 TRP A 37 -8.370 -8.409 -7.635 1.00 11.14 C ATOM 587 CD2 TRP A 37 -7.291 -8.179 -9.580 1.00 45.41 C ATOM 588 NE1 TRP A 37 -9.218 -7.794 -8.511 1.00 0.11 N ATOM 589 CE2 TRP A 37 -8.586 -7.643 -9.715 1.00 22.01 C ATOM 590 CE3 TRP A 37 -6.436 -8.147 -10.683 1.00 43.24 C ATOM 591 CZ2 TRP A 37 -9.041 -7.071 -10.898 1.00 61.31 C ATOM 592 CZ3 TRP A 37 -6.893 -7.584 -11.857 1.00 50.11 C ATOM 593 CH2 TRP A 37 -8.180 -7.049 -11.957 1.00 23.23 C ATOM 0 H TRP A 37 -6.506 -9.217 -5.116 1.00 13.34 H new ATOM 0 HA TRP A 37 -6.956 -11.182 -7.249 1.00 64.21 H new ATOM 0 HB2 TRP A 37 -5.415 -8.570 -7.014 1.00 23.54 H new ATOM 0 HB3 TRP A 37 -5.257 -9.608 -8.417 1.00 23.54 H new ATOM 0 HD1 TRP A 37 -8.615 -8.659 -6.613 1.00 11.14 H new ATOM 0 HE1 TRP A 37 -10.170 -7.495 -8.301 1.00 0.11 H new ATOM 0 HE3 TRP A 37 -5.438 -8.554 -10.619 1.00 43.24 H new ATOM 0 HZ2 TRP A 37 -10.037 -6.660 -10.976 1.00 61.31 H new ATOM 0 HZ3 TRP A 37 -6.241 -7.556 -12.718 1.00 50.11 H new ATOM 0 HH2 TRP A 37 -8.500 -6.610 -12.890 1.00 23.23 H new ATOM 604 N GLY A 38 -4.661 -11.720 -5.257 1.00 70.02 N ATOM 605 CA GLY A 38 -3.501 -12.542 -4.917 1.00 41.31 C ATOM 606 C GLY A 38 -2.168 -11.854 -5.180 1.00 11.00 C ATOM 607 O GLY A 38 -1.138 -12.518 -5.277 1.00 0.13 O ATOM 0 H GLY A 38 -5.210 -11.422 -4.451 1.00 70.02 H new ATOM 0 HA2 GLY A 38 -3.557 -12.817 -3.864 1.00 41.31 H new ATOM 0 HA3 GLY A 38 -3.542 -13.468 -5.490 1.00 41.31 H new ATOM 611 N ILE A 39 -2.209 -10.515 -5.300 1.00 32.23 N ATOM 612 CA ILE A 39 -1.026 -9.673 -5.493 1.00 22.33 C ATOM 613 C ILE A 39 -0.267 -9.593 -4.158 1.00 23.55 C ATOM 614 O ILE A 39 0.967 -9.601 -4.121 1.00 43.40 O ATOM 615 CB ILE A 39 -1.452 -8.237 -6.005 1.00 24.21 C ATOM 616 CG1 ILE A 39 -2.180 -8.333 -7.393 1.00 32.14 C ATOM 617 CG2 ILE A 39 -0.250 -7.273 -6.077 1.00 34.32 C ATOM 618 CD1 ILE A 39 -2.681 -7.005 -7.964 1.00 52.23 C ATOM 0 H ILE A 39 -3.080 -9.985 -5.264 1.00 32.23 H new ATOM 0 HA ILE A 39 -0.372 -10.104 -6.251 1.00 22.33 H new ATOM 0 HB ILE A 39 -2.152 -7.826 -5.278 1.00 24.21 H new ATOM 0 HG12 ILE A 39 -1.496 -8.784 -8.112 1.00 32.14 H new ATOM 0 HG13 ILE A 39 -3.029 -9.009 -7.293 1.00 32.14 H new ATOM 0 HG21 ILE A 39 -0.586 -6.299 -6.433 1.00 34.32 H new ATOM 0 HG22 ILE A 39 0.190 -7.165 -5.086 1.00 34.32 H new ATOM 0 HG23 ILE A 39 0.496 -7.673 -6.764 1.00 34.32 H new ATOM 0 HD11 ILE A 39 -3.168 -7.182 -8.923 1.00 52.23 H new ATOM 0 HD12 ILE A 39 -3.394 -6.557 -7.272 1.00 52.23 H new ATOM 0 HD13 ILE A 39 -1.838 -6.328 -8.104 1.00 52.23 H new ATOM 630 N LEU A 40 -1.040 -9.554 -3.061 1.00 53.12 N ATOM 631 CA LEU A 40 -0.524 -9.563 -1.689 1.00 40.34 C ATOM 632 C LEU A 40 -1.150 -10.739 -0.933 1.00 53.54 C ATOM 633 O LEU A 40 -2.255 -11.186 -1.264 1.00 44.44 O ATOM 634 CB LEU A 40 -0.893 -8.239 -0.965 1.00 45.35 C ATOM 635 CG LEU A 40 -0.628 -6.921 -1.750 1.00 74.24 C ATOM 636 CD1 LEU A 40 -1.156 -5.702 -0.980 1.00 10.31 C ATOM 637 CD2 LEU A 40 0.856 -6.756 -2.107 1.00 14.13 C ATOM 0 H LEU A 40 -2.058 -9.515 -3.107 1.00 53.12 H new ATOM 0 HA LEU A 40 0.561 -9.662 -1.715 1.00 40.34 H new ATOM 0 HB2 LEU A 40 -1.951 -8.275 -0.706 1.00 45.35 H new ATOM 0 HB3 LEU A 40 -0.337 -8.196 -0.028 1.00 45.35 H new ATOM 0 HG LEU A 40 -1.178 -6.987 -2.689 1.00 74.24 H new ATOM 0 HD11 LEU A 40 -0.957 -4.796 -1.552 1.00 10.31 H new ATOM 0 HD12 LEU A 40 -2.230 -5.806 -0.827 1.00 10.31 H new ATOM 0 HD13 LEU A 40 -0.656 -5.638 -0.013 1.00 10.31 H new ATOM 0 HD21 LEU A 40 0.997 -5.824 -2.654 1.00 14.13 H new ATOM 0 HD22 LEU A 40 1.450 -6.734 -1.193 1.00 14.13 H new ATOM 0 HD23 LEU A 40 1.176 -7.593 -2.728 1.00 14.13 H new ATOM 649 N ASN A 41 -0.434 -11.221 0.079 1.00 2.20 N ATOM 650 CA ASN A 41 -0.979 -12.091 1.134 1.00 1.53 C ATOM 651 C ASN A 41 -0.343 -11.631 2.435 1.00 12.32 C ATOM 652 O ASN A 41 -0.998 -11.008 3.261 1.00 54.30 O ATOM 653 CB ASN A 41 -0.698 -13.594 0.856 1.00 63.45 C ATOM 654 CG ASN A 41 -1.232 -14.509 1.970 1.00 10.23 C ATOM 655 OD1 ASN A 41 -0.541 -14.787 2.953 1.00 63.30 O ATOM 656 ND2 ASN A 41 -2.454 -14.994 1.818 1.00 53.53 N ATOM 0 H ASN A 41 0.559 -11.019 0.197 1.00 2.20 H new ATOM 0 HA ASN A 41 -2.065 -12.009 1.178 1.00 1.53 H new ATOM 0 HB2 ASN A 41 -1.156 -13.876 -0.092 1.00 63.45 H new ATOM 0 HB3 ASN A 41 0.376 -13.746 0.749 1.00 63.45 H new ATOM 0 HD21 ASN A 41 -2.848 -15.615 2.525 1.00 53.53 H new ATOM 0 HD22 ASN A 41 -3.002 -14.746 0.994 1.00 53.53 H new ATOM 663 N SER A 42 0.963 -11.903 2.555 1.00 23.24 N ATOM 664 CA SER A 42 1.844 -11.351 3.593 1.00 52.03 C ATOM 665 C SER A 42 3.224 -11.178 2.948 1.00 32.20 C ATOM 666 O SER A 42 3.274 -11.014 1.728 1.00 72.43 O ATOM 667 CB SER A 42 1.888 -12.262 4.836 1.00 71.33 C ATOM 668 OG SER A 42 2.521 -11.581 5.909 1.00 51.20 O ATOM 0 H SER A 42 1.450 -12.531 1.915 1.00 23.24 H new ATOM 0 HA SER A 42 1.474 -10.391 3.954 1.00 52.03 H new ATOM 0 HB2 SER A 42 0.877 -12.551 5.123 1.00 71.33 H new ATOM 0 HB3 SER A 42 2.429 -13.180 4.606 1.00 71.33 H new ATOM 0 HG SER A 42 2.545 -12.163 6.697 1.00 51.20 H new ATOM 673 N MET A 43 4.323 -11.201 3.748 1.00 20.45 N ATOM 674 CA MET A 43 5.721 -11.214 3.252 1.00 11.34 C ATOM 675 C MET A 43 6.064 -9.903 2.494 1.00 60.33 C ATOM 676 O MET A 43 6.755 -9.030 3.023 1.00 42.10 O ATOM 677 CB MET A 43 5.967 -12.472 2.358 1.00 11.20 C ATOM 678 CG MET A 43 5.570 -13.828 2.985 1.00 32.24 C ATOM 679 SD MET A 43 4.935 -14.995 1.755 1.00 73.01 S ATOM 680 CE MET A 43 3.383 -14.215 1.274 1.00 24.34 C ATOM 0 H MET A 43 4.260 -11.211 4.766 1.00 20.45 H new ATOM 0 HA MET A 43 6.389 -11.271 4.111 1.00 11.34 H new ATOM 0 HB2 MET A 43 5.414 -12.347 1.427 1.00 11.20 H new ATOM 0 