USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1131 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 69 THR OG1 : rot 25:sc= 2.03 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -172:sc= 0.987 (180deg=-0.0114) USER MOD Single : A 1 GLY N :NH3+ -103:sc= -0.11 (180deg=-0.753) USER MOD Single : A 4 MET CE :methyl -153:sc= -0.243 (180deg=-1.42!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 85:sc= 0.121 USER MOD Single : A 17 TYR OH : rot 30:sc= -0.0304 USER MOD Single : A 18 ASN : amide:sc= -0.0004 X(o=-0.0004,f=-0.00032) USER MOD Single : A 25 SER OG : rot -89:sc= 0.0782 USER MOD Single : A 31 THR OG1 : rot -55:sc= 0.938 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 43:sc= 1.92 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 38:sc= 0.825 USER MOD Single : A 44 GLN : amide:sc=-0.00698 K(o=-0.007,f=-2.5!) USER MOD Single : A 48 TYR OH : rot -21:sc= 1.23 USER MOD Single : A 49 GLN : amide:sc= -0.0026 K(o=-0.0026,f=-1) USER MOD Single : A 50 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-2) USER MOD Single : A 53 GLN : amide:sc= -0.0018 K(o=-0.0018,f=-0.73) USER MOD Single : A 54 GLN : amide:sc= -0.751 K(o=-0.75,f=-1.4) USER MOD Single : A 55 CYS SG : rot 63:sc= 0.103 USER MOD Single : A 56 THR OG1 : rot -110:sc= -1.57! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 3:sc= 0.19 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.19) USER MOD Single : A 77 SER OG : rot -85:sc= -0.11 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.15) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.8) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= -0.0199 (180deg=-0.19) USER MOD Single : A 97 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.718 K(o=-0.72,f=-3.3!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 113 LYS NZ :NH3+ 154:sc= 1.17 (180deg=-0.12) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.15) USER MOD Single : A 139 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.18) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0121 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.416 -19.946 -11.263 1.00 0.00 N ATOM 2 CA GLY A 1 5.203 -19.157 -10.044 1.00 0.00 C ATOM 3 C GLY A 1 4.355 -19.941 -9.064 1.00 0.00 C ATOM 4 O GLY A 1 3.157 -19.678 -8.985 1.00 0.00 O ATOM 0 H1 GLY A 1 6.376 -20.345 -11.255 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.720 -20.718 -11.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.303 -19.334 -12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.162 -18.907 -9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.712 -18.216 -10.291 1.00 0.00 H new ATOM 7 N ILE A 2 4.948 -20.888 -8.331 1.00 0.00 N ATOM 8 CA ILE A 2 4.233 -21.842 -7.484 1.00 0.00 C ATOM 9 C ILE A 2 3.315 -21.105 -6.509 1.00 0.00 C ATOM 10 O ILE A 2 3.772 -20.250 -5.750 1.00 0.00 O ATOM 11 CB ILE A 2 5.240 -22.762 -6.749 1.00 0.00 C ATOM 12 CG1 ILE A 2 6.064 -23.638 -7.719 1.00 0.00 C ATOM 13 CG2 ILE A 2 4.570 -23.655 -5.690 1.00 0.00 C ATOM 14 CD1 ILE A 2 5.236 -24.562 -8.623 1.00 0.00 C ATOM 0 H ILE A 2 5.960 -21.014 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 2 3.603 -22.475 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 2 5.920 -22.080 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.669 -22.986 -8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.754 -24.248 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.325 -24.277 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.084 -23.029 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.826 -24.292 -6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.904 -25.135 -9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.651 -25.245 -8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.565 -23.963 -9.238 1.00 0.00 H new ATOM 26 N ARG A 3 2.022 -21.432 -6.553 1.00 0.00 N ATOM 27 CA ARG A 3 1.015 -20.905 -5.643 1.00 0.00 C ATOM 28 C ARG A 3 0.879 -21.936 -4.537 1.00 0.00 C ATOM 29 O ARG A 3 0.646 -23.116 -4.815 1.00 0.00 O ATOM 30 CB ARG A 3 -0.330 -20.712 -6.351 1.00 0.00 C ATOM 31 CG ARG A 3 -0.288 -19.650 -7.455 1.00 0.00 C ATOM 32 CD ARG A 3 -1.705 -19.494 -8.012 1.00 0.00 C ATOM 33 NE ARG A 3 -1.753 -18.672 -9.229 1.00 0.00 N ATOM 34 CZ ARG A 3 -1.767 -19.150 -10.477 1.00 0.00 C ATOM 35 NH1 ARG A 3 -1.343 -20.384 -10.735 1.00 0.00 N ATOM 36 NH2 ARG A 3 -2.210 -18.393 -11.470 1.00 0.00 N ATOM 0 H ARG A 3 1.642 -22.085 -7.239 1.00 0.00 H new ATOM 0 HA ARG A 3 1.309 -19.928 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.645 -21.662 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.083 -20.431 -5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.072 -18.701 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.402 -19.948 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.115 -20.480 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.342 -19.044 -7.250 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.778 -17.659 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.003 -20.975 -9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.358 -20.739 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.540 -17.446 -11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.221 -18.757 -12.423 1.00 0.00 H new ATOM 50 N MET A 4 1.081 -21.520 -3.294 1.00 0.00 N ATOM 51 CA MET A 4 1.070 -22.397 -2.138 1.00 0.00 C ATOM 52 C MET A 4 0.725 -21.544 -0.917 1.00 0.00 C ATOM 53 O MET A 4 0.637 -20.316 -1.014 1.00 0.00 O ATOM 54 CB MET A 4 2.474 -23.023 -2.049 1.00 0.00 C ATOM 55 CG MET A 4 2.629 -24.194 -1.079 1.00 0.00 C ATOM 56 SD MET A 4 1.623 -25.645 -1.492 1.00 0.00 S ATOM 57 CE MET A 4 0.582 -25.744 -0.017 1.00 0.00 C ATOM 0 H MET A 4 1.260 -20.544 -3.060 1.00 0.00 H new ATOM 0 HA MET A 4 0.334 -23.199 -2.201 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.762 -23.362 -3.044 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.179 -22.243 -1.761 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.678 -24.490 -1.050 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.365 -23.857 -0.076 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.267 -26.776 0.137 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.147 -25.404 0.851 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.296 -25.112 -0.149 1.00 0.00 H new ATOM 67 N ALA A 5 0.498 -22.172 0.238 1.00 0.00 N ATOM 68 CA ALA A 5 0.255 -21.478 1.500 1.00 0.00 C ATOM 69 C ALA A 5 1.613 -21.073 2.086 1.00 0.00 C ATOM 70 O ALA A 5 2.061 -21.595 3.111 1.00 0.00 O ATOM 71 CB ALA A 5 -0.580 -22.355 2.434 1.00 0.00 C ATOM 0 H ALA A 5 0.478 -23.188 0.322 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.330 -20.571 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.754 -21.826 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.536 -22.581 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.046 -23.284 2.635 1.00 0.00 H new ATOM 77 N THR A 6 2.305 -20.212 1.348 1.00 0.00 N ATOM 78 CA THR A 6 3.572 -19.590 1.684 1.00 0.00 C ATOM 79 C THR A 6 3.272 -18.577 2.805 1.00 0.00 C ATOM 80 O THR A 6 2.166 -18.021 2.856 1.00 0.00 O ATOM 81 CB THR A 6 4.096 -18.944 0.381 1.00 0.00 C ATOM 82 OG1 THR A 6 3.946 -19.854 -0.698 1.00 0.00 O ATOM 83 CG2 THR A 6 5.562 -18.525 0.405 1.00 0.00 C ATOM 0 H THR A 6 1.967 -19.912 0.434 1.00 0.00 H new ATOM 0 HA THR A 6 4.340 -20.272 2.049 1.00 0.00 H new ATOM 0 HB THR A 6 3.500 -18.039 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.277 -19.441 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.830 -18.084 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.718 -17.793 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.187 -19.399 0.590 1.00 0.00 H new ATOM 91 N LYS A 7 4.225 -18.329 3.706 1.00 0.00 N ATOM 92 CA LYS A 7 4.050 -17.450 4.867 1.00 0.00 C ATOM 93 C LYS A 7 5.223 -16.493 4.956 1.00 0.00 C ATOM 94 O LYS A 7 6.135 -16.546 4.138 1.00 0.00 O ATOM 95 CB LYS A 7 3.913 -18.285 6.155 1.00 0.00 C ATOM 96 CG LYS A 7 2.490 -18.834 6.379 1.00 0.00 C ATOM 97 CD LYS A 7 2.117 -18.836 7.871 1.00 0.00 C ATOM 98 CE LYS A 7 3.078 -19.697 8.698 1.00 0.00 C ATOM 99 NZ LYS A 7 2.904 -19.482 10.149 1.00 0.00 N ATOM 0 H LYS A 7 5.157 -18.740 3.649 1.00 0.00 H new ATOM 0 HA LYS A 7 3.135 -16.869 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.614 -19.119 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.196 -17.671 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.773 -18.228 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.423 -19.848 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.128 -17.814 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.100 -19.210 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.914 -20.749 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.105 -19.465 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.573 -20.083 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.085 -18.483 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.931 -19.728 10.422 1.00 0.00 H new ATOM 113 N ILE A 8 5.223 -15.622 5.956 1.00 0.00 N ATOM 114 CA ILE A 8 6.309 -14.692 6.229 1.00 0.00 C ATOM 115 C ILE A 8 6.852 -14.918 7.623 1.00 0.00 C ATOM 116 O ILE A 8 6.109 -15.354 8.510 1.00 0.00 O ATOM 117 CB ILE A 8 5.838 -13.233 6.099 1.00 0.00 C ATOM 118 CG1 ILE A 8 4.907 -12.702 7.212 1.00 0.00 C ATOM 119 CG2 ILE A 8 5.243 -12.971 4.721 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.554 -13.400 7.428 1.00 0.00 C ATOM 0 H ILE A 8 4.449 -15.541 6.615 1.00 0.00 H new ATOM 0 HA ILE A 8 7.094 -14.873 5.494 1.00 0.00 H new ATOM 0 HB ILE A 8 6.753 -12.656 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.456 -12.744 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.709 -11.650 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.918 -11.933 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.996 -13.164 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.388 -13.629 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.019 -12.912 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.962 -13.336 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.721 -14.447 7.680 1.00 0.00 H new ATOM 132 N ASP A 9 8.118 -14.572 7.833 1.00 0.00 N ATOM 133 CA ASP A 9 8.703 -14.648 9.158 1.00 0.00 C ATOM 134 C ASP A 9 8.460 -13.268 9.737 1.00 0.00 C ATOM 135 O ASP A 9 9.303 -12.375 9.649 1.00 0.00 O ATOM 136 CB ASP A 9 10.180 -15.042 9.185 1.00 0.00 C ATOM 137 CG ASP A 9 10.622 -15.277 10.636 1.00 0.00 C ATOM 138 OD1 ASP A 9 10.019 -14.723 11.586 1.00 0.00 O ATOM 139 OD2 ASP A 9 11.521 -16.124 10.831 1.00 0.00 O ATOM 0 H ASP A 9 8.751 -14.239 7.106 1.00 0.00 H new ATOM 0 HA ASP A 9 8.246 -15.448 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.337 -15.945 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.785 -14.256 8.732 1.00 0.00 H new ATOM 144 N LYS A 10 7.240 -13.052 10.229 1.00 0.00 N ATOM 145 CA LYS A 10 6.853 -11.742 10.732 1.00 0.00 C ATOM 146 C LYS A 10 7.689 -11.324 11.927 1.00 0.00 C ATOM 147 O LYS A 10 7.877 -10.130 12.090 1.00 0.00 O ATOM 148 CB LYS A 10 5.345 -11.637 10.972 1.00 0.00 C ATOM 149 CG LYS A 10 4.885 -12.500 12.145 1.00 0.00 C ATOM 150 CD LYS A 10 3.360 -12.686 12.147 1.00 0.00 C ATOM 151 CE LYS A 10 2.961 -13.680 11.041 1.00 0.00 C ATOM 152 NZ LYS A 10 1.507 -13.703 10.785 1.00 0.00 N ATOM 0 H LYS A 10 6.511 -13.763 10.288 1.00 0.00 H new ATOM 0 HA LYS A 10 7.073 -11.016 9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.081 -10.597 11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.813 -11.940 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.371 -13.474 12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.197 -12.038 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.029 -13.055 13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.866 -11.728 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.483 -13.419 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.291 -14.680 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.298 -14.389 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.006 -13.979 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.192 -12.757 10.489 1.00 0.00 H new ATOM 166 N GLU A 11 8.221 -12.253 12.714 1.00 0.00 N ATOM 167 CA GLU A 11 9.047 -11.907 13.854 1.00 0.00 C ATOM 168 C GLU A 11 10.401 -11.398 13.359 1.00 0.00 C ATOM 169 O GLU A 11 10.797 -10.281 13.702 1.00 0.00 O ATOM 170 CB GLU A 11 9.162 -13.115 14.797 1.00 0.00 C ATOM 171 CG GLU A 11 7.808 -13.490 15.430 1.00 0.00 C ATOM 172 CD GLU A 11 7.234 -12.345 16.272 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.758 -12.094 17.384 1.00 0.00 O ATOM 174 OE2 GLU A 11 6.303 -11.636 15.830 1.00 0.00 O ATOM 0 H GLU A 11 8.091 -13.256 12.578 1.00 0.00 H new ATOM 0 HA GLU A 11 8.592 -11.102 14.432 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.552 -13.970 14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.880 -12.891 15.586 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.100 -13.753 14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.932 -14.374 16.056 1.00 0.00 H new ATOM 181 N ALA A 12 11.100 -12.168 12.520 1.00 0.00 N ATOM 182 CA ALA A 12 12.402 -11.760 12.003 1.00 0.00 C ATOM 183 C ALA A 12 12.283 -10.500 11.149 1.00 0.00 C ATOM 184 O ALA A 12 13.083 -9.576 11.287 1.00 0.00 O ATOM 185 CB ALA A 12 13.027 -12.908 11.200 1.00 0.00 C ATOM 0 H ALA A 12 10.782 -13.078 12.186 1.00 0.00 H new ATOM 0 HA ALA A 12 13.053 -11.526 12.845 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.999 -12.597 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.153 -13.777 11.846 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.374 -13.167 10.366 1.00 0.00 H new ATOM 191 N CYS A 13 11.277 -10.429 10.276 1.00 0.00 N ATOM 192 CA CYS A 13 11.105 -9.258 9.435 1.00 0.00 C ATOM 193 C CYS A 13 10.651 -8.045 10.253 1.00 0.00 C ATOM 194 O CYS A 13 11.017 -6.924 9.891 1.00 0.00 O ATOM 195 CB CYS A 13 10.131 -9.554 8.292 1.00 0.00 C ATOM 196 SG CYS A 13 10.737 -10.905 7.241 1.00 0.00 S ATOM 0 H CYS A 13 10.581 -11.161 10.138 1.00 0.00 H new ATOM 0 HA CYS A 13 12.073 -9.011 8.999 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.156 -9.818 8.702 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.991 -8.657 7.689 1.00 0.00 H new ATOM 0 HG CYS A 13 10.396 -12.046 7.762 1.00 0.00 H new ATOM 202 N ARG A 14 9.897 -8.230 11.351 1.00 0.00 N ATOM 203 CA ARG A 14 9.513 -7.112 12.209 1.00 0.00 C ATOM 204 C ARG A 14 10.754 -6.452 12.782 1.00 0.00 C ATOM 205 O ARG A 14 10.711 -5.237 12.942 1.00 0.00 O ATOM 206 CB ARG A 14 8.550 -7.505 13.342 1.00 0.00 C ATOM 207 CG ARG A 14 8.116 -6.293 14.181 1.00 0.00 C ATOM 208 CD ARG A 14 7.163 -6.721 15.291 1.00 0.00 C ATOM 209 NE ARG A 14 6.538 -5.554 15.929 1.00 0.00 N ATOM 210 CZ ARG A 14 5.456 -5.604 16.707 1.00 0.00 C ATOM 211 NH1 ARG A 14 4.970 -6.770 17.122 1.00 0.00 N ATOM 212 NH2 ARG A 14 4.873 -4.465 17.050 1.00 0.00 N ATOM 0 H ARG A 14 9.547 -9.138 11.657 1.00 0.00 H new ATOM 0 HA ARG A 14 8.969 -6.410 11.578 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.668 -7.985 12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.032 -8.238 13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.993 -5.811 14.613 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.630 -5.556 13.541 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.391 -7.372 14.881 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.706 -7.301 16.038 1.00 0.00 H new ATOM 0 HE ARG A 14 6.962 -4.641 15.765 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.425 -7.640 16.846 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.142 -6.795 17.717 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.253 -3.578 16.720 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.044 -4.475 17.644 1.00 0.00 H new ATOM 226 N ALA A 15 11.824 -7.198 13.084 1.00 0.00 N ATOM 227 CA ALA A 15 13.011 -6.610 13.681 1.00 0.00 C ATOM 228 C ALA A 15 13.512 -5.445 12.822 1.00 0.00 C ATOM 229 O ALA A 15 13.556 -4.310 13.295 1.00 0.00 O ATOM 230 CB ALA A 15 14.083 -7.679 13.895 1.00 0.00 C ATOM 0 H ALA A 15 11.884 -8.203 12.923 1.00 0.00 H new ATOM 0 HA ALA A 15 12.762 -6.205 14.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.966 -7.224 14.