USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.84) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.0421 K(o=0.042,f=-3.2!) USER MOD Single : A 30 ASN : amide:sc=-0.00811 X(o=-0.0081,f=-0.017) USER MOD Single : A 31 MET CE :methyl -114:sc= -0.744 (180deg=-4.43!) USER MOD Single : A 34 TYR OH : rot -32:sc= 0.0163 USER MOD Single : A 36 GLN : amide:sc= -2.51 K(o=-2.5,f=-9.8!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 39 CYS SG : rot -10:sc= -2.13 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 42 GLN : amide:sc= -0.0375 K(o=-0.038,f=-0.71) USER MOD Single : A 44 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.26) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= -0.19 USER MOD Single : A 47 ASN : amide:sc= 0.41 K(o=0.41,f=-3.7!) USER MOD Single : A 52 MET CE :methyl -147:sc= -0.156 (180deg=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.99! K(o=-3!,f=-0.76) USER MOD Single : A 61 THR OG1 : rot -0:sc= 0.77 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= -0.0103 (180deg=-0.282) USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= -0.0349 (180deg=-0.944) USER MOD Single : A 80 LYS NZ :NH3+ -146:sc= 0.805 (180deg=-0.283) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 45:sc= 0.0401 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00671! C(o=-0.0067!,f=-7!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -141:sc= -0.015 (180deg=-0.205) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.402 20.689 -1.850 1.00 0.00 N ATOM 60 CA GLY A 7 -8.352 19.726 -1.567 1.00 0.00 C ATOM 61 C GLY A 7 -7.161 19.921 -2.507 1.00 0.00 C ATOM 62 O GLY A 7 -7.145 20.854 -3.309 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.025 19.833 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.743 18.714 -1.675 1.00 0.00 H new ATOM 66 N PRO A 8 -6.167 19.002 -2.375 1.00 0.00 N ATOM 67 CA PRO A 8 -4.975 19.064 -3.203 1.00 0.00 C ATOM 68 C PRO A 8 -5.272 18.589 -4.627 1.00 0.00 C ATOM 69 O PRO A 8 -6.432 18.444 -5.008 1.00 0.00 O ATOM 70 CB PRO A 8 -3.953 18.196 -2.487 1.00 0.00 C ATOM 71 CG PRO A 8 -4.748 17.311 -1.540 1.00 0.00 C ATOM 72 CD PRO A 8 -6.152 17.884 -1.436 1.00 0.00 C ATOM 0 HA PRO A 8 -4.599 20.080 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.384 17.596 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.236 18.808 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.780 16.287 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.275 17.280 -0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.904 17.139 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.370 18.216 -0.421 1.00 0.00 H new ATOM 80 N HIS A 9 -4.202 18.361 -5.375 1.00 0.00 N ATOM 81 CA HIS A 9 -4.333 17.905 -6.748 1.00 0.00 C ATOM 82 C HIS A 9 -2.944 17.687 -7.351 1.00 0.00 C ATOM 83 O HIS A 9 -2.099 18.580 -7.311 1.00 0.00 O ATOM 84 CB HIS A 9 -5.188 18.877 -7.564 1.00 0.00 C ATOM 85 CG HIS A 9 -4.821 20.329 -7.370 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.444 21.142 -6.439 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.889 21.104 -7.995 1.00 0.00 C ATOM 88 CE1 HIS A 9 -4.904 22.350 -6.511 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.941 22.324 -7.476 1.00 0.00 N ATOM 0 H HIS A 9 -3.241 18.484 -5.056 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.854 16.948 -6.769 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.095 18.627 -8.621 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.235 18.738 -7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.222 20.780 -8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.178 23.205 -5.911 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.357 23.113 -7.753 1.00 0.00 H new ATOM 97 N GLY A 10 -2.751 16.495 -7.896 1.00 0.00 N ATOM 98 CA GLY A 10 -1.478 16.148 -8.506 1.00 0.00 C ATOM 99 C GLY A 10 -1.363 14.637 -8.712 1.00 0.00 C ATOM 100 O GLY A 10 -2.368 13.953 -8.900 1.00 0.00 O ATOM 0 H GLY A 10 -3.455 15.757 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.379 16.658 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.661 16.496 -7.874 1.00 0.00 H new ATOM 104 N THR A 11 -0.128 14.159 -8.668 1.00 0.00 N ATOM 105 CA THR A 11 0.133 12.740 -8.847 1.00 0.00 C ATOM 106 C THR A 11 0.626 12.120 -7.539 1.00 0.00 C ATOM 107 O THR A 11 1.245 12.798 -6.720 1.00 0.00 O ATOM 108 CB THR A 11 1.121 12.583 -10.005 1.00 0.00 C ATOM 109 OG1 THR A 11 0.361 12.929 -11.160 1.00 0.00 O ATOM 110 CG2 THR A 11 1.518 11.125 -10.242 1.00 0.00 C ATOM 0 H THR A 11 0.703 14.729 -8.511 1.00 0.00 H new ATOM 0 HA THR A 11 -0.778 12.199 -9.103 1.00 0.00 H new ATOM 0 HB THR A 11 2.014 13.174 -9.802 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.926 12.856 -11.957 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.220 11.070 -11.074 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.988 10.725 -9.343 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.629 10.540 -10.478 1.00 0.00 H new ATOM 118 N LEU A 12 0.333 10.837 -7.382 1.00 0.00 N ATOM 119 CA LEU A 12 0.739 10.117 -6.187 1.00 0.00 C ATOM 120 C LEU A 12 1.779 9.060 -6.563 1.00 0.00 C ATOM 121 O LEU A 12 1.673 8.424 -7.610 1.00 0.00 O ATOM 122 CB LEU A 12 -0.483 9.547 -5.464 1.00 0.00 C ATOM 123 CG LEU A 12 -0.203 8.445 -4.441 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.264 7.162 -5.131 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.793 8.920 -3.381 1.00 0.00 C ATOM 0 H LEU A 12 -0.181 10.278 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 12 1.214 10.794 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.994 10.365 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.173 9.155 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.135 8.213 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.456 6.395 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.510 6.815 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.179 7.361 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.974 8.117 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.731 9.197 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.384 9.785 -2.859 1.00 0.00 H new ATOM 137 N GLU A 13 2.762 8.905 -5.687 1.00 0.00 N ATOM 138 CA GLU A 13 3.820 7.936 -5.913 1.00 0.00 C ATOM 139 C GLU A 13 3.921 6.973 -4.729 1.00 0.00 C ATOM 140 O GLU A 13 4.350 7.361 -3.643 1.00 0.00 O ATOM 141 CB GLU A 13 5.158 8.635 -6.167 1.00 0.00 C ATOM 142 CG GLU A 13 6.078 7.763 -7.023 1.00 0.00 C ATOM 143 CD GLU A 13 7.524 7.842 -6.529 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.177 8.860 -6.845 1.00 0.00 O ATOM 145 OE2 GLU A 13 7.944 6.882 -5.847 1.00 0.00 O ATOM 0 H GLU A 13 2.847 9.435 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 13 3.573 7.359 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.985 9.588 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.643 8.857 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.736 6.729 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.027 8.086 -8.063 1.00 0.00 H new ATOM 152 N VAL A 14 3.518 5.736 -4.977 1.00 0.00 N ATOM 153 CA VAL A 14 3.557 4.714 -3.945 1.00 0.00 C ATOM 154 C VAL A 14 4.812 3.858 -4.127 1.00 0.00 C ATOM 155 O VAL A 14 5.025 3.281 -5.193 1.00 0.00 O ATOM 156 CB VAL A 14 2.266 3.894 -3.970 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.422 2.600 -3.169 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.083 4.718 -3.457 1.00 0.00 C ATOM 0 H VAL A 14 3.162 5.418 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 14 3.616 5.172 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 14 2.061 3.623 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.490 2.036 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.225 2.001 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.663 2.840 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.178 4.112 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.277 5.033 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.951 5.597 -4.088 1.00 0.00 H new ATOM 168 N VAL A 15 5.611 3.803 -3.072 1.00 0.00 N ATOM 169 CA VAL A 15 6.839 3.028 -3.102 1.00 0.00 C ATOM 170 C VAL A 15 6.718 1.850 -2.133 1.00 0.00 C ATOM 171 O VAL A 15 7.045 1.977 -0.954 1.00 0.00 O ATOM 172 CB VAL A 15 8.036 3.931 -2.799 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.345 3.140 -2.842 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.083 5.120 -3.761 1.00 0.00 C ATOM 0 H VAL A 15 5.432 4.283 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 15 7.005 2.615 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 15 7.913 4.321 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.180 3.806 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.313 2.342 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.476 2.707 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.943 5.746 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.170 4.756 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.169 5.706 -3.660 1.00 0.00 H new ATOM 184 N LEU A 16 6.248 0.732 -2.665 1.00 0.00 N ATOM 185 CA LEU A 16 6.080 -0.467 -1.862 1.00 0.00 C ATOM 186 C LEU A 16 7.455 -1.010 -1.470 1.00 0.00 C ATOM 187 O LEU A 16 8.067 -1.763 -2.226 1.00 0.00 O ATOM 188 CB LEU A 16 5.202 -1.484 -2.594 1.00 0.00 C ATOM 189 CG LEU A 16 4.892 -2.774 -1.832 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.218 -2.471 -0.493 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.060 -3.730 -2.689 1.00 0.00 C ATOM 0 H LEU A 16 5.978 0.631 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 16 5.553 -0.235 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.259 -1.002 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.691 -1.748 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 16 5.834 -3.276 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.008 -3.405 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.880 -1.856 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.285 -1.936 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.853 -4.639 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.120 -3.250 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.613 -3.983 -3.594 1.00 0.00 H new ATOM 203 N VAL A 17 7.901 -0.607 -0.290 1.00 0.00 N ATOM 204 CA VAL A 17 9.193 -1.044 0.211 1.00 0.00 C ATOM 205 C VAL A 17 9.107 -2.518 0.613 1.00 0.00 C ATOM 206 O VAL A 17 9.410 -3.402 -0.188 1.00 0.00 O ATOM 207 CB VAL A 17 9.644 -0.138 1.358 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.917 -0.676 2.015 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.842 1.300 0.875 1.00 0.00 C ATOM 0 H VAL A 17 7.391 0.018 0.334 1.00 0.00 H new ATOM 0 HA VAL A 17 9.951 -0.962 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 17 8.856 -0.133 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.216 -0.013 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.728 -1.673 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.716 -0.725 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.163 1.923 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.602 1.320 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.902 1.683 0.476 1.00 0.00 H new ATOM 219 N SER A 18 8.694 -2.738 1.852 1.00 0.00 N ATOM 220 CA SER A 18 8.564 -4.090 2.369 1.00 0.00 C ATOM 221 C SER A 18 7.441 -4.148 3.406 1.00 0.00 C ATOM 222 O SER A 18 6.729 -3.166 3.612 1.00 0.00 O ATOM 223 CB SER A 18 9.880 -4.572 2.984 1.00 0.00 C ATOM 224 OG SER A 18 10.087 -4.037 4.289 1.00 0.00 O