HB3 MET A 43 7.025 -12.509 2.098 1.00 11.20 H new ATOM 0 HG2 MET A 43 6.437 -14.263 3.482 1.00 32.24 H new ATOM 0 HG3 MET A 43 4.813 -13.663 3.751 1.00 32.24 H new ATOM 0 HE1 MET A 43 2.796 -14.911 0.675 1.00 24.34 H new ATOM 0 HE2 MET A 43 2.821 -13.942 2.167 1.00 24.34 H new ATOM 0 HE3 MET A 43 3.592 -13.319 0.689 1.00 24.34 H new ATOM 690 N ASN A 44 5.552 -9.782 1.244 1.00 1.13 N ATOM 691 CA ASN A 44 5.658 -8.559 0.429 1.00 22.12 C ATOM 692 C ASN A 44 4.838 -7.407 1.063 1.00 40.43 C ATOM 693 O ASN A 44 5.126 -6.236 0.834 1.00 34.43 O ATOM 694 CB ASN A 44 5.231 -8.852 -1.040 1.00 54.44 C ATOM 695 CG ASN A 44 3.728 -9.082 -1.275 1.00 70.54 C ATOM 696 OD1 ASN A 44 2.980 -9.449 -0.380 1.00 71.44 O ATOM 697 ND2 ASN A 44 3.287 -8.905 -2.514 1.00 5.45 N ATOM 0 H ASN A 44 5.052 -10.538 0.776 1.00 1.13 H new ATOM 0 HA ASN A 44 6.698 -8.233 0.406 1.00 22.12 H new ATOM 0 HB2 ASN A 44 5.552 -8.018 -1.663 1.00 54.44 H new ATOM 0 HB3 ASN A 44 5.771 -9.734 -1.385 1.00 54.44 H new ATOM 0 HD21 ASN A 44 2.306 -9.076 -2.735 1.00 5.45 H new ATOM 0 HD22 ASN A 44 3.929 -8.598 -3.245 1.00 5.45 H new ATOM 704 N ILE A 45 3.841 -7.784 1.890 1.00 70.42 N ATOM 705 CA ILE A 45 3.061 -6.872 2.747 1.00 35.12 C ATOM 706 C ILE A 45 3.971 -6.017 3.658 1.00 50.43 C ATOM 707 O ILE A 45 3.705 -4.830 3.889 1.00 3.31 O ATOM 708 CB ILE A 45 2.042 -7.723 3.606 1.00 52.30 C ATOM 709 CG1 ILE A 45 0.729 -8.023 2.820 1.00 1.52 C ATOM 710 CG2 ILE A 45 1.734 -7.119 4.992 1.00 24.21 C ATOM 711 CD1 ILE A 45 -0.140 -6.816 2.545 1.00 62.55 C ATOM 0 H ILE A 45 3.550 -8.757 1.981 1.00 70.42 H new ATOM 0 HA ILE A 45 2.515 -6.176 2.111 1.00 35.12 H new ATOM 0 HB ILE A 45 2.551 -8.668 3.797 1.00 52.30 H new ATOM 0 HG12 ILE A 45 0.990 -8.488 1.870 1.00 1.52 H new ATOM 0 HG13 ILE A 45 0.145 -8.752 3.382 1.00 1.52 H new ATOM 0 HG21 ILE A 45 1.028 -7.760 5.520 1.00 24.21 H new ATOM 0 HG22 ILE A 45 2.656 -7.043 5.569 1.00 24.21 H new ATOM 0 HG23 ILE A 45 1.300 -6.127 4.868 1.00 24.21 H new ATOM 0 HD11 ILE A 45 -1.029 -7.125 1.995 1.00 62.55 H new ATOM 0 HD12 ILE A 45 -0.438 -6.360 3.489 1.00 62.55 H new ATOM 0 HD13 ILE A 45 0.420 -6.092 1.953 1.00 62.55 H new ATOM 723 N VAL A 46 5.045 -6.633 4.150 1.00 22.24 N ATOM 724 CA VAL A 46 5.957 -5.997 5.108 1.00 51.20 C ATOM 725 C VAL A 46 6.817 -4.903 4.421 1.00 43.21 C ATOM 726 O VAL A 46 7.313 -3.974 5.075 1.00 1.44 O ATOM 727 CB VAL A 46 6.848 -7.085 5.804 1.00 63.15 C ATOM 728 CG1 VAL A 46 7.721 -6.477 6.918 1.00 42.02 C ATOM 729 CG2 VAL A 46 5.984 -8.244 6.369 1.00 3.42 C ATOM 0 H VAL A 46 5.310 -7.585 3.898 1.00 22.24 H new ATOM 0 HA VAL A 46 5.366 -5.499 5.877 1.00 51.20 H new ATOM 0 HB VAL A 46 7.511 -7.491 5.039 1.00 63.15 H new ATOM 0 HG11 VAL A 46 8.324 -7.261 7.377 1.00 42.02 H new ATOM 0 HG12 VAL A 46 8.377 -5.717 6.493 1.00 42.02 H new ATOM 0 HG13 VAL A 46 7.081 -6.022 7.674 1.00 42.02 H new ATOM 0 HG21 VAL A 46 6.631 -8.981 6.845 1.00 3.42 H new ATOM 0 HG22 VAL A 46 5.282 -7.850 7.103 1.00 3.42 H new ATOM 0 HG23 VAL A 46 5.432 -8.716 5.556 1.00 3.42 H new ATOM 739 N LYS A 47 6.948 -4.999 3.085 1.00 13.52 N ATOM 740 CA LYS A 47 7.687 -4.010 2.275 1.00 31.21 C ATOM 741 C LYS A 47 6.861 -2.720 2.090 1.00 34.11 C ATOM 742 O LYS A 47 7.421 -1.654 1.813 1.00 42.25 O ATOM 743 CB LYS A 47 8.103 -4.594 0.899 1.00 24.35 C ATOM 744 CG LYS A 47 9.257 -5.621 0.941 1.00 53.14 C ATOM 745 CD LYS A 47 8.863 -6.937 1.635 1.00 42.41 C ATOM 746 CE LYS A 47 9.950 -8.005 1.532 1.00 32.54 C ATOM 747 NZ LYS A 47 11.196 -7.584 2.207 1.00 45.23 N ATOM 0 H LYS A 47 6.547 -5.760 2.538 1.00 13.52 H new ATOM 0 HA LYS A 47 8.598 -3.761 2.819 1.00 31.21 H new ATOM 0 HB2 LYS A 47 7.233 -5.068 0.446 1.00 24.35 H new ATOM 0 HB3 LYS A 47 8.394 -3.771 0.246 1.00 24.35 H new ATOM 0 HG2 LYS A 47 9.582 -5.836 -0.077 1.00 53.14 H new ATOM 0 HG3 LYS A 47 10.108 -5.182 1.462 1.00 53.14 H new ATOM 0 HD2 LYS A 47 8.651 -6.740 2.686 1.00 42.41 H new ATOM 0 HD3 LYS A 47 7.943 -7.316 1.190 1.00 42.41 H new ATOM 0 HE2 LYS A 47 9.591 -8.933 1.976 1.00 32.54 H new ATOM 0 HE3 LYS A 47 10.157 -8.213 0.482 1.00 32.54 H new ATOM 0 HZ1 LYS A 47 11.893 -8.354 2.160 1.00 45.23 H new ATOM 0 HZ2 LYS A 47 11.579 -6.741 1.734 1.00 45.23 H new ATOM 0 HZ3 LYS A 47 10.993 -7.361 3.202 1.00 45.23 H new ATOM 761 N LEU A 48 5.525 -2.823 2.240 1.00 20.34 N ATOM 762 CA LEU A 48 4.639 -1.640 2.273 1.00 44.43 C ATOM 763 C LEU A 48 4.996 -0.755 3.471 1.00 14.33 C ATOM 764 O LEU A 48 5.074 0.465 3.336 1.00 2.14 O ATOM 765 CB LEU A 48 3.132 -2.028 2.350 1.00 23.04 C ATOM 766 CG LEU A 48 2.474 -2.567 1.040 1.00 44.31 C ATOM 767 CD1 LEU A 48 2.645 -1.562 -0.105 1.00 21.01 C ATOM 768 CD2 LEU A 48 3.007 -3.947 0.636 1.00 44.05 C ATOM 0 H LEU A 48 5.035 -3.712 2.340 1.00 20.34 H new ATOM 0 HA LEU A 48 4.794 -1.097 1.341 1.00 44.43 H new ATOM 0 HB2 LEU A 48 3.016 -2.786 3.125 1.00 23.04 H new ATOM 0 HB3 LEU A 48 2.572 -1.151 2.675 1.00 23.04 H new ATOM 0 HG LEU A 48 1.411 -2.689 1.247 1.00 44.31 H new ATOM 0 HD11 LEU A 48 2.180 -1.957 -1.008 1.00 21.01 H new ATOM 0 HD12 LEU A 48 2.171 -0.619 0.165 1.00 21.01 H new ATOM 0 HD13 LEU A 48 3.707 -1.395 -0.287 1.00 21.01 H new ATOM 0 HD21 LEU A 48 2.515 -4.273 -0.281 1.00 44.05 H new ATOM 0 HD22 LEU A 48 4.083 -3.887 0.469 1.00 44.05 H new ATOM 0 HD23 LEU A 48 2.802 -4.663 1.432 1.00 44.05 H new ATOM 780 N MET A 49 5.257 -1.411 4.618 1.00 35.14 N ATOM 781 CA MET A 49 5.562 -0.733 5.891 1.00 53.42 C ATOM 782 C MET A 49 6.782 0.182 5.722 1.00 1.14 C ATOM 783 O MET A 49 6.695 1.376 5.984 1.00 61.23 O ATOM 784 CB MET A 49 5.845 -1.762 7.019 1.00 63.44 C ATOM 785 CG MET A 49 4.766 -2.827 7.244 