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.698 -8.453 14.559 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.350 -8.123 12.936 1.00 0.00 H new ATOM 236 N ALA A 16 13.816 -5.700 11.547 1.00 0.00 N ATOM 237 CA ALA A 16 14.317 -4.663 10.652 1.00 0.00 C ATOM 238 C ALA A 16 13.256 -3.599 10.370 1.00 0.00 C ATOM 239 O ALA A 16 13.555 -2.404 10.350 1.00 0.00 O ATOM 240 CB ALA A 16 14.758 -5.304 9.342 1.00 0.00 C ATOM 0 H ALA A 16 13.722 -6.619 11.114 1.00 0.00 H new ATOM 0 HA ALA A 16 15.160 -4.172 11.137 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.134 -4.534 8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.547 -6.030 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.909 -5.808 8.880 1.00 0.00 H new ATOM 246 N TYR A 17 12.010 -4.031 10.151 1.00 0.00 N ATOM 247 CA TYR A 17 10.877 -3.138 9.955 1.00 0.00 C ATOM 248 C TYR A 17 10.775 -2.120 11.092 1.00 0.00 C ATOM 249 O TYR A 17 10.496 -0.955 10.834 1.00 0.00 O ATOM 250 CB TYR A 17 9.600 -3.978 9.805 1.00 0.00 C ATOM 251 CG TYR A 17 8.288 -3.274 10.095 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.826 -3.238 11.426 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.521 -2.692 9.069 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.604 -2.626 11.743 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.294 -2.075 9.377 1.00 0.00 C ATOM 256 CZ TYR A 17 5.834 -2.044 10.714 1.00 0.00 C ATOM 257 OH TYR A 17 4.618 -1.506 11.000 1.00 0.00 O ATOM 0 H TYR A 17 11.763 -5.020 10.105 1.00 0.00 H new ATOM 0 HA TYR A 17 11.017 -2.559 9.042 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.563 -4.363 8.786 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.679 -4.839 10.468 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.419 -3.686 12.210 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.873 -2.719 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.256 -2.601 12.765 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.704 -1.625 8.592 1.00 0.00 H new ATOM 0 HH TYR A 17 4.618 -1.168 11.920 1.00 0.00 H new ATOM 267 N ASN A 18 11.016 -2.535 12.337 1.00 0.00 N ATOM 268 CA ASN A 18 10.885 -1.688 13.512 1.00 0.00 C ATOM 269 C ASN A 18 11.879 -0.529 13.452 1.00 0.00 C ATOM 270 O ASN A 18 11.496 0.606 13.722 1.00 0.00 O ATOM 271 CB ASN A 18 11.119 -2.516 14.780 1.00 0.00 C ATOM 272 CG ASN A 18 10.723 -1.752 16.025 1.00 0.00 C ATOM 273 OD1 ASN A 18 9.567 -1.366 16.210 1.00 0.00 O ATOM 274 ND2 ASN A 18 11.668 -1.609 16.928 1.00 0.00 N ATOM 0 H ASN A 18 11.312 -3.486 12.555 1.00 0.00 H new ATOM 0 HA ASN A 18 9.876 -1.277 13.534 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.545 -3.441 14.722 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.170 -2.796 14.843 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.457 -1.165 17.821 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.612 -1.943 16.735 1.00 0.00 H new ATOM 281 N LEU A 19 13.140 -0.807 13.093 1.00 0.00 N ATOM 282 CA LEU A 19 14.173 0.203 12.911 1.00 0.00 C ATOM 283 C LEU A 19 13.777 1.182 11.819 1.00 0.00 C ATOM 284 O LEU A 19 13.828 2.390 12.027 1.00 0.00 O ATOM 285 CB LEU A 19 15.530 -0.444 12.574 1.00 0.00 C ATOM 286 CG LEU A 19 16.336 -0.976 13.772 1.00 0.00 C ATOM 287 CD1 LEU A 19 15.558 -1.836 14.773 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.523 -1.790 13.247 1.00 0.00 C ATOM 0 H LEU A 19 13.469 -1.757 12.920 1.00 0.00 H new ATOM 0 HA LEU A 19 14.276 0.746 13.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.356 -1.269 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.140 0.290 12.047 1.00 0.00 H new ATOM 0 HG LEU A 19 16.641 -0.089 14.327 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.225 -2.155 15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.739 -1.253 15.194 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.156 -2.712 14.265 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.102 -2.172 14.088 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.156 -2.625 12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.157 -1.153 12.630 1.00 0.00 H new ATOM 300 N VAL A 20 13.385 0.676 10.654 1.00 0.00 N ATOM 301 CA VAL A 20 13.017 1.525 9.526 1.00 0.00 C ATOM 302 C VAL A 20 11.745 2.334 9.830 1.00 0.00 C ATOM 303 O VAL A 20 11.608 3.458 9.339 1.00 0.00 O ATOM 304 CB VAL A 20 12.951 0.629 8.276 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.334 1.266 7.037 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.382 0.243 7.896 1.00 0.00 C ATOM 0 H VAL A 20 13.314 -0.324 10.466 1.00 0.00 H new ATOM 0 HA VAL A 20 13.763 2.296 9.334 1.00 0.00 H new ATOM 0 HB VAL A 20 12.310 -0.207 8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.338 0.547 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.308 1.563 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.914 2.144 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.364 -0.393 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.958 1.144 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.845 -0.297 8.722 1.00 0.00 H new ATOM 316 N ARG A 21 10.827 1.807 10.651 1.00 0.00 N ATOM 317 CA ARG A 21 9.629 2.526 11.076 1.00 0.00 C ATOM 318 C ARG A 21 10.047 3.698 11.947 1.00 0.00 C ATOM 319 O ARG A 21 9.532 4.800 11.726 1.00 0.00 O ATOM 320 CB ARG A 21 8.644 1.604 11.827 1.00 0.00 C ATOM 321 CG ARG A 21 7.251 2.232 12.081 1.00 0.00 C ATOM 322 CD ARG A 21 7.004 2.871 13.468 1.00 0.00 C ATOM 323 NE ARG A 21 7.323 4.320 13.532 1.00 0.00 N ATOM 324 CZ ARG A 21 7.930 4.987 14.534 1.00 0.00 C ATOM 325 NH1 ARG A 21 8.255 4.349 15.653 1.00 0.00 N ATOM 326 NH2 ARG A 21 8.266 6.275 14.452 1.00 0.00 N ATOM 0 H ARG A 21 10.899 0.866 11.038 1.00 0.00 H new ATOM 0 HA ARG A 21 9.104 2.891 10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.516 0.685 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.084 1.325 12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.082 2.996 11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.499 1.458 11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.959 2.727 13.742 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.603 2.345 14.211 1.00 0.00 H new ATOM 0 HE ARG A 21 7.051 4.877 12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.045 3.356 15.753 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.714 4.852 16.412 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.065 6.801 13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.724 6.734 15.239 1.00 0.00 H new ATOM 340 N ASP A 22 10.913 3.462 12.942 1.00 0.00 N ATOM 341 CA ASP A 22 11.266 4.523 13.859 1.00 0.00 C ATOM 342 C ASP A 22 11.949 5.681 13.162 1.00 0.00 C ATOM 343 O ASP A 22 12.750 5.494 12.258 1.00 0.00 O ATOM 344 CB ASP A 22 11.999 4.068 15.113 1.00 0.00 C ATOM 345 CG ASP A 22 11.783 5.198 16.118 1.00 0.00 C ATOM 346 OD1 ASP A 22 10.623 5.308 16.594 1.00 0.00 O ATOM 347 OD2 ASP A 22 12.682 6.053 16.240 1.00 0.00 O ATOM 0 H ASP A 22 11.365 2.565 13.120 1.00 0.00 H new ATOM 0 HA ASP A 22 10.312 4.894 14.234 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.599 3.125 15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.059 3.910 14.917 1.00 0.00 H new ATOM 352 N ASP A 23 11.606 6.890 13.585 1.00 0.00 N ATOM 353 CA ASP A 23 12.071 8.122 12.983 1.00 0.00 C ATOM 354 C ASP A 23 13.485 8.508 13.394 1.00 0.00 C ATOM 355 O ASP A 23 14.085 9.316 12.683 1.00 0.00 O ATOM 356 CB ASP A 23 11.074 9.235 13.323 1.00 0.00 C ATOM 357 CG ASP A 23 9.875 9.168 12.381 1.00 0.00 C ATOM 358 OD1 ASP A 23 8.891 8.434 12.669 1.00 0.00 O ATOM 359 OD2 ASP A 23 9.914 9.841 11.329 1.00 0.00 O ATOM 0 H ASP A 23 10.981 7.040 14.377 1.00 0.00 H new ATOM 0 HA ASP A 23 12.122 7.969 11.905 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.741 9.133 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.559 10.207 13.239 1.00 0.00 H new ATOM 364 N GLY A 24 14.002 7.969 14.504 1.00 0.00 N ATOM 365 CA GLY A 24 15.318 8.297 15.042 1.00 0.00 C ATOM 366 C GLY A 24 16.369 7.206 14.830 1.00 0.00 C ATOM 367 O GLY A 24 17.507 7.386 15.262 1.00 0.00 O ATOM 0 H GLY A 24 13.502 7.277 15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.669 9.219 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.224 8.493 16.110 1.00 0.00 H new ATOM 371 N SER A 25 16.018 6.066 14.226 1.00 0.00 N ATOM 372 CA SER A 25 16.996 5.033 13.924 1.00 0.00 C ATOM 373 C SER A 25 17.894 5.511 12.775 1.00 0.00 C ATOM 374 O SER A 25 17.462 6.230 11.873 1.00 0.00 O ATOM 375 CB SER A 25 16.270 3.707 13.654 1.00 0.00 C ATOM 376 OG SER A 25 17.037 2.778 12.907 1.00 0.00 O ATOM 0 H SER A 25 15.065 5.842 13.940 1.00 0.00 H new ATOM 0 HA SER A 25 17.657 4.846 14.770 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.994 3.254 14.606 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.343 3.913 13.118 1.00 0.00 H new ATOM 0 HG SER A 25 16.877 2.916 11.950 1.00 0.00 H new ATOM 382 N ALA A 26 19.158 5.072 12.804 1.00 0.00 N ATOM 383 CA ALA A 26 20.127 5.369 11.759 1.00 0.00 C ATOM 384 C ALA A 26 19.875 4.522 10.509 1.00 0.00 C ATOM 385 O ALA A 26 20.151 4.978 9.405 1.00 0.00 O ATOM 386 CB ALA A 26 21.544 5.127 12.289 1.00 0.00 C ATOM 0 H ALA A 26 19.533 4.498 13.560 1.00 0.00 H new ATOM 0 HA ALA A 26 20.019 6.416 11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.268 5.350 11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.727 5.774 13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.646 4.085 12.592 1.00 0.00 H new ATOM 392 N VAL A 27 19.392 3.284 10.657 1.00 0.00 N ATOM 393 CA VAL A 27 19.048 2.455 9.505 1.00 0.00 C ATOM 394 C VAL A 27 17.743 3.016 8.961 1.00 0.00 C ATOM 395 O VAL A 27 16.756 3.027 9.699 1.00 0.00 O ATOM 396 CB VAL A 27 18.896 0.988 9.954 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.149 0.131 8.923 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.281 0.386 10.230 1.00 0.00 C ATOM 0 H VAL A 27 19.232 2.838 11.561 1.00 0.00 H new ATOM 0 HA VAL A 27 19.818 2.471 8.734 1.00 0.00 H new ATOM 0 HB VAL A 27 18.298 0.987 10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.070 -0.893 9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.150 0.538 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.696 0.138 7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.170 -0.651 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.882 0.425 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.775 0.955 11.017 1.00 0.00 H new ATOM 408 N ILE A 28 17.708 3.401 7.684 1.00 0.00 N ATOM 409 CA ILE A 28 16.538 3.984 7.032 1.00 0.00 C ATOM 410 C ILE A 28 16.009 3.059 5.931 1.00 0.00 C ATOM 411 O ILE A 28 14.832 3.159 5.570 1.00 0.00 O ATOM 412 CB ILE A 28 16.830 5.414 6.512 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.573 5.462 5.154 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.576 6.268 7.552 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.586 5.582 3.983 1.00 0.00 C ATOM 0 H ILE A 28 18.512 3.313 7.062 1.00 0.00 H new ATOM 0 HA ILE A 28 15.748 4.082 7.777 1.00 0.00 H new ATOM 0 HB ILE A 28 15.843 5.843 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.260 6.309 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.175 4.561 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.759 7.262 7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.971 6.353 8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.527 5.795 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.138 5.613 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.916 4.722 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.002 6.496 4.091 1.00 0.00 H new ATOM 427 N TRP A 29 16.858 2.183 5.378 1.00 0.00 N ATOM 428 CA TRP A 29 16.476 1.233 4.351 1.00 0.00 C ATOM 429 C TRP A 29 16.835 -0.170 4.810 1.00 0.00 C ATOM 430 O TRP A 29 17.858 -0.394 5.457 1.00 0.00 O ATOM 431 CB TRP A 29 17.109 1.579 2.991 1.00 0.00 C ATOM 432 CG TRP A 29 18.596 1.497 2.853 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.444 2.551 2.826 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.423 0.305 2.666 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.731 2.087 2.645 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.783 0.715 2.588 1.00 0.00 C ATOM 437 CE3 TRP A 29 19.170 -1.082 2.570 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.841 -0.201 2.505 1.00 0.00 C ATOM 439 CZ3 TRP A 29 20.222 -2.014 2.485 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.556 -1.573 2.478 1.00 0.00 C ATOM 0 H TRP A 29 17.841 2.122 5.642 1.00 0.00 H new ATOM 0 HA TRP A 29 15.398 1.285 4.201 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.670 0.918 2.244 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.808 2.595 2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.160 3.588 2.929 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.548 2.692 2.563 1.00 0.00 H new ATOM 0 HE3 TRP A 29 18.149 -1.434 2.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.863 0.146 2.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 20.003 -3.070 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.362 -2.291 2.452 1.00 0.00 H new ATOM 451 N VAL A 30 15.986 -1.112 4.425 1.00 0.00 N ATOM 452 CA VAL A 30 16.103 -2.547 4.651 1.00 0.00 C ATOM 453 C VAL A 30 15.747 -3.248 3.349 1.00 0.00 C ATOM 454 O VAL A 30 15.110 -2.676 2.463 1.00 0.00 O ATOM 455 CB VAL A 30 15.155 -2.933 5.811 1.00 0.00 C ATOM 456 CG1 VAL A 30 14.718 -4.403 5.917 1.00 0.00 C ATOM 457 CG2 VAL A 30 15.808 -2.570 7.151 1.00 0.00 C ATOM 0 H VAL A 30 15.137 -0.878 3.910 1.00 0.00 H new ATOM 0 HA VAL A 30 17.112 -2.845 4.935 1.00 0.00 H new ATOM 0 HB VAL A 30 14.251 -2.369 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.057 -4.525 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.190 -4.692 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.597 -5.036 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.139 -2.842 7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.748 -3.111 7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 30 16.001 -1.498 7.183 1.00 0.00 H new ATOM 467 N THR A 31 16.146 -4.505 3.244 1.00 0.00 N ATOM 468 CA THR A 31 15.837 -5.389 2.140 1.00 0.00 C ATOM 469 C THR A 31 15.200 -6.641 2.742 1.00 0.00 C ATOM 470 O THR A 31 15.388 -6.935 3.927 1.00 0.00 O ATOM 471 CB THR A 31 17.062 -5.655 1.249 1.00 0.00 C ATOM 472 OG1 THR A 31 18.123 -6.209 1.986 1.00 0.00 O ATOM 473 CG2 THR A 31 17.593 -4.387 0.581 1.00 0.00 C ATOM 0 H THR A 31 16.719 -4.953 3.959 1.00 0.00 H new ATOM 0 HA THR A 31 15.128 -4.933 1.450 1.00 0.00 H new ATOM 0 HB THR A 31 16.712 -6.351 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.336 -5.624 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.457 -4.635 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.814 -3.952 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.887 -3.669 1.346 1.00 0.00 H new ATOM 481 N PHE A 32 14.438 -7.379 1.944 1.00 0.00 N ATOM 482 CA PHE A 32 13.828 -8.634 2.334 1.00 0.00 C ATOM 483 C PHE A 32 14.233 -9.632 1.266 1.00 0.00 C ATOM 484 O PHE A 32 14.017 -9.381 0.076 1.00 0.00 O ATOM 485 CB PHE A 32 12.306 -8.472 2.461 1.00 0.00 C ATOM 486 CG PHE A 32 11.864 -7.671 3.676 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.205 -8.120 4.965 1.00 0.00 C ATOM 488 CD2 PHE A 32 11.115 -6.486 3.535 1.00 0.00 C ATOM 489 CE1 PHE A 32 11.852 -7.371 6.100 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.721 -5.762 4.677 1.00 0.00 C ATOM 491 CZ PHE A 32 11.101 -6.194 5.959 1.00 0.00 C ATOM 0 H PHE A 32 14.225 -7.110 0.984 1.00 0.00 H new ATOM 0 HA PHE A 32 14.161 -8.979 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.927 -7.986 1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.849 -9.461 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.743 -9.049 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.843 -6.133 2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.159 -7.701 7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.123 -4.869 4.567 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.817 -5.623 6.831 1.00 0.00 H new ATOM 501 N LYS A 33 14.865 -10.732 1.680 1.00 0.00 N ATOM 502 CA LYS A 33 15.251 -11.790 0.766 1.00 0.00 C ATOM 503 C LYS A 33 14.118 -12.810 0.809 1.00 0.00 C ATOM 504 O LYS A 33 13.180 -12.697 1.604 1.00 0.00 O ATOM 505 CB LYS A 33 16.577 -12.443 1.222 1.00 0.00 C ATOM 506 CG LYS A 33 17.824 -11.546 1.233 1.00 0.00 C ATOM 507 CD LYS A 33 18.279 -11.140 -0.176 1.00 0.00 C ATOM 508 CE LYS A 33 19.757 -11.445 -0.457 1.00 0.00 C ATOM 509 NZ LYS A 33 20.687 -10.639 0.359 1.00 0.00 N ATOM 0 H LYS A 33 15.119 -10.907 2.652 1.00 0.00 H new ATOM 0 HA LYS A 33 15.412 -11.408 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.433 -12.837 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.777 -13.295 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.615 -10.648 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.638 -12.069 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.664 -11.659 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.105 -10.073 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.944 -12.502 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.963 -11.267 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.667 -10.893 0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.534 -9.629 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.516 -10.827 1.368 1.00 0.00 H new ATOM 523 N TYR A 34 14.223 -13.834 -0.021 1.00 0.00 N ATOM 524 CA TYR A 34 13.285 -14.938 -0.053 1.00 0.00 C ATOM 525 C TYR A 34 14.102 -16.176 0.260 1.00 0.00 C ATOM 526 O TYR A 34 15.210 -16.315 -0.266 1.00 0.00 O ATOM 527 CB TYR A 34 12.634 -15.027 -1.445 1.00 0.00 C ATOM 528 CG TYR A 34 11.621 -13.928 -1.695 1.00 0.00 C ATOM 529 CD1 TYR A 34 12.036 -12.587 -1.815 1.00 0.00 C ATOM 530 CD2 TYR A 34 10.250 -14.234 -1.697 1.00 0.00 C ATOM 531 CE1 TYR A 34 11.090 -11.553 -1.793 1.00 0.00 C ATOM 532 CE2 TYR A 34 9.300 -13.203 -1.744 1.00 0.00 C ATOM 533 CZ TYR A 34 9.715 -11.853 -1.730 1.00 0.00 C ATOM 534 OH TYR A 34 8.800 -10.852 -1.641 1.00 0.00 O ATOM 0 H TYR A 34 14.977 -13.921 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 34 12.474 -14.818 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.411 -14.978 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.145 -15.995 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.085 -12.355 -1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.927 -15.264 -1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.416 -10.524 -1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.248 -13.442 -1.791 1.00 0.00 H new ATOM 0 HH TYR A 34 9.047 -10.128 -2.253 1.00 0.00 H new ATOM 544 N ASP A 35 13.569 -17.062 1.093 1.00 0.00 N ATOM 545 CA ASP A 35 14.196 -18.329 1.432 1.00 0.00 C ATOM 546 C