ATOM 0 H SER A 18 8.445 -2.003 2.514 1.00 0.00 H new ATOM 0 HA SER A 18 8.317 -4.752 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.879 -5.661 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.709 -4.283 2.338 1.00 0.00 H new ATOM 0 HG SER A 18 10.936 -4.369 4.648 1.00 0.00 H new ATOM 230 N ALA A 19 7.316 -5.309 4.031 1.00 0.00 N ATOM 231 CA ALA A 19 6.290 -5.509 5.042 1.00 0.00 C ATOM 232 C ALA A 19 6.768 -6.558 6.047 1.00 0.00 C ATOM 233 O ALA A 19 7.231 -7.629 5.658 1.00 0.00 O ATOM 234 CB ALA A 19 4.977 -5.905 4.365 1.00 0.00 C ATOM 0 H ALA A 19 7.908 -6.121 3.857 1.00 0.00 H new ATOM 0 HA ALA A 19 6.107 -4.586 5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.208 -6.055 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.666 -5.113 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.120 -6.829 3.806 1.00 0.00 H new ATOM 240 N LYS A 20 6.640 -6.214 7.320 1.00 0.00 N ATOM 241 CA LYS A 20 7.053 -7.113 8.384 1.00 0.00 C ATOM 242 C LYS A 20 5.818 -7.582 9.157 1.00 0.00 C ATOM 243 O LYS A 20 4.915 -6.793 9.430 1.00 0.00 O ATOM 244 CB LYS A 20 8.114 -6.450 9.264 1.00 0.00 C ATOM 245 CG LYS A 20 9.519 -6.907 8.866 1.00 0.00 C ATOM 246 CD LYS A 20 10.552 -5.814 9.148 1.00 0.00 C ATOM 247 CE LYS A 20 11.544 -5.685 7.991 1.00 0.00 C ATOM 248 NZ LYS A 20 12.876 -5.280 8.492 1.00 0.00 N ATOM 0 H LYS A 20 6.256 -5.324 7.639 1.00 0.00 H new ATOM 0 HA LYS A 20 7.527 -8.002 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.041 -5.366 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.930 -6.696 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.781 -7.811 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.535 -7.163 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.045 -4.862 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.089 -6.045 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.621 -6.635 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.180 -4.950 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.537 -5.197 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.801 -4.362 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.228 -5.995 9.160 1.00 0.00 H new ATOM 262 N GLY A 21 5.819 -8.865 9.488 1.00 0.00 N ATOM 263 CA GLY A 21 4.711 -9.448 10.225 1.00 0.00 C ATOM 264 C GLY A 21 4.878 -9.232 11.730 1.00 0.00 C ATOM 265 O GLY A 21 5.500 -8.259 12.156 1.00 0.00 O ATOM 0 H GLY A 21 6.569 -9.517 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.774 -9.002 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.650 -10.515 10.012 1.00 0.00 H new ATOM 269 N LEU A 22 4.312 -10.154 12.495 1.00 0.00 N ATOM 270 CA LEU A 22 4.391 -10.076 13.944 1.00 0.00 C ATOM 271 C LEU A 22 5.352 -11.150 14.457 1.00 0.00 C ATOM 272 O LEU A 22 5.711 -12.069 13.722 1.00 0.00 O ATOM 273 CB LEU A 22 2.993 -10.156 14.561 1.00 0.00 C ATOM 274 CG LEU A 22 2.126 -8.903 14.423 1.00 0.00 C ATOM 275 CD1 LEU A 22 0.661 -9.214 14.734 1.00 0.00 C ATOM 276 CD2 LEU A 22 2.667 -7.763 15.289 1.00 0.00 C ATOM 0 H LEU A 22 3.797 -10.959 12.139 1.00 0.00 H new ATOM 0 HA LEU A 22 4.796 -9.112 14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.463 -10.992 14.104 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.098 -10.386 15.621 1.00 0.00 H new ATOM 0 HG LEU A 22 2.171 -8.568 13.387 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.066 -8.307 14.629 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.295 -9.971 14.040 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.577 -9.586 15.755 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.032 -6.885 15.172 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.672 -8.071 16.335 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.683 -7.520 14.978 1.00 0.00 H new ATOM 288 N GLU A 23 5.743 -10.998 15.714 1.00 0.00 N ATOM 289 CA GLU A 23 6.656 -11.944 16.333 1.00 0.00 C ATOM 290 C GLU A 23 5.881 -13.134 16.902 1.00 0.00 C ATOM 291 O GLU A 23 6.458 -14.190 17.156 1.00 0.00 O ATOM 292 CB GLU A 23 7.494 -11.266 17.419 1.00 0.00 C ATOM 293 CG GLU A 23 6.618 -10.400 18.327 1.00 0.00 C ATOM 294 CD GLU A 23 7.304 -10.146 19.671 1.00 0.00 C ATOM 295 OE1 GLU A 23 8.462 -9.677 19.637 1.00 0.00 O ATOM 296 OE2 GLU A 23 6.655 -10.428 20.701 1.00 0.00 O ATOM 0 H GLU A 23 5.444 -10.234 16.320 1.00 0.00 H new ATOM 0 HA GLU A 23 7.340 -12.313 15.569 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.005 -12.023 18.015 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.265 -10.650 16.957 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.408 -9.450 17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.660 -10.893 18.491 1.00 0.00 H new ATOM 303 N ASP A 24 4.586 -12.924 17.084 1.00 0.00 N ATOM 304 CA ASP A 24 3.726 -13.967 17.618 1.00 0.00 C ATOM 305 C ASP A 24 2.523 -14.154 16.692 1.00 0.00 C ATOM 306 O ASP A 24 1.385 -14.227 17.155 1.00 0.00 O ATOM 307 CB ASP A 24 3.202 -13.592 19.006 1.00 0.00 C ATOM 308 CG ASP A 24 2.188 -14.571 19.600 1.00 0.00 C ATOM 309 OD1 ASP A 24 2.360 -15.785 19.355 1.00 0.00 O ATOM 310 OD2 ASP A 24 1.263 -14.084 20.286 1.00 0.00 O ATOM 0 H ASP A 24 4.111 -12.047 16.871 1.00 0.00 H new ATOM 0 HA ASP A 24 4.312 -14.883 17.690 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.049 -13.511 19.688 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.742 -12.605 18.950 1.00 0.00 H new ATOM 315 N ALA A 25 2.814 -14.225 15.402 1.00 0.00 N ATOM 316 CA ALA A 25 1.770 -14.401 14.407 1.00 0.00 C ATOM 317 C ALA A 25 2.396 -14.881 13.096 1.00 0.00 C ATOM 318 O ALA A 25 3.391 -14.322 12.638 1.00 0.00 O ATOM 319 CB ALA A 25 0.998 -13.091 14.239 1.00 0.00 C ATOM 0 H ALA A 25 3.759 -14.164 15.022 1.00 0.00 H new ATOM 0 HA ALA A 25 1.057 -15.160 14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.215 -13.223 13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.548 -12.809 15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.680 -12.306 13.914 1.00 0.00 H new ATOM 325 N ASP A 26 1.788 -15.913 12.530 1.00 0.00 N ATOM 326 CA ASP A 26 2.273 -16.474 11.280 1.00 0.00 C ATOM 327 C ASP A 26 1.684 -15.686 10.109 1.00 0.00 C ATOM 328 O ASP A 26 0.611 -16.021 9.608 1.00 0.00 O ATOM 329 CB ASP A 26 1.845 -17.935 11.130 1.00 0.00 C ATOM 330 CG ASP A 26 2.121 -18.819 12.348 1.00 0.00 C ATOM 331 OD1 ASP A 26 3.134 -18.546 13.029 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.314 -19.746 12.572 1.00 0.00 O ATOM 0 H ASP A 26 0.964 -16.376 12.914 1.00 0.00 H new ATOM 0 HA ASP A 26 3.361 -16.415 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.777 -17.964 10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.357 -18.361 10.267 1.00 0.00 H new ATOM 337 N PHE A 27 2.410 -14.654 9.706 1.00 0.00 N ATOM 338 CA PHE A 27 1.973 -13.815 8.603 1.00 0.00 C ATOM 339 C PHE A 27 3.093 -13.630 7.578 1.00 0.00 C ATOM 340 O PHE A 27 4.164 -13.123 7.908 1.00 0.00 O ATOM 341 CB PHE A 27 1.608 -12.452 9.195 1.00 0.00 C ATOM 342 CG PHE A 27 1.134 -11.431 8.159 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.436 -11.844 7.067 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.409 -10.111 8.330 1.00 0.00 C ATOM 345 CE1 PHE A 27 -0.004 -10.897 6.105 1.00 0.00 C ATOM 346 CE2 PHE A 27 0.969 -9.163 7.368 1.00 0.00 C ATOM 347 CZ PHE A 27 0.272 -9.576 6.276 1.00 0.00 C ATOM 0 H PHE A 27 3.299 -14.379 10.124 1.00 0.00 H new ATOM 0 HA PHE A 27 1.126 -14.278 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.824 -12.589 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.476 -12.049 9.716 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.216 -12.893 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.962 -9.783 9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.558 -11.225 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.188 -8.114 7.504 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.062 -8.855 5.544 1.00 0.00 H new ATOM 357 N LEU A 28 2.807 -14.050 6.354 1.00 0.00 N ATOM 358 CA LEU A 28 3.777 -13.937 5.278 1.00 0.00 C ATOM 359 C LEU A 28 4.926 -14.915 5.529 1.00 0.00 C ATOM 360 O LEU A 28 6.071 -14.637 5.173 1.00 0.00 O ATOM 361 CB LEU A 28 4.230 -12.484 5.116 1.00 0.00 C ATOM 362 CG LEU A 28 3.124 -11.464 4.838 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.636 -10.035 5.027 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.518 -11.677 3.449 1.00 0.00 C ATOM 0 H LEU A 28 1.917 -14.469 6.084 1.00 0.00 H new ATOM 0 HA LEU A 28 3.324 -14.214 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.754 -12.184 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.953 -12.438 4.301 1.00 0.00 H new ATOM 0 HG LEU A 28 2.326 -11.619 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.830 -9.330 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.981 -9.905 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.462 -9.851 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.735 -10.939 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.294 -11.565 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.093 -12.679 3.387 1.00 0.00 H new ATOM 376 N ASN A 29 4.582 -16.040 6.138 1.00 0.00 N ATOM 377 CA ASN A 29 5.571 -17.061 6.440 1.00 0.00 C ATOM 378 C ASN A 29 6.205 -17.552 5.137 1.00 0.00 C ATOM 379 O ASN A 29 6.377 -16.778 4.196 1.00 0.00 O ATOM 380 CB ASN A 29 4.928 -18.262 7.135 1.00 0.00 C ATOM 381 CG ASN A 29 5.915 -18.936 8.090 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.528 -19.944 7.780 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.034 -18.326 9.266 1.00 0.00 N ATOM 0 H ASN A 29 3.632 -16.267 6.431 1.00 0.00 H new ATOM 0 HA ASN A 29 6.319 -16.621 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.046 -17.938 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.590 -18.981 6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.668 -18.699 9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.491 -17.485 9.461 1.00 0.00 H new ATOM 390 N ASN A 30 6.535 -18.835 5.124 1.00 0.00 N ATOM 391 CA ASN A 30 7.146 -19.438 3.952 1.00 0.00 C ATOM 392 C ASN A 30 6.110 -19.524 2.829 1.00 0.00 C ATOM 393 O ASN A 30 5.601 -20.603 2.530 1.00 0.00 O ATOM 394 CB ASN A 30 7.634 -20.856 4.254 1.00 0.00 C ATOM 395 CG ASN A 30 9.123 -20.861 4.607 1.00 0.00 C ATOM 396 OD1 ASN A 30 9.979 -20.530 3.802 1.00 0.00 O ATOM 397 ND2 ASN A 30 9.383 -21.252 5.851 1.00 0.00 N ATOM 0 H ASN A 30 6.391 -19.473 5.906 1.00 0.00 H new ATOM 0 HA ASN A 30 7.994 -18.819 3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.059 -21.274 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.460 -21.496 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.347 -21.288 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.619 -21.516 6.473 1.00 0.00 H new ATOM 404 N MET A 31 5.829 -18.372 2.238 1.00 0.00 N ATOM 405 CA MET A 31 4.864 -18.303 1.154 1.00 0.00 C ATOM 406 C MET A 31 5.251 -17.222 0.143 1.00 0.00 C ATOM 407 O MET A 31 6.314 -16.615 0.254 1.00 0.00 O ATOM 408 CB MET A 31 3.477 -17.996 1.725 1.00 0.00 C ATOM 409 CG MET A 31 3.550 -16.887 2.776 1.00 0.00 C ATOM 410 SD MET A 31 1.993 -16.760 3.639 1.00 0.00 S ATOM 411 CE MET A 31 1.235 -15.433 2.717 1.00 0.00 C ATOM 0 H MET A 31 6.253 -17.479 2.489 1.00 0.00 H new ATOM 0 HA MET A 31 4.851 -19.265 0.641 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.807 -17.695 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.056 -18.897 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.351 -17.098 3.484 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.789 -15.937 2.298 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.119 -14.562 3.362 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.866 -15.174 1.867 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.256 -15.752 2.359 1.00 0.00 H new ATOM 421 N ASP A 32 4.365 -17.015 -0.821 1.00 0.00 N ATOM 422 CA ASP A 32 4.601 -16.018 -1.851 1.00 0.00 C ATOM 423 C ASP A 32 3.458 -15.000 -1.841 1.00 0.00 C ATOM 424 O ASP A 32 2.599 -15.018 -2.721 1.00 0.00 O ATOM 425 CB ASP A 32 4.649 -16.660 -3.239 1.00 0.00 C ATOM 426 CG ASP A 32 5.892 -17.508 -3.516 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.614 -17.794 -2.536 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.093 -17.852 -4.700 1.00 0.00 O ATOM 0 H ASP A 32 3.484 -17.520 -0.910 1.00 0.00 H new ATOM 0 HA ASP A 32 5.557 -15.538 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.765 -17.286 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.590 -15.872 -3.990 1.00 0.00 H new ATOM 433 N PRO A 33 3.485 -14.115 -0.809 1.00 0.00 N ATOM 434 CA PRO A 33 2.462 -13.093 -0.673 1.00 0.00 C ATOM 435 C PRO A 33 2.673 -11.968 -1.688 1.00 0.00 C ATOM 436 O PRO A 33 3.690 -11.933 -2.379 1.00 0.00 O ATOM 437 CB PRO A 33 2.568 -12.620 0.768 1.00 0.00 C ATOM 438 CG PRO A 33 3.941 -13.057 1.250 1.00 0.00 C ATOM 439 CD PRO A 33 4.487 -14.065 0.252 1.00 0.00 C ATOM 0 HA PRO A 33 1.461 -13.469 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.458 -11.538 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.781 -13.058 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.608 -12.199 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.873 -13.501 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.458 -13.754 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.626 -15.043 0.712 1.00 0.00 H new ATOM 447 N TYR A 34 1.695 -11.075 -1.746 1.00 0.00 N ATOM 448 CA TYR A 34 1.760 -9.952 -2.666 1.00 0.00 C ATOM 449 C TYR A 34 0.672 -8.923 -2.352 1.00 0.00 C ATOM 450 O TYR A 34 -0.481 -9.284 -2.122 1.00 0.00 O ATOM 451 CB TYR A 34 1.510 -10.533 -4.059 1.00 0.00 C ATOM 452 CG TYR A 34 0.056 -10.937 -4.313 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.424 -12.133 -3.819 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.775 -10.105 -5.036 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.792 -12.513 -4.058 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.143 -10.486 -5.275 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.584 -11.671 -4.774 1.00 0.00 C ATOM 458 OH TYR A 34 -3.876 -12.030 -5.000 1.00 0.00 O ATOM 0 H TYR A 34 0.853 -11.107 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 34 2.724 -9.449 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.808 -9.798 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.148 -11.406 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.226 -12.784 -3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.399 -9.169 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.180 -13.446 -3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.804 -9.845 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.937 -13.006 -5.070 1.00 0.00 H new ATOM 468 N VAL A 35 1.078 -7.662 -2.353 1.00 0.00 N ATOM 469 CA VAL A 35 0.152 -6.578 -2.071 1.00 0.00 C ATOM 470 C VAL A 35 -0.460 -6.082 -3.383 1.00 0.00 C ATOM 471 O VAL A 35 0.196 -6.098 -4.423 1.00 0.00 O ATOM 472 CB VAL A 35 0.864 -5.472 -1.288 1.00 0.00 C ATOM 473 CG1 VAL A 35 -0.065 -4.279 -1.058 1.00 0.00 C ATOM 474 CG2 VAL A 35 1.411 -6.005 0.037 1.00 0.00 C ATOM 0 H VAL A 35 2.035 -7.367 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.666 -6.928 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 35 1.709 -5.128 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.465 -3.507 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.385 -3.876 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.938 -4.602 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.912 -5.200 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.589 -6.388 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.122 -6.808 -0.159 1.00 0.00 H new ATOM 484 N GLN A 36 -1.710 -5.654 -3.290 1.00 0.00 N ATOM 485 CA GLN A 36 -2.419 -5.155 -4.457 1.00 0.00 C ATOM 486 C GLN A 36 -2.744 -3.670 -4.285 1.00 0.00 C ATOM 487 O GLN A 36 -3.741 -3.317 -3.657 1.00 0.00 O ATOM 488 CB GLN A 36 -3.689 -5.968 -4.716 1.00 0.00 C ATOM 489 CG GLN A 36 -4.544 -5.316 -5.804 1.00 0.00 C ATOM 490 CD GLN A 36 -5.713 -6.221 -6.200 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.558 -7.206 -6.902 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.887 -5.833 -5.710 1.00 0.00 N ATOM 0 H GLN A 36 -2.251 -5.642 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.772 -5.267 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.422 -6.981 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.266 -6.051 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.925 -4.359 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.928 -5.108 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.946 -4.997 -5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.729 -6.371 -5.916 1.00 0.00 H new ATOM 501 N LEU A 37 -1.883 -2.839 -4.854 1.00 0.00 N ATOM 502 CA LEU A 37 -2.066 -1.400 -4.772 1.00 0.00 C ATOM 503 C LEU A 37 -3.343 -1.009 -5.518 1.00 0.00 C ATOM 504 O LEU A 37 -3.461 -1.243 -6.720 1.00 0.00 O ATOM 505 CB LEU A 37 -0.816 -0.671 -5.270 1.00 0.00 C ATOM 506 CG LEU A 37 0.211 -0.294 -4.201 1.00 0.00 C ATOM 507 CD1 LEU A 37 0.058 -1.174 -2.959 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.633 -0.342 -4.765 1.00 0.00 C ATOM 0 H LEU A 37 -1.057 -3.135 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.195 -1.092 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.324 -1.300 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.130 0.239 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 37 0.021 0.734 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.800 -0.885 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.942 -1.046 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.206 -2.219 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.343 -0.070 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.851 -1.350 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.719 0.360 -5.595 1.00 0.00 H new ATOM 520 N THR A 38 -4.268 -0.420 -4.774 1.00 0.00 N ATOM 521 CA THR A 38 -5.533 0.005 -5.350 1.00 0.00 C ATOM 522 C THR A 38 -5.769 1.492 -5.078 1.00 0.00 C ATOM 523 O THR A 38 -5.505 1.975 -3.977 1.00 0.00 O ATOM 524 CB THR A 38 -6.634 -0.898 -4.791 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.183 -2.217 -5.083 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.946 -0.771 -5.569 1.00 0.00 C ATOM 0 H THR A 38 -4.167 -0.227 -3.778 1.00 0.00 H new ATOM 0 HA THR A 38 -5.529 -0.098 -6.435 1.00 0.00 H new ATOM 0 HB THR A 38 -6.808 -0.652 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.838 -2.867 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.694 -1.432 -5.132 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.300 0.259 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.780 -1.049 -6.610 1.00 0.00 H new ATOM 534 N CYS A 39 -6.264 2.177 -6.099 1.00 0.00 N ATOM 535 CA CYS A 39 -6.538 3.599 -5.983 1.00 0.00 C ATOM 536 C CYS A 39 -7.835 3.900 -6.738 1.00 0.00 C ATOM 537 O CYS A 39 -7.807 4.214 -7.927 1.00 0.00 O ATOM 538 CB CYS A 39 -5.370 4.444 -6.495 1.00 0.00 C ATOM 539 SG CYS A 39 -4.938 5.726 -5.263 1.00 0.00 S ATOM 0 H CYS A 39 -6.482 1.773 -7.010 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.659 3.865 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.507 3.807 -6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.637 4.913 -7.442 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.851 5.764 -4.338 1.00 0.00 H new ATOM 545 N ARG A 40 -8.941 3.794 -6.016 1.00 0.00 N ATOM 546 CA ARG A 40 -10.245 4.051 -6.603 1.00 0.00 C ATOM 547 C ARG A 40 -10.564 3.001 -7.669 1.00 0.00 C ATOM 548 O ARG A 40 -11.127 1.952 -7.363 1.00 0.00 O ATOM 549 CB ARG A 40 -10.300 5.443 -7.235 1.00 0.00 C ATOM 550 CG ARG A 40 -10.938 6.454 -6.280 1.00 0.00 C ATOM 551 CD ARG A 40 -10.387 6.292 -4.862 1.00 0.00 C ATOM 552 NE ARG A 40 -11.310 5.467 -4.052 1.00 0.00 N ATOM 553 CZ ARG A 40 -10.994 4.931 -2.865 1.00 0.00 C ATOM 554 NH1 ARG A 40 -9.777 5.131 -2.342 1.00 0.00 N ATOM 555 NH2 ARG A 40 -11.896 4.196 -2.200 1.00 0.00 N ATOM 0 H ARG A 40 -8.961 3.534 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.984 3.998 -5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.293 5.768 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.871 5.403 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.746 7.466 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.020 6.319 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.403 5.824 -4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.259 7.270 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.246 5.295 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.091 5.691 -2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.537 4.723 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.823 4.044 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.655 3.788 -1.297 1.00 0.00 H new ATOM 569 N THR A 41 -10.189 3.321 -8.899 1.00 0.00 N ATOM 570 CA THR A 41 -10.428 2.419 -10.013 1.00 0.00 C ATOM 571 C THR A 41 -9.106 1.856 -10.536 1.00 0.00 C ATOM 572 O THR A 41 -9.098 0.992 -11.412 1.00 0.00 O ATOM 573 CB THR A 41 -11.228 3.178 -11.073 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.451 4.346 -11.323 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.553 3.720 -10.531 1.00 0.00 C ATOM 0 H THR A 41 -9.721 4.192 -9.149 1.00 0.00 H new ATOM 0 HA THR A 41 -11.013 1.553 -9.703 1.00 0.00 H new ATOM 0 HB THR A 41 -11.425 2.520 -11.919 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.896 4.896 -12.001 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.081 4.250 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.167 2.892 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.356 4.405 -9.706 1.00 0.00 H new ATOM 583 N GLN A 42 -8.019 2.368 -9.978 1.00 0.00 N ATOM 584 CA GLN A 42 -6.693 1.928 -10.378 1.00 0.00 C ATOM 585 C GLN A 42 -6.218 0.789 -9.474 1.00 0.00 C ATOM 586 O GLN A 42 -6.042 0.978 -8.271 1.00 0.00 O ATOM 587 CB GLN A 42 -5.700 3.092 -10.361 1.00 0.00 C ATOM 588 CG GLN A 42 -6.114 4.179 -11.355 1.00 0.00 C ATOM 589 CD GLN A 42 -5.589 5.549 -10.919 1.00 0.00 C ATOM 590 OE1 GLN A 42 -4.459 5.922 -11.184 1.00 0.00 O ATOM 591 NE2 GLN A 42 -6.472 6.274 -10.238 1.00 0.00 N ATOM 0 H GLN A 42 -8.029 3.084 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.748 1.556 -11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.645 3.514 -9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.703 2.728 -10.609 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.729 3.937 -12.346 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.201 4.210 -11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.402 5.900 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.219 7.204 -9.903 1.00 0.00 H new ATOM 600 N ASP A 43 -6.022 -0.369 -10.088 1.00 0.00 N ATOM 601 CA ASP A 43 -5.570 -1.539 -9.354 1.00 0.00 C ATOM 602 C ASP A 43 -4.245 -2.025 -9.943 1.00 0.00 C ATOM 603 O ASP A 43 -4.181 -2.395 -11.115 1.00 0.00 O ATOM 604 CB ASP A 43 -6.582 -2.681 -9.460 1.00 0.00 C ATOM 605 CG ASP A 43 -7.594 -2.545 -10.600 1.00 0.00 C ATOM 606 OD1 ASP A 43 -8.337 -1.540 -10.583 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.601 -3.449 -11.463 1.00 0.00 O ATOM 0 H ASP A 43 -6.168 -0.522 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.454 -1.256 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.039 -3.617 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.126 -2.753 -8.518 1.00 0.00 H new ATOM 612 N GLN A 44 -3.219 -2.008 -9.105 1.00 0.00 N ATOM 613 CA GLN A 44 -1.899 -2.443 -9.528 1.00 0.00 C ATOM 614 C GLN A 44 -1.247 -3.298 -8.440 1.00 0.00 C ATOM 615 O GLN A 44 -1.160 -2.880 -7.286 1.00 0.00 O ATOM 616 CB GLN A 44 -1.017 -1.246 -9.888 1.00 0.00 C ATOM 617 CG GLN A 44 -1.751 -0.285 -10.824 1.00 0.00 C ATOM 618 CD GLN A 44 -0.924 0.979 -11.072 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.288 0.942 -11.204 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.645 2.095 -11.126 1.00 0.00 N ATOM 0 H GLN A 44 -3.275 -1.700 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.009 -3.054 -10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.723 -0.720 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.101 -1.595 -10.365 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.956 -0.781 -11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.714 -0.015 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.657 2.054 -11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.186 2.992 -11.286 1.00 0.00 H new ATOM 629 N LYS A 45 -0.805 -4.479 -8.845 1.00 0.00 N ATOM 630 CA LYS A 45 -0.164 -5.397 -7.919 1.00 0.00 C ATOM 631 C LYS A 45 1.354 -5.311 -8.092 1.00 0.00 C ATOM 632 O LYS A 45 1.840 -4.761 -9.079 1.00 0.00 O ATOM 633 CB LYS A 45 -0.724 -6.810 -8.090 1.00 0.00 C ATOM 634 CG LYS A 45 -2.188 -6.877 -7.653 1.00 0.00 C ATOM 635 CD LYS A 45 -2.808 -8.228 -8.014 1.00 0.00 C ATOM 636 CE LYS A 45 -3.082 -8.322 -9.516 1.00 0.00 C ATOM 637 NZ LYS A 45 -2.723 -9.664 -10.027 1.00 0.00 N ATOM 0 H LYS A 45 -0.878 -4.822 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.385 -5.115 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.638 -7.115 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.133 -7.513 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.257 -6.717 -6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.751 -6.075 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.137 -9.032 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.738 -8.365 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.135 -8.122 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.509 -7.560 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.916 -9.710 -11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.712 -9.841 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.288 -10.385 -9.536 1.00 0.00 H new ATOM 651 N SER A 46 2.061 -5.864 -7.117 1.00 0.00 N ATOM 652 CA SER A 46 3.513 -5.857 -7.149 1.00 0.00 C ATOM 653 C SER A 46 4.039 -7.279 -7.352 1.00 0.00 C ATOM 654 O SER A 46 3.327 -8.250 -7.099 1.00 0.00 O ATOM 655 CB SER A 46 4.090 -5.256 -5.866 1.00 0.00 C ATOM 656 OG SER A 46 5.330 -4.593 -6.097 1.00 0.00 O ATOM 0 H SER A 46 1.655 -6.320 -6.300 1.00 0.00 H new ATOM 0 HA SER A 46 3.833 -5.235 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.375 -4.550 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.233 -6.046 -5.128 1.00 0.00 H new ATOM 0 HG SER A 46 6.052 -5.255 -6.141 1.00 0.00 H new ATOM 662 N ASN A 47 5.281 -7.358 -7.806 1.00 0.00 N ATOM 663 CA ASN A 47 5.911 -8.645 -8.045 1.00 0.00 C ATOM 664 C ASN A 47 5.691 -9.549 -6.830 1.00 0.00 C ATOM 665 O ASN A 47 5.621 -9.069 -5.700 1.00 0.00 O ATOM 666 CB ASN A 47 7.419 -8.491 -8.253 1.00 0.00 C ATOM 667 CG ASN A 47 7.718 -7.513 -9.391 1.00 0.00 C ATOM 668 OD1 ASN A 47 7.341 -6.352 -9.361 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.414 -8.043 -10.392 1.00 0.00 N ATOM 0 H ASN A 47 5.868 -6.551 -8.015 1.00 0.00 H new ATOM 0 HA ASN A 47 5.466 -9.077 -8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.882 -8.136 -7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.860 -9.462 -8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.664 -7.471 -11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.698 -9.022 -10.354 1.00 0.00 H new ATOM 676 N VAL A 48 5.590 -10.841 -7.104 1.00 0.00 N ATOM 677 CA VAL A 48 5.380 -11.816 -6.048 1.00 0.00 C ATOM 678 C VAL A 48 6.685 -12.013 -5.274 1.00 0.00 C ATOM 679 O VAL A 48 7.746 -12.183 -5.873 1.00 0.00 O ATOM 680 CB VAL A 48 4.833 -13.118 -6.638 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.029 -14.285 -5.667 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.361 -12.968 -7.026 1.00 0.00 C ATOM 0 H VAL A 48 5.650 -11.235 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 48 4.633 -11.456 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 48 5.397 -13.338 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.632 -15.198 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.092 -14.414 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.503 -14.076 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.997 -13.907 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.776 -12.712 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.259 -12.178 -7.770 1.00 0.00 H new ATOM 692 N ALA A 49 6.564 -11.982 -3.955 1.00 0.00 N ATOM 693 CA ALA A 49 7.722 -12.154 -3.093 1.00 0.00 C ATOM 694 C ALA A 49 8.000 -13.648 -2.913 1.00 0.00 C ATOM 695 O ALA A 49 7.496 -14.268 -1.978 1.00 0.00 O ATOM 696 CB ALA A 49 7.477 -11.442 -1.761 1.00 0.00 C ATOM 0 H ALA A 49 5.682 -11.840 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 49 8.607 -11.706 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.345 -11.571 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.313 -10.380 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.598 -11.868 -1.277 1.00 0.00 H new ATOM 702 N GLU A 50 8.802 -14.182 -3.823 1.00 0.00 N ATOM 703 CA GLU A 50 9.153 -15.591 -3.776 1.00 0.00 C ATOM 704 C GLU A 50 10.245 -15.831 -2.731 1.00 0.00 C ATOM 705 O GLU A 50 11.241 -15.111 -2.693 1.00 0.00 O ATOM 706 CB GLU A 50 9.592 -16.093 -5.153 1.00 0.00 C ATOM 707 CG GLU A 50 8.417 -16.100 -6.134 1.00 0.00 C ATOM 708 CD GLU A 50 8.909 -16.230 -7.577 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.760 -17.116 -7.809 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.423 -15.441 -8.415 1.00 0.00 O ATOM 0 H GLU A 50 9.218 -13.664 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 50 8.268 -16.157 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.389 -15.457 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.002 -17.099 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.747 -16.927 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.841 -15.181 -6.024 1.00 0.00 H new ATOM 717 N GLY A 51 10.020 -16.846 -1.910 1.00 0.00 N ATOM 718 CA GLY A 51 10.972 -17.190 -0.867 1.00 0.00 C ATOM 719 C GLY A 51 11.583 -15.933 -0.246 1.00 0.00 C ATOM 720 O GLY A 51 12.787 -15.704 -0.356 1.00 0.00 O ATOM 0 H GLY A 51 9.193 -17.441 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.474 -17.776 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.762 -17.815 -1.283 1.00 0.00 H new ATOM 724 N MET A 52 10.726 -15.150 0.393 1.00 0.00 N ATOM 725 CA MET A 52 11.167 -13.922 1.032 1.00 0.00 C ATOM 726 C MET A 52 11.049 -14.022 2.554 1.00 0.00 C ATOM 727 O MET A 52 11.843 -13.428 3.282 1.00 0.00 O ATOM 728 CB MET A 52 10.318 -12.752 0.530 1.00 0.00 C ATOM 729 CG MET A 52 11.198 -11.650 -0.064 1.00 0.00 C ATOM 730 SD MET A 52 12.135 -12.293 -1.440 1.00 0.00 S ATOM 731 CE MET A 52 11.501 -11.265 -2.754 1.00 0.00 C ATOM 0 H MET A 52 9.728 -15.342 0.482 1.00 0.00 H new ATOM 0 HA MET A 52 12.214 -13.759 0.778 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.614 -13.106 -0.223 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.728 -12.347 1.352 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.578 -10.816 -0.393 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.874 -11.263 0.698 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.482 -11.834 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.490 -10.940 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.143 -10.393 -2.875 1.00 0.00 H new ATOM 741 N GLY A 53 10.052 -14.778 2.989 1.00 0.00 N ATOM 742 CA GLY A 53 9.820 -14.964 4.412 1.00 0.00 C ATOM 743 C GLY A 53 8.739 -14.008 4.921 1.00 0.00 C ATOM 744 O GLY A 53 7.908 -13.537 4.146 1.00 0.00 O ATOM 0 H GLY A 53 9.396 -15.269 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.519 -15.994 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.747 -14.796 4.960 1.00 0.00 H new ATOM 748 N THR A 54 8.786 -13.750 6.219 1.00 0.00 N ATOM 749 CA THR A 54 7.822 -12.859 6.841 1.00 0.00 C ATOM 750 C THR A 54 8.237 -11.400 6.639 1.00 0.00 C ATOM 751 O THR A 54 7.665 -10.498 7.249 1.00 0.00 O ATOM 752 CB THR A 54 7.692 -13.256 8.313 1.00 0.00 C ATOM 753 OG1 THR A 54 9.028 -13.542 8.715 1.00 0.00 O ATOM 754 CG2 THR A 54 6.954 -14.583 8.499 1.00 0.00 C ATOM 0 H THR A 54 9.477 -14.143 6.858 1.00 0.00 H new ATOM 0 HA THR A 54 6.840 -12.952 6.377 1.00 0.00 H new ATOM 0 HB THR A 54 7.167 -12.470 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.036 -13.807 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.890 -14.818 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.949 -14.502 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.496 -15.376 7.985 1.00 0.00 H new ATOM 762 N THR A 55 9.228 -11.214 5.780 1.00 0.00 N ATOM 763 CA THR A 55 9.726 -9.880 5.490 1.00 0.00 C ATOM 764 C THR A 55 10.039 -9.740 3.999 1.00 0.00 C ATOM 765 O THR A 55 11.192 -9.547 3.618 1.00 0.00 O ATOM 766 CB THR A 55 10.934 -9.620 6.391 1.00 0.00 C ATOM 767 OG1 THR A 55 11.684 -10.830 6.324 1.00 0.00 O ATOM 768 CG2 THR A 55 10.549 -9.501 7.867 1.00 0.00 C ATOM 0 H THR A 55 9.700 -11.965 5.275 1.00 0.00 H new ATOM 0 HA THR A 55 8.973 -9.122 5.705 1.00 0.00 H new ATOM 0 HB THR A 55 11.434 -8.706 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.487 -10.748 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.443 -9.317 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.851 -8.674 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.078 -10.427 8.196 1.00 0.00 H new ATOM 776 N PRO A 56 8.963 -9.846 3.173 1.00 0.00 N ATOM 777 CA PRO A 56 9.111 -9.733 1.732 1.00 0.00 C ATOM 778 C PRO A 56 9.331 -8.277 1.316 1.00 0.00 C ATOM 779 O PRO A 56 8.839 -7.360 1.971 1.00 0.00 O ATOM 780 CB PRO A 56 7.837 -10.329 1.158 1.00 0.00 C ATOM 781 CG PRO A 56 6.827 -10.328 2.294 1.00 0.00 C ATOM 782 CD PRO A 56 7.582 -10.075 3.589 1.00 0.00 C ATOM 0 HA PRO A 56 9.987 -10.262 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.476 -9.741 0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.010 -11.340 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.074 -9.556 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.302 -11.282 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.180 -9.212 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.508 -10.928 4.264 1.00 0.00 H new ATOM 790 N GLU A 57 10.071 -8.112 0.229 1.00 0.00 N ATOM 791 CA GLU A 57 10.362 -6.783 -0.282 1.00 0.00 C ATOM 792 C GLU A 57 9.924 -6.669 -1.744 1.00 0.00 C ATOM 793 O GLU A 57 9.644 -7.677 -2.392 1.00 0.00 O ATOM 794 CB GLU A 57 11.847 -6.449 -0.128 1.00 0.00 C ATOM 795 CG GLU A 57 12.068 -4.936 -0.087 1.00 0.00 C ATOM 796 CD GLU A 57 