1.00 3.03 C ATOM 786 SD MET A 49 5.287 -4.052 8.470 1.00 63.41 S ATOM 787 CE MET A 49 4.017 -5.305 8.309 1.00 53.34 C ATOM 0 H MET A 49 5.262 -2.429 4.687 1.00 35.14 H new ATOM 0 HA MET A 49 4.692 -0.139 6.170 1.00 53.42 H new ATOM 0 HB2 MET A 49 6.785 -2.267 6.795 1.00 63.44 H new ATOM 0 HB3 MET A 49 5.990 -1.218 7.952 1.00 63.44 H new ATOM 0 HG2 MET A 49 3.845 -2.348 7.576 1.00 3.03 H new ATOM 0 HG3 MET A 49 4.544 -3.326 6.301 1.00 3.03 H new ATOM 0 HE1 MET A 49 3.648 -5.578 9.298 1.00 53.34 H new ATOM 0 HE2 MET A 49 3.195 -4.915 7.710 1.00 53.34 H new ATOM 0 HE3 MET A 49 4.435 -6.186 7.822 1.00 53.34 H new ATOM 797 N VAL A 50 7.895 -0.406 5.223 1.00 70.44 N ATOM 798 CA VAL A 50 9.174 0.312 5.041 1.00 14.23 C ATOM 799 C VAL A 50 9.069 1.419 3.966 1.00 32.51 C ATOM 800 O VAL A 50 9.739 2.445 4.083 1.00 35.14 O ATOM 801 CB VAL A 50 10.362 -0.679 4.702 1.00 0.22 C ATOM 802 CG1 VAL A 50 10.176 -1.362 3.331 1.00 63.41 C ATOM 803 CG2 VAL A 50 11.740 0.022 4.772 1.00 4.44 C ATOM 0 H VAL A 50 7.930 -1.385 4.938 1.00 70.44 H new ATOM 0 HA VAL A 50 9.396 0.792 5.994 1.00 14.23 H new ATOM 0 HB VAL A 50 10.338 -1.454 5.468 1.00 0.22 H new ATOM 0 HG11 VAL A 50 11.015 -2.032 3.142 1.00 63.41 H new ATOM 0 HG12 VAL A 50 9.248 -1.934 3.332 1.00 63.41 H new ATOM 0 HG13 VAL A 50 10.134 -0.603 2.549 1.00 63.41 H new ATOM 0 HG21 VAL A 50 12.525 -0.695 4.532 1.00 4.44 H new ATOM 0 HG22 VAL A 50 11.767 0.843 4.056 1.00 4.44 H new ATOM 0 HG23 VAL A 50 11.899 0.412 5.777 1.00 4.44 H new ATOM 813 N TYR A 51 8.207 1.223 2.946 1.00 61.34 N ATOM 814 CA TYR A 51 8.050 2.205 1.852 1.00 2.24 C ATOM 815 C TYR A 51 7.400 3.489 2.386 1.00 3.24 C ATOM 816 O TYR A 51 7.876 4.591 2.150 1.00 4.30 O ATOM 817 CB TYR A 51 7.181 1.656 0.699 1.00 74.10 C ATOM 818 CG TYR A 51 7.265 2.523 -0.579 1.00 54.34 C ATOM 819 CD1 TYR A 51 8.254 2.300 -1.533 1.00 41.54 C ATOM 820 CD2 TYR A 51 6.357 3.552 -0.826 1.00 4.22 C ATOM 821 CE1 TYR A 51 8.333 3.065 -2.681 1.00 41.03 C ATOM 822 CE2 TYR A 51 6.429 4.323 -1.968 1.00 75.50 C ATOM 823 CZ TYR A 51 7.415 4.074 -2.897 1.00 22.35 C ATOM 824 OH TYR A 51 7.490 4.845 -4.036 1.00 52.31 O ATOM 0 H TYR A 51 7.612 0.399 2.857 1.00 61.34 H new ATOM 0 HA TYR A 51 9.048 2.413 1.465 1.00 2.24 H new ATOM 0 HB2 TYR A 51 7.497 0.639 0.464 1.00 74.10 H new ATOM 0 HB3 TYR A 51 6.143 1.600 1.027 1.00 74.10 H new ATOM 0 HD1 TYR A 51 8.975 1.512 -1.372 1.00 41.54 H new ATOM 0 HD2 TYR A 51 5.578 3.751 -0.105 1.00 4.22 H new ATOM 0 HE1 TYR A 51 9.110 2.875 -3.407 1.00 41.03 H new ATOM 0 HE2 TYR A 51 5.716 5.117 -2.133 1.00 75.50 H new ATOM 0 HH TYR A 51 7.873 4.314 -4.766 1.00 52.31 H new ATOM 834 N ILE A 52 6.284 3.287 3.085 1.00 21.42 N ATOM 835 CA ILE A 52 5.458 4.358 3.660 1.00 41.32 C ATOM 836 C ILE A 52 6.206 5.051 4.819 1.00 62.22 C ATOM 837 O ILE A 52 6.076 6.259 5.043 1.00 74.43 O ATOM 838 CB ILE A 52 4.095 3.727 4.133 1.00 41.51 C ATOM 839 CG1 ILE A 52 3.348 3.089 2.908 1.00 22.25 C ATOM 840 CG2 ILE A 52 3.202 4.755 4.849 1.00 43.01 C ATOM 841 CD1 ILE A 52 2.253 2.096 3.258 1.00 5.41 C ATOM 0 H ILE A 52 5.917 2.354 3.274 1.00 21.42 H new ATOM 0 HA ILE A 52 5.254 5.127 2.915 1.00 41.32 H new ATOM 0 HB ILE A 52 4.320 2.945 4.859 1.00 41.51 H new ATOM 0 HG12 ILE A 52 2.911 3.891 2.313 1.00 22.25 H new ATOM 0 HG13 ILE A 52 4.082 2.587 2.277 1.00 22.25 H new ATOM 0 HG21 ILE A 52 2.273 4.277 5.158 1.00 43.01 H new ATOM 0 HG22 ILE A 52 3.722 5.140 5.727 1.00 43.01 H new ATOM 0 HG23 ILE A 52 2.978 5.578 4.170 1.00 43.01 H new ATOM 0 HD11 ILE A 52 1.801 1.715 2.342 1.00 5.41 H new ATOM 0 HD12 ILE A 52 2.680 1.268 3.824 1.00 5.41 H new ATOM 0 HD13 ILE A 52 1.491 2.592 3.859 1.00 5.41 H new ATOM 853 N ARG A 53 7.017 4.249 5.520 1.00 55.34 N ATOM 854 CA ARG A 53 7.894 4.707 6.609 1.00 74.41 C ATOM 855 C ARG A 53 9.073 5.534 6.062 1.00 14.03 C ATOM 856 O ARG A 53 9.633 6.369 6.769 1.00 64.04 O ATOM 857 CB ARG A 53 8.411 3.477 7.382 1.00 41.33 C ATOM 858 CG ARG A 53 9.173 3.781 8.683 1.00 2.44 C ATOM 859 CD ARG A 53 9.673 2.496 9.362 1.00 63.55 C ATOM 860 NE ARG A 53 10.162 2.753 10.724 1.00 42.34 N ATOM 861 CZ ARG A 53 10.122 1.878 11.737 1.00 5.30 C ATOM 862 NH1 ARG A 53 9.624 0.650 11.564 1.00 12.42 N ATOM 863 NH2 ARG A 53 10.556 2.259 12.930 1.00 4.35 N ATOM 0 H ARG A 53 7.085 3.246 5.345 1.00 55.34 H new ATOM 0 HA ARG A 53 7.325 5.352 7.279 1.00 74.41 H new ATOM 0 HB2 ARG A 53 7.562 2.837 7.621 1.00 41.33 H new ATOM 0 HB3 ARG A 53 9.066 2.906 6.724 1.00 41.33 H new ATOM 0 HG2 ARG A 53 10.020 4.431 8.465 1.00 2.44 H new ATOM 0 HG3 ARG A 53 8.522 4.325 9.368 1.00 2.44 H new ATOM 0 HD2 ARG A 53 8.865 1.766 9.398 1.00 63.55 H new ATOM 0 HD3 ARG A 53 10.473 2.057 8.765 1.00 63.55 H new ATOM 0 HE ARG A 53 10.564 3.671 10.913 1.00 42.34 H new ATOM 0 HH11 ARG A 53 9.268 0.368 10.651 1.00 12.42 H new ATOM 0 HH12 ARG A 53 9.600 -0.005 12.345 1.00 12.42 H new ATOM 0 HH21 ARG A 53 10.913 3.205 13.065 1.00 4.35 H new ATOM 0 HH22 ARG A 53 10.533 1.606 13.713 1.00 4.35 H new ATOM 877 N ASP A 54 9.445 5.271 4.800 1.00 72.21 N ATOM 878 CA ASP A 54 10.524 5.997 4.101 1.00 12.22 C ATOM 879 C ASP A 54 9.989 7.322 3.547 1.00 52.33 C ATOM 880 O ASP A 54 10.571 8.384 3.771 1.00 1.51 O ATOM 881 CB ASP A 54 11.096 5.120 2.952 1.00 41.31 C ATOM 882 CG ASP A 54 12.319 5.743 2.258 1.00 34.22 C ATOM 883 OD1 ASP A 54 13.438 5.647 2.809 1.00 24.15 O ATOM 884 OD2 ASP A 54 12.170 6.340 1.179 1.00 40.23 O ATOM 0 H ASP A 54 9.006 4.547 4.231 1.00 72.21 H new ATOM 0 HA ASP A 54 11.326 6.212 4.807 1.00 12.22 H new ATOM 0 HB2 ASP A 54 11.373 4.145 3.353 1.00 41.31 H new ATOM 0 HB3 ASP A 54 10.315 4.950 2.211 1.00 41.31 