ASP A 35 13.109 -19.388 1.426 1.00 0.00 C ATOM 547 O ASP A 35 12.109 -19.234 2.126 1.00 0.00 O ATOM 548 CB ASP A 35 14.843 -18.276 2.819 1.00 0.00 C ATOM 549 CG ASP A 35 15.387 -19.655 3.189 1.00 0.00 C ATOM 550 OD1 ASP A 35 15.976 -20.327 2.310 1.00 0.00 O ATOM 551 OD2 ASP A 35 15.188 -20.114 4.337 1.00 0.00 O ATOM 0 H ASP A 35 12.673 -16.915 1.559 1.00 0.00 H new ATOM 0 HA ASP A 35 14.980 -18.554 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.649 -17.543 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.111 -17.953 3.560 1.00 0.00 H new ATOM 556 N GLY A 36 13.289 -20.445 0.634 1.00 0.00 N ATOM 557 CA GLY A 36 12.367 -21.567 0.555 1.00 0.00 C ATOM 558 C GLY A 36 10.940 -21.075 0.333 1.00 0.00 C ATOM 559 O GLY A 36 10.643 -20.527 -0.735 1.00 0.00 O ATOM 0 H GLY A 36 14.097 -20.543 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.660 -22.229 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.417 -22.151 1.474 1.00 0.00 H new ATOM 563 N SER A 37 10.084 -21.232 1.343 1.00 0.00 N ATOM 564 CA SER A 37 8.672 -20.882 1.320 1.00 0.00 C ATOM 565 C SER A 37 8.347 -19.681 2.224 1.00 0.00 C ATOM 566 O SER A 37 7.219 -19.580 2.720 1.00 0.00 O ATOM 567 CB SER A 37 7.847 -22.143 1.619 1.00 0.00 C ATOM 568 OG SER A 37 8.302 -22.852 2.760 1.00 0.00 O ATOM 0 H SER A 37 10.374 -21.625 2.238 1.00 0.00 H new ATOM 0 HA SER A 37 8.395 -20.533 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.805 -21.861 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.878 -22.804 0.753 1.00 0.00 H new ATOM 0 HG SER A 37 7.739 -23.641 2.901 1.00 0.00 H new ATOM 574 N THR A 38 9.297 -18.770 2.468 1.00 0.00 N ATOM 575 CA THR A 38 9.015 -17.576 3.245 1.00 0.00 C ATOM 576 C THR A 38 9.848 -16.360 2.808 1.00 0.00 C ATOM 577 O THR A 38 10.723 -16.444 1.941 1.00 0.00 O ATOM 578 CB THR A 38 9.133 -17.952 4.731 1.00 0.00 C ATOM 579 OG1 THR A 38 8.421 -17.028 5.520 1.00 0.00 O ATOM 580 CG2 THR A 38 10.566 -18.052 5.254 1.00 0.00 C ATOM 0 H THR A 38 10.259 -18.844 2.137 1.00 0.00 H new ATOM 0 HA THR A 38 7.998 -17.231 3.061 1.00 0.00 H new ATOM 0 HB THR A 38 8.708 -18.953 4.808 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.598 -16.767 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.550 -18.322 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.106 -18.815 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.066 -17.091 5.132 1.00 0.00 H new ATOM 588 N ILE A 39 9.507 -15.209 3.393 1.00 0.00 N ATOM 589 CA ILE A 39 10.181 -13.924 3.231 1.00 0.00 C ATOM 590 C ILE A 39 11.085 -13.791 4.460 1.00 0.00 C ATOM 591 O ILE A 39 10.605 -14.024 5.576 1.00 0.00 O ATOM 592 CB ILE A 39 9.180 -12.737 3.216 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.844 -12.955 2.476 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.885 -11.488 2.668 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.910 -13.308 0.998 1.00 0.00 C ATOM 0 H ILE A 39 8.710 -15.148 4.026 1.00 0.00 H new ATOM 0 HA ILE A 39 10.721 -13.894 2.285 1.00 0.00 H new ATOM 0 HB ILE A 39 8.880 -12.621 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.302 -13.750 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.250 -12.047 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.186 -10.652 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.735 -11.241 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.235 -11.683 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.900 -13.432 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.413 -12.508 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.465 -14.237 0.870 1.00 0.00 H new ATOM 607 N VAL A 40 12.345 -13.389 4.279 1.00 0.00 N ATOM 608 CA VAL A 40 13.309 -13.237 5.382 1.00 0.00 C ATOM 609 C VAL A 40 13.962 -11.845 5.364 1.00 0.00 C ATOM 610 O VAL A 40 13.958 -11.199 4.313 1.00 0.00 O ATOM 611 CB VAL A 40 14.342 -14.382 5.344 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.671 -15.748 5.240 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.318 -14.269 4.179 1.00 0.00 C ATOM 0 H VAL A 40 12.731 -13.158 3.363 1.00 0.00 H new ATOM 0 HA VAL A 40 12.778 -13.309 6.331 1.00 0.00 H new ATOM 0 HB VAL A 40 14.887 -14.290 6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.433 -16.527 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.022 -15.901 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.077 -15.793 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 16.018 -15.104 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.767 -14.291 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.868 -13.331 4.255 1.00 0.00 H new ATOM 623 N PRO A 41 14.543 -11.345 6.472 1.00 0.00 N ATOM 624 CA PRO A 41 15.249 -10.066 6.461 1.00 0.00 C ATOM 625 C PRO A 41 16.540 -10.175 5.644 1.00 0.00 C ATOM 626 O PRO A 41 17.223 -11.203 5.669 1.00 0.00 O ATOM 627 CB PRO A 41 15.519 -9.723 7.929 1.00 0.00 C ATOM 628 CG PRO A 41 15.537 -11.084 8.620 1.00 0.00 C ATOM 629 CD PRO A 41 14.525 -11.903 7.819 1.00 0.00 C ATOM 0 HA PRO A 41 14.664 -9.277 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.467 -9.200 8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.743 -9.076 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.529 -11.535 8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.250 -11.006 9.669 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.796 -12.959 7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.530 -11.834 8.258 1.00 0.00 H new ATOM 637 N GLY A 42 16.889 -9.104 4.937 1.00 0.00 N ATOM 638 CA GLY A 42 18.100 -8.964 4.148 1.00 0.00 C ATOM 639 C GLY A 42 18.999 -7.894 4.755 1.00 0.00 C ATOM 640 O GLY A 42 18.954 -7.633 5.961 1.00 0.00 O ATOM 0 H GLY A 42 16.302 -8.270 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.630 -9.916 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.846 -8.698 3.122 1.00 0.00 H new ATOM 644 N GLU A 43 19.846 -7.302 3.916 1.00 0.00 N ATOM 645 CA GLU A 43 20.728 -6.203 4.270 1.00 0.00 C ATOM 646 C GLU A 43 19.923 -4.968 4.668 1.00 0.00 C ATOM 647 O GLU A 43 18.766 -4.810 4.265 1.00 0.00 O ATOM 648 CB GLU A 43 21.626 -5.855 3.068 1.00 0.00 C ATOM 649 CG GLU A 43 22.698 -6.915 2.777 1.00 0.00 C ATOM 650 CD GLU A 43 23.538 -7.228 4.016 1.00 0.00 C ATOM 651 OE1 GLU A 43 23.824 -6.300 4.808 1.00 0.00 O ATOM 652 OE2 GLU A 43 23.814 -8.427 4.258 1.00 0.00 O ATOM 0 H GLU A 43 19.937 -7.587 2.941 1.00 0.00 H new ATOM 0 HA GLU A 43 21.340 -6.512 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.002 -5.728 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.114 -4.898 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.220 -7.828 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 43 23.349 -6.564 1.976 1.00 0.00 H new ATOM 659 N GLN A 44 20.570 -4.064 5.397 1.00 0.00 N ATOM 660 CA GLN A 44 20.035 -2.782 5.821 1.00 0.00 C ATOM 661 C GLN A 44 21.157 -1.741 5.800 1.00 0.00 C ATOM 662 O GLN A 44 22.335 -2.120 5.729 1.00 0.00 O ATOM 663 CB GLN A 44 19.385 -2.957 7.202 1.00 0.00 C ATOM 664 CG GLN A 44 20.367 -3.124 8.371 1.00 0.00 C ATOM 665 CD GLN A 44 19.662 -3.706 9.595 1.00 0.00 C ATOM 666 OE1 GLN A 44 19.008 -3.006 10.356 1.00 0.00 O ATOM 667 NE2 GLN A 44 19.755 -5.009 9.788 1.00 0.00 N ATOM 0 H GLN A 44 21.525 -4.216 5.721 1.00 0.00 H new ATOM 0 HA GLN A 44 19.261 -2.421 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.753 -2.092 7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.731 -3.829 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.186 -3.778 8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.806 -2.159 8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 44 20.303 -5.582 9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.278 -5.443 10.579 1.00 0.00 H new ATOM 676 N GLY A 45 20.809 -0.456 5.879 1.00 0.00 N ATOM 677 CA GLY A 45 21.753 0.650 5.800 1.00 0.00 C ATOM 678 C GLY A 45 21.059 2.001 5.959 1.00 0.00 C ATOM 679 O GLY A 45 19.853 2.075 6.223 1.00 0.00 O ATOM 0 H GLY A 45 19.843 -0.153 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.511 0.537 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.271 0.618 4.841 1.00 0.00 H new ATOM 683 N ALA A 46 21.839 3.072 5.809 1.00 0.00 N ATOM 684 CA ALA A 46 21.413 4.456 5.993 1.00 0.00 C ATOM 685 C ALA A 46 21.546 5.285 4.711 1.00 0.00 C ATOM 686 O ALA A 46 20.867 6.299 4.572 1.00 0.00 O ATOM 687 CB ALA A 46 22.268 5.089 7.095 1.00 0.00 C ATOM 0 H ALA A 46 22.821 2.994 5.546 1.00 0.00 H new ATOM 0 HA ALA A 46 20.358 4.449 6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.961 6.124 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.134 4.534 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.318 5.060 6.803 1.00 0.00 H new ATOM 693 N GLU A 47 22.402 4.881 3.770 1.00 0.00 N ATOM 694 CA GLU A 47 22.681 5.620 2.543 1.00 0.00 C ATOM 695 C GLU A 47 22.185 4.753 1.391 1.00 0.00 C ATOM 696 O GLU A 47 22.633 3.605 1.274 1.00 0.00 O ATOM 697 CB GLU A 47 24.196 5.859 2.453 1.00 0.00 C ATOM 698 CG GLU A 47 24.571 7.022 1.535 1.00 0.00 C ATOM 699 CD GLU A 47 24.490 8.320 2.334 1.00 0.00 C ATOM 700 OE1 GLU A 47 23.369 8.810 2.569 1.00 0.00 O ATOM 701 OE2 GLU A 47 25.533 8.807 2.827 1.00 0.00 O ATOM 0 H GLU A 47 22.931 4.012 3.844 1.00 0.00 H new ATOM 0 HA GLU A 47 22.185 6.590 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.586 6.053 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.679 4.951 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 47 25.578 6.883 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 47 23.896 7.062 0.680 1.00 0.00 H new ATOM 708 N TYR A 48 21.402 5.300 0.459 1.00 0.00 N ATOM 709 CA TYR A 48 20.807 4.495 -0.612 1.00 0.00 C ATOM 710 C TYR A 48 21.790 4.287 -1.769 1.00 0.00 C ATOM 711 O TYR A 48 21.555 3.429 -2.606 1.00 0.00 O ATOM 712 CB TYR A 48 19.528 5.204 -1.105 1.00 0.00 C ATOM 713 CG TYR A 48 18.681 4.478 -2.149 1.00 0.00 C ATOM 714 CD1 TYR A 48 18.981 4.605 -3.520 1.00 0.00 C ATOM 715 CD2 TYR A 48 17.526 3.767 -1.767 1.00 0.00 C ATOM 716 CE1 TYR A 48 18.138 4.056 -4.503 1.00 0.00 C ATOM 717 CE2 TYR A 48 16.681 3.203 -2.745 1.00 0.00 C ATOM 718 CZ TYR A 48 16.973 3.357 -4.120 1.00 0.00 C ATOM 719 OH TYR A 48 16.101 2.872 -5.049 1.00 0.00 O ATOM 0 H TYR A 48 21.165 6.292 0.423 1.00 0.00 H new ATOM 0 HA TYR A 48 20.560 3.507 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 48 18.897 5.403 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 48 19.816 6.171 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.874 5.133 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.287 3.653 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.382 4.169 -5.549 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.805 2.650 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 48 16.226 3.349 -5.896 1.00 0.00 H new ATOM 729 N GLN A 49 22.954 4.937 -1.781 1.00 0.00 N ATOM 730 CA GLN A 49 23.990 4.733 -2.795 1.00 0.00 C ATOM 731 C GLN A 49 24.384 3.248 -2.916 1.00 0.00 C ATOM 732 O GLN A 49 24.598 2.743 -4.021 1.00 0.00 O ATOM 733 CB GLN A 49 25.172 5.613 -2.381 1.00 0.00 C ATOM 734 CG GLN A 49 26.378 5.558 -3.326 1.00 0.00 C ATOM 735 CD GLN A 49 27.401 6.645 -2.985 1.00 0.00 C ATOM 736 OE1 GLN A 49 27.227 7.427 -2.050 1.00 0.00 O ATOM 737 NE2 GLN A 49 28.511 6.724 -3.689 1.00 0.00 N ATOM 0 H GLN A 49 23.208 5.630 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 49 23.631 5.012 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 49 24.831 6.646 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.496 5.316 -1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.850 4.578 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.042 5.682 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.669 6.083 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.213 7.426 -3.457 1.00 0.00 H new ATOM 746 N HIS A 50 24.418 2.545 -1.780 1.00 0.00 N ATOM 747 CA HIS A 50 24.714 1.119 -1.691 1.00 0.00 C ATOM 748 C HIS A 50 23.591 0.252 -2.266 1.00 0.00 C ATOM 749 O HIS A 50 23.849 -0.866 -2.714 1.00 0.00 O ATOM 750 CB HIS A 50 24.959 0.746 -0.221 1.00 0.00 C ATOM 751 CG HIS A 50 25.975 1.635 0.451 1.00 0.00 C ATOM 752 ND1 HIS A 50 25.701 2.787 1.155 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.333 1.494 0.388 1.00 0.00 C ATOM 754 CE1 HIS A 50 26.878 3.350 1.486 1.00 0.00 C ATOM 755 NE2 HIS A 50 27.903 2.583 1.062 1.00 0.00 N ATOM 0 H HIS A 50 24.234 2.969 -0.871 1.00 0.00 H new ATOM 0 HA HIS A 50 25.605 0.926 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.017 0.803 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.297 -0.289 -0.166 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.869 0.690 -0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 50 26.986 4.284 2.016 1.00 0.00 H new ATOM 0 HE2 HIS A 50 28.897 2.760 1.204 1.00 0.00 H new ATOM 763 N PHE A 51 22.353 0.752 -2.251 1.00 0.00 N ATOM 764 CA PHE A 51 21.158 0.060 -2.706 1.00 0.00 C ATOM 765 C PHE A 51 21.282 -0.243 -4.191 1.00 0.00 C ATOM 766 O PHE A 51 21.008 -1.366 -4.612 1.00 0.00 O ATOM 767 CB PHE A 51 19.928 0.942 -2.434 1.00 0.00 C ATOM 768 CG PHE A 51 18.569 0.272 -2.449 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.089 -0.321 -3.631 1.00 0.00 C ATOM 770 CD2 PHE A 51 17.721 0.367 -1.328 1.00 0.00 C ATOM 771 CE1 PHE A 51 16.761 -0.756 -3.723 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.388 -0.071 -1.420 1.00 0.00 C ATOM 773 CZ PHE A 51 15.900 -0.595 -2.631 1.00 0.00 C ATOM 0 H PHE A 51 22.154 1.691 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 51 21.043 -0.881 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.060 1.412 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.917 1.741 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.751 -0.442 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.094 0.775 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.402 -1.214 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.738 -0.005 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 51 14.860 -0.873 -2.718 1.00 0.00 H new ATOM 783 N ILE A 52 21.698 0.743 -4.992 1.00 0.00 N ATOM 784 CA ILE A 52 21.798 0.555 -6.432 1.00 0.00 C ATOM 785 C ILE A 52 22.804 -0.563 -6.714 1.00 0.00 C ATOM 786 O ILE A 52 22.510 -1.453 -7.503 1.00 0.00 O ATOM 787 CB ILE A 52 22.087 1.875 -7.180 1.00 0.00 C ATOM 788 CG1 ILE A 52 21.161 3.030 -6.733 1.00 0.00 C ATOM 789 CG2 ILE A 52 21.882 1.654 -8.684 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.893 4.008 -5.819 1.00 0.00 C ATOM 0 H ILE A 52 21.968 1.671 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 52 20.834 0.240 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 52 23.114 2.156 -6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 52 20.787 3.559 -7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.294 2.623 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 52 22.084 2.582 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.563 0.878 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 52 20.853 1.345 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.214 4.807 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 22.244 3.483 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.745 4.433 -6.349 1.00 0.00 H new ATOM 802 N GLN A 53 23.934 -0.594 -6.003 1.00 0.00 N ATOM 803 CA GLN A 53 24.916 -1.663 -6.137 1.00 0.00 C ATOM 804 C GLN A 53 24.370 -3.025 -5.667 1.00 0.00 C ATOM 805 O GLN A 53 24.913 -4.058 -6.065 1.00 0.00 O ATOM 806 CB GLN A 53 26.198 -1.289 -5.374 1.00 0.00 C ATOM 807 CG GLN A 53 26.903 -0.015 -5.872 1.00 0.00 C ATOM 808 CD GLN A 53 27.467 -0.118 -7.291 1.00 0.00 C ATOM 809 OE1 GLN A 53 27.551 -1.193 -7.882 1.00 0.00 O ATOM 810 NE2 GLN A 53 27.873 0.991 -7.881 1.00 0.00 N ATOM 0 H GLN A 53 24.190 0.121 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 53 25.147 -1.773 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.951 -1.161 -4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.898 -2.122 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.197 0.815 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.716 0.227 -5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.804 1.884 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.256 0.955 -8.826 1.00 0.00 H new ATOM 819 N GLN A 54 23.360 -3.071 -4.786 1.00 0.00 N ATOM 820 CA GLN A 54 22.728 -4.319 -4.350 1.00 0.00 C ATOM 821 C GLN A 54 21.699 -4.828 -5.356 1.00 0.00 C ATOM 822 O GLN A 54 21.410 -6.024 -5.334 1.00 0.00 O ATOM 823 CB GLN A 54 22.086 -4.201 -2.959 1.00 0.00 C ATOM 824 CG GLN A 54 23.148 -4.193 -1.851 1.00 0.00 C ATOM 825 CD GLN A 54 22.598 -4.645 -0.502 1.00 0.00 C ATOM 826 OE1 GLN A 54 21.949 -5.682 -0.390 1.00 0.00 O ATOM 827 NE2 GLN A 54 22.889 -3.924 0.563 1.00 0.00 N ATOM 0 H GLN A 54 22.959 -2.238 -4.355 1.00 0.00 H new ATOM 0 HA GLN A 54 23.537 -5.047 -4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.495 -3.286 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.400 -5.033 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.972 -4.845 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.557 -3.187 -1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.428 -3.064 0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.575 -4.227 1.485 1.00 0.00 H new ATOM 836 N CYS A 55 21.119 -3.966 -6.202 1.00 0.00 N ATOM 837 CA CYS A 55 20.202 -4.411 -7.247 1.00 0.00 C ATOM 838 C CYS A 55 21.040 -5.354 -8.107 1.00 0.00 C ATOM 839 O CYS A 55 22.079 -4.963 -8.647 1.00 0.00 O ATOM 840 CB CYS A 55 19.629 -3.214 -7.993 1.00 0.00 C ATOM 841 SG CYS A 55 18.606 -2.269 -6.826 1.00 0.00 S ATOM 0 H CYS A 55 21.272 -2.958 -6.179 1.00 0.00 H new ATOM 0 HA CYS A 55 19.320 -4.933 -6.875 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.431 -2.591 -8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 55 19.032 -3.544 -8.843 1.00 0.00 H new ATOM 0 HG CYS A 55 19.352 -1.817 -5.862 1.00 0.00 H new ATOM 847 N THR A 56 20.576 -6.583 -8.266 1.00 0.00 N ATOM 848 CA THR A 56 21.284 -7.626 -8.953 1.00 0.00 C ATOM 849 C THR A 56 21.146 -7.616 -10.466 1.00 0.00 C ATOM 850 O THR A 56 20.386 -6.842 -11.053 1.00 0.00 O ATOM 851 CB THR A 56 20.677 -8.896 -8.345 1.00 0.00 C ATOM 852 OG1 THR A 56 19.275 -8.856 -8.577 1.00 0.00 O ATOM 853 CG2 THR A 56 20.862 -8.946 -6.813 1.00 0.00 C ATOM 0 H THR A 56 19.669 -6.881 -7.906 1.00 0.00 H new ATOM 0 HA THR A 56 22.361 -7.521 -8.820 1.00 0.00 H new ATOM 0 HB THR A 56 21.169 -9.757 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 56 18.807 -8.711 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 56 20.418 -9.862 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 56 21.925 -8.928 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 56 20.374 -8.084 -6.359 1.00 0.00 H new ATOM 861 N ASP A 57 21.910 -8.513 -11.079 1.00 0.00 N ATOM 862 CA ASP A 57 21.954 -8.810 -12.492 1.00 0.00 C ATOM 863 C ASP A 57 20.578 -9.296 -12.953 1.00 0.00 C ATOM 864 O ASP A 57 19.851 -8.528 -13.581 1.00 0.00 O ATOM 865 CB ASP A 57 23.084 -9.830 -12.773 1.00 0.00 C ATOM 866 CG ASP A 57 23.023 -11.094 -11.904 1.00 0.00 C ATOM 867 OD1 ASP A 57 23.215 -10.975 -10.671 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.747 -12.204 -12.415 1.00 0.00 O ATOM 0 H ASP A 57 22.563 -9.093 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 57 22.186 -7.914 -13.068 1.00 0.00 H new ATOM 0 HB2 ASP A 57 23.042 -10.122 -13.822 1.00 0.00 H new ATOM 0 HB3 ASP A 57 24.046 -9.342 -12.617 1.00 0.00 H new ATOM 873 N ASP A 58 20.213 -10.543 -12.655 1.00 0.00 N ATOM 874 CA ASP A 58 18.973 -11.154 -13.105 1.00 0.00 C ATOM 875 C ASP A 58 17.916 -11.310 -12.026 1.00 0.00 C ATOM 876 O ASP A 58 16.751 -11.074 -12.317 1.00 0.00 O ATOM 877 CB ASP A 58 19.322 -12.544 -13.645 1.00 0.00 C ATOM 878 CG ASP A 58 18.142 -13.291 -14.263 1.00 0.00 C ATOM 879 OD1 ASP A 58 17.367 -13.939 -13.527 1.00 0.00 O ATOM 880 OD2 ASP A 58 18.074 -13.383 -15.503 1.00 0.00 O ATOM 0 H ASP A 58 20.785 -11.164 -12.083 1.00 0.00 H new ATOM 0 HA ASP A 58 18.541 -10.491 -13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.107 -12.443 -14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.732 -13.144 -12.833 1.00 0.00 H new ATOM 885 N VAL A 59 18.308 -11.617 -10.779 1.00 0.00 N ATOM 886 CA VAL A 59 17.360 -11.895 -9.709 1.00 0.00 C ATOM 887 C VAL A 59 16.412 -10.744 -9.375 1.00 0.00 C ATOM 888 O VAL A 59 16.654 -9.581 -9.704 1.00 0.00 O ATOM 889 CB VAL A 59 18.073 -12.427 -8.438 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.238 -13.377 -8.746 1.00 0.00 C ATOM 891 CG2 VAL A 59 18.558 -11.450 -7.367 1.00 0.00 C ATOM 0 H VAL A 59 19.286 -11.677 -10.494 1.00 0.00 H new ATOM 0 HA VAL A 59 16.718 -12.682 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 59 17.215 -12.932 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 59 19.691 -13.711 -7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.867 -14.240 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.984 -12.855 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.030 -12.004 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.280 -10.760 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 59 17.710 -10.888 -6.976 1.00 0.00 H new ATOM 901 N ARG A 60 15.367 -11.090 -8.622 1.00 0.00 N ATOM 902 CA ARG A 60 14.378 -10.165 -8.091 1.00 0.00 C ATOM 903 C ARG A 60 14.694 -9.976 -6.605 1.00 0.00 C ATOM 904 O ARG A 60 15.223 -10.893 -5.967 1.00 0.00 O ATOM 905 CB ARG A 60 12.963 -10.725 -8.338 1.00 0.00 C ATOM 906 CG ARG A 60 12.606 -11.913 -7.425 1.00 0.00 C ATOM 907 CD ARG A 60 11.500 -12.797 -8.010 1.00 0.00 C ATOM 908 NE ARG A 60 11.109 -13.850 -7.055 1.00 0.00 N ATOM 909 CZ ARG A 60 11.738 -14.999 -6.782 1.00 0.00 C ATOM 910 NH1 ARG A 60 12.836 -15.339 -7.450 1.00 0.00 N ATOM 911 NH2 ARG A 60 11.260 -15.809 -5.844 1.00 0.00 N ATOM 0 H ARG A 60 15.184 -12.058 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 60 14.413 -9.194 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.234 -9.929 -8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.881 -11.039 -9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.497 -12.517 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.288 -11.536 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.633 -12.185 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.845 -13.252 -8.938 1.00 0.00 H new ATOM 0 HE ARG A 60 10.248 -13.681 -6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.203 -14.723 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.311 -16.216 -7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.415 -15.555 -5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.738 -16.685 -5.635 1.00 0.00 H new ATOM 925 N LEU A 61 14.364 -8.830 -6.024 1.00 0.00 N ATOM 926 CA LEU A 61 14.606 -8.518 -4.613 1.00 0.00 C ATOM 927 C LEU A 61 13.499 -7.590 -4.141 1.00 0.00 C ATOM 928 O LEU A 61 12.806 -6.987 -4.959 1.00 0.00 O ATOM 929 CB LEU A 61 16.014 -7.899 -4.464 1.00 0.00 C ATOM 930 CG LEU A 61 16.440 -7.378 -3.077 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.506 -8.518 -2.056 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.821 -6.722 -3.173 1.00 0.00 C ATOM 0 H LEU A 61 13.909 -8.070 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 61 14.586 -9.412 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.741 -8.649 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.089 -7.070 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 61 15.697 -6.651 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.809 -8.121 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.525 -8.984 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.232 -9.261 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.119 -6.355 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.548 -7.455 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.780 -5.889 -3.874 1.00 0.00 H new ATOM 944 N PHE A 62 13.310 -7.486 -2.832 1.00 0.00 N ATOM 945 CA PHE A 62 12.337 -6.556 -2.258 1.00 0.00 C ATOM 946 C PHE A 62 13.041 -5.698 -1.213 1.00 0.00 C ATOM 947 O PHE A 62 13.992 -6.160 -0.576 1.00 0.00 O ATOM 948 CB PHE A 62 11.156 -7.317 -1.645 1.00 0.00 C ATOM 949 CG PHE A 62 10.089 -7.829 -2.600 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.355 -8.864 -3.520 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.780 -7.324 -2.497 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.308 -9.434 -4.269 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.731 -7.906 -3.226 1.00 0.00 C ATOM 954 CZ PHE A 62 7.991 -8.978 -4.093 1.00 0.00 C ATOM 0 H PHE A 62 13.820 -8.037 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 62 11.935 -5.913 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.553 -8.169 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.674 -6.664 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.366 -9.221 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.580 -6.481 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.517 -10.221 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.725 -7.529 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.179 -9.452 -4.625 1.00 0.00 H new ATOM 964 N ALA A 63 12.569 -4.468 -1.003 1.00 0.00 N ATOM 965 CA ALA A 63 13.139 -3.557 -0.030 1.00 0.00 C ATOM 966 C ALA A 63 12.080 -2.685 0.614 1.00 0.00 C ATOM 967 O ALA A 63 11.016 -2.463 0.052 1.00 0.00 O ATOM 968 CB ALA A 63 14.200 -2.699 -0.710 1.00 0.00 C ATOM 0 H ALA A 63 11.774 -4.081 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 63 13.595 -4.144 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.633 -2.011 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.983 -3.341 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.744 -2.130 -1.520 1.00 0.00 H new ATOM 974 N PHE A 64 12.392 -2.166 1.791 1.00 0.00 N ATOM 975 CA PHE A 64 11.510 -1.338 2.591 1.00 0.00 C ATOM 976 C PHE A 64 12.334 -0.127 2.997 1.00 0.00 C ATOM 977 O PHE A 64 13.404 -0.287 3.587 1.00 0.00 O ATOM 978 CB PHE A 64 11.025 -2.189 3.769 1.00 0.00 C ATOM 979 CG PHE A 64 10.197 -1.472 4.813 1.00 0.00 C ATOM 980 CD1 PHE A 64 9.016 -0.801 4.443 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.586 -1.514 6.165 1.00 0.00 C ATOM 982 CE1 PHE A 64 8.228 -0.178 5.425 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.801 -0.876 7.140 1.00 0.00 C ATOM 984 CZ PHE A 64 8.625 -0.214 6.770 1.00 0.00 C ATOM 0 H PHE A 64 13.300 -2.317 2.230 1.00 0.00 H new ATOM 0 HA PHE A 64 10.618 -0.985 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.437 -3.017 3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.896 -2.622 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.716 -0.765 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.487 -2.036 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.316 0.329 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.105 -0.897 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.021 0.271 7.523 1.00 0.00 H new ATOM 994 N VAL A 65 11.857 1.075 2.677 1.00 0.00 N ATOM 995 CA VAL A 65 12.594 2.309 2.919 1.00 0.00 C ATOM 996 C VAL A 65 11.636 3.370 3.462 1.00 0.00 C ATOM 997 O VAL A 65 10.480 3.439 3.019 1.00 0.00 O ATOM 998 CB VAL A 65 13.188 2.770 1.563 1.00 0.00 C ATOM 999 CG1 VAL A 65 14.099 3.998 1.676 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.996 1.664 0.865 1.00 0.00 C ATOM 0 H VAL A 65 10.946 1.218 2.242 1.00 0.00 H new ATOM 0 HA VAL A 65 13.390 2.155 3.648 1.00 0.00 H new ATOM 0 HB VAL A 65 12.308 3.028 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.477 4.262 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.532 4.835 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.936 3.771 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.389 2.041 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.823 1.358 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.350 0.807 0.673 1.00 0.00 H new ATOM 1010 N ARG A 66 12.092 4.189 4.418 1.00 0.00 N ATOM 1011 CA ARG A 66 11.282 5.297 4.923 1.00 0.00 C ATOM 1012 C ARG A 66 11.464 6.483 3.985 1.00 0.00 C ATOM 1013 O ARG A 66 12.583 6.757 3.548 1.00 0.00 O ATOM 1014 CB ARG A 66 11.622 5.673 6.372 1.00 0.00 C ATOM 1015 CG ARG A 66 10.589 6.697 6.895 1.00 0.00 C ATOM 1016 CD ARG A 66 10.727 7.049 8.374 1.00 0.00 C ATOM 1017 NE ARG A 66 11.985 7.745 8.665 1.00 0.00 N ATOM 1018 CZ ARG A 66 13.051 7.192 9.246 1.00 0.00 C ATOM 1019 NH1 ARG A 66 13.084 5.890 9.464 1.00 0.00 N ATOM 1020 NH2 ARG A 66 14.086 7.934 9.613 1.00 0.00 N ATOM 0 H ARG A 66 13.011 4.104 4.853 1.00 0.00 H new ATOM 0 HA ARG A 66 10.237 4.986 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.617 4.783 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.626 6.094 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.677 7.612 6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.588 6.302 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.889 7.677 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.673 6.137 8.969 1.00 0.00 H new ATOM 0 HE ARG A 66 12.050 8.729 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.294 5.307 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.899 5.468 9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.074 8.941 9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.895 7.498 10.056 1.00 0.00 H new ATOM 1034 N PHE A 67 10.373 7.179 3.685 1.00 0.00 N ATOM 1035 CA PHE A 67 10.318 8.309 2.774 1.00 0.00 C ATOM 1036 C PHE A 67 9.460 9.394 3.425 1.00 0.00 C ATOM 1037 O PHE A 67 8.545 9.073 4.182 1.00 0.00 O ATOM 1038 CB PHE A 67 9.707 7.780 1.470 1.00 0.00 C ATOM 1039 CG PHE A 67 9.697 8.740 0.308 1.00 0.00 C ATOM 1040 CD1 PHE A 67 10.852 8.880 -0.476 1.00 0.00 C ATOM 1041 CD2 PHE A 67 8.530 9.440 -0.039 1.00 0.00 C ATOM 1042 CE1 PHE A 67 10.874 9.779 -1.555 1.00 0.00 C ATOM 1043 CE2 PHE A 67 8.546 10.323 -1.130 1.00 0.00 C ATOM 1044 CZ PHE A 67 9.725 10.526 -1.864 1.00 0.00 C ATOM 0 H PHE A 67 9.463 6.958 4.090 1.00 0.00 H new ATOM 0 HA PHE A 67 11.293 8.746 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.254 6.886 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.681 7.473 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.730 8.293 -0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.624 9.299 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.771 9.896 -2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.645 10.850 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.749 11.253 -2.662 1.00 0.00 H new ATOM 1054 N THR A 68 9.665 10.666 3.095 1.00 0.00 N ATOM 1055 CA THR A 68 8.911 11.755 3.676 1.00 0.00 C ATOM 1056 C THR A 68 8.238 12.546 2.562 1.00 0.00 C ATOM 1057 O THR A 68 8.898 13.150 1.716 1.00 0.00 O ATOM 1058 CB THR A 68 9.866 12.634 4.494 1.00 0.00 C ATOM 1059 OG1 THR A 68 10.488 11.891 5.527 1.00 0.00 O ATOM 1060 CG2 THR A 68 9.071 13.782 5.105 1.00 0.00 C ATOM 0 H THR A 68 10.363 10.964 2.414 1.00 0.00 H new ATOM 0 HA THR A 68 8.133 11.379 4.341 1.00 0.00 H new ATOM 0 HB THR A 68 10.645 13.015 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.092 12.475 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.738 14.416 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.614 14.372 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.291 13.381 5.753 1.00 0.00 H new ATOM 1068 N THR A 69 6.910 12.506 2.509 1.00 0.00 N ATOM 1069 CA THR A 69 6.100 13.285 1.573 1.00 0.00 C ATOM 1070 C THR A 69 4.709 13.424 2.183 1.00 0.00 C ATOM 1071 O THR A 69 4.182 12.442 2.709 1.00 0.00 O ATOM 1072 CB THR A 69 6.143 12.682 0.156 1.00 0.00 C ATOM 1073 OG1 THR A 69 7.345 13.116 -0.450 1.00 0.00 O ATOM 1074 CG2 THR A 69 4.999 13.097 -0.776 1.00 0.00 C ATOM 0 H THR A 69 6.353 11.918 3.129 1.00 0.00 H new ATOM 0 HA THR A 69 6.498 14.289 1.428 1.00 0.00 H new ATOM 0 HB THR A 69 6.059 11.603 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.005 13.325 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.127 12.616 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.047 12.791 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.008 14.179 -0.904 1.00 0.00 H new ATOM 1082 N GLY A 70 4.094 14.597 2.031 1.00 0.00 N ATOM 1083 CA GLY A 70 2.811 14.953 2.617 1.00 0.00 C ATOM 1084 C GLY A 70 3.061 15.145 4.091 1.00 0.00 C ATOM 1085 O GLY A 70 3.347 14.212 4.834 1.00 0.00 O ATOM 0 H GLY A 70 4.495 15.351 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.417 15.864 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.074 14.168 2.446 1.00 0.00 H new ATOM 1089 N ASP A 71 2.895 16.387 4.486 1.00 0.00 N ATOM 1090 CA ASP A 71 3.156 16.902 5.821 1.00 0.00 C ATOM 1091 C ASP A 71 1.926 17.573 6.414 1.00 0.00 C ATOM 1092 O ASP A 71 0.858 17.622 5.802 1.00 0.00 O ATOM 1093 CB ASP A 71 4.401 17.809 5.802 1.00 0.00 C ATOM 1094 CG ASP A 71 5.696 16.993 5.849 1.00 0.00 C ATOM 1095 OD1 ASP A 71 5.912 16.302 6.870 1.00 0.00 O ATOM 1096 OD2 ASP A 71 6.539 17.113 4.930 1.00 0.00 O ATOM 0 H ASP A 71 2.555 17.110 3.852 1.00 0.00 H new ATOM 0 HA ASP A 71 3.378 16.069 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.390 18.423 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.369 18.490 6.653 1.00 0.00 H new ATOM 1101 N ALA A 72 2.070 17.998 7.663 1.00 0.00 N ATOM 1102 CA ALA A 72 1.126 18.701 8.511 1.00 0.00 C ATOM 1103 C ALA A 72 1.945 19.723 9.313 1.00 0.00 C ATOM 1104 O ALA A 72 3.133 19.909 9.048 1.00 0.00 O ATOM 1105 CB ALA A 72 0.392 17.693 9.407 1.00 0.00 C ATOM 0 H ALA A 72 2.948 17.839 8.156 1.00 0.00 H new ATOM 0 HA ALA A 72 0.355 19.220 7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.317 18.221 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.143 16.976 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.115 17.165 10.029 1.00 0.00 H new ATOM 1111 N MET A 73 1.324 20.408 10.277 1.00 0.00 N ATOM 1112 CA MET A 73 1.965 21.355 11.197 1.00 0.00 C ATOM 1113 C MET A 73 3.147 20.743 11.992 1.00 0.00 C ATOM 1114 O MET A 73 3.709 21.384 12.876 1.00 0.00 O ATOM 1115 CB MET A 73 0.916 21.955 12.156 1.00 0.00 C ATOM 1116 CG MET A 73 -0.259 22.647 11.446 1.00 0.00 C ATOM 1117 SD MET A 73 -1.534 21.546 10.760 1.00 0.00 S ATOM 1118 CE MET A 73 -2.623 22.783 10.006 1.00 0.00 C ATOM 0 H MET A 73 0.322 20.315 10.446 1.00 0.00 H new ATOM 0 HA MET A 73 2.395 22.145 10.581 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.525 21.161 12.793 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.407 22.676 12.810 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.736 23.327 12.152 1.00 0.00 H new ATOM 0 HG3 MET A 73 0.140 23.258 10.636 1.00 0.00 H new ATOM 0 HE1 MET A 73 -3.469 22.283 9.533 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.988 23.464 10.775 1.00 0.00 H new ATOM 0 HE3 MET A 73 -2.069 23.347 9.256 1.00 0.00 H new ATOM 1128 N SER A 74 3.479 19.471 11.782 1.00 0.00 N ATOM 1129 CA SER A 74 4.589 18.726 12.331 1.00 0.00 C ATOM 1130 C SER A 74 5.005 17.742 11.228 1.00 0.00 C ATOM 1131 O SER A 74 4.162 17.366 10.403 1.00 0.00 O ATOM 1132 CB SER A 74 4.128 18.028 13.604 1.00 0.00 C ATOM 1133 OG SER A 74 3.765 18.994 14.573 1.00 0.00 O ATOM 0 H SER A 74 2.917 18.888 11.162 