13.373 -4.591 0.634 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.423 -5.092 0.176 1.00 0.00 O ATOM 798 OE2 GLU A 57 13.290 -3.835 1.626 1.00 0.00 O ATOM 0 H GLU A 57 10.477 -8.876 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 57 9.797 -6.058 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.232 -6.901 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.408 -6.880 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.094 -4.541 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.231 -4.456 0.420 1.00 0.00 H new ATOM 805 N TRP A 58 9.877 -5.434 -2.220 1.00 0.00 N ATOM 806 CA TRP A 58 9.477 -5.175 -3.592 1.00 0.00 C ATOM 807 C TRP A 58 10.276 -3.973 -4.099 1.00 0.00 C ATOM 808 O TRP A 58 10.852 -4.019 -5.186 1.00 0.00 O ATOM 809 CB TRP A 58 7.964 -4.972 -3.694 1.00 0.00 C ATOM 810 CG TRP A 58 7.143 -6.200 -3.294 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.829 -7.264 -4.046 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.541 -6.448 -2.006 1.00 0.00 C ATOM 813 NE1 TRP A 58 6.072 -8.176 -3.340 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.891 -7.665 -2.060 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.545 -5.671 -0.834 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.197 -8.212 -0.974 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.847 -6.232 0.242 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.187 -7.455 0.204 1.00 0.00 C ATOM 0 H TRP A 58 10.110 -4.601 -1.679 1.00 0.00 H new ATOM 0 HA TRP A 58 9.699 -6.033 -4.226 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.677 -4.133 -3.060 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.713 -4.698 -4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.131 -7.391 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.711 -9.063 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.047 -4.717 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.696 -9.167 -1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.819 -5.675 1.167 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.669 -7.819 1.079 1.00 0.00 H new ATOM 829 N ASN A 59 10.287 -2.925 -3.288 1.00 0.00 N ATOM 830 CA ASN A 59 11.007 -1.713 -3.641 1.00 0.00 C ATOM 831 C ASN A 59 10.507 -1.204 -4.995 1.00 0.00 C ATOM 832 O ASN A 59 11.273 -0.630 -5.767 1.00 0.00 O ATOM 833 CB ASN A 59 12.509 -1.980 -3.762 1.00 0.00 C ATOM 834 CG ASN A 59 13.174 -2.004 -2.384 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.225 -1.014 -1.673 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.679 -3.188 -2.048 1.00 0.00 N ATOM 0 H ASN A 59 9.809 -2.890 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 59 10.833 -0.977 -2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.673 -2.933 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.971 -1.209 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.143 -3.307 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.602 -3.976 -2.691 1.00 0.00 H new ATOM 843 N GLU A 60 9.225 -1.434 -5.240 1.00 0.00 N ATOM 844 CA GLU A 60 8.614 -1.005 -6.487 1.00 0.00 C ATOM 845 C GLU A 60 8.152 0.449 -6.380 1.00 0.00 C ATOM 846 O GLU A 60 8.436 1.123 -5.390 1.00 0.00 O ATOM 847 CB GLU A 60 7.452 -1.923 -6.872 1.00 0.00 C ATOM 848 CG GLU A 60 7.905 -2.997 -7.862 1.00 0.00 C ATOM 849 CD GLU A 60 8.526 -2.366 -9.110 1.00 0.00 C ATOM 850 OE1 GLU A 60 7.852 -1.493 -9.699 1.00 0.00 O ATOM 851 OE2 GLU A 60 9.660 -2.770 -9.446 1.00 0.00 O ATOM 0 H GLU A 60 8.593 -1.911 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 60 9.363 -1.070 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.046 -2.396 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.649 -1.333 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.630 -3.655 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.054 -3.615 -8.148 1.00 0.00 H new ATOM 858 N THR A 61 7.449 0.891 -7.412 1.00 0.00 N ATOM 859 CA THR A 61 6.945 2.253 -7.445 1.00 0.00 C ATOM 860 C THR A 61 5.682 2.334 -8.306 1.00 0.00 C ATOM 861 O THR A 61 5.714 2.013 -9.493 1.00 0.00 O ATOM 862 CB THR A 61 8.073 3.163 -7.936 1.00 0.00 C ATOM 863 OG1 THR A 61 8.939 3.280 -6.810 1.00 0.00 O ATOM 864 CG2 THR A 61 7.601 4.595 -8.193 1.00 0.00 C ATOM 0 H THR A 61 7.217 0.330 -8.232 1.00 0.00 H new ATOM 0 HA THR A 61 6.646 2.588 -6.452 1.00 0.00 H new ATOM 0 HB THR A 61 8.498 2.752 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.574 2.763 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.440 5.198 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.820 4.590 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.206 5.019 -7.270 1.00 0.00 H new ATOM 872 N PHE A 62 4.600 2.764 -7.674 1.00 0.00 N ATOM 873 CA PHE A 62 3.329 2.891 -8.366 1.00 0.00 C ATOM 874 C PHE A 62 2.850 4.344 -8.372 1.00 0.00 C ATOM 875 O PHE A 62 2.959 5.041 -7.364 1.00 0.00 O ATOM 876 CB PHE A 62 2.317 2.035 -7.603 1.00 0.00 C ATOM 877 CG PHE A 62 2.764 0.589 -7.383 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.709 0.304 -6.447 1.00 0.00 C ATOM 879 CD2 PHE A 62 2.218 -0.412 -8.124 1.00 0.00 C ATOM 880 CE1 PHE A 62 4.124 -1.038 -6.243 1.00 0.00 C ATOM 881 CE2 PHE A 62 2.634 -1.755 -7.920 1.00 0.00 C ATOM 882 CZ PHE A 62 3.578 -2.039 -6.984 1.00 0.00 C ATOM 0 H PHE A 62 4.577 3.029 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 62 3.436 2.568 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.124 2.496 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.373 2.034 -8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.144 1.099 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.468 -0.186 -8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.874 -1.264 -5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.200 -2.550 -8.508 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.894 -3.060 -6.829 1.00 0.00 H new ATOM 892 N ILE A 63 2.330 4.758 -9.518 1.00 0.00 N ATOM 893 CA ILE A 63 1.833 6.115 -9.667 1.00 0.00 C ATOM 894 C ILE A 63 0.307 6.087 -9.770 1.00 0.00 C ATOM 895 O ILE A 63 -0.266 5.138 -10.303 1.00 0.00 O ATOM 896 CB ILE A 63 2.516 6.808 -10.848 1.00 0.00 C ATOM 897 CG1 ILE A 63 3.993 6.415 -10.935 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.330 8.325 -10.775 1.00 0.00 C ATOM 899 CD1 ILE A 63 4.797 7.052 -9.800 1.00 0.00 C ATOM 0 H ILE A 63 2.242 4.178 -10.352 1.00 0.00 H new ATOM 0 HA ILE A 63 2.082 6.711 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 63 2.038 6.468 -11.767 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.088 5.330 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.401 6.730 -11.896 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.825 8.794 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.266 8.563 -10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.766 8.701 -9.849 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.843 6.757 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.720 8.137 -9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.402 6.716 -8.841 1.00 0.00 H new ATOM 911 N PHE A 64 -0.309 7.139 -9.251 1.00 0.00 N ATOM 912 CA PHE A 64 -1.757 7.247 -9.277 1.00 0.00 C ATOM 913 C PHE A 64 -2.196 8.710 -9.376 1.00 0.00 C ATOM 914 O PHE A 64 -1.833 9.529 -8.533 1.00 0.00 O ATOM 915 CB PHE A 64 -2.274 6.659 -7.963 1.00 0.00 C ATOM 916 CG PHE A 64 -2.147 5.137 -7.869 1.00 0.00 C ATOM 917 CD1 PHE A 64 -3.030 4.340 -8.530 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.153 4.582 -7.127 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.912 2.928 -8.443 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.036 3.169 -7.040 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.918 2.372 -7.700 1.00 0.00 C ATOM 0 H PHE A 64 0.169 7.925 -8.810 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.154 6.717 -10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.728 7.111 -7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.322 6.934 -7.841 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.820 4.781 -9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.452 5.215 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.612 2.295 -8.967 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.247 2.728 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.829 1.298 -7.634 1.00 0.00 H new ATOM 931 N THR A 65 -2.972 8.993 -10.412 1.00 0.00 N ATOM 932 CA THR A 65 -3.464 10.342 -10.631 1.00 0.00 C ATOM 933 C THR A 65 -4.349 10.783 -9.464 1.00 0.00 C ATOM 934 O THR A 65 -5.280 10.074 -9.084 1.00 0.00 O ATOM 935 CB THR A 65 -4.182 10.370 -11.983 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.124 10.354 -12.938 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.895 11.699 -12.239 1.00 0.00 C ATOM 0 H THR A 65 -3.272 8.311 -11.109 1.00 0.00 H new ATOM 0 HA THR A 65 -2.645 11.061 -10.666 1.00 0.00 H new ATOM 0 HB THR A 65 -4.905 9.556 -12.027 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.500 10.369 -13.843 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.388 11.666 -13.211 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.639 11.869 -11.460 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.167 12.510 -12.229 1.00 0.00 H new ATOM 945 N VAL A 66 -4.029 11.952 -8.929 1.00 0.00 N ATOM 946 CA VAL A 66 -4.783 12.496 -7.812 1.00 0.00 C ATOM 947 C VAL A 66 -5.549 13.737 -8.276 1.00 0.00 C ATOM 948 O VAL A 66 -5.038 14.525 -9.071 1.00 0.00 O ATOM 949 CB VAL A 66 -3.847 12.776 -6.635 1.00 0.00 C ATOM 950 CG1 VAL A 66 -4.641 13.142 -5.379 1.00 0.00 C ATOM 951 CG2 VAL A 66 -2.924 11.585 -6.373 1.00 0.00 C ATOM 0 H VAL A 66 -3.258 12.538 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.518 11.773 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.224 13.630 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.952 13.336 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.236 14.034 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.301 12.316 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.269 11.810 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.523 10.705 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.321 11.390 -7.260 1.00 0.00 H new ATOM 961 N SER A 67 -6.761 13.872 -7.760 1.00 0.00 N ATOM 962 CA SER A 67 -7.602 15.004 -8.111 1.00 0.00 C ATOM 963 C SER A 67 -8.662 15.225 -7.030 1.00 0.00 C ATOM 964 O SER A 67 -8.706 16.284 -6.406 1.00 0.00 O ATOM 965 CB SER A 67 -8.269 14.793 -9.472 1.00 0.00 C ATOM 966 OG SER A 67 -9.122 15.880 -9.823 1.00 0.00 O ATOM 0 H SER A 67 -7.181 13.216 -7.101 1.00 0.00 H new ATOM 0 HA SER A 67 -6.971 15.890 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.502 14.673 -10.237 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.848 13.870 -9.453 1.00 0.00 H new ATOM 0 HG SER A 67 -9.527 15.708 -10.699 1.00 0.00 H new ATOM 972 N GLU A 68 -9.489 14.207 -6.841 1.00 0.00 N ATOM 973 CA GLU A 68 -10.545 14.277 -5.845 1.00 0.00 C ATOM 974 C GLU A 68 -10.927 12.871 -5.377 1.00 0.00 C ATOM 975 O GLU A 68 -11.048 11.954 -6.188 1.00 0.00 O ATOM 976 CB GLU A 68 -11.765 15.022 -6.391 1.00 0.00 C ATOM 977 CG GLU A 68 -12.677 14.080 -7.178 1.00 0.00 C ATOM 978 CD GLU A 68 -13.879 14.832 -7.752 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.656 15.950 -8.266 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.994 14.273 -7.665 1.00 0.00 O ATOM 0 H GLU A 68 -9.449 13.330 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.172 14.836 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.322 15.468 