H new ATOM 889 N GLU A 55 8.864 7.221 2.829 1.00 74.22 N ATOM 890 CA GLU A 55 8.204 8.361 2.177 1.00 20.13 C ATOM 891 C GLU A 55 7.506 9.276 3.183 1.00 43.11 C ATOM 892 O GLU A 55 7.992 10.367 3.482 1.00 15.42 O ATOM 893 CB GLU A 55 7.202 7.841 1.114 1.00 44.44 C ATOM 894 CG GLU A 55 7.857 7.383 -0.201 1.00 13.04 C ATOM 895 CD GLU A 55 8.598 8.525 -0.924 1.00 3.40 C ATOM 896 OE1 GLU A 55 7.921 9.441 -1.430 1.00 61.13 O ATOM 897 OE2 GLU A 55 9.846 8.526 -0.967 1.00 43.42 O ATOM 0 H GLU A 55 8.380 6.335 2.682 1.00 74.22 H new ATOM 0 HA GLU A 55 8.971 8.962 1.689 1.00 20.13 H new ATOM 0 HB2 GLU A 55 6.641 7.007 1.537 1.00 44.44 H new ATOM 0 HB3 GLU A 55 6.483 8.630 0.893 1.00 44.44 H new ATOM 0 HG2 GLU A 55 8.558 6.576 0.009 1.00 13.04 H new ATOM 0 HG3 GLU A 55 7.091 6.976 -0.862 1.00 13.04 H new ATOM 904 N MET A 56 6.370 8.809 3.708 1.00 52.03 N ATOM 905 CA MET A 56 5.493 9.600 4.590 1.00 44.23 C ATOM 906 C MET A 56 5.927 9.480 6.064 1.00 31.55 C ATOM 907 O MET A 56 5.226 9.956 6.956 1.00 31.32 O ATOM 908 CB MET A 56 4.028 9.140 4.361 1.00 42.53 C ATOM 909 CG MET A 56 3.438 9.579 3.001 1.00 41.52 C ATOM 910 SD MET A 56 2.010 8.590 2.500 1.00 41.40 S ATOM 911 CE MET A 56 2.808 7.059 1.995 1.00 53.25 C ATOM 0 H MET A 56 6.026 7.865 3.534 1.00 52.03 H new ATOM 0 HA MET A 56 5.571 10.659 4.345 1.00 44.23 H new ATOM 0 HB2 MET A 56 3.984 8.053 4.431 1.00 42.53 H new ATOM 0 HB3 MET A 56 3.404 9.537 5.162 1.00 42.53 H new ATOM 0 HG2 MET A 56 3.145 10.627 3.059 1.00 41.52 H new ATOM 0 HG3 MET A 56 4.210 9.506 2.235 1.00 41.52 H new ATOM 0 HE1 MET A 56 2.221 6.210 2.345 1.00 53.25 H new ATOM 0 HE2 MET A 56 2.879 7.027 0.908 1.00 53.25 H new ATOM 0 HE3 MET A 56 3.808 7.011 2.426 1.00 53.25 H new ATOM 921 N GLY A 57 7.083 8.822 6.303 1.00 35.32 N ATOM 922 CA GLY A 57 7.696 8.753 7.632 1.00 4.22 C ATOM 923 C GLY A 57 6.888 7.957 8.652 1.00 53.24 C ATOM 924 O GLY A 57 7.224 7.960 9.838 1.00 71.30 O ATOM 0 H GLY A 57 7.608 8.330 5.580 1.00 35.32 H new ATOM 0 HA2 GLY A 57 8.686 8.306 7.541 1.00 4.22 H new ATOM 0 HA3 GLY A 57 7.837 9.766 8.008 1.00 4.22 H new ATOM 928 N VAL A 58 5.841 7.257 8.189 1.00 62.23 N ATOM 929 CA VAL A 58 4.868 6.581 9.064 1.00 73.14 C ATOM 930 C VAL A 58 4.834 5.074 8.765 1.00 42.32 C ATOM 931 O VAL A 58 4.699 4.662 7.617 1.00 3.00 O ATOM 932 CB VAL A 58 3.432 7.232 8.921 1.00 24.34 C ATOM 933 CG1 VAL A 58 2.928 7.241 7.460 1.00 14.34 C ATOM 934 CG2 VAL A 58 2.400 6.545 9.839 1.00 54.34 C ATOM 0 H VAL A 58 5.644 7.143 7.195 1.00 62.23 H new ATOM 0 HA VAL A 58 5.184 6.711 10.099 1.00 73.14 H new ATOM 0 HB VAL A 58 3.539 8.269 9.238 1.00 24.34 H new ATOM 0 HG11 VAL A 58 1.939 7.698 7.419 1.00 14.34 H new ATOM 0 HG12 VAL A 58 3.618 7.813 6.840 1.00 14.34 H new ATOM 0 HG13 VAL A 58 2.870 6.218 7.089 1.00 14.34 H new ATOM 0 HG21 VAL A 58 1.427 7.020 9.712 1.00 54.34 H new ATOM 0 HG22 VAL A 58 2.326 5.490 9.577 1.00 54.34 H new ATOM 0 HG23 VAL A 58 2.717 6.639 10.878 1.00 54.34 H new ATOM 944 N SER A 59 5.005 4.250 9.804 1.00 44.12 N ATOM 945 CA SER A 59 4.878 2.798 9.698 1.00 51.34 C ATOM 946 C SER A 59 3.507 2.397 10.250 1.00 11.12 C ATOM 947 O SER A 59 3.150 2.800 11.372 1.00 40.13 O ATOM 948 CB SER A 59 6.024 2.104 10.470 1.00 20.44 C ATOM 949 OG SER A 59 6.024 0.700 10.262 1.00 15.14 O ATOM 0 H SER A 59 5.236 4.575 10.743 1.00 44.12 H new ATOM 0 HA SER A 59 4.953 2.482 8.657 1.00 51.34 H new ATOM 0 HB2 SER A 59 6.980 2.519 10.152 1.00 20.44 H new ATOM 0 HB3 SER A 59 5.924 2.314 11.535 1.00 20.44 H new ATOM 0 HG SER A 59 6.762 0.295 10.763 1.00 15.14 H new ATOM 955 N ILE A 60 2.725 1.644 9.452 1.00 13.51 N ATOM 956 CA ILE A 60 1.428 1.118 9.884 1.00 73.31 C ATOM 957 C ILE A 60 1.654 0.074 11.007 1.00 44.34 C ATOM 958 O ILE A 60 2.446 -0.862 10.817 1.00 30.11 O ATOM 959 CB ILE A 60 0.620 0.456 8.703 1.00 41.12 C ATOM 960 CG1 ILE A 60 0.378 1.474 7.545 1.00 61.53 C ATOM 961 CG2 ILE A 60 -0.719 -0.130 9.212 1.00 23.22 C ATOM 962 CD1 ILE A 60 -0.586 0.996 6.469 1.00 10.12 C ATOM 0 H ILE A 60 2.978 1.388 8.498 1.00 13.51 H new ATOM 0 HA ILE A 60 0.835 1.957 10.249 1.00 73.31 H new ATOM 0 HB ILE A 60 1.220 -0.363 8.306 1.00 41.12 H new ATOM 0 HG12 ILE A 60 -0.004 2.402 7.970 1.00 61.53 H new ATOM 0 HG13 ILE A 60 1.335 1.707 7.079 1.00 61.53 H new ATOM 0 HG21 ILE A 60 -1.259 -0.581 8.379 1.00 23.22 H new ATOM 0 HG22 ILE A 60 -0.520 -0.889 9.969 1.00 23.22 H new ATOM 0 HG23 ILE A 60 -1.323 0.667 9.647 1.00 23.22 H new ATOM 0 HD11 ILE A 60 -0.692 1.768 5.707 1.00 10.12 H new ATOM 0 HD12 ILE A 60 -0.199 0.086 6.012 1.00 10.12 H new ATOM 0 HD13 ILE A 60 -1.559 0.792 6.917 1.00 10.12 H new ATOM 974 N PRO A 61 0.983 0.231 12.195 1.00 55.14 N ATOM 975 CA PRO A 61 1.074 -0.753 13.296 1.00 62.11 C ATOM 976 C PRO A 61 0.408 -2.091 12.901 1.00 4.24 C ATOM 977 O PRO A 61 -0.493 -2.111 12.050 1.00 14.11 O ATOM 978 CB PRO A 61 0.333 -0.048 14.464 1.00 74.40 C ATOM 979 CG PRO A 61 -0.617 0.904 13.795 1.00 72.41 C ATOM 980 CD PRO A 61 0.089 1.375 12.546 1.00 0.34 C ATOM 0 HA PRO A 61 2.098 -1.021 13.557 1.00 62.11 H new ATOM 0 HB2 PRO A 61 -0.200 -0.767 15.086 1.00 74.40 H new ATOM 0 HB3 PRO A 61 1.031 0.480 15.114 1.00 74.40 H new ATOM 0 HG2 PRO A 61 -1.558 0.411 13.551 1.00 72.41 H new ATOM 0 HG3 PRO A 61 -0.857 1.742 14.449 1.00 72.41 H new ATOM 0 HD2 PRO A 61 -0.617 1.593 11.744 1.00 0.34 H new ATOM 0 HD3 PRO A 61 0.657 2.287 12.727 1.00 0.34 H new ATOM 988 N SER A 62 0.850 -3.192 13.535 1.00 25.42 N ATOM 989 CA SER A 62 0.423 -4.565 13.188 1.00 42.14 C ATOM 990 C SER A 62 -1.089 -4.796 13.394 1.00 44.42 C ATOM 991 O SER A 62 -1.680 -5.692 12.775 1.00 24.20 O ATOM 992 