1.00 0.00 H new ATOM 0 HA SER A 74 5.440 19.347 12.610 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.279 17.379 13.388 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.925 17.392 13.991 1.00 0.00 H new ATOM 0 HG SER A 74 3.844 19.891 14.186 1.00 0.00 H new ATOM 1139 N LYS A 75 6.280 17.326 11.192 1.00 0.00 N ATOM 1140 CA LYS A 75 6.750 16.421 10.138 1.00 0.00 C ATOM 1141 C LYS A 75 5.984 15.108 10.205 1.00 0.00 C ATOM 1142 O LYS A 75 5.513 14.687 11.267 1.00 0.00 O ATOM 1143 CB LYS A 75 8.258 16.125 10.233 1.00 0.00 C ATOM 1144 CG LYS A 75 9.187 17.317 9.927 1.00 0.00 C ATOM 1145 CD LYS A 75 9.715 17.323 8.481 1.00 0.00 C ATOM 1146 CE LYS A 75 8.571 17.291 7.463 1.00 0.00 C ATOM 1147 NZ LYS A 75 9.008 17.392 6.058 1.00 0.00 N ATOM 0 H LYS A 75 6.992 17.598 11.870 1.00 0.00 H new ATOM 0 HA LYS A 75 6.571 16.926 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.477 15.764 11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.496 15.315 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.648 18.246 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.032 17.296 10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.323 18.213 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.364 16.461 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.011 16.365 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.885 18.111 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.175 17.466 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.603 18.237 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.555 16.545 5.803 1.00 0.00 H new ATOM 1161 N ARG A 76 5.928 14.434 9.069 1.00 0.00 N ATOM 1162 CA ARG A 76 5.241 13.168 8.857 1.00 0.00 C ATOM 1163 C ARG A 76 6.155 12.220 8.101 1.00 0.00 C ATOM 1164 O ARG A 76 7.268 12.578 7.725 1.00 0.00 O ATOM 1165 CB ARG A 76 3.934 13.407 8.096 1.00 0.00 C ATOM 1166 CG ARG A 76 2.987 14.380 8.817 1.00 0.00 C ATOM 1167 CD ARG A 76 1.562 14.210 8.290 1.00 0.00 C ATOM 1168 NE ARG A 76 0.990 12.943 8.778 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.127 12.138 8.154 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -0.378 12.459 6.965 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.213 11.007 8.755 1.00 0.00 N ATOM 0 H ARG A 76 6.385 14.773 8.222 1.00 0.00 H new ATOM 0 HA ARG A 76 4.992 12.715 9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.164 13.800 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.425 12.454 7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.011 14.195 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.320 15.406 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.943 15.046 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.565 14.221 7.200 1.00 0.00 H new ATOM 0 HE ARG A 76 1.290 12.644 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.107 13.333 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.036 11.831 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.182 10.775 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.870 10.369 8.306 1.00 0.00 H new ATOM 1185 N SER A 77 5.677 10.996 7.907 1.00 0.00 N ATOM 1186 CA SER A 77 6.414 9.918 7.282 1.00 0.00 C ATOM 1187 C SER A 77 5.480 9.081 6.406 1.00 0.00 C ATOM 1188 O SER A 77 4.244 9.114 6.542 1.00 0.00 O ATOM 1189 CB SER A 77 7.052 9.124 8.438 1.00 0.00 C ATOM 1190 OG SER A 77 7.502 7.837 8.096 1.00 0.00 O ATOM 0 H SER A 77 4.736 10.724 8.191 1.00 0.00 H new ATOM 0 HA SER A 77 7.195 10.270 6.608 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.894 9.695 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.324 9.036 9.244 1.00 0.00 H new ATOM 0 HG SER A 77 6.757 7.203 8.155 1.00 0.00 H new ATOM 1196 N LYS A 78 6.111 8.351 5.488 1.00 0.00 N ATOM 1197 CA LYS A 78 5.603 7.387 4.526 1.00 0.00 C ATOM 1198 C LYS A 78 6.668 6.303 4.391 1.00 0.00 C ATOM 1199 O LYS A 78 7.795 6.436 4.863 1.00 0.00 O ATOM 1200 CB LYS A 78 5.399 8.058 3.153 1.00 0.00 C ATOM 1201 CG LYS A 78 4.089 8.837 3.077 1.00 0.00 C ATOM 1202 CD LYS A 78 3.886 9.427 1.674 1.00 0.00 C ATOM 1203 CE LYS A 78 2.472 9.976 1.435 1.00 0.00 C ATOM 1204 NZ LYS A 78 1.962 10.833 2.525 1.00 0.00 N ATOM 0 H LYS A 78 7.123 8.437 5.394 1.00 0.00 H new ATOM 0 HA LYS A 78 4.647 6.982 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.232 8.732 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.412 7.296 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.255 8.180 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.094 9.638 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.609 10.228 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.098 8.658 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.469 10.548 0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.788 9.139 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.083 11.298 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.771 10.250 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.672 11.556 2.760 1.00 0.00 H new ATOM 1218 N PHE A 79 6.323 5.234 3.686 1.00 0.00 N ATOM 1219 CA PHE A 79 7.252 4.157 3.389 1.00 0.00 C ATOM 1220 C PHE A 79 6.943 3.672 1.992 1.00 0.00 C ATOM 1221 O PHE A 79 5.767 3.611 1.612 1.00 0.00 O ATOM 1222 CB PHE A 79 7.134 2.999 4.383 1.00 0.00 C ATOM 1223 CG PHE A 79 7.209 3.420 5.832 1.00 0.00 C ATOM 1224 CD1 PHE A 79 6.065 3.919 6.489 1.00 0.00 C ATOM 1225 CD2 PHE A 79 8.449 3.411 6.491 1.00 0.00 C ATOM 1226 CE1 PHE A 79 6.170 4.448 7.783 1.00 0.00 C ATOM 1227 CE2 PHE A 79 8.546 3.926 7.790 1.00 0.00 C ATOM 1228 CZ PHE A 79 7.413 4.442 8.436 1.00 0.00 C ATOM 0 H PHE A 79 5.388 5.091 3.304 1.00 0.00 H new ATOM 0 HA PHE A 79 8.273 4.530 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.188 2.484 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.929 2.280 4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.106 3.893 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.323 3.009 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.300 4.858 8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.499 3.926 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.497 4.836 9.438 1.00 0.00 H new ATOM 1238 N ALA A 80 7.989 3.310 1.264 1.00 0.00 N ATOM 1239 CA ALA A 80 7.920 2.796 -0.085 1.00 0.00 C ATOM 1240 C ALA A 80 8.477 1.382 -0.041 1.00 0.00 C ATOM 1241 O ALA A 80 9.599 1.162 0.421 1.00 0.00 O ATOM 1242 CB ALA A 80 8.707 3.727 -1.023 1.00 0.00 C ATOM 0 H ALA A 80 8.944 3.371 1.616 1.00 0.00 H new ATOM 0 HA ALA A 80 6.902 2.762 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.658 3.343 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.274 4.727 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.748 3.772 -0.702 1.00 0.00 H new ATOM 1248 N LEU A 81 7.628 0.419 -0.391 1.00 0.00 N ATOM 1249 CA LEU A 81 8.014 -0.978 -0.506 1.00 0.00 C ATOM 1250 C LEU A 81 8.497 -1.055 -1.948 1.00 0.00 C ATOM 1251 O LEU A 81 7.729 -0.808 -2.870 1.00 0.00 O ATOM 1252 CB LEU A 81 6.814 -1.883 -0.172 1.00 0.00 C ATOM 1253 CG LEU A 81 6.984 -3.410 -0.350 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.589 -3.924 -1.737 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.365 -3.954 0.004 1.00 0.00 C ATOM 0 H LEU A 81 6.645 0.592 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 81 8.785 -1.320 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.534 -1.697 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.974 -1.566 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 81 6.278 -3.798 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.737 -5.003 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.540 -3.694 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.208 -3.442 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.383 -5.032 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.116 -3.482 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.585 -3.737 1.049 1.00 0.00 H new ATOM 1267 N ILE A 82 9.775 -1.294 -2.166 1.00 0.00 N ATOM 1268 CA ILE A 82 10.359 -1.305 -3.500 1.00 0.00 C ATOM 1269 C ILE A 82 10.508 -2.761 -3.895 1.00 0.00 C ATOM 1270 O ILE A 82 10.821 -3.608 -3.056 1.00 0.00 O ATOM 1271 CB ILE A 82 11.693 -0.530 -3.510 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.447 0.968 -3.207 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.452 -0.663 -4.839 1.00 0.00 C ATOM 1274 CD1 ILE A 82 12.068 1.341 -1.864 1.00 0.00 C ATOM 0 H ILE A 82 10.444 -1.488 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 82 9.727 -0.798 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 82 12.314 -0.974 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.877 1.582 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.376 1.173 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.382 -0.097 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.677 -1.713 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.836 -0.274 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.889 2.397 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.618 0.738 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.141 1.155 -1.895 1.00 0.00 H new ATOM 1286 N THR A 83 10.282 -3.049 -5.172 1.00 0.00 N ATOM 1287 CA THR A 83 10.475 -4.375 -5.710 1.00 0.00 C ATOM 1288 C THR A 83 11.415 -4.224 -6.899 1.00 0.00 C ATOM 1289 O THR A 83 11.133 -3.457 -7.825 1.00 0.00 O ATOM 1290 CB THR A 83 9.121 -4.978 -6.116 1.00 0.00 C ATOM 1291 OG1 THR A 83 8.095 -4.656 -5.194 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.246 -6.497 -6.165 1.00 0.00 C ATOM 0 H THR A 83 9.960 -2.365 -5.857 1.00 0.00 H new ATOM 0 HA THR A 83 10.908 -5.056 -4.978 1.00 0.00 H new ATOM 0 HB THR A 83 8.858 -4.563 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.251 -5.057 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.289 -6.932 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.005 -6.776 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.533 -6.870 -5.182 1.00 0.00 H new ATOM 1300 N TRP A 84 12.525 -4.948 -6.854 1.00 0.00 N ATOM 1301 CA TRP A 84 13.500 -5.020 -7.916 1.00 0.00 C ATOM 1302 C TRP A 84 13.093 -6.230 -8.737 1.00 0.00 C ATOM 1303 O TRP A 84 12.994 -7.326 -8.176 1.00 0.00 O ATOM 1304 CB TRP A 84 14.895 -5.279 -7.328 1.00 0.00 C ATOM 1305 CG TRP A 84 15.946 -5.528 -8.364 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.706 -6.641 -8.453 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.263 -4.732 -9.545 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.445 -6.606 -9.615 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.178 -5.471 -10.352 1.00 0.00 C ATOM 1310 CE3 TRP A 84 15.830 -3.482 -10.038 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.595 -5.016 -11.612 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.264 -3.006 -11.285 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.123 -3.781 -12.085 1.00 0.00 C ATOM 0 H TRP A 84 12.773 -5.519 -6.046 1.00 0.00 H new ATOM 0 HA TRP A 84 13.536 -4.099 -8.497 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.190 -4.422 -6.723 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.844 -6.139 -6.660 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.731 -7.437 -7.724 1.00 0.00 H new ATOM 0 HE1 TRP A 84 18.107 -7.329 -9.896 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.154 -2.883 -9.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.271 -5.608 -12.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 15.936 -2.038 -11.633 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.419 -3.427 -13.061 1.00 0.00 H new ATOM 1324 N ILE A 85 12.860 -6.066 -10.035 1.00 0.00 N ATOM 1325 CA ILE A 85 12.555 -7.175 -10.922 1.00 0.00 C ATOM 1326 C ILE A 85 13.235 -6.858 -12.246 1.00 0.00 C ATOM 1327 O ILE A 85 12.643 -6.160 -13.072 1.00 0.00 O ATOM 1328 CB ILE A 85 11.040 -7.434 -11.095 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.295 -7.489 -9.748 1.00 0.00 C ATOM 1330 CG2 ILE A 85 10.867 -8.768 -11.850 1.00 0.00 C ATOM 1331 CD1 ILE A 85 8.840 -7.915 -9.880 1.00 0.00 C ATOM 0 H ILE A 85 12.878 -5.158 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 85 12.928 -8.105 -10.493 1.00 0.00 H new ATOM 0 HB ILE A 85 10.607 -6.606 -11.656 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.810 -8.183 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.337 -6.507 -9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.805 -8.974 -11.985 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.350 -8.700 -12.825 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.323 -9.574 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.375 -7.933 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.310 -7.208 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.791 -8.910 -10.322 1.00 0.00 H new ATOM 1343 N GLY A 86 14.469 -7.320 -12.458 1.00 0.00 N ATOM 1344 CA GLY A 86 15.115 -7.124 -13.750 1.00 0.00 C ATOM 1345 C GLY A 86 14.244 -7.781 -14.829 1.00 0.00 C ATOM 1346 O GLY A 86 13.478 -8.705 -14.552 1.00 0.00 O ATOM 0 H GLY A 86 15.028 -7.821 -11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.237 -6.061 -13.956 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.112 -7.564 -13.747 1.00 0.00 H new ATOM 1350 N GLU A 87 14.340 -7.351 -16.082 1.00 0.00 N ATOM 1351 CA GLU A 87 13.580 -7.975 -17.165 1.00 0.00 C ATOM 1352 C GLU A 87 14.178 -9.343 -17.545 1.00 0.00 C ATOM 1353 O GLU A 87 13.646 -10.052 -18.404 1.00 0.00 O ATOM 1354 CB GLU A 87 13.504 -7.000 -18.344 1.00 0.00 C ATOM 1355 CG GLU A 87 12.411 -7.345 -19.365 1.00 0.00 C ATOM 1356 CD GLU A 87 12.227 -6.265 -20.436 1.00 0.00 C ATOM 1357 OE1 GLU A 87 12.908 -5.215 -20.403 1.00 0.00 O ATOM 1358 OE2 GLU A 87 11.372 -6.473 -21.327 1.00 0.00 O ATOM 0 H GLU A 87 14.934 -6.575 -16.375 1.00 0.00 H new ATOM 0 HA GLU A 87 12.561 -8.183 -16.837 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.326 -5.995 -17.961 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.469 -6.982 -18.851 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.659 -8.290 -19.849 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.467 -7.494 -18.841 1.00 0.00 H new ATOM 1365 N ASN A 88 15.304 -9.719 -16.938 1.00 0.00 N ATOM 1366 CA ASN A 88 16.024 -10.940 -17.262 1.00 0.00 C ATOM 1367 C ASN A 88 15.427 -12.136 -16.517 1.00 0.00 C ATOM 1368 O ASN A 88 15.334 -13.214 -17.110 1.00 0.00 O ATOM 1369 CB ASN A 88 17.525 -10.742 -17.030 1.00 0.00 C ATOM 1370 CG ASN A 88 18.131 -9.687 -17.951 1.00 0.00 C ATOM 1371 OD1 ASN A 88 17.595 -9.398 -19.016 1.00 0.00 O ATOM 1372 ND2 ASN A 88 19.247 -9.095 -17.574 1.00 0.00 N ATOM 0 H ASN A 88 15.744 -9.173 -16.197 1.00 0.00 H new ATOM 0 HA ASN A 88 15.908 -11.171 -18.321 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.693 -10.452 -15.993 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.040 -11.690 -17.183 1.00 0.00 H new ATOM 0 HD21 ASN A 88 19.675 -8.387 -18.170 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.682 -9.345 -16.686 1.00 0.00 H new ATOM 1379 N VAL A 89 14.966 -11.969 -15.270 1.00 0.00 N ATOM 1380 CA VAL A 89 14.300 -13.037 -14.539 1.00 0.00 C ATOM 1381 C VAL A 89 13.008 -13.342 -15.307 1.00 0.00 C ATOM 1382 O VAL A 89 12.238 -12.438 -15.641 1.00 0.00 O ATOM 1383 CB VAL A 89 14.109 -12.660 -13.057 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.629 -11.229 -12.784 1.00 0.00 C ATOM 1385 CG2 VAL A 89 13.175 -13.628 -12.327 1.00 0.00 C ATOM 0 H VAL A 89 15.047 -11.095 -14.750 1.00 0.00 H new ATOM 0 HA VAL A 89 14.895 -13.949 -14.491 1.00 0.00 H new ATOM 0 HB VAL A 89 15.124 -12.731 -12.667 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.530 -11.077 -11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.353 -10.520 -13.186 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.663 -11.072 -13.263 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.073 -13.320 -11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.196 -13.620 -12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.590 -14.635 -12.368 1.00 0.00 H new ATOM 1395 N SER A 90 12.787 -14.624 -15.611 1.00 0.00 N ATOM 1396 CA SER A 90 11.659 -15.053 -16.412 1.00 0.00 C ATOM 1397 C SER A 90 10.329 -14.683 -15.760 1.00 0.00 C ATOM 1398 O SER A 90 10.180 -14.636 -14.532 1.00 0.00 O ATOM 1399 CB SER A 90 11.740 -16.567 -16.622 1.00 0.00 C ATOM 1400 OG SER A 90 10.986 -16.997 -17.742 1.00 0.00 O ATOM 0 H SER A 90 13.391 -15.387 -15.304 1.00 0.00 H new ATOM 0 HA SER A 90 11.704 -14.540 -17.372 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.782 -16.858 -16.755 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.379 -17.075 -15.728 1.00 0.00 H new ATOM 0 HG SER A 90 11.068 -17.969 -17.838 1.00 0.00 H new ATOM 1406 N GLY A 91 9.314 -14.542 -16.609 1.00 0.00 N ATOM 1407 CA GLY A 91 7.940 -14.279 -16.242 1.00 0.00 C ATOM 1408 C GLY A 91 7.387 -15.278 -15.237 1.00 0.00 C ATOM 1409 O GLY A 91 6.526 -14.917 -14.434 1.00 0.00 O ATOM 0 H GLY A 91 9.442 -14.613 -17.618 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.868 -13.275 -15.824 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.321 -14.296 -17.139 1.00 0.00 H new ATOM 1413 N LEU A 92 7.860 -16.523 -15.272 1.00 0.00 N ATOM 1414 CA LEU A 92 7.458 -17.583 -14.360 1.00 0.00 C ATOM 1415 C LEU A 92 7.835 -17.243 -12.922 1.00 0.00 C ATOM 1416 O LEU A 92 7.048 -17.510 -12.009 1.00 0.00 O ATOM 1417 CB LEU A 92 8.063 -18.903 -14.870 1.00 0.00 C ATOM 1418 CG LEU A 92 7.828 -20.114 -13.949 1.00 0.00 C ATOM 1419 CD1 LEU A 92 7.745 -21.389 -14.784 1.00 0.00 C ATOM 1420 CD2 LEU A 92 8.956 -20.290 -12.926 1.00 0.00 C ATOM 0 H LEU A 92 8.553 -16.827 -15.956 1.00 0.00 H new ATOM 0 HA LEU A 92 6.374 -17.694 -14.342 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.645 -19.124 -15.852 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.136 -18.768 -15.004 1.00 0.00 H new ATOM 0 HG LEU A 92 6.896 -19.931 -13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.579 -22.243 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.919 -21.308 -15.491 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.678 -21.527 -15.330 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.746 -21.156 -12.299 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.901 -20.440 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.024 -19.399 -12.302 1.00 0.00 H new ATOM 1432 N GLN A 93 9.026 -16.686 -12.709 1.00 0.00 N ATOM 1433 CA GLN A 93 9.486 -16.219 -11.418 1.00 0.00 C ATOM 1434 C GLN A 93 8.807 -14.885 -11.120 1.00 0.00 C ATOM 1435 O GLN A 93 8.338 -14.701 -10.001 1.00 0.00 O ATOM 1436 CB GLN A 93 11.011 -16.085 -11.427 1.00 0.00 C ATOM 1437 CG GLN A 93 11.724 -17.424 -11.210 1.00 0.00 C ATOM 1438 CD GLN A 93 11.783 -18.379 -12.403 1.00 0.00 C ATOM 1439 OE1 GLN A 93 11.493 -18.043 -13.550 1.00 0.00 O ATOM 1440 NE2 GLN A 93 12.179 -19.610 -12.143 1.00 0.00 N ATOM 0 H GLN A 93 9.709 -16.547 -13.453 1.00 0.00 H new ATOM 0 HA GLN A 93 9.226 -16.931 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.329 -15.659 -12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.315 -15.386 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.745 -17.216 -10.891 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.232 -17.941 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.417 -19.878 -11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.247 -20.294 -12.897 1.00 0.00 H new ATOM 1449 N ARG A 94 8.669 -13.977 -12.099 1.00 0.00 N ATOM 1450 CA ARG A 94 7.946 -12.716 -11.900 1.00 0.00 C ATOM 1451 C ARG A 94 6.538 -13.003 -11.376 1.00 0.00 C ATOM 1452 O ARG A 94 6.073 -12.254 -10.520 1.00 0.00 O ATOM 1453 CB ARG A 94 7.935 -11.892 -13.201 1.00 0.00 C ATOM 1454 CG ARG A 94 7.435 -10.440 -13.064 1.00 0.00 C ATOM 1455 CD ARG A 94 5.903 -10.287 -13.068 1.00 0.00 C ATOM 1456 NE ARG A 94 5.499 -8.903 -13.377 1.00 0.00 N ATOM 1457 CZ ARG A 94 4.750 -8.483 -14.408 1.00 0.00 C ATOM 1458 NH1 ARG A 94 4.226 -9.344 -15.275 1.00 0.00 N ATOM 1459 NH2 ARG A 94 4.523 -7.185 -14.550 1.00 0.00 N ATOM 0 H ARG A 94 9.050 -14.095 -13.038 1.00 0.00 H new ATOM 0 HA ARG A 94 8.458 -12.113 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.947 -11.873 -13.606 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.309 -12.406 -13.930 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.827 -10.021 -12.137 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.848 -9.849 -13.881 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.470 -10.966 -13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.505 -10.575 -12.095 1.00 0.00 H new ATOM 0 HE ARG A 94 5.826 -8.183 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.391 -10.344 -15.163 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.659 -9.004 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.916 -6.522 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.956 -6.849 -15.328 1.00 0.00 H new ATOM 1473 N ALA A 95 5.880 -14.093 -11.793 1.00 0.00 N ATOM 1474 CA ALA A 95 4.557 -14.452 -11.292 1.00 0.00 C ATOM 1475 C ALA A 95 4.508 -14.622 -9.773 1.00 0.00 C ATOM 1476 O ALA A 95 3.462 -14.340 -9.183 1.00 0.00 O ATOM 1477 CB ALA A 95 4.076 -15.732 -11.974 1.00 0.00 C ATOM 0 H ALA A 95 6.252 -14.745 -12.484 1.00 0.00 H new ATOM 0 HA ALA A 95 3.895 -13.620 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.088 -15.996 -11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.023 -15.572 -13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.774 -16.542 -11.761 1.00 0.00 H new ATOM 1483 N LYS A 96 5.603 -15.044 -9.122 1.00 0.00 N ATOM 1484 CA LYS A 96 5.635 -15.138 -7.662 1.00 0.00 C ATOM 1485 C LYS A 96 5.333 -13.791 -7.027 1.00 0.00 C ATOM 1486 O LYS A 96 4.670 -13.776 -5.999 1.00 0.00 O ATOM 1487 CB LYS A 96 6.995 -15.608 -7.132 1.00 0.00 C ATOM 1488 CG LYS A 96 7.270 -17.110 -7.166 1.00 0.00 C ATOM 1489 CD LYS A 96 6.328 -17.888 -6.229 1.00 0.00 C ATOM 1490 CE LYS A 96 6.865 -19.273 -5.840 1.00 0.00 C ATOM 1491 NZ LYS A 96 8.096 -19.207 -5.023 1.00 0.00 N ATOM 0 H LYS A 96 6.469 -15.323 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 96 4.875 -15.873 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.774 -15.108 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.092 -15.269 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.153 -17.477 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.304 -17.296 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.162 -17.303 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.359 -18.005 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.096 -19.812 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.067 -19.846 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.270 -20.132 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.902 -18.956 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.983 -18.486 -4.282 1.00 0.00 H new ATOM 1505 N THR A 97 5.703 -12.673 -7.652 1.00 0.00 N ATOM 1506 CA THR A 97 5.485 -11.345 -7.097 1.00 0.00 C ATOM 1507 C THR A 97 3.988 -11.139 -6.801 1.00 0.00 C ATOM 1508 O THR A 97 3.633 -10.501 -5.807 1.00 0.00 O ATOM 1509 CB THR A 97 5.990 -10.272 -8.077 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.186 -10.668 -8.713 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.306 -8.974 -7.335 1.00 0.00 C ATOM 0 H THR A 97 6.164 -12.668 -8.562 1.00 0.00 H new ATOM 0 HA THR A 97 6.043 -11.254 -6.165 1.00 0.00 H new ATOM 0 HB THR A 97 5.197 -10.131 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.974 -11.113 -9.560 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.662 -8.227 -8.044 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.405 -8.607 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.077 -9.161 -6.587 1.00 0.00 H new ATOM 1519 N GLY A 98 3.099 -11.720 -7.621 1.00 0.00 N ATOM 1520 CA GLY A 98 1.655 -11.650 -7.419 1.00 0.00 C ATOM 1521 C GLY A 98 1.163 -12.421 -6.186 1.00 0.00 C ATOM 1522 O GLY A 98 0.040 -12.186 -5.741 1.00 0.00 O ATOM 0 H GLY A 98 3.370 -12.254 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.361 -10.605 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.154 -12.042 -8.304 1.00 0.00 H new ATOM 1526 N THR A 99 1.986 -13.298 -5.615 1.00 0.00 N ATOM 1527 CA THR A 99 1.755 -14.083 -4.401 1.00 0.00 C ATOM 1528 C THR A 99 2.703 -13.617 -3.275 1.00 0.00 C ATOM 1529 O THR A 99 2.585 -14.076 -2.141 1.00 0.00 O ATOM 1530 CB THR A 99 1.974 -15.576 -4.749 1.00 0.00 C ATOM 1531 OG1 THR A 99 1.317 -15.891 -5.968 1.00 0.00 O ATOM 1532 CG2 THR A 99 1.430 -16.559 -3.705 1.00 0.00 C ATOM 0 H THR A 99 2.902 -13.494 -6.019 1.00 0.00 H new ATOM 0 HA THR A 99 0.737 -13.942 -4.039 1.00 0.00 H new ATOM 0 HB THR A 99 3.057 -15.690 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.461 -16.836 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.627 -17.581 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.921 -16.382 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.355 -16.414 -3.594 1.00 0.00 H new ATOM 1540 N ASP A 100 3.622 -12.688 -3.556 1.00 0.00 N ATOM 1541 CA ASP A 100 4.636 -12.225 -2.615 1.00 0.00 C ATOM 1542 C ASP A 100 4.297 -10.849 -2.061 1.00 0.00 C ATOM 1543 O ASP A 100 4.566 -10.578 -0.894 1.00 0.00 O ATOM 1544 CB ASP A 100 6.002 -12.119 -3.296 1.00 0.00 C ATOM 1545 CG ASP A 100 6.637 -13.440 -3.715 1.00 0.00 C ATOM 1546 OD1 ASP A 100 6.332 -14.493 -3.119 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.516 -13.412 -4.604 1.00 0.00 O ATOM 0 H ASP A 100 3.679 -12.229 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 100 4.664 -12.956 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.899 -11.490 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.686 -11.607 -2.619 1.00 0.00 H new ATOM 1552 N LYS A 101 3.696 -9.957 -2.857 1.00 0.00 N ATOM 1553 CA LYS A 101 3.404 -8.603 -2.379 1.00 0.00 C ATOM 1554 C LYS A 101 2.487 -8.638 -1.155 1.00 0.00 C ATOM 1555 O LYS A 101 2.671 -7.819 -0.260 1.00 0.00 O ATOM 1556 CB LYS A 101 2.871 -7.716 -3.518 1.00 0.00 C ATOM 1557 CG LYS A 101 4.031 -7.233 -4.407 1.00 0.00 C ATOM 1558 CD LYS A 101 3.612 -6.480 -5.680 1.00 0.00 C ATOM 1559 CE LYS A 101 2.880 -7.388 -6.680 1.00 0.00 C ATOM 1560 NZ LYS A 101 2.728 -6.765 -8.013 1.00 0.00 N ATOM 0 H LYS A 101 3.407 -10.144 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 101 4.334 -8.141 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.153 -8.275 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.341 -6.859 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.675 -6.582 -3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.630 -8.097 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.965 -5.645 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.496 -6.057 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.428 -8.325 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.895 -7.636 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.228 -7.420 -8.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.182 -5.884 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.667 -6.552 -8.406 1.00 0.00 H new ATOM 1574 N THR A 102 1.552 -9.586 -1.077 1.00 0.00 N ATOM 1575 CA THR A 102 0.669 -9.794 0.068 1.00 0.00 C ATOM 1576 C THR A 102 1.477 -10.269 1.288 1.00 0.00 C ATOM 1577 O THR A 102 1.147 -9.942 2.424 1.00 0.00 O ATOM 1578 CB THR A 102 -0.422 -10.808 -0.340 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.495 -10.832 0.576 1.00 0.00 O ATOM 1580 CG2 THR A 102 0.138 -12.228 -0.492 1.00 0.00 C ATOM 0 H THR A 102 1.384 -10.250 -1.833 1.00 0.00 H new ATOM 0 HA THR A 102 0.188 -8.859 0.358 1.00 0.00 H new ATOM 0 HB THR A 102 -0.792 -10.468 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.163 -11.485 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.665 -12.907 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.911 -12.234 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.566 -12.554 0.456 1.00 0.00 H new ATOM 1588 N LEU A 103 2.536 -11.050 1.064 1.00 0.00 N ATOM 1589 CA LEU A 103 3.360 -11.639 2.100 1.00 0.00 C ATOM 1590 C LEU A 103 4.171 -10.547 2.760 1.00 0.00 C ATOM 1591 O LEU A 103 3.973 -10.294 3.942 1.00 0.00 O ATOM 1592 CB LEU A 103 4.216 -12.763 1.502 1.00 0.00 C ATOM 1593 CG LEU A 103 3.449 -14.086 1.332 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.460 -15.175 0.987 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.636 -14.560 2.548 1.00 0.00 C ATOM 0 H LEU A 103 2.846 -11.292 0.123 1.00 0.00 H new ATOM 0 HA LEU A 103 2.749 -12.099 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.596 -12.444 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.081 -12.932 2.143 1.00 0.00 H new ATOM 0 HG LEU A 103 2.715 -13.898 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.942 -16.126 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.973 -14.915 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.189 -15.263 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.140 -15.501 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.303 -14.707 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.887 -13.809 2.800 1.00 0.00 H new ATOM 1607 N VAL A 104 5.062 -9.872 2.041 1.00 0.00 N ATOM 1608 CA VAL A 104 5.775 -8.752 2.655 1.00 0.00 C ATOM 1609 C VAL A 104 4.760 -7.688 3.122 1.00 0.00 C ATOM 1610 O VAL A 104 5.054 -7.002 4.098 1.00 0.00 O ATOM 1611 CB VAL A 104 6.959 -8.290 1.778 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.655 -8.302 0.279 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.535 -6.931 2.192 1.00 0.00 C ATOM 0 H VAL A 104 5.303 -10.068 1.070 1.00 0.00 H new ATOM 0 HA VAL A 104 6.282 -9.051 3.572 1.00 0.00 H new ATOM 0 HB VAL A 104 7.725 -9.043 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.533 -7.966 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.397 -9.314 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.818 -7.635 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.363 -6.671 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.759 -6.169 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.893 -6.986 3.220 1.00 0.00 H new ATOM 1623 N LYS A 105 3.547 -7.583 2.538 1.00 0.00 N ATOM 1624 CA LYS A 105 2.546 -6.642 3.052 1.00 0.00 C ATOM 1625 C LYS A 105 2.195 -7.031 4.486 1.00 0.00 C ATOM 1626 O LYS A 105 2.124 -6.125 5.300 1.00 0.00 O ATOM 1627 CB LYS A 105 1.284 -6.557 2.171 1.00 0.00 C ATOM 1628 CG LYS A 105 0.138 -5.720 2.770 1.00 0.00 C ATOM 1629 CD LYS A 105 -1.142 -5.864 1.936 1.00 0.00 C ATOM 1630 CE LYS A 105 -2.325 -5.267 2.710 1.00 0.00 C ATOM 1631 NZ LYS A 105 -3.623 -5.745 2.199 1.00 0.00 N ATOM 0 H LYS A 105 3.248 -8.127 1.729 1.00 0.00 H new ATOM 0 HA LYS A 105 2.981 -5.643 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.559 -6.133 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.919 -7.567 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.053 -6.039 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.433 -4.671 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.025 -5.355 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.330 -6.915 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.234 -5.526 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.289 -4.180 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.393 -5.316 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.723 -5.476 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.670 -6.780 2.286 1.00 0.00 H new ATOM 1645 N GLU A 106 2.025 -8.316 4.824 1.00 0.00 N ATOM 1646 CA GLU A 106 1.708 -8.773 6.186 1.00 0.00 C ATOM 1647 C GLU A 106 2.674 -8.185 7.222 1.00 0.00 C ATOM 1648 O GLU A 106 2.285 -7.984 8.373 1.00 0.00 O ATOM 1649 CB GLU A 106 1.755 -10.314 6.294 1.00 0.00 C ATOM 1650 CG GLU A 106 0.616 -11.057 5.592 1.00 0.00 C ATOM 1651 CD GLU A 106 -0.468 -11.514 6.570 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -0.328 -12.612 7.159 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -1.495 -10.812 6.721 1.00 0.00 O ATOM 0 H GLU A 106 2.105 -9.078 4.151 1.00 0.00 H new ATOM 0 HA GLU A 106 0.697 -8.423 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.702 -10.661 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.748 -10.588 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.172 -10.407 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.019 -11.924 5.068 1.00 0.00 H new ATOM 1660 N VAL A 107 3.923 -7.930 6.837 1.00 0.00 N ATOM 1661 CA VAL A 107 4.933 -7.294 7.670 1.00 0.00 C ATOM 1662 C VAL A 107 4.768 -5.773 7.542 1.00 0.00 C ATOM 1663 O VAL A 107 4.444 -5.074 8.502 1.00 0.00 O ATOM 1664 CB VAL A 107 6.333 -7.781 7.220 1.00 0.00 C ATOM 1665 CG1 VAL A 107 7.450 -7.110 8.037 1.00 0.00 C ATOM 1666 CG2 VAL A 107 6.453 -9.308 7.345 1.00 0.00 C ATOM 0 H VAL A 107 4.267 -8.169 5.907 1.00 0.00 H new ATOM 0 HA VAL A 107 4.819 -7.560 8.721 1.00 0.00 H new ATOM 0 HB VAL A 107 6.448 -7.499 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.419 -7.474 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.400 -6.029 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.323 -7.350 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.446 -9.623 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.299 -9.601 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.700 -9.785 6.718 1.00 0.00 H new ATOM 1676 N VAL A 108 4.978 -5.267 6.332 1.00 0.00 N ATOM 1677 CA VAL A 108 4.992 -3.889 5.874 1.00 0.00 C ATOM 1678 C VAL A 108 3.583 -3.249 5.853 1.00 0.00 C ATOM 1679 O VAL A 108 3.347 -2.349 5.053 1.00 0.00 O ATOM 1680 CB VAL A 108 5.805 -3.863 4.546 1.00 0.00 C ATOM 1681 CG1 VAL A 108 6.028 -2.478 3.920 1.00 0.00 C ATOM 1682 CG2 VAL A 108 7.223 -4.437 4.770 1.00 0.00 C ATOM 0 H VAL A 108 5.166 -5.898 5.553 1.00 0.00 H new ATOM 0 HA VAL A 108 5.499 -3.228 6.576 1.00 0.00 H new ATOM 0 HB VAL A 108 5.186 -4.452 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.605 -2.583 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.064 -2.022 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.573 -1.846 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.778 -4.412 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.744 -3.838 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.148 -5.467 5.119 1.00 0.00 H new ATOM 1692 N GLN A 109 2.614 -3.683 6.672 1.00 0.00 N ATOM 1693 CA GLN A 109 1.276 -3.078 6.662 1.00 0.00 C ATOM 1694 C GLN A 109 1.284 -1.568 6.941 1.00 0.00 C ATOM 1695 O GLN A 109 0.403 -0.876 6.425 1.00 0.00 O ATOM 1696 CB GLN A 109 0.347 -3.741 7.691 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.326 -5.056 7.276 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.576 -4.761 6.449 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -1.524 -4.105 5.410 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -2.748 -5.166 6.910 1.00 0.00 N ATOM 0 H GLN A 109 2.730 -4.443 7.343 1.00 0.00 H new ATOM 0 HA GLN A 109 0.908 -3.243 5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.923 -3.927 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.435 -3.027 7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.369 -5.664 