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.438 15.839 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.114 13.615 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.023 13.276 -6.528 1.00 0.00 H new ATOM 987 N GLY A 69 -11.104 12.745 -4.070 1.00 0.00 N ATOM 988 CA GLY A 69 -11.469 11.467 -3.484 1.00 0.00 C ATOM 989 C GLY A 69 -10.225 10.651 -3.128 1.00 0.00 C ATOM 990 O GLY A 69 -10.100 10.159 -2.007 1.00 0.00 O ATOM 0 H GLY A 69 -11.001 13.507 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.069 11.632 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.088 10.906 -4.184 1.00 0.00 H new ATOM 994 N THR A 70 -9.335 10.533 -4.103 1.00 0.00 N ATOM 995 CA THR A 70 -8.104 9.786 -3.906 1.00 0.00 C ATOM 996 C THR A 70 -7.210 10.491 -2.884 1.00 0.00 C ATOM 997 O THR A 70 -6.445 11.388 -3.237 1.00 0.00 O ATOM 998 CB THR A 70 -7.439 9.603 -5.272 1.00 0.00 C ATOM 999 OG1 THR A 70 -8.412 8.900 -6.040 1.00 0.00 O ATOM 1000 CG2 THR A 70 -6.246 8.647 -5.218 1.00 0.00 C ATOM 0 H THR A 70 -9.442 10.942 -5.031 1.00 0.00 H new ATOM 0 HA THR A 70 -8.303 8.798 -3.490 1.00 0.00 H new ATOM 0 HB THR A 70 -7.112 10.572 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.064 8.741 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.810 8.552 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.497 9.038 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.579 7.668 -4.873 1.00 0.00 H new ATOM 1008 N THR A 71 -7.335 10.059 -1.638 1.00 0.00 N ATOM 1009 CA THR A 71 -6.548 10.638 -0.563 1.00 0.00 C ATOM 1010 C THR A 71 -5.931 9.535 0.299 1.00 0.00 C ATOM 1011 O THR A 71 -5.361 9.812 1.354 1.00 0.00 O ATOM 1012 CB THR A 71 -7.450 11.591 0.224 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.550 10.778 0.622 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.082 12.665 -0.663 1.00 0.00 C ATOM 0 H THR A 71 -7.970 9.315 -1.349 1.00 0.00 H new ATOM 0 HA THR A 71 -5.707 11.212 -0.953 1.00 0.00 H new ATOM 0 HB THR A 71 -6.872 12.068 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.184 11.316 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.712 13.314 -0.055 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.297 13.257 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.688 12.190 -1.434 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.065 8.307 -0.181 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.528 7.161 0.532 1.00 0.00 C ATOM 1024 C GLU A 72 -5.394 5.964 -0.411 1.00 0.00 C ATOM 1025 O GLU A 72 -6.214 5.783 -1.309 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.397 6.812 1.742 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.550 5.889 1.341 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.845 6.290 2.051 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -8.762 6.574 3.265 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.888 6.303 1.362 1.00 0.00 O ATOM 0 H GLU A 72 -6.538 8.081 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.536 7.420 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.787 6.328 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.795 7.725 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.695 5.930 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.299 4.858 1.590 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.355 5.178 -0.173 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.103 4.003 -0.990 1.00 0.00 C ATOM 1039 C LEU A 73 -4.497 2.749 -0.208 1.00 0.00 C ATOM 1040 O LEU A 73 -4.345 2.700 1.012 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.654 3.991 -1.481 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.203 2.726 -2.212 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.693 2.726 -3.662 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.686 2.550 -2.120 1.00 0.00 C ATOM 0 H LEU A 73 -3.678 5.331 0.574 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.719 4.026 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.510 4.842 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.999 4.143 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.657 1.867 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.359 1.815 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.782 2.769 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.288 3.594 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.392 1.643 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.192 3.410 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.392 2.472 -1.073 1.00 0.00 H new ATOM 1056 N LYS A 74 -4.996 1.765 -0.941 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.414 0.514 -0.331 1.00 0.00 C ATOM 1058 C LYS A 74 -4.394 -0.577 -0.666 1.00 0.00 C ATOM 1059 O LYS A 74 -4.122 -0.838 -1.836 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.845 0.166 -0.745 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.851 0.650 0.301 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.722 2.157 0.531 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.078 2.851 0.392 1.00 0.00 C ATOM 1064 NZ LYS A 74 -10.042 2.308 1.375 1.00 0.00 N ATOM 0 H LYS A 74 -5.120 1.809 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.436 0.609 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.070 0.622 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.938 -0.912 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.863 0.414 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.688 0.120 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.314 2.343 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.018 2.579 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.961 3.924 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.463 2.712 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.783 3.013 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.475 1.442 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.546 2.086 2.262 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.859 -1.184 0.383 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.876 -2.241 0.215 1.00 0.00 C ATOM 1080 C ALA A 75 -3.400 -3.526 0.859 1.00 0.00 C ATOM 1081 O ALA A 75 -3.367 -3.671 2.080 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.539 -1.794 0.809 1.00 0.00 C ATOM 0 H ALA A 75 -4.088 -0.964 1.352 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.710 -2.446 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.802 -2.587 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.196 -0.895 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.665 -1.581 1.871 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.870 -4.427 0.009 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.400 -5.696 0.480 1.00 0.00 C ATOM 1090 C LYS A 76 -3.358 -6.793 0.255 1.00 0.00 C ATOM 1091 O LYS A 76 -2.941 -7.035 -0.877 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.752 -5.987 -0.174 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.905 -5.582 0.748 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.057 -6.585 0.657 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.319 -6.032 1.323 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.142 -5.963 2.791 1.00 0.00 N ATOM 0 H LYS A 76 -3.895 -4.304 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.593 -5.655 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.828 -5.446 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.825 -7.049 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.549 -5.523 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.261 -4.588 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.263 -6.813 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.768 -7.520 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.540 -5.039 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.172 -6.667 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.072 -6.004 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.561 -6.765 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.669 -5.071 3.042 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.969 -7.429 1.350 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.984 -8.496 1.286 1.00 0.00 C ATOM 1112 C ILE A 77 -2.680 -9.804 0.904 1.00 0.00 C ATOM 1113 O ILE A 77 -3.699 -10.163 1.490 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.197 -8.578 2.596 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.509 -7.247 2.906 1.00 0.00 C ATOM 1116 CG2 ILE A 77 -0.207 -9.743 2.568 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.414 -6.344 3.747 1.00 0.00 C ATOM 0 H ILE A 77 -3.318 -7.226 2.287 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.247 -8.288 0.511 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.900 -8.773 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.424 -7.431 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.250 -6.742 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.339 -9.779 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.749 -10.678 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.496 -9.604 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.901 -5.405 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.335 -6.142 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.652 -6.841 4.687 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.100 -10.480 -0.078 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.652 -11.740 -0.545 1.00 0.00 C ATOM 1131 C PHE A 78 -1.553 -12.792 -0.709 1.00 0.00 C ATOM 1132 O PHE A 78 -0.401 -12.553 -0.350 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.290 -11.470 -1.909 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.607 -10.694 -1.837 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.744 -11.320 -1.431 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.640 -9.378 -2.180 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.966 -10.599 -1.364 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.862 -8.658 -2.113 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.999 -9.284 -1.707 1.00 0.00 C ATOM 0 H PHE A 78 -1.254 -10.179 -0.562 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.377 -12.119 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.585 -10.912 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.468 -12.421 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.718 -12.365 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.737 -8.881 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.869 -11.096 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.889 -7.613 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.928 -8.736 -1.657 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.948 -13.935 -1.252 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.011 -15.024 -1.467 1.00 0.00 C ATOM 1151 C ASP A 79 -1.044 -15.435 -2.941 1.00 0.00 C ATOM 1152 O ASP A 79 -2.115 -15.654 -3.504 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.385 -16.247 -0.627 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.388 -17.405 -0.692 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -0.223 -17.950 -1.805 1.00 0.00 O ATOM 1156 OD2 ASP A 79 0.186 -17.720 0.372 1.00 0.00 O ATOM 0 H ASP A 79 -2.904 -14.130 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.019 -14.678 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.491 -15.936 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.360 -16.608 -0.953 1.00 0.00 H new ATOM 1161 N LYS A 80 0.143 -15.528 -3.523 