CB SER A 62 1.257 -5.572 13.992 1.00 73.22 C ATOM 993 OG SER A 62 1.159 -5.322 15.383 1.00 34.34 O ATOM 0 H SER A 62 1.517 -3.157 14.306 1.00 25.42 H new ATOM 0 HA SER A 62 0.599 -4.711 12.122 1.00 42.14 H new ATOM 0 HB2 SER A 62 0.916 -6.585 13.777 1.00 73.22 H new ATOM 0 HB3 SER A 62 2.300 -5.514 13.682 1.00 73.22 H new ATOM 0 HG SER A 62 1.698 -5.978 15.872 1.00 34.34 H new ATOM 999 N THR A 63 -1.700 -3.971 14.255 1.00 14.23 N ATOM 1000 CA THR A 63 -3.154 -3.961 14.473 1.00 52.10 C ATOM 1001 C THR A 63 -3.923 -3.600 13.174 1.00 12.21 C ATOM 1002 O THR A 63 -5.058 -4.040 12.965 1.00 1.34 O ATOM 1003 CB THR A 63 -3.503 -2.968 15.630 1.00 42.31 C ATOM 1004 OG1 THR A 63 -4.901 -2.972 15.921 1.00 54.51 O ATOM 1005 CG2 THR A 63 -3.052 -1.531 15.325 1.00 11.12 C ATOM 0 H THR A 63 -1.198 -3.288 14.823 1.00 14.23 H new ATOM 0 HA THR A 63 -3.469 -4.964 14.759 1.00 52.10 H new ATOM 0 HB THR A 63 -2.954 -3.321 16.503 1.00 42.31 H new ATOM 0 HG1 THR A 63 -5.085 -2.342 16.649 1.00 54.51 H new ATOM 0 HG21 THR A 63 -3.318 -0.882 16.159 1.00 11.12 H new ATOM 0 HG22 THR A 63 -1.972 -1.512 15.180 1.00 11.12 H new ATOM 0 HG23 THR A 63 -3.546 -1.179 14.419 1.00 11.12 H new ATOM 1013 N HIS A 64 -3.276 -2.804 12.298 1.00 64.43 N ATOM 1014 CA HIS A 64 -3.841 -2.396 10.997 1.00 32.05 C ATOM 1015 C HIS A 64 -3.191 -3.160 9.830 1.00 10.03 C ATOM 1016 O HIS A 64 -3.502 -2.876 8.668 1.00 64.24 O ATOM 1017 CB HIS A 64 -3.701 -0.868 10.806 1.00 4.50 C ATOM 1018 CG HIS A 64 -4.448 -0.013 11.801 1.00 14.21 C ATOM 1019 ND1 HIS A 64 -5.654 -0.379 12.363 1.00 62.23 N ATOM 1020 CD2 HIS A 64 -4.156 1.207 12.322 1.00 40.33 C ATOM 1021 CE1 HIS A 64 -6.069 0.572 13.173 1.00 22.32 C ATOM 1022 NE2 HIS A 64 -5.177 1.541 13.170 1.00 41.40 N ATOM 0 H HIS A 64 -2.345 -2.426 12.474 1.00 64.43 H new ATOM 0 HA HIS A 64 -4.901 -2.651 10.997 1.00 32.05 H new ATOM 0 HB2 HIS A 64 -2.643 -0.610 10.855 1.00 4.50 H new ATOM 0 HB3 HIS A 64 -4.046 -0.612 9.804 1.00 4.50 H new ATOM 0 HD1 HIS A 64 -6.148 -1.252 12.179 1.00 62.23 H new ATOM 0 HD2 HIS A 64 -3.281 1.803 12.107 1.00 40.33 H new ATOM 0 HE1 HIS A 64 -6.986 0.560 13.744 1.00 22.32 H new ATOM 1031 N ILE A 65 -2.302 -4.134 10.116 1.00 63.34 N ATOM 1032 CA ILE A 65 -1.727 -4.980 9.054 1.00 60.24 C ATOM 1033 C ILE A 65 -2.648 -6.170 8.826 1.00 31.34 C ATOM 1034 O ILE A 65 -2.517 -7.210 9.482 1.00 41.10 O ATOM 1035 CB ILE A 65 -0.280 -5.488 9.401 1.00 64.22 C ATOM 1036 CG1 ILE A 65 0.673 -4.300 9.703 1.00 32.21 C ATOM 1037 CG2 ILE A 65 0.296 -6.380 8.271 1.00 61.14 C ATOM 1038 CD1 ILE A 65 0.813 -3.305 8.588 1.00 54.10 C ATOM 0 H ILE A 65 -1.972 -4.351 11.057 1.00 63.34 H new ATOM 0 HA ILE A 65 -1.642 -4.374 8.152 1.00 60.24 H new ATOM 0 HB ILE A 65 -0.357 -6.099 10.300 1.00 64.22 H new ATOM 0 HG12 ILE A 65 0.313 -3.781 10.591 1.00 32.21 H new ATOM 0 HG13 ILE A 65 1.660 -4.696 9.943 1.00 32.21 H new ATOM 0 HG21 ILE A 65 1.297 -6.713 8.545 1.00 61.14 H new ATOM 0 HG22 ILE A 65 -0.348 -7.247 8.128 1.00 61.14 H new ATOM 0 HG23 ILE A 65 0.345 -5.808 7.345 1.00 61.14 H new ATOM 0 HD11 ILE A 65 1.497 -2.513 8.891 1.00 54.10 H new ATOM 0 HD12 ILE A 65 1.205 -3.804 7.702 1.00 54.10 H new ATOM 0 HD13 ILE A 65 -0.162 -2.874 8.360 1.00 54.10 H new ATOM 1050 N THR A 66 -3.626 -5.976 7.940 1.00 31.53 N ATOM 1051 CA THR A 66 -4.522 -7.040 7.497 1.00 63.41 C ATOM 1052 C THR A 66 -5.184 -6.663 6.150 1.00 30.33 C ATOM 1053 O THR A 66 -5.035 -5.533 5.675 1.00 10.42 O ATOM 1054 CB THR A 66 -5.569 -7.393 8.609 1.00 64.20 C ATOM 1055 OG1 THR A 66 -6.411 -8.478 8.193 1.00 52.33 O ATOM 1056 CG2 THR A 66 -6.410 -6.171 8.990 1.00 1.01 C ATOM 0 H THR A 66 -3.818 -5.072 7.509 1.00 31.53 H new ATOM 0 HA THR A 66 -3.939 -7.945 7.325 1.00 63.41 H new ATOM 0 HB THR A 66 -5.017 -7.708 9.494 1.00 64.20 H new ATOM 0 HG1 THR A 66 -7.055 -8.683 8.902 1.00 52.33 H new ATOM 0 HG21 THR A 66 -7.126 -6.449 9.763 1.00 1.01 H new ATOM 0 HG22 THR A 66 -5.757 -5.383 9.366 1.00 1.01 H new ATOM 0 HG23 THR A 66 -6.946 -5.810 8.112 1.00 1.01 H new ATOM 1064 N GLY A 67 -5.946 -7.613 5.577 1.00 11.14 N ATOM 1065 CA GLY A 67 -6.491 -7.499 4.222 1.00 25.41 C ATOM 1066 C GLY A 67 -7.527 -6.394 4.011 1.00 50.41 C ATOM 1067 O GLY A 67 -7.688 -5.920 2.887 1.00 43.52 O ATOM 0 H GLY A 67 -6.199 -8.482 6.047 1.00 11.14 H new ATOM 0 HA2 GLY A 67 -5.664 -7.332 3.531 1.00 25.41 H new ATOM 0 HA3 GLY A 67 -6.945 -8.453 3.952 1.00 25.41 H new ATOM 1071 N LYS A 68 -8.239 -5.987 5.081 1.00 72.44 N ATOM 1072 CA LYS A 68 -9.296 -4.956 4.981 1.00 34.44 C ATOM 1073 C LYS A 68 -8.685 -3.552 4.823 1.00 23.43 C ATOM 1074 O LYS A 68 -9.234 -2.706 4.114 1.00 1.43 O ATOM 1075 CB LYS A 68 -10.258 -5.014 6.208 1.00 5.40 C ATOM 1076 CG LYS A 68 -9.634 -4.609 7.565 1.00 11.21 C ATOM 1077 CD LYS A 68 -10.613 -4.704 8.776 1.00 23.10 C ATOM 1078 CE LYS A 68 -10.761 -6.128 9.366 1.00 62.31 C ATOM 1079 NZ LYS A 68 -11.414 -7.087 8.439 1.00 64.14 N ATOM 0 H LYS A 68 -8.103 -6.354 6.023 1.00 72.44 H new ATOM 0 HA LYS A 68 -9.884 -5.168 4.088 1.00 34.44 H new ATOM 0 HB2 LYS A 68 -11.109 -4.363 6.011 1.00 5.40 H new ATOM 0 HB3 LYS A 68 -10.646 -6.029 6.295 1.00 5.40 H new ATOM 0 HG2 LYS A 68 -8.771 -5.246 7.759 1.00 11.21 H new ATOM 0 HG3 LYS A 68 -9.265 -3.586 7.491 1.00 11.21 H new ATOM 0 HD2 LYS A 68 -10.267 -4.032 9.561 1.00 23.10 H new ATOM 0 HD3 LYS A 68 -11.595 -4.349 8.463 1.00 23.10 H new ATOM 0 HE2 LYS A 68 -9.774 -6.507 9.633 1.00 62.31 H new ATOM 0 HE3 LYS A 68 -11.341 -6.073 10.287 1.00 62.31 H new ATOM 0 HZ1 LYS A 68 -11.889 -7.832 8.988 1.00 64.14 H new ATOM 0 HZ2 LYS A 68 -12.115 -6.585 7.857 1.00 64.14 H new ATOM 0 HZ3 LYS A 68 -10.696 -7.517 7.822 1.00 64.14 H new ATOM 1093 N TYR A 69 -7.532 -3.331 5.478 1.00 73.30 N ATOM 1094 CA TYR A 69 -6.798 -2.054 5.404 1.00 41.02 C ATOM 1095 C TYR A 69 -5.955 -2.008 4.135 1.00 33.44 C ATOM 1096 O TYR A 69 -5.904 -0.993 3.444 1.00 5.22 O ATOM 1097 CB TYR A 69 -5.892 -1.877 6.638 1.00 25.04 C ATOM 1098 CG TYR A 69 -6.664 -1.662 7.952 1.00 62.21 C ATOM 1099 CD1 TYR A 69 -7.174 -0.409 8.278 1.00 5.21 C ATOM 1100 CD2 TYR A 69 -6.877 -2.694 8.865 1.00 42.03 C ATOM 1101 CE1 TYR A 69 -7.861 -0.195 9.449 1.00 33.00 C ATOM 1102 CE2 TYR A 69 -7.571 -2.483 10.043 1.00 63.42 C ATOM 1103 CZ TYR A 69 -8.059 -1.227 10.327 1.00 63.42 C ATOM 1104 OH TYR A 69 -8.745 -0.992 11.492 1.00 0.33 O ATOM 0 H TYR A 69 -7.084 -4.029 6.071 1.00 73.30 H new ATOM 0 HA TYR A 69 -7.524 -1.241 5.383 1.00 41.02 H new ATOM 0 HB2 TYR A 69 -5.258 -2.758 6.740 1.00 25.04 H new ATOM 0 HB3 TYR A 69 -5.231 -1.026 6.473 1.00 25.04 H new ATOM 0 HD1 TYR A 69 -7.027 0.414 7.595 1.00 5.21 H new ATOM 0 HD2 TYR A 69 -6.492 -3.679 8.648 1.00 42.03 H new ATOM 0 HE1 TYR A 69 -8.245 0.788 9.677 1.00 33.00 H new ATOM 0 HE2 TYR A 69 -7.729 -3.297 10.735 1.00 63.42 H new ATOM 0 HH TYR A 69 -8.804 -1.822 12.010 1.00 0.33 H new ATOM 1114 N PHE A 70 -5.327 -3.147 3.824 1.00 33.24 N ATOM 1115 CA PHE A 70 -4.400 -3.281 2.685 1.00 54.11 C ATOM 1116 C PHE A 70 -5.128 -3.671 1.399 1.00 74.52 C ATOM 1117 O PHE A 70 -4.470 -3.950 0.388 1.00 63.13 O ATOM 1118 CB PHE A 70 -3.270 -4.290 3.034 1.00 34.00 C ATOM 1119 CG PHE A 70 -2.170 -3.678 3.902 1.00 53.53 C ATOM 1120 CD1 PHE A 70 -2.429 -3.276 5.207 1.00 33.42 C ATOM 1121 CD2 PHE A 70 -0.889 -3.466 3.390 1.00 14.32 C ATOM 1122 CE1 PHE A 70 -1.448 -2.693 5.969 1.00 2.14 C ATOM 1123 CE2 PHE A 70 0.088 -2.879 4.155 1.00 33.24 C ATOM 1124 CZ PHE A 70 -0.187 -2.491 5.438 1.00 70.24 C ATOM 0 H PHE A 70 -5.445 -4.009 4.356 1.00 33.24 H new ATOM 0 HA PHE A 70 -3.947 -2.307 2.499 1.00 54.11 H new ATOM 0 HB2 PHE A 70 -3.702 -5.145 3.554 1.00 34.00 H new ATOM 0 HB3 PHE A 70 -2.829 -4.667 2.111 1.00 34.00 H new ATOM 0 HD1 PHE A 70 -3.413 -3.424 5.626 1.00 33.42 H new ATOM 0 HD2 PHE A 70 -0.663 -3.768 2.378 1.00 14.32 H new ATOM 0 HE1 PHE A 70 -1.661 -2.392 6.984 1.00 2.14 H new ATOM 0 HE2 PHE A 70 1.074 -2.723 3.744 1.00 33.24 H new ATOM 0 HZ PHE A 70 0.582 -2.026 6.037 1.00 70.24 H new ATOM 1134 N LYS A 71 -6.476 -3.595 1.444 1.00 1.11 N ATOM 1135 CA LYS A 71 -7.394 -4.034 0.389 1.00 24.34 C ATOM 1136 C LYS A 71 -6.934 -3.547 -0.990 1.00 42.35 C ATOM 1137 O LYS A 71 -6.667 -4.341 -1.871 1.00 15.34 O ATOM 1138 CB LYS A 71 -8.814 -3.458 0.703 1.00 55.34 C ATOM 1139 CG LYS A 71 -9.999 -4.407 0.449 1.00 3.25 C ATOM 1140 CD LYS A 71 -11.336 -3.654 0.194 1.00 44.15 C ATOM 1141 CE LYS A 71 -11.601 -2.484 1.163 1.00 71.23 C ATOM 1142 NZ LYS A 71 -11.595 -2.911 2.587 1.00 74.03 N ATOM 0 H LYS A 71 -6.966 -3.210 2.251 1.00 1.11 H new ATOM 0 HA LYS A 71 -7.414 -5.124 0.366 1.00 24.34 H new ATOM 0 HB2 LYS A 71 -8.837 -3.152 1.749 1.00 55.34 H new ATOM 0 HB3 LYS A 71 -8.960 -2.559 0.105 1.00 55.34 H new ATOM 0 HG2 LYS A 71 -9.774 -5.038 -0.411 1.00 3.25 H new ATOM 0 HG3 LYS A 71 -10.119 -5.068 1.307 1.00 3.25 H new ATOM 0 HD2 LYS A 71 -11.335 -3.272 -0.827 1.00 44.15 H new ATOM 0 HD3 LYS A 71 -12.159 -4.365 0.267 1.00 44.15 H new ATOM 0 HE2 LYS A 71 -10.843 -1.715 1.015 1.00 71.23 H new ATOM 0 HE3 LYS A 71 -12.564 -2.032 0.927 1.00 71.23 H new ATOM 0 HZ1 LYS A 71 -12.297 -2.357 3.118 1.00 74.03 H new ATOM 0 HZ2 LYS A 71 -11.834 -3.921 2.647 1.00 74.03 H new ATOM 0 HZ3 LYS A 71 -10.650 -2.753 2.993 1.00 74.03 H new ATOM 1156 N ASP A 72 -6.742 -2.227 -1.084 1.00 51.33 N ATOM 1157 CA ASP A 72 -6.445 -1.525 -2.338 1.00 30.14 C ATOM 1158 C ASP A 72 -5.880 -0.144 -2.008 1.00 64.14 C ATOM 1159 O ASP A 72 -5.624 0.157 -0.838 1.00 54.51 O ATOM 1160 CB ASP A 72 -7.711 -1.414 -3.223 1.00 63.44 C ATOM 1161 CG ASP A 72 -8.825 -0.569 -2.593 1.00 21.05 C ATOM 1162 OD1 ASP A 72 -9.560 -1.085 -1.727 1.00 51.42 O ATOM 1163 OD2 ASP A 72 -8.959 0.612 -2.955 1.00 63.24 O ATOM 0 H ASP A 72 -6.789 -1.605 -0.277 1.00 51.33 H new ATOM 0 HA ASP A 72 -5.706 -2.090 -2.905 1.00 30.14 H new ATOM 0 HB2 ASP A 72 -7.436 -0.980 -4.184 1.00 63.44 H new ATOM 0 HB3 ASP A 72 -8.094 -2.415 -3.423 1.00 63.44 H new ATOM 1168 N LEU A 73 -5.663 0.683 -3.042 1.00 5.52 N ATOM 1169 CA LEU A 73 -5.014 1.996 -2.888 1.00 75.04 C ATOM 1170 C LEU A 73 -5.873 2.932 -2.057 1.00 12.12 C ATOM 1171 O LEU A 73 -5.350 3.646 -1.221 1.00 72.44 O ATOM 1172 CB LEU A 73 -4.687 2.594 -4.275 1.00 12.12 C ATOM 1173 CG LEU A 73 -3.771 3.869 -4.336 1.00 53.53 C ATOM 1174 CD1 LEU A 73 -3.011 3.917 -5.675 1.00 22.23 C ATOM 1175 CD2 LEU A 73 -4.568 5.186 -4.144 1.00 20.23 C ATOM 0 H LEU A 73 -5.930 0.464 -4.002 1.00 5.52 H new ATOM 0 HA LEU A 73 -4.075 1.864 -2.351 1.00 75.04 H new ATOM 0 HB2 LEU A 73 -4.212 1.814 -4.870 1.00 12.12 H new ATOM 0 HB3 LEU A 73 -5.630 2.838 -4.763 1.00 12.12 H new ATOM 0 HG LEU A 73 -3.065 3.789 -3.509 1.00 53.53 H new ATOM 0 HD11 LEU A 73 -2.380 4.805 -5.704 1.00 22.23 H new ATOM 0 HD12 LEU A 73 -2.389 3.027 -5.772 1.00 22.23 H new ATOM 0 HD13 LEU A 73 -3.725 3.952 -6.498 1.00 22.23 H new ATOM 0 HD21 LEU A 73 -3.886 6.035 -4.195 1.00 20.23 H new ATOM 0 HD22 LEU A 73 -5.318 5.275 -4.930 1.00 20.23 H new ATOM 0 HD23 LEU A 73 -5.061 5.175 -3.172 1.00 20.23 H new ATOM 1187 N ASN A 74 -7.184 2.879 -2.289 1.00 11.52 N ATOM 1188 CA ASN A 74 -8.158 3.779 -1.634 1.00 34.22 C ATOM 1189 C ASN A 74 -8.404 3.351 -0.175 1.00 70.43 C ATOM 1190 O ASN A 74 -8.686 4.200 0.682 1.00 73.42 O ATOM 1191 CB ASN A 74 -9.485 3.808 -2.434 1.00 