6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.593 -5.633 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.797 -5.710 7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.603 -4.934 6.404 1.00 0.00 H new ATOM 1709 N ASN A 110 2.272 -1.033 7.667 1.00 0.00 N ATOM 1710 CA ASN A 110 2.399 0.406 7.900 1.00 0.00 C ATOM 1711 C ASN A 110 3.287 0.932 6.783 1.00 0.00 C ATOM 1712 O ASN A 110 4.496 1.086 6.965 1.00 0.00 O ATOM 1713 CB ASN A 110 2.958 0.718 9.300 1.00 0.00 C ATOM 1714 CG ASN A 110 3.004 2.219 9.608 1.00 0.00 C ATOM 1715 OD1 ASN A 110 1.996 2.916 9.576 1.00 0.00 O ATOM 1716 ND2 ASN A 110 4.152 2.776 9.953 1.00 0.00 N ATOM 0 H ASN A 110 3.005 -1.588 8.109 1.00 0.00 H new ATOM 0 HA ASN A 110 1.426 0.898 7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.344 0.218 10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 110 3.963 0.305 9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 110 4.188 3.768 10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.002 2.214 9.986 1.00 0.00 H new ATOM 1723 N PHE A 111 2.709 1.137 5.603 1.00 0.00 N ATOM 1724 CA PHE A 111 3.414 1.681 4.455 1.00 0.00 C ATOM 1725 C PHE A 111 2.482 2.577 3.665 1.00 0.00 C ATOM 1726 O PHE A 111 1.260 2.524 3.843 1.00 0.00 O ATOM 1727 CB PHE A 111 4.009 0.572 3.572 1.00 0.00 C ATOM 1728 CG PHE A 111 3.069 -0.120 2.589 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.859 -0.708 3.008 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.423 -0.189 1.227 1.00 0.00 C ATOM 1731 CE1 PHE A 111 1.014 -1.340 2.080 1.00 0.00 C ATOM 1732 CE2 PHE A 111 2.567 -0.803 0.295 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.354 -1.368 0.718 1.00 0.00 C ATOM 0 H PHE A 111 1.728 0.927 5.419 1.00 0.00 H new ATOM 0 HA PHE A 111 4.254 2.275 4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.835 1.000 3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.433 -0.190 4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.579 -0.673 4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.360 0.233 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.099 -1.806 2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.844 -0.840 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.686 -1.821 0.000 1.00 0.00 H new ATOM 1743 N ALA A 112 3.056 3.385 2.771 1.00 0.00 N ATOM 1744 CA ALA A 112 2.256 4.234 1.918 1.00 0.00 C ATOM 1745 C ALA A 112 1.849 3.450 0.675 1.00 0.00 C ATOM 1746 O ALA A 112 0.666 3.151 0.524 1.00 0.00 O ATOM 1747 CB ALA A 112 3.032 5.519 1.605 1.00 0.00 C ATOM 0 H ALA A 112 4.063 3.462 2.627 1.00 0.00 H new ATOM 0 HA ALA A 112 1.336 4.540 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.430 6.160 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.256 6.044 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.963 5.267 1.097 1.00 0.00 H new ATOM 1753 N LYS A 113 2.802 3.087 -0.185 1.00 0.00 N ATOM 1754 CA LYS A 113 2.604 2.411 -1.468 1.00 0.00 C ATOM 1755 C LYS A 113 3.849 1.615 -1.809 1.00 0.00 C ATOM 1756 O LYS A 113 4.844 1.675 -1.083 1.00 0.00 O ATOM 1757 CB LYS A 113 2.299 3.434 -2.587 1.00 0.00 C ATOM 1758 CG LYS A 113 0.833 3.885 -2.631 1.00 0.00 C ATOM 1759 CD LYS A 113 0.566 5.203 -1.891 1.00 0.00 C ATOM 1760 CE LYS A 113 -0.913 5.400 -1.538 1.00 0.00 C ATOM 1761 NZ LYS A 113 -1.482 4.321 -0.696 1.00 0.00 N ATOM 0 H LYS A 113 3.788 3.267 0.006 1.00 0.00 H new ATOM 0 HA LYS A 113 1.750 1.738 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 113 2.935 4.309 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.564 2.996 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.528 3.996 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.209 3.103 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 113 1.159 5.227 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.901 6.036 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.028 6.351 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.490 5.469 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.282 4.695 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.812 3.544 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.752 3.966 -0.046 1.00 0.00 H new ATOM 1775 N GLU A 114 3.789 0.872 -2.908 1.00 0.00 N ATOM 1776 CA GLU A 114 4.926 0.123 -3.413 1.00 0.00 C ATOM 1777 C GLU A 114 5.362 0.658 -4.772 1.00 0.00 C ATOM 1778 O GLU A 114 4.616 1.402 -5.417 1.00 0.00 O ATOM 1779 CB GLU A 114 4.687 -1.392 -3.330 1.00 0.00 C ATOM 1780 CG GLU A 114 3.756 -2.062 -4.349 1.00 0.00 C ATOM 1781 CD GLU A 114 2.306 -1.587 -4.305 1.00 0.00 C ATOM 1782 OE1 GLU A 114 1.679 -1.599 -3.223 1.00 0.00 O ATOM 1783 OE2 GLU A 114 1.775 -1.220 -5.382 1.00 0.00 O ATOM 0 H GLU A 114 2.946 0.774 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 114 5.789 0.281 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.658 -1.881 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.295 -1.608 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.150 -1.886 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.775 -3.139 -4.183 1.00 0.00 H new ATOM 1790 N PHE A 115 6.563 0.294 -5.211 1.00 0.00 N ATOM 1791 CA PHE A 115 7.142 0.800 -6.443 1.00 0.00 C ATOM 1792 C PHE A 115 7.814 -0.444 -7.034 1.00 0.00 C ATOM 1793 O PHE A 115 8.373 -1.258 -6.290 1.00 0.00 O ATOM 1794 CB PHE A 115 8.184 1.873 -6.063 1.00 0.00 C ATOM 1795 CG PHE A 115 8.567 2.920 -7.097 1.00 0.00 C ATOM 1796 CD1 PHE A 115 8.896 2.623 -8.433 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.536 4.269 -6.684 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.240 3.660 -9.319 1.00 0.00 C ATOM 1799 CE2 PHE A 115 8.845 5.305 -7.575 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.220 5.000 -8.890 1.00 0.00 C ATOM 0 H PHE A 115 7.163 -0.365 -4.715 1.00 0.00 H new ATOM 0 HA PHE A 115 6.439 1.257 -7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 115 7.811 2.398 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.096 1.356 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 115 8.884 1.600 -8.778 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.270 4.507 -5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.521 3.426 -10.335 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.794 6.334 -7.250 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.493 5.791 -9.573 1.00 0.00 H new ATOM 1810 N VAL A 116 7.773 -0.617 -8.347 1.00 0.00 N ATOM 1811 CA VAL A 116 8.429 -1.721 -9.034 1.00 0.00 C ATOM 1812 C VAL A 116 9.345 -1.097 -10.079 1.00 0.00 C ATOM 1813 O VAL A 116 8.904 -0.229 -10.839 1.00 0.00 O ATOM 1814 CB VAL A 116 7.394 -2.701 -9.618 1.00 0.00 C ATOM 1815 CG1 VAL A 116 8.103 -3.953 -10.160 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.343 -3.138 -8.580 1.00 0.00 C ATOM 0 H VAL A 116 7.276 0.015 -8.975 1.00 0.00 H new ATOM 0 HA VAL A 116 9.026 -2.330 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 116 6.878 -2.173 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.364 -4.641 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.804 -3.664 -10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.644 -4.443 -9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.638 -3.828 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.840 -3.633 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.806 -2.262 -8.215 1.00 0.00 H new ATOM 1826 N ILE A 117 10.611 -1.504 -10.079 1.00 0.00 N ATOM 1827 CA ILE A 117 11.674 -0.991 -10.930 1.00 0.00 C ATOM 1828 C ILE A 117 12.328 -2.201 -11.598 1.00 0.00 C ATOM 1829 O ILE A 117 12.434 -3.272 -10.992 1.00 0.00 O ATOM 1830 CB ILE A 117 12.640 -0.153 -10.077 1.00 0.00 C ATOM 1831 CG1 ILE A 117 11.919 1.100 -9.527 1.00 0.00 C ATOM 1832 CG2 ILE A 117 13.838 0.307 -10.916 1.00 0.00 C ATOM 1833 CD1 ILE A 117 11.714 1.064 -8.007 1.00 0.00 C ATOM 0 H ILE A 117 10.938 -2.239 -9.452 1.00 0.00 H new ATOM 0 HA ILE A 117 11.312 -0.324 -11.713 1.00 0.00 H new ATOM 0 HB ILE A 117 12.986 -0.777 -9.253 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.497 1.987 -9.788 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.949 1.196 -10.015 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.511 0.899 -10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.370 -0.564 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.486 0.914 -11.750 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.203 1.972 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.111 0.196 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.682 0.999 -7.511 1.00 0.00 H new ATOM 1845 N SER A 118 12.762 -2.024 -12.845 1.00 0.00 N ATOM 1846 CA SER A 118 13.402 -3.052 -13.649 1.00 0.00 C ATOM 1847 C SER A 118 14.695 -2.586 -14.315 1.00 0.00 C ATOM 1848 O SER A 118 15.400 -3.418 -14.879 1.00 0.00 O ATOM 1849 CB SER A 118 12.389 -3.641 -14.637 1.00 0.00 C ATOM 1850 OG SER A 118 11.718 -2.706 -15.462 1.00 0.00 O ATOM 0 H SER A 118 12.673 -1.133 -13.334 1.00 0.00 H new ATOM 0 HA SER A 118 13.725 -3.849 -12.979 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.907 -4.356 -15.277 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.643 -4.201 -14.073 1.00 0.00 H new ATOM 0 HG SER A 118 11.098 -3.179 -16.055 1.00 0.00 H new ATOM 1856 N ASP A 119 15.047 -1.298 -14.238 1.00 0.00 N ATOM 1857 CA ASP A 119 16.310 -0.768 -14.757 1.00 0.00 C ATOM 1858 C ASP A 119 17.099 -0.227 -13.572 1.00 0.00 C ATOM 1859 O ASP A 119 16.559 0.496 -12.735 1.00 0.00 O ATOM 1860 CB ASP A 119 16.101 0.294 -15.841 1.00 0.00 C ATOM 1861 CG ASP A 119 17.400 1.059 -16.133 1.00 0.00 C ATOM 1862 OD1 ASP A 119 18.497 0.455 -16.107 1.00 0.00 O ATOM 1863 OD2 ASP A 119 17.328 2.274 -16.409 1.00 0.00 O ATOM 0 H ASP A 119 14.455 -0.587 -13.808 1.00 0.00 H new ATOM 0 HA ASP A 119 16.868 -1.565 -15.250 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.744 -0.182 -16.754 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.328 0.994 -15.523 1.00 0.00 H new ATOM 1868 N ARG A 120 18.366 -0.623 -13.462 1.00 0.00 N ATOM 1869 CA ARG A 120 19.204 -0.247 -12.335 1.00 0.00 C ATOM 1870 C ARG A 120 19.620 1.223 -12.397 1.00 0.00 C ATOM 1871 O ARG A 120 19.851 1.812 -11.348 1.00 0.00 O ATOM 1872 CB ARG A 120 20.411 -1.191 -12.271 1.00 0.00 C ATOM 1873 CG ARG A 120 21.079 -1.136 -10.891 1.00 0.00 C ATOM 1874 CD ARG A 120 22.195 -2.175 -10.734 1.00 0.00 C ATOM 1875 NE ARG A 120 23.437 -1.741 -11.388 1.00 0.00 N ATOM 1876 CZ ARG A 120 23.806 -1.946 -12.654 1.00 0.00 C ATOM 1877 NH1 ARG A 120 23.120 -2.779 -13.430 1.00 0.00 N ATOM 1878 NH2 ARG A 120 24.859 -1.290 -13.130 1.00 0.00 N ATOM 0 H ARG A 120 18.835 -1.211 -14.151 1.00 0.00 H new ATOM 0 HA ARG A 120 18.630 -0.351 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 120 20.091 -2.211 -12.484 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.133 -0.916 -13.040 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.490 -0.139 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 120 20.326 -1.298 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 120 22.383 -2.350 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 120 21.871 -3.124 -11.161 1.00 0.00 H new ATOM 0 HE ARG A 120 24.095 -1.222 -10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 120 22.305 -3.267 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 120 23.409 -2.930 -14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 120 25.370 -0.643 -12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 120 25.156 -1.434 -14.095 1.00 0.00 H new ATOM 1892 N LYS A 121 19.729 1.827 -13.585 1.00 0.00 N ATOM 1893 CA LYS A 121 20.037 3.244 -13.704 1.00 0.00 C ATOM 1894 C LYS A 121 18.841 4.053 -13.226 1.00 0.00 C ATOM 1895 O LYS A 121 19.006 5.008 -12.470 1.00 0.00 O ATOM 1896 CB LYS A 121 20.385 3.616 -15.147 1.00 0.00 C ATOM 1897 CG LYS A 121 21.665 2.934 -15.648 1.00 0.00 C ATOM 1898 CD LYS A 121 21.792 3.057 -17.168 1.00 0.00 C ATOM 1899 CE LYS A 121 20.810 2.117 -17.879 1.00 0.00 C ATOM 1900 NZ LYS A 121 20.968 2.175 -19.344 1.00 0.00 N ATOM 0 H LYS A 121 19.607 1.349 -14.478 1.00 0.00 H new ATOM 0 HA LYS A 121 20.907 3.469 -13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 121 19.555 3.342 -15.798 1.00 0.00 H new ATOM 0 HB3 LYS A 121 20.503 4.697 -15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 121 22.534 3.386 -15.169 1.00 0.00 H new ATOM 0 HG3 LYS A 121 21.656 1.882 -15.364 1.00 0.00 H new ATOM 0 HD2 LYS A 121 21.600 4.086 -17.471 1.00 0.00 H new ATOM 0 HD3 LYS A 121 22.812 2.821 -17.472 1.00 0.00 H new ATOM 0 HE2 LYS A 121 20.970 1.095 -17.535 1.00 0.00 H new ATOM 0 HE3 LYS A 121 19.788 2.387 -17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.289 1.527 -19.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.791 3.145 -19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 21.936 1.893 -19.600 1.00 0.00 H new ATOM 1914 N GLU A 122 17.650 3.659 -13.677 1.00 0.00 N ATOM 1915 CA GLU A 122 16.385 4.246 -13.275 1.00 0.00 C ATOM 1916 C GLU A 122 16.263 4.242 -11.752 1.00 0.00 C ATOM 1917 O GLU A 122 15.962 5.285 -11.194 1.00 0.00 O ATOM 1918 CB GLU A 122 15.235 3.477 -13.955 1.00 0.00 C ATOM 1919 CG GLU A 122 13.854 3.746 -13.347 1.00 0.00 C ATOM 1920 CD GLU A 122 12.722 3.079 -14.129 1.00 0.00 C ATOM 1921 OE1 GLU A 122 12.439 3.521 -15.267 1.00 0.00 O ATOM 1922 OE2 GLU A 122 12.103 2.122 -13.607 1.00 0.00 O ATOM 0 H GLU A 122 17.543 2.901 -14.351 1.00 0.00 H new ATOM 0 HA GLU A 122 16.332 5.287 -13.595 1.00 0.00 H new ATOM 0 HB2 GLU A 122 15.212 3.741 -15.012 1.00 0.00 H new ATOM 0 HB3 GLU A 122 15.443 2.409 -13.897 1.00 0.00 H new ATOM 0 HG2 GLU A 122 13.839 3.387 -12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 122 13.681 4.822 -13.312 1.00 0.00 H new ATOM 1929 N LEU A 123 16.557 3.114 -11.094 1.00 0.00 N ATOM 1930 CA LEU A 123 16.434 2.835 -9.654 1.00 0.00 C ATOM 1931 C LEU A 123 16.919 3.923 -8.698 1.00 0.00 C ATOM 1932 O LEU A 123 16.509 3.923 -7.535 1.00 0.00 O ATOM 1933 CB LEU A 123 17.107 1.482 -9.372 1.00 0.00 C ATOM 1934 CG LEU A 123 16.954 0.822 -7.999 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.036 1.248 -7.015 1.00 0.00 C ATOM 1936 CD2 LEU A 123 15.529 0.887 -7.431 1.00 0.00 C ATOM 0 H LEU A 123 16.918 2.303 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 123 15.366 2.807 -9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.737 0.775 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.174 1.607 -9.555 1.00 0.00 H new ATOM 0 HG LEU A 123 17.121 -0.242 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 123 17.876 0.748 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.015 0.973 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 123 17.993 2.328 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 123 15.503 0.398 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.228 1.929 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.843 0.380 -8.110 1.00 0.00 H new ATOM 1948 N GLU A 124 17.825 4.787 -9.135 1.00 0.00 N ATOM 1949 CA GLU A 124 18.308 5.922 -8.364 1.00 0.00 C ATOM 1950 C GLU A 124 17.143 6.652 -7.691 1.00 0.00 C ATOM 1951 O GLU A 124 16.064 6.802 -8.273 1.00 0.00 O ATOM 1952 CB GLU A 124 19.051 6.864 -9.322 1.00 0.00 C ATOM 1953 CG GLU A 124 20.464 6.330 -9.618 1.00 0.00 C ATOM 1954 CD GLU A 124 21.467 6.575 -8.485 1.00 0.00 C ATOM 1955 OE1 GLU A 124 21.068 6.876 -7.337 1.00 0.00 O ATOM 1956 OE2 GLU A 124 22.688 6.506 -8.771 1.00 0.00 O ATOM 0 H GLU A 124 18.254 4.715 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 124 18.980 5.580 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.491 6.962 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 124 19.117 7.860 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.404 5.259 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 124 20.837 6.799 -10.528 1.00 0.00 H new ATOM 1963 N GLU A 125 17.356 7.154 -6.466 1.00 0.00 N ATOM 1964 CA GLU A 125 16.274 7.829 -5.750 1.00 0.00 C ATOM 1965 C GLU A 125 15.778 9.043 -6.527 1.00 0.00 C ATOM 1966 O GLU A 125 14.653 9.478 -6.311 1.00 0.00 O ATOM 1967 CB GLU A 125 16.671 8.320 -4.348 1.00 0.00 C ATOM 1968 CG GLU A 125 17.112 7.223 -3.382 1.00 0.00 C ATOM 1969 CD GLU A 125 16.808 7.585 -1.926 1.00 0.00 C ATOM 1970 OE1 GLU A 125 17.255 8.651 -1.450 1.00 0.00 O ATOM 1971 OE2 GLU A 125 16.041 6.843 -1.266 1.00 0.00 O ATOM 0 H GLU A 125 18.243 7.106 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 125 15.496 7.072 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.481 9.042 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 125 15.824 8.849 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.607 6.291 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 125 18.182 7.048 -3.496 1.00 0.00 H new ATOM 1978 N ASP A 126 16.593 9.578 -7.436 1.00 0.00 N ATOM 1979 CA ASP A 126 16.322 10.774 -8.201 1.00 0.00 C ATOM 1980 C ASP A 126 14.914 10.783 -8.780 1.00 0.00 C ATOM 1981 O ASP A 126 14.148 11.687 -8.423 1.00 0.00 O ATOM 1982 CB ASP A 126 17.388 10.977 -9.277 1.00 0.00 C ATOM 1983 CG ASP A 126 17.069 12.233 -10.080 1.00 0.00 C ATOM 1984 OD1 ASP A 126 17.076 13.338 -9.492 1.00 0.00 O ATOM 1985 OD2 ASP A 126 16.786 12.123 -11.294 1.00 0.00 O ATOM 0 H ASP A 126 17.497 9.164 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 126 16.371 11.622 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 126 18.372 11.067 -8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 126 17.423 10.110 -9.937 1.00 0.00 H new ATOM 1990 N PHE A 127 14.541 9.794 -9.612 1.00 0.00 N ATOM 1991 CA PHE A 127 13.196 9.915 -10.192 1.00 0.00 C ATOM 1992 C PHE