1.00 0.00 N ATOM 1162 CA LYS A 80 0.264 -15.909 -4.920 1.00 0.00 C ATOM 1163 C LYS A 80 -0.685 -17.073 -5.210 1.00 0.00 C ATOM 1164 O LYS A 80 -1.287 -17.136 -6.281 1.00 0.00 O ATOM 1165 CB LYS A 80 1.724 -16.202 -5.271 1.00 0.00 C ATOM 1166 CG LYS A 80 1.828 -17.386 -6.234 1.00 0.00 C ATOM 1167 CD LYS A 80 3.281 -17.628 -6.650 1.00 0.00 C ATOM 1168 CE LYS A 80 3.843 -18.880 -5.974 1.00 0.00 C ATOM 1169 NZ LYS A 80 5.057 -19.349 -6.679 1.00 0.00 N ATOM 0 H LYS A 80 1.029 -15.346 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.035 -15.085 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.177 -15.320 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.284 -16.418 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.428 -18.282 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.220 -17.195 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.340 -17.738 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.888 -16.763 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.081 -18.662 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.090 -19.668 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.101 -20.387 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.023 -19.040 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.901 -18.950 -6.221 1.00 0.00 H new ATOM 1183 N ASP A 81 -0.789 -17.967 -4.237 1.00 0.00 N ATOM 1184 CA ASP A 81 -1.654 -19.126 -4.375 1.00 0.00 C ATOM 1185 C ASP A 81 -3.057 -18.772 -3.877 1.00 0.00 C ATOM 1186 O ASP A 81 -3.692 -19.565 -3.183 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.139 -20.300 -3.541 1.00 0.00 C ATOM 1188 CG ASP A 81 -0.059 -21.148 -4.217 1.00 0.00 C ATOM 1189 OD1 ASP A 81 0.938 -20.544 -4.667 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -0.255 -22.382 -4.267 1.00 0.00 O ATOM 0 H ASP A 81 -0.288 -17.912 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.671 -19.411 -5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.742 -19.913 -2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.981 -20.944 -3.289 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.500 -17.580 -4.249 1.00 0.00 N ATOM 1196 CA VAL A 82 -4.815 -17.111 -3.848 1.00 0.00 C ATOM 1197 C VAL A 82 -5.282 -16.024 -4.818 1.00 0.00 C ATOM 1198 O VAL A 82 -4.469 -15.259 -5.336 1.00 0.00 O ATOM 1199 CB VAL A 82 -4.782 -16.641 -2.393 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.081 -15.924 -2.019 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.508 -17.810 -1.445 1.00 0.00 C ATOM 0 H VAL A 82 -2.971 -16.925 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.541 -17.923 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.964 -15.928 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.031 -15.600 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.216 -15.056 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.922 -16.605 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.490 -17.448 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.294 -18.558 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.545 -18.258 -1.689 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.588 -15.989 -5.034 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.173 -15.007 -5.932 1.00 0.00 C ATOM 1213 C GLY A 83 -7.599 -13.752 -5.170 1.00 0.00 C ATOM 1214 O GLY A 83 -8.208 -13.844 -4.105 1.00 0.00 O ATOM 0 H GLY A 83 -7.259 -16.625 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.452 -14.740 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.036 -15.440 -6.438 1.00 0.00 H new ATOM 1218 N THR A 84 -7.262 -12.606 -5.744 1.00 0.00 N ATOM 1219 CA THR A 84 -7.603 -11.333 -5.132 1.00 0.00 C ATOM 1220 C THR A 84 -8.995 -11.400 -4.502 1.00 0.00 C ATOM 1221 O THR A 84 -9.258 -10.743 -3.496 1.00 0.00 O ATOM 1222 CB THR A 84 -7.471 -10.245 -6.199 1.00 0.00 C ATOM 1223 OG1 THR A 84 -8.136 -10.790 -7.335 1.00 0.00 O ATOM 1224 CG2 THR A 84 -6.026 -10.057 -6.668 1.00 0.00 C ATOM 0 H THR A 84 -6.756 -12.533 -6.627 1.00 0.00 H new ATOM 0 HA THR A 84 -6.922 -11.092 -4.315 1.00 0.00 H new ATOM 0 HB THR A 84 -7.850 -9.302 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.100 -10.148 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.988 -9.274 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.402 -9.773 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.657 -10.990 -7.093 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.852 -12.201 -5.119 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.211 -12.362 -4.631 1.00 0.00 C ATOM 1234 C GLU A 85 -11.364 -13.710 -3.925 1.00 0.00 C ATOM 1235 O GLU A 85 -12.285 -14.470 -4.222 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.223 -12.222 -5.770 1.00 0.00 C ATOM 1237 CG GLU A 85 -12.177 -10.817 -6.374 1.00 0.00 C ATOM 1238 CD GLU A 85 -13.371 -10.579 -7.302 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -14.416 -10.136 -6.779 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.211 -10.846 -8.512 1.00 0.00 O ATOM 0 H GLU A 85 -9.631 -12.745 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.414 -11.570 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.011 -12.961 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.226 -12.429 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.178 -10.074 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.248 -10.686 -6.930 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.448 -13.967 -3.003 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.470 -15.211 -2.252 1.00 0.00 C ATOM 1249 C ASP A 86 -10.367 -14.900 -0.757 1.00 0.00 C ATOM 1250 O ASP A 86 -11.287 -15.189 0.006 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.288 -16.105 -2.632 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.169 -17.398 -1.822 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.686 -17.404 -0.684 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -8.564 -18.350 -2.360 1.00 0.00 O ATOM 0 H ASP A 86 -9.686 -13.335 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.401 -15.728 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.371 -16.362 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.367 -15.534 -2.514 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.238 -14.316 -0.383 1.00 0.00 N ATOM 1260 CA ASP A 87 -9.002 -13.963 1.007 1.00 0.00 C ATOM 1261 C ASP A 87 -7.630 -13.298 1.134 1.00 0.00 C ATOM 1262 O ASP A 87 -6.603 -13.938 0.912 1.00 0.00 O ATOM 1263 CB ASP A 87 -9.010 -15.206 1.899 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.633 -15.005 3.282 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -10.081 -13.868 3.543 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -9.648 -15.994 4.047 1.00 0.00 O ATOM 0 H ASP A 87 -8.476 -14.078 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.796 -13.287 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.551 -16.000 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.984 -15.550 2.026 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.657 -12.023 1.491 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.428 -11.264 1.650 1.00 0.00 C ATOM 1273 C ALA A 88 -5.846 -11.531 3.040 1.00 0.00 C ATOM 1274 O ALA A 88 -6.463 -11.196 4.050 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.710 -9.779 1.411 1.00 0.00 C ATOM 0 H ALA A 88 -8.511 -11.496 1.675 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.686 -11.577 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.788 -9.210 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.094 -9.640 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.449 -9.428 2.132 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.665 -12.131 3.046 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.993 -12.446 4.295 1.00 0.00 C ATOM 1283 C VAL A 89 -4.120 -11.259 5.252 1.00 0.00 C ATOM 1284 O VAL A 89 -4.108 -11.435 6.469 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.539 -12.840 4.022 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.425 -14.335 3.719 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.949 -12.003 2.886 1.00 0.00 C ATOM 0 H VAL A 89 -4.156 -12.407 2.206 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.464 -13.303 4.776 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.961 -12.636 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.382 -14.589 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.788 -14.908 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.023 -14.575 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.916 -12.303 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.530 -12.161 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.980 -10.948 3.157 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.241 -10.077 4.665 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.371 -8.862 5.451 1.00 0.00 C ATOM 1299 C GLY A 90 -4.485 -7.634 4.546 1.00 0.00 C ATOM 1300 O GLY A 90 -4.464 -7.756 3.322 1.00 0.00 O ATOM 0 H GLY A 90 -4.252 -9.935 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.251 -8.930 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.508 -8.755 6.108 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.605 -6.478 5.182 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.723 -5.228 4.450 1.00 0.00 C ATOM 1306 C GLU A 91 -4.144 -4.075 5.271 1.00 0.00 C ATOM 1307 O GLU A 91 -3.835 -4.242 6.450 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.178 -4.953 4.066 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.964 -4.403 5.258 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.086 -2.880 5.178 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.801 -2.415 4.263 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.463 -2.214 6.033 1.00 0.00 O ATOM 0 H GLU A 91 -4.623 -6.381 6.197 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.149 -5.314 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.212 -4.240 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.644 -5.872 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.958 -4.850 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.467 -4.683 6.187 1.00 0.00 H new ATOM 1319 N ALA A 92 -4.016 -2.930 4.617 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.480 -1.749 5.272 1.00 0.00 C ATOM 1321 C ALA A 92 -3.987 -0.498 4.552 1.00 0.00 C ATOM 1322 O ALA A 92 -4.271 -0.537 3.356 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.952 -1.828 5.298 1.00 0.00 C ATOM 0 H ALA A 92 -4.274 -2.795 3.640 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.821 -1.696 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.550 -0.942 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.643 -2.718 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.573 -1.880 4.277 1.00 0.00 H new ATOM 1329 N THR A 93 -4.085 0.584 5.311 1.00 0.00 N ATOM 1330 CA THR A 93 -4.553 1.845 4.761 1.00 0.00 C ATOM 1331 C THR A 93 -3.416 2.868 4.731 1.00 0.00 C ATOM 1332 O THR A 93 -2.926 3.288 5.778 1.00 0.00 O ATOM 1333 CB THR A 93 -5.760 2.301 5.584 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.765 1.333 5.292 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.351 3.617 5.075 1.00 0.00 C ATOM 0 H THR A 93 -3.848 0.613 6.303 1.00 0.00 H new ATOM 0 HA THR A 93 -4.873 1.731 3.725 1.00 0.00 H new ATOM 0 HB THR A 93 -5.466 2.414 6.628 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.583 1.551 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.204 3.896 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.594 