44.31 C ATOM 1192 CG ASN A 74 -9.267 4.194 -3.899 1.00 22.12 C ATOM 1193 OD1 ASN A 74 -9.292 5.374 -4.258 1.00 22.11 O ATOM 1194 ND2 ASN A 74 -9.064 3.197 -4.751 1.00 13.12 N ATOM 0 H ASN A 74 -7.610 2.214 -2.935 1.00 11.52 H new ATOM 0 HA ASN A 74 -7.743 4.787 -1.620 1.00 34.22 H new ATOM 0 HB2 ASN A 74 -9.959 2.828 -2.385 1.00 44.31 H new ATOM 0 HB3 ASN A 74 -10.171 4.517 -1.971 1.00 44.31 H new ATOM 0 HD21 ASN A 74 -8.922 3.394 -5.742 1.00 13.12 H new ATOM 0 HD22 ASN A 74 -9.050 2.234 -4.415 1.00 13.12 H new ATOM 1201 N ALA A 75 -8.278 2.038 0.099 1.00 12.03 N ATOM 1202 CA ALA A 75 -8.375 1.502 1.469 1.00 25.52 C ATOM 1203 C ALA A 75 -7.156 1.926 2.307 1.00 14.34 C ATOM 1204 O ALA A 75 -7.307 2.480 3.407 1.00 41.45 O ATOM 1205 CB ALA A 75 -8.524 -0.014 1.433 1.00 64.44 C ATOM 0 H ALA A 75 -8.108 1.328 -0.613 1.00 12.03 H new ATOM 0 HA ALA A 75 -9.263 1.918 1.946 1.00 25.52 H new ATOM 0 HB1 ALA A 75 -8.595 -0.397 2.451 1.00 64.44 H new ATOM 0 HB2 ALA A 75 -9.427 -0.278 0.883 1.00 64.44 H new ATOM 0 HB3 ALA A 75 -7.657 -0.453 0.939 1.00 64.44 H new ATOM 1211 N ILE A 76 -5.946 1.680 1.757 1.00 64.22 N ATOM 1212 CA ILE A 76 -4.684 2.128 2.368 1.00 30.42 C ATOM 1213 C ILE A 76 -4.637 3.648 2.430 1.00 14.13 C ATOM 1214 O ILE A 76 -4.107 4.179 3.377 1.00 4.23 O ATOM 1215 CB ILE A 76 -3.408 1.562 1.621 1.00 33.44 C ATOM 1216 CG1 ILE A 76 -3.287 0.028 1.848 1.00 2.01 C ATOM 1217 CG2 ILE A 76 -2.097 2.286 2.041 1.00 34.33 C ATOM 1218 CD1 ILE A 76 -2.010 -0.613 1.335 1.00 50.32 C ATOM 0 H ILE A 76 -5.822 1.169 0.883 1.00 64.22 H new ATOM 0 HA ILE A 76 -4.659 1.725 3.380 1.00 30.42 H new ATOM 0 HB ILE A 76 -3.545 1.758 0.558 1.00 33.44 H new ATOM 0 HG12 ILE A 76 -3.368 -0.170 2.917 1.00 2.01 H new ATOM 0 HG13 ILE A 76 -4.135 -0.460 1.368 1.00 2.01 H new ATOM 0 HG21 ILE A 76 -1.255 1.857 1.498 1.00 34.33 H new ATOM 0 HG22 ILE A 76 -2.177 3.348 1.808 1.00 34.33 H new ATOM 0 HG23 ILE A 76 -1.939 2.161 3.112 1.00 34.33 H new ATOM 0 HD11 ILE A 76 -2.030 -1.682 1.545 1.00 50.32 H new ATOM 0 HD12 ILE A 76 -1.931 -0.456 0.259 1.00 50.32 H new ATOM 0 HD13 ILE A 76 -1.151 -0.162 1.832 1.00 50.32 H new ATOM 1230 N SER A 77 -5.243 4.323 1.432 1.00 4.01 N ATOM 1231 CA SER A 77 -5.300 5.797 1.380 1.00 24.33 C ATOM 1232 C SER A 77 -5.905 6.343 2.668 1.00 54.13 C ATOM 1233 O SER A 77 -5.237 7.037 3.415 1.00 64.43 O ATOM 1234 CB SER A 77 -6.110 6.275 0.146 1.00 22.31 C ATOM 1235 OG SER A 77 -6.294 7.682 0.112 1.00 34.53 O ATOM 0 H SER A 77 -5.703 3.865 0.645 1.00 4.01 H new ATOM 0 HA SER A 77 -4.284 6.180 1.282 1.00 24.33 H new ATOM 0 HB2 SER A 77 -5.597 5.960 -0.762 1.00 22.31 H new ATOM 0 HB3 SER A 77 -7.085 5.787 0.147 1.00 22.31 H new ATOM 0 HG SER A 77 -7.138 7.891 -0.341 1.00 34.53 H new ATOM 1241 N ARG A 78 -7.135 5.929 2.959 1.00 23.33 N ATOM 1242 CA ARG A 78 -7.875 6.422 4.128 1.00 31.13 C ATOM 1243 C ARG A 78 -7.181 6.037 5.444 1.00 72.42 C ATOM 1244 O ARG A 78 -7.241 6.796 6.423 1.00 30.34 O ATOM 1245 CB ARG A 78 -9.328 5.899 4.083 1.00 62.44 C ATOM 1246 CG ARG A 78 -10.172 6.493 2.936 1.00 25.01 C ATOM 1247 CD ARG A 78 -10.171 8.033 2.951 1.00 64.14 C ATOM 1248 NE ARG A 78 -10.944 8.590 1.838 1.00 22.22 N ATOM 1249 CZ ARG A 78 -10.589 9.638 1.086 1.00 10.52 C ATOM 1250 NH1 ARG A 78 -9.453 10.296 1.305 1.00 44.45 N ATOM 1251 NH2 ARG A 78 -11.383 10.005 0.093 1.00 22.12 N ATOM 0 H ARG A 78 -7.648 5.248 2.399 1.00 23.33 H new ATOM 0 HA ARG A 78 -7.893 7.511 4.091 1.00 31.13 H new ATOM 0 HB2 ARG A 78 -9.310 4.814 3.983 1.00 62.44 H new ATOM 0 HB3 ARG A 78 -9.814 6.124 5.032 1.00 62.44 H new ATOM 0 HG2 ARG A 78 -9.783 6.140 1.981 1.00 25.01 H new ATOM 0 HG3 ARG A 78 -11.197 6.131 3.016 1.00 25.01 H new ATOM 0 HD2 ARG A 78 -10.586 8.387 3.895 1.00 64.14 H new ATOM 0 HD3 ARG A 78 -9.145 8.396 2.898 1.00 64.14 H new ATOM 0 HE ARG A 78 -11.832 8.139 1.617 1.00 22.22 H new ATOM 0 HH11 ARG A 78 -8.832 10.004 2.060 1.00 44.45 H new ATOM 0 HH12 ARG A 78 -9.204 11.092 0.718 1.00 44.45 H new ATOM 0 HH21 ARG A 78 -12.246 9.492 -0.086 1.00 22.12 H new ATOM 0 HH22 ARG A 78 -11.132 10.801 -0.493 1.00 22.12 H new ATOM 1265 N THR A 79 -6.498 4.883 5.442 1.00 3.31 N ATOM 1266 CA THR A 79 -5.776 4.389 6.619 1.00 33.02 C ATOM 1267 C THR A 79 -4.427 5.098 6.808 1.00 61.50 C ATOM 1268 O THR A 79 -4.023 5.354 7.934 1.00 12.31 O ATOM 1269 CB THR A 79 -5.568 2.848 6.557 1.00 54.25 C ATOM 1270 OG1 THR A 79 -6.845 2.208 6.402 1.00 74.13 O ATOM 1271 CG2 THR A 79 -4.862 2.308 7.822 1.00 24.12 C ATOM 0 H THR A 79 -6.432 4.271 4.629 1.00 3.31 H new ATOM 0 HA THR A 79 -6.400 4.619 7.483 1.00 33.02 H new ATOM 0 HB THR A 79 -4.925 2.626 5.705 1.00 54.25 H new ATOM 0 HG1 THR A 79 -7.126 2.261 5.465 1.00 74.13 H new ATOM 0 HG21 THR A 79 -4.737 1.229 7.736 1.00 24.12 H new ATOM 0 HG22 THR A 79 -3.884 2.780 7.922 1.00 24.12 H new ATOM 0 HG23 THR A 79 -5.466 2.535 8.701 1.00 24.12 H new ATOM 1279 N VAL A 80 -3.751 5.443 5.718 1.00 24.03 N ATOM 1280 CA VAL A 80 -2.408 6.030 5.792 1.00 4.54 C ATOM 1281 C VAL A 80 -2.532 7.522 6.095 1.00 22.34 C ATOM 1282 O VAL A 80 -1.838 8.025 6.975 1.00 74.23 O ATOM 1283 CB VAL A 80 -1.552 5.769 4.486 1.00 33.31 C ATOM 1284 CG1 VAL A 80 -2.031 6.571 3.253 1.00 4.11 C ATOM 1285 CG2 VAL A 80 -0.061 6.017 4.748 1.00 32.04 C ATOM 0 H VAL A 80 -4.107 5.328 4.769 1.00 24.03 H new ATOM 0 HA VAL A 80 -1.865 5.539 6.599 1.00 4.54 H new ATOM 0 HB VAL A 80 -1.703 4.718 4.239 1.00 33.31 H new ATOM 0 HG11 VAL A 80 -1.395 6.339 2.399 1.00 4.11 H new ATOM 0 HG12 VAL A 80 -3.062 6.302 3.022 1.00 4.11 H new ATOM 0 HG13 VAL A 80 -1.974 7.638 3.468 1.00 4.11 H new ATOM 0 HG21 VAL A 80 0.505 5.831 