A 127 12.161 9.422 -9.176 1.00 0.00 C ATOM 1993 O PHE A 127 11.041 9.928 -9.173 1.00 0.00 O ATOM 1994 CB PHE A 127 12.965 9.134 -11.495 1.00 0.00 C ATOM 1995 CG PHE A 127 12.648 7.654 -11.366 1.00 0.00 C ATOM 1996 CD1 PHE A 127 13.502 6.762 -10.698 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.415 7.185 -11.861 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.125 5.417 -10.539 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.052 5.836 -11.722 1.00 0.00 C ATOM 2000 CZ PHE A 127 11.910 4.949 -11.057 1.00 0.00 C ATOM 0 H PHE A 127 15.091 8.977 -9.878 1.00 0.00 H new ATOM 0 HA PHE A 127 13.093 10.972 -10.435 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.146 9.610 -12.034 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.856 9.237 -12.114 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.447 7.109 -10.307 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.741 7.871 -12.353 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.779 4.737 -10.012 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.115 5.483 -12.126 1.00 0.00 H new ATOM 0 HZ PHE A 127 11.636 3.910 -10.945 1.00 0.00 H new ATOM 2010 N ILE A 128 12.542 8.521 -8.258 1.00 0.00 N ATOM 2011 CA ILE A 128 11.649 7.957 -7.243 1.00 0.00 C ATOM 2012 C ILE A 128 11.082 9.107 -6.429 1.00 0.00 C ATOM 2013 O ILE A 128 9.888 9.146 -6.153 1.00 0.00 O ATOM 2014 CB ILE A 128 12.373 6.927 -6.338 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.568 5.616 -7.116 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.630 6.651 -5.014 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.316 4.546 -6.322 1.00 0.00 C ATOM 0 H ILE A 128 13.494 8.160 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 128 10.843 7.409 -7.732 1.00 0.00 H new ATOM 0 HB ILE A 128 13.336 7.358 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.593 5.226 -7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.115 5.825 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.190 5.922 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.538 7.578 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.637 6.258 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.419 3.647 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.305 4.917 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.759 4.309 -5.416 1.00 0.00 H new ATOM 2029 N LYS A 129 11.926 10.060 -6.051 1.00 0.00 N ATOM 2030 CA LYS A 129 11.552 11.166 -5.200 1.00 0.00 C ATOM 2031 C LYS A 129 10.452 12.008 -5.826 1.00 0.00 C ATOM 2032 O LYS A 129 9.482 12.329 -5.139 1.00 0.00 O ATOM 2033 CB LYS A 129 12.826 11.989 -4.934 1.00 0.00 C ATOM 2034 CG LYS A 129 13.883 11.244 -4.098 1.00 0.00 C ATOM 2035 CD LYS A 129 14.160 11.790 -2.702 1.00 0.00 C ATOM 2036 CE LYS A 129 15.097 13.002 -2.736 1.00 0.00 C ATOM 2037 NZ LYS A 129 15.617 13.319 -1.393 1.00 0.00 N ATOM 0 H LYS A 129 12.905 10.079 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 129 11.140 10.799 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.267 12.277 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.552 12.910 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.570 10.205 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.820 11.244 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.219 12.072 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.603 11.006 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.929 12.802 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.563 13.865 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.248 14.144 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.824 13.534 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.147 12.503 -1.024 1.00 0.00 H new ATOM 2051 N SER A 130 10.605 12.423 -7.079 1.00 0.00 N ATOM 2052 CA SER A 130 9.597 13.236 -7.753 1.00 0.00 C ATOM 2053 C SER A 130 8.387 12.389 -8.178 1.00 0.00 C ATOM 2054 O SER A 130 7.258 12.883 -8.198 1.00 0.00 O ATOM 2055 CB SER A 130 10.230 13.964 -8.939 1.00 0.00 C ATOM 2056 OG SER A 130 9.461 15.087 -9.315 1.00 0.00 O ATOM 0 H SER A 130 11.422 12.209 -7.651 1.00 0.00 H new ATOM 0 HA SER A 130 9.222 13.984 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 130 11.240 14.281 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.319 13.281 -9.784 1.00 0.00 H new ATOM 0 HG SER A 130 9.888 15.536 -10.074 1.00 0.00 H new ATOM 2062 N GLU A 131 8.582 11.110 -8.489 1.00 0.00 N ATOM 2063 CA GLU A 131 7.504 10.195 -8.830 1.00 0.00 C ATOM 2064 C GLU A 131 6.606 10.005 -7.602 1.00 0.00 C ATOM 2065 O GLU A 131 5.386 10.157 -7.684 1.00 0.00 O ATOM 2066 CB GLU A 131 8.123 8.890 -9.368 1.00 0.00 C ATOM 2067 CG GLU A 131 7.114 7.831 -9.822 1.00 0.00 C ATOM 2068 CD GLU A 131 6.024 8.415 -10.721 1.00 0.00 C ATOM 2069 OE1 GLU A 131 6.364 9.140 -11.690 1.00 0.00 O ATOM 2070 OE2 GLU A 131 4.831 8.195 -10.415 1.00 0.00 O ATOM 0 H GLU A 131 9.506 10.678 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 131 6.863 10.588 -9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.773 9.134 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.754 8.458 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.638 7.039 -10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.653 7.373 -8.947 1.00 0.00 H new ATOM 2077 N LEU A 132 7.208 9.773 -6.431 1.00 0.00 N ATOM 2078 CA LEU A 132 6.504 9.644 -5.163 1.00 0.00 C ATOM 2079 C LEU A 132 5.836 10.956 -4.753 1.00 0.00 C ATOM 2080 O LEU A 132 4.860 10.905 -4.003 1.00 0.00 O ATOM 2081 CB LEU A 132 7.454 9.140 -4.066 1.00 0.00 C ATOM 2082 CG LEU A 132 7.825 7.648 -4.179 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.838 7.303 -3.087 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.611 6.720 -4.035 1.00 0.00 C ATOM 0 H LEU A 132 8.219 9.668 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 132 5.712 8.907 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.369 9.732 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.992 9.314 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 132 8.242 7.493 -5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.106 6.249 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.732 7.914 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.399 7.499 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 132 6.934 5.683 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.148 6.875 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.888 6.943 -4.819 1.00 0.00 H new ATOM 2096 N LYS A 133 6.341 12.116 -5.197 1.00 0.00 N ATOM 2097 CA LYS A 133 5.706 13.410 -4.942 1.00 0.00 C ATOM 2098 C LYS A 133 4.350 13.397 -5.632 1.00 0.00 C ATOM 2099 O LYS A 133 3.337 13.457 -4.934 1.00 0.00 O ATOM 2100 CB LYS A 133 6.595 14.593 -5.385 1.00 0.00 C ATOM 2101 CG LYS A 133 7.673 14.961 -4.359 1.00 0.00 C ATOM 2102 CD LYS A 133 7.114 15.808 -3.204 1.00 0.00 C ATOM 2103 CE LYS A 133 8.205 16.290 -2.233 1.00 0.00 C ATOM 2104 NZ LYS A 133 8.974 15.179 -1.637 1.00 0.00 N ATOM 0 H LYS A 133 7.201 12.180 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 133 5.568 13.558 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.075 14.343 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.965 15.463 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 133 8.115 14.049 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.472 15.511 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 133 6.592 16.672 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.378 15.222 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 133 8.887 16.955 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 133 7.744 16.874 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 9.600 15.550 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 8.318 14.485 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 9.546 14.718 -2.373 1.00 0.00 H new ATOM 2118 N LYS A 134 4.327 13.231 -6.959 1.00 0.00 N ATOM 2119 CA LYS A 134 3.087 13.169 -7.735 1.00 0.00 C ATOM 2120 C LYS A 134 2.157 12.107 -7.168 1.00 0.00 C ATOM 2121 O LYS A 134 1.039 12.424 -6.765 1.00 0.00 O ATOM 2122 CB LYS A 134 3.372 12.875 -9.212 1.00 0.00 C ATOM 2123 CG LYS A 134 4.119 14.017 -9.914 1.00 0.00 C ATOM 2124 CD LYS A 134 4.389 13.691 -11.388 1.00 0.00 C ATOM 2125 CE LYS A 134 5.293 12.457 -11.541 1.00 0.00 C ATOM 2126 NZ LYS A 134 4.591 11.277 -12.096 1.00 0.00 N ATOM 0 H LYS A 134 5.170 13.136 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 134 2.603 14.143 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.961 11.961 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.430 12.691 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.533 14.933 -9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.063 14.204 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.443 13.515 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 134 4.859 14.548 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.132 12.709 -12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.709 12.198 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.189 10.433 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 3.695 11.135 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.395 11.433 -13.105 1.00 0.00 H new ATOM 2140 N ALA A 135 2.621 10.857 -7.089 1.00 0.00 N ATOM 2141 CA ALA A 135 1.802 9.739 -6.639 1.00 0.00 C ATOM 2142 C ALA A 135 1.303 9.919 -5.199 1.00 0.00 C ATOM 2143 O ALA A 135 0.270 9.345 -4.841 1.00 0.00 O ATOM 2144 CB ALA A 135 2.594 8.436 -6.784 1.00 0.00 C ATOM 0 H ALA A 135 3.576 10.596 -7.336 1.00 0.00 H new ATOM 0 HA ALA A 135 0.914 9.699 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.982 7.599 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.866 8.290 -7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.499 8.491 -6.178 1.00 0.00 H new ATOM 2150 N GLY A 136 2.004 10.705 -4.376 1.00 0.00 N ATOM 2151 CA GLY A 136 1.649 11.029 -3.003 1.00 0.00 C ATOM 2152 C GLY A 136 0.715 12.234 -2.878 1.00 0.00 C ATOM 2153 O GLY A 136 0.316 12.549 -1.754 1.00 0.00 O ATOM 0 H GLY A 136 2.874 11.150 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 136 1.172 10.162 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 136 2.560 11.226 -2.438 1.00 0.00 H new ATOM 2157 N GLY A 137 0.368 12.898 -3.985 1.00 0.00 N ATOM 2158 CA GLY A 137 -0.574 14.009 -4.048 1.00 0.00 C ATOM 2159 C GLY A 137 0.076 15.374 -4.273 1.00 0.00 C ATOM 2160 O GLY A 137 -0.651 16.350 -4.424 1.00 0.00 O ATOM 0 H GLY A 137 0.755 12.662 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.285 13.822 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.144 14.040 -3.119 1.00 0.00 H new ATOM 2164 N ALA A 138 1.408 15.479 -4.284 1.00 0.00 N ATOM 2165 CA ALA A 138 2.094 16.732 -4.574 1.00 0.00 C ATOM 2166 C ALA A 138 2.228 16.858 -6.093 1.00 0.00 C ATOM 2167 O ALA A 138 3.238 16.446 -6.667 1.00 0.00 O ATOM 2168 CB ALA A 138 3.446 16.788 -3.850 1.00 0.00 C ATOM 0 H ALA A 138 2.035 14.698 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 138 1.522 17.583 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.943 17.731 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.286 16.714 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.071 15.959 -4.182 1.00 0.00 H new ATOM 2174 N ASN A 139 1.194 17.397 -6.738 1.00 0.00 N ATOM 2175 CA ASN A 139 1.126 17.682 -8.168 1.00 0.00 C ATOM 2176 C ASN A 139 0.317 18.971 -8.294 1.00 0.00 C ATOM 2177 O ASN A 139 -0.894 18.937 -8.081 1.00 0.00 O ATOM 2178 CB ASN A 139 0.454 16.514 -8.907 1.00 0.00 C ATOM 2179 CG ASN A 139 0.380 16.777 -10.405 1.00 0.00 C ATOM 2180 OD1 ASN A 139 1.128 16.178 -11.166 1.00 0.00 O ATOM 2181 ND2 ASN A 139 -0.508 17.653 -10.852 1.00 0.00 N ATOM 0 H ASN A 139 0.337 17.660 -6.250 1.00 0.00 H new ATOM 0 HA ASN A 139 2.113 17.801 -8.614 1.00 0.00 H new ATOM 0 HB2 ASN A 139 1.012 15.596 -8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -0.550 16.361 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -0.580 17.841 -11.852 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -1.120 18.139 -10.196 1.00 0.00 H new ATOM 2188 N TYR A 140 0.963 20.087 -8.620 1.00 0.00 N ATOM 2189 CA TYR A 140 0.387 21.408 -8.696 1.00 0.00 C ATOM 2190 C TYR A 140 1.063 22.080 -9.880 1.00 0.00 C ATOM 2191 O TYR A 140 2.289 22.179 -9.912 1.00 0.00 O ATOM 2192 CB TYR A 140 0.650 22.196 -7.404 1.00 0.00 C ATOM 2193 CG TYR A 140 0.078 21.566 -6.147 1.00 0.00 C ATOM 2194 CD1 TYR A 140 -1.291 21.704 -5.854 1.00 0.00 C ATOM 2195 CD2 TYR A 140 0.915 20.849 -5.270 1.00 0.00 C ATOM 2196 CE1 TYR A 140 -1.830 21.130 -4.689 1.00 0.00 C ATOM 2197 CE2 TYR A 140 0.386 20.274 -4.100 1.00 0.00 C ATOM 2198 CZ TYR A 140 -0.989 20.412 -3.807 1.00 0.00 C ATOM 2199 OH TYR A 140 -1.493 19.867 -2.666 1.00 0.00 O ATOM 0 H TYR A 140 1.957 20.084 -8.849 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.695 21.366 -8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 140 1.727 22.311 -7.278 1.00 0.00 H new ATOM 0 HB3 TYR A 140 0.233 23.197 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.932 22.254 -6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 140 1.965 20.740 -5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -2.882 21.237 -4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 140 1.030 19.728 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 140 -0.777 19.408 -2.179 1.00 0.00 H new ATOM 2209 N ASP A 141 0.261 22.393 -10.881 1.00 0.00 N ATOM 2210 CA ASP A 141 0.609 23.122 -12.096 1.00 0.00 C ATOM 2211 C ASP A 141 -0.223 24.399 -12.031 1.00 0.00 C ATOM 2212 O ASP A 141 -1.449 24.321 -11.913 1.00 0.00 O ATOM 2213 CB ASP A 141 0.296 22.294 -13.351 1.00 0.00 C ATOM 2214 CG ASP A 141 0.571 23.047 -14.661 1.00 0.00 C ATOM 2215 OD1 ASP A 141 1.237 24.108 -14.631 1.00 0.00 O ATOM 2216 OD2 ASP A 141 0.150 22.524 -15.715 1.00 0.00 O ATOM 0 H ASP A 141 -0.724 22.127 -10.869 1.00 0.00 H new ATOM 0 HA ASP A 141 1.675 23.340 -12.159 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.891 21.381 -13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -0.751 21.992 -13.327 1.00 0.00 H new ATOM 2221 N ALA A 142 0.447 25.547 -11.965 1.00 0.00 N ATOM 2222 CA ALA A 142 -0.106 26.891 -11.894 1.00 0.00 C ATOM 2223 C ALA A 142 0.890 27.773 -12.642 1.00 0.00 C ATOM 2224 O ALA A 142 2.101 27.586 -12.494 1.00 0.00 O ATOM 2225 CB ALA A 142 -0.265 27.336 -10.437 1.00 0.00 C ATOM 0 H ALA A 142 1.467 25.559 -11.960 1.00 0.00 H new ATOM 0 HA ALA A 142 -1.101 26.950 -12.336 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -0.680 28.344 -10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -0.937 26.652 -9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 142 0.708 27.330 -9.946 1.00 0.00 H new ATOM 2231 N GLN A 143 0.400 28.679 -13.487 1.00 0.00 N ATOM 2232 CA GLN A 143 1.226 29.525 -14.334 1.00 0.00 C ATOM 2233 C GLN A 143 0.550 30.893 -14.448 1.00 0.00 C ATOM 2234 O GLN A 143 -0.663 30.946 -14.656 1.00 0.00 O ATOM 2235 CB GLN A 143 1.350 28.873 -15.731 1.00 0.00 C ATOM 2236 CG GLN A 143 2.095 27.523 -15.741 1.00 0.00 C ATOM 2237 CD GLN A 143 1.962 26.781 -17.071 1.00 0.00 C ATOM 2238 OE1 GLN A 143 2.195 27.335 -18.141 1.00 0.00 O ATOM 2239 NE2 GLN A 143 1.588 25.511 -17.037 1.00 0.00 N ATOM 0 H GLN A 143 -0.600 28.845 -13.601 1.00 0.00 H new ATOM 0 HA GLN A 143 2.223 29.642 -13.910 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.350 28.725 -16.139 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.867 29.564 -16.396 1.00 0.00 H new ATOM 0 HG2 GLN A 143 3.151 27.695 -15.530 1.00 0.00 H new ATOM 0 HG3 GLN A 143 1.708 26.894 -14.939 1.00 0.00 H new ATOM 0 HE21 GLN A 143 1.397 25.059 -16.143 1.00 0.00 H new ATOM 0 HE22 GLN A 143 1.491 24.984 -17.905 1.00 0.00 H new ATOM 2248 N THR A 144 1.347 31.965 -14.424 1.00 0.00 N ATOM 2249 CA THR A 144 0.966 33.381 -14.486 1.00 0.00 C ATOM 2250 C THR A 144 0.647 33.894 -13.070 1.00 0.00 C ATOM 2251 O THR A 144 -0.440 34.406 -12.803 1.00 0.00 O ATOM 2252 CB THR A 144 -0.151 33.676 -15.518 1.00 0.00 C ATOM 2253 OG1 THR A 144 0.024 32.904 -16.691 1.00 0.00 O ATOM 2254 CG2 THR A 144 -0.152 35.146 -15.958 1.00 0.00 C ATOM 0 H THR A 144 2.359 31.857 -14.355 1.00 0.00 H new ATOM 0 HA THR A 144 1.820 33.944 -14.864 1.00 0.00 H new ATOM 0 HB THR A 144 -1.088 33.429 -15.019 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.694 33.107 -17.326 1.00 0.00 H new ATOM 0 HG21 THR A 144 -0.951 35.309 -16.682 1.00 0.00 H new ATOM 0 HG22 THR A 144 -0.313 35.785 -15.090 1.00 0.00 H new ATOM 0 HG23 THR A 144 0.807 35.390 -16.415 1.00 0.00 H new ATOM 2262 N GLU A 145 1.616 33.737 -12.169 1.00 0.00 N ATOM 2263 CA GLU A 145 1.638 34.198 -10.790 1.00 0.00 C ATOM 2264 C GLU A 145 3.047 34.773 -10.613 1.00 0.00 C ATOM 2265 O GLU A 145 3.191 35.740 -9.835 1.00 0.00 O ATOM 2266 CB GLU A 145 1.341 33.051 -9.795 1.00 0.00 C ATOM 2267 CG GLU A 145 -0.097 32.503 -9.889 1.00 0.00 C ATOM 2268 CD GLU A 145 -0.444 31.506 -8.763 1.00 0.00 C ATOM 2269 OE1 GLU A 145 0.033 30.348 -8.826 1.00 0.00 O ATOM 2270 OE2 GLU A 145 -1.226 31.883 -7.855 1.00 0.00 O ATOM 2271 OXT GLU A 145 3.955 34.284 -11.335 1.00 0.00 O ATOM 0 H GLU A 145 2.475 33.242 -12.410 1.00 0.00 H new ATOM 0 HA GLU A 145 0.865 34.939 -10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.043 32.236 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.518 33.408 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.799 33.336 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -0.229 32.012 -10.853 1.00 0.00 H new TER 2278 GLU A 145