3.835 1.00 32.04 H new ATOM 0 HG22 VAL A 80 0.086 7.050 5.062 1.00 32.04 H new ATOM 0 HG23 VAL A 80 0.287 5.346 5.534 1.00 32.04 H new ATOM 1295 N GLU A 81 -3.514 8.181 5.441 1.00 40.23 N ATOM 1296 CA GLU A 81 -3.711 9.639 5.530 1.00 73.15 C ATOM 1297 C GLU A 81 -4.094 10.023 6.959 1.00 2.11 C ATOM 1298 O GLU A 81 -3.656 11.072 7.461 1.00 2.43 O ATOM 1299 CB GLU A 81 -4.799 10.119 4.538 1.00 51.22 C ATOM 1300 CG GLU A 81 -4.461 9.934 3.042 1.00 44.24 C ATOM 1301 CD GLU A 81 -5.648 10.255 2.107 1.00 51.12 C ATOM 1302 OE1 GLU A 81 -6.734 9.651 2.283 1.00 63.35 O ATOM 1303 OE2 GLU A 81 -5.504 11.082 1.182 1.00 72.34 O ATOM 0 H GLU A 81 -4.191 7.714 4.837 1.00 40.23 H new ATOM 0 HA GLU A 81 -2.774 10.128 5.263 1.00 73.15 H new ATOM 0 HB2 GLU A 81 -5.724 9.584 4.753 1.00 51.22 H new ATOM 0 HB3 GLU A 81 -4.993 11.176 4.721 1.00 51.22 H new ATOM 0 HG2 GLU A 81 -3.619 10.577 2.784 1.00 44.24 H new ATOM 0 HG3 GLU A 81 -4.141 8.906 2.873 1.00 44.24 H new ATOM 1310 N GLN A 82 -4.897 9.149 7.613 1.00 64.32 N ATOM 1311 CA GLN A 82 -5.280 9.350 9.010 1.00 42.15 C ATOM 1312 C GLN A 82 -4.055 9.236 9.915 1.00 1.14 C ATOM 1313 O GLN A 82 -3.901 10.057 10.781 1.00 0.23 O ATOM 1314 CB GLN A 82 -6.414 8.388 9.478 1.00 50.44 C ATOM 1315 CG GLN A 82 -6.015 6.906 9.650 1.00 64.12 C ATOM 1316 CD GLN A 82 -7.150 6.041 10.194 1.00 54.23 C ATOM 1317 OE1 GLN A 82 -7.919 5.458 9.434 1.00 54.42 O ATOM 1318 NE2 GLN A 82 -7.250 5.930 11.510 1.00 71.32 N ATOM 0 H GLN A 82 -5.284 8.306 7.188 1.00 64.32 H new ATOM 0 HA GLN A 82 -5.689 10.358 9.086 1.00 42.15 H new ATOM 0 HB2 GLN A 82 -6.803 8.752 10.429 1.00 50.44 H new ATOM 0 HB3 GLN A 82 -7.230 8.443 8.758 1.00 50.44 H new ATOM 0 HG2 GLN A 82 -5.692 6.509 8.688 1.00 64.12 H new ATOM 0 HG3 GLN A 82 -5.161 6.841 10.324 1.00 64.12 H new ATOM 0 HE21 GLN A 82 -6.596 6.427 12.115 1.00 71.32 H new ATOM 0 HE22 GLN A 82 -7.981 5.348 11.919 1.00 71.32 H new ATOM 1327 N LEU A 83 -3.130 8.281 9.628 1.00 4.04 N ATOM 1328 CA LEU A 83 -2.013 7.960 10.547 1.00 41.23 C ATOM 1329 C LEU A 83 -1.068 9.152 10.725 1.00 54.21 C ATOM 1330 O LEU A 83 -0.606 9.396 11.832 1.00 3.43 O ATOM 1331 CB LEU A 83 -1.226 6.724 10.052 1.00 44.53 C ATOM 1332 CG LEU A 83 -1.937 5.347 10.183 1.00 43.05 C ATOM 1333 CD1 LEU A 83 -1.115 4.233 9.502 1.00 14.41 C ATOM 1334 CD2 LEU A 83 -2.209 5.000 11.660 1.00 65.52 C ATOM 0 H LEU A 83 -3.138 7.726 8.773 1.00 4.04 H new ATOM 0 HA LEU A 83 -2.451 7.729 11.518 1.00 41.23 H new ATOM 0 HB2 LEU A 83 -0.974 6.879 9.003 1.00 44.53 H new ATOM 0 HB3 LEU A 83 -0.286 6.676 10.602 1.00 44.53 H new ATOM 0 HG LEU A 83 -2.897 5.420 9.672 1.00 43.05 H new ATOM 0 HD11 LEU A 83 -1.635 3.281 9.608 1.00 14.41 H new ATOM 0 HD12 LEU A 83 -0.995 4.465 8.444 1.00 14.41 H new ATOM 0 HD13 LEU A 83 -0.134 4.166 9.972 1.00 14.41 H new ATOM 0 HD21 LEU A 83 -2.707 4.032 11.721 1.00 65.52 H new ATOM 0 HD22 LEU A 83 -1.265 4.957 12.204 1.00 65.52 H new ATOM 0 HD23 LEU A 83 -2.848 5.765 12.102 1.00 65.52 H new ATOM 1346 N LYS A 84 -0.814 9.890 9.629 1.00 0.15 N ATOM 1347 CA LYS A 84 0.020 11.115 9.663 1.00 14.41 C ATOM 1348 C LYS A 84 -0.684 12.220 10.479 1.00 52.15 C ATOM 1349 O LYS A 84 -0.034 12.993 11.196 1.00 44.13 O ATOM 1350 CB LYS A 84 0.357 11.593 8.215 1.00 12.05 C ATOM 1351 CG LYS A 84 1.065 10.519 7.324 1.00 32.41 C ATOM 1352 CD LYS A 84 0.210 9.987 6.146 1.00 11.25 C ATOM 1353 CE LYS A 84 0.153 10.906 4.918 1.00 62.25 C ATOM 1354 NZ LYS A 84 -0.395 12.255 5.207 1.00 30.24 N ATOM 0 H LYS A 84 -1.174 9.661 8.703 1.00 0.15 H new ATOM 0 HA LYS A 84 0.963 10.885 10.158 1.00 14.41 H new ATOM 0 HB2 LYS A 84 -0.566 11.902 7.724 1.00 12.05 H new ATOM 0 HB3 LYS A 84 0.996 12.474 8.277 1.00 12.05 H new ATOM 0 HG2 LYS A 84 1.984 10.948 6.923 1.00 32.41 H new ATOM 0 HG3 LYS A 84 1.354 9.678 7.954 1.00 32.41 H new ATOM 0 HD2 LYS A 84 0.605 9.019 5.838 1.00 11.25 H new ATOM 0 HD3 LYS A 84 -0.806 9.818 6.502 1.00 11.25 H new ATOM 0 HE2 LYS A 84 1.157 11.012 4.508 1.00 62.25 H new ATOM 0 HE3 LYS A 84 -0.457 10.433 4.149 1.00 62.25 H new ATOM 0 HZ1 LYS A 84 -0.547 12.767 4.314 1.00 30.24 H new ATOM 0 HZ2 LYS A 84 -1.300 12.161 5.711 1.00 30.24 H new ATOM 0 HZ3 LYS A 84 0.277 12.783 5.799 1.00 30.24 H new ATOM 1368 N ALA A 85 -2.022 12.245 10.393 1.00 2.20 N ATOM 1369 CA ALA A 85 -2.868 13.168 11.167 1.00 15.44 C ATOM 1370 C ALA A 85 -2.923 12.759 12.656 1.00 3.20 C ATOM 1371 O ALA A 85 -2.948 13.618 13.545 1.00 22.20 O ATOM 1372 CB ALA A 85 -4.275 13.209 10.564 1.00 1.24 C ATOM 0 H ALA A 85 -2.551 11.623 9.782 1.00 2.20 H new ATOM 0 HA ALA A 85 -2.430 14.165 11.116 1.00 15.44 H new ATOM 0 HB1 ALA A 85 -4.898 13.893 11.140 1.00 1.24 H new ATOM 0 HB2 ALA A 85 -4.218 13.552 9.531 1.00 1.24 H new ATOM 0 HB3 ALA A 85 -4.712 12.211 10.591 1.00 1.24 H new ATOM 1378 N GLU A 86 -2.922 11.436 12.909 1.00 22.23 N ATOM 1379 CA GLU A 86 -3.034 10.876 14.267 1.00 0.04 C ATOM 1380 C GLU A 86 -1.711 11.010 15.017 1.00 64.14 C ATOM 1381 O GLU A 86 -1.695 11.188 16.234 1.00 42.42 O ATOM 1382 CB GLU A 86 -3.456 9.386 14.239 1.00 25.32 C ATOM 1383 CG GLU A 86 -4.789 9.079 13.528 1.00 12.45 C ATOM 1384 CD GLU A 86 -5.951 9.997 13.934 1.00 41.32 C ATOM 1385 OE1 GLU A 86 -6.394 9.924 15.102 1.00 30.22 O ATOM 1386 OE2 GLU A 86 -6.444 10.773 13.077 1.00 51.11 O ATOM 0 H GLU A 86 -2.844 10.728 12.179 1.00 22.23 H new ATOM 0 HA GLU A 86 -3.806 11.445 14.784 1.00 0.04 H new ATOM 0 HB2 GLU A 86 -2.666 8.813 13.753 1.00 25.32 H new ATOM 0 HB3 GLU A 86 -3.523 9.028 15.266 1.00 25.32 H new ATOM 0 HG2 GLU A 86 -4.639 9.158 12.451 1.00 12.45 H new ATOM 0 HG3 GLU A 86 -5.068 8.046 13.736 1.00 12.45 H new