4.400 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.676 3.494 4.042 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.030 3.240 3.520 1.00 0.00 N ATOM 1344 CA ILE A 94 -1.960 4.207 3.339 1.00 0.00 C ATOM 1345 C ILE A 94 -2.547 5.521 2.821 1.00 0.00 C ATOM 1346 O ILE A 94 -2.819 5.656 1.629 1.00 0.00 O ATOM 1347 CB ILE A 94 -0.861 3.629 2.445 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.296 2.336 3.036 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.233 4.665 2.182 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.426 1.177 2.045 1.00 0.00 C ATOM 0 H ILE A 94 -3.439 2.889 2.654 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.480 4.427 4.293 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.303 3.376 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.752 2.479 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.824 2.092 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.002 4.229 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.200 5.534 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.678 4.972 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.017 0.270 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.477 1.021 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.124 1.414 1.134 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.732 6.480 3.767 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.282 7.779 3.418 1.00 0.00 C ATOM 1364 C PRO A 95 -2.242 8.640 2.698 1.00 0.00 C ATOM 1365 O PRO A 95 -1.077 8.670 3.090 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.739 8.380 4.737 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.012 7.604 5.823 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.422 6.355 5.188 1.00 0.00 C ATOM 0 HA PRO A 95 -4.114 7.708 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.497 9.442 4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.819 8.294 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.226 8.214 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.699 7.336 6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.346 6.296 5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.860 5.451 5.611 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.701 9.319 1.657 1.00 0.00 N ATOM 1377 CA LEU A 96 -1.826 10.178 0.878 1.00 0.00 C ATOM 1378 C LEU A 96 -2.007 11.628 1.331 1.00 0.00 C ATOM 1379 O LEU A 96 -1.581 12.555 0.643 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.061 9.967 -0.619 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.407 8.540 -1.049 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.061 8.527 -2.432 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.174 7.635 -0.990 1.00 0.00 C ATOM 0 H LEU A 96 -3.668 9.291 1.335 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.782 9.917 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.869 10.627 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.165 10.280 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.135 8.139 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.297 7.501 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.978 9.116 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.375 8.955 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.448 6.627 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.405 8.024 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.790 7.609 0.030 1.00 0.00 H new ATOM 1395 N GLU A 97 -2.639 11.780 2.485 1.00 0.00 N ATOM 1396 CA GLU A 97 -2.881 13.102 3.038 1.00 0.00 C ATOM 1397 C GLU A 97 -1.585 13.687 3.601 1.00 0.00 C ATOM 1398 O GLU A 97 -1.379 14.899 3.562 1.00 0.00 O ATOM 1399 CB GLU A 97 -3.974 13.057 4.108 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.006 14.163 3.884 1.00 0.00 C ATOM 1401 CD GLU A 97 -5.777 14.463 5.172 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.118 14.902 6.139 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.008 14.245 5.160 1.00 0.00 O ATOM 0 H GLU A 97 -2.991 11.009 3.053 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.231 13.752 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.467 12.085 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.526 13.167 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.506 15.067 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.702 13.863 3.101 1.00 0.00 H new ATOM 1410 N PRO A 98 -0.723 12.776 4.126 1.00 0.00 N ATOM 1411 CA PRO A 98 0.547 13.190 4.697 1.00 0.00 C ATOM 1412 C PRO A 98 1.548 13.556 3.600 1.00 0.00 C ATOM 1413 O PRO A 98 2.461 14.348 3.827 1.00 0.00 O ATOM 1414 CB PRO A 98 1.000 12.012 5.545 1.00 0.00 C ATOM 1415 CG PRO A 98 0.205 10.813 5.051 1.00 0.00 C ATOM 1416 CD PRO A 98 -0.934 11.333 4.189 1.00 0.00 C ATOM 0 HA PRO A 98 0.461 14.091 5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.071 11.842 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.812 12.197 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.843 10.142 4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.184 10.240 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.914 10.886 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.903 11.093 4.627 1.00 0.00 H new ATOM 1424 N VAL A 99 1.343 12.962 2.433 1.00 0.00 N ATOM 1425 CA VAL A 99 2.216 13.216 1.300 1.00 0.00 C ATOM 1426 C VAL A 99 1.666 14.392 0.491 1.00 0.00 C ATOM 1427 O VAL A 99 2.417 15.087 -0.191 1.00 0.00 O ATOM 1428 CB VAL A 99 2.378 11.942 0.468 1.00 0.00 C ATOM 1429 CG1 VAL A 99 3.781 11.354 0.633 1.00 0.00 C ATOM 1430 CG2 VAL A 99 1.306 10.912 0.829 1.00 0.00 C ATOM 0 H VAL A 99 0.585 12.305 2.248 1.00 0.00 H new ATOM 0 HA VAL A 99 3.213 13.494 1.641 1.00 0.00 H new ATOM 0 HB VAL A 99 2.248 12.208 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.869 10.449 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.522 12.083 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.952 11.110 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.444 10.016 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.391 10.653 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.319 11.332 0.637 1.00 0.00 H new ATOM 1440 N PHE A 100 0.358 14.579 0.594 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.302 15.659 -0.119 1.00 0.00 C ATOM 1442 C PHE A 100 0.104 17.020 0.450 1.00 0.00 C ATOM 1443 O PHE A 100 0.125 18.017 -0.271 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.808 15.468 0.072 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.423 14.411 -0.847 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.627 13.690 -1.683 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.765 14.192 -0.830 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.198 12.710 -2.536 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.335 13.212 -1.684 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.540 12.491 -2.519 1.00 0.00 C ATOM 0 H PHE A 100 -0.262 14.000 1.161 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.020 15.636 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.000 15.190 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.309 16.420 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.561 13.864 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.397 14.764 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.566 12.138 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.401 13.039 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.974 11.745 -3.168 1.00 0.00 H new ATOM 1460 N VAL A 101 0.416 17.018 1.737 1.00 0.00 N ATOM 1461 CA VAL A 101 0.820 18.241 2.411 1.00 0.00 C ATOM 1462 C VAL A 101 2.347 18.322 2.439 1.00 0.00 C ATOM 1463 O VAL A 101 2.924 19.355 2.101 1.00 0.00 O ATOM 1464 CB VAL A 101 0.192 18.301 3.805 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.275 17.871 3.765 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.986 17.452 4.801 1.00 0.00 C ATOM 0 H VAL A 101 0.397 16.189 2.332 1.00 0.00 H new ATOM 0 HA VAL A 101 0.459 19.114 1.868 1.00 0.00 H new ATOM 0 HB VAL A 101 0.228 19.336 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.697 17.923 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.831 18.535 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.344 16.848 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.519 17.512 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.997 16.414 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.009 17.824 4.862 1.00 0.00 H new ATOM 1476 N GLU A 102 2.960 17.219 2.844 1.00 0.00 N ATOM 1477 CA GLU A 102 4.409 17.153 2.920 1.00 0.00 C ATOM 1478 C GLU A 102 5.012 17.097 1.515 1.00 0.00 C ATOM 1479 O GLU A 102 6.005 17.767 1.234 1.00 0.00 O ATOM 1480 CB GLU A 102 4.860 15.955 3.758 1.00 0.00 C ATOM 1481 CG GLU A 102 4.369 16.081 5.202 1.00 0.00 C ATOM 1482 CD GLU A 102 5.537 16.332 6.158 1.00 0.00 C ATOM 1483 OE1 GLU A 102 6.134 15.327 6.600 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.806 17.523 6.424 1.00 0.00 O ATOM 0 H GLU A 102 2.479 16.364 3.123 1.00 0.00 H new ATOM 0 HA GLU A 102 4.769 18.056 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.477 15.034 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.948 15.886 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.652 16.898 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.846 15.170 5.493 1.00 0.00 H new ATOM 1491 N GLY A 103 4.387 16.291 0.669 1.00 0.00 N ATOM 1492 CA GLY A 103 4.850 16.139 -0.700 1.00 0.00 C ATOM 1493 C GLY A 103 5.735 14.900 -0.845 1.00 0.00 C ATOM 1494 O GLY A 103 6.058 14.489 -1.959 1.00 0.00 O ATOM 0 H GLY A 103 3.564 15.736 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.994 16.059 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.408 17.026 -1.000 1.00 0.00 H new ATOM 1498 N SER A 104 6.103 14.338 0.297 1.00 0.00 N ATOM 1499 CA SER A 104 6.945 13.153 0.311 1.00 0.00 C ATOM 1500 C SER A 104 6.982 12.555 1.719 1.00 0.00 C ATOM 1501 O SER A 104 7.288 13.251 2.685 1.00 0.00 O ATOM 1502 CB SER A 104 8.362 13.479 -0.165 1.00 0.00 C ATOM 1503 OG SER A 104 8.911 14.600 0.522 1.00 0.00 O ATOM 0 H SER A 104 5.834 14.681 1.219 1.00 0.00 H new ATOM 0 HA SER A 104 6.519 12.422 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.004 12.611 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.347 13.682 -1.236 1.00 0.00 H new ATOM 0 HG SER A 104 8.726 14.519 1.481 1.00 0.00 H new ATOM 1509 N ILE A 105 6.666 11.270 1.789 1.00 0.00 N ATOM 1510 CA ILE A 105 6.659 10.570 3.063 1.00 0.00 C ATOM 1511 C ILE A 105 7.539 9.322 2.958 1.00 0.00 C ATOM 1512 O ILE A 105 7.536 8.640 1.935 1.00 0.00 O ATOM 1513 CB ILE A 105 5.225 10.275 3.505 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.386 11.555 3.534 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.204 9.546 4.849 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.500 12.254 4.890 1.00 0.00 C ATOM 0 H ILE A 105 6.413 10.696 0.985 1.00 0.00 H new ATOM 0 HA ILE A 105 7.086 11.198 3.845 1.00 0.00 H new ATOM 0 HB ILE A 105 4.772 9.609 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.717 12.229 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.342 11.315 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.172 9.349 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.743 8.603 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.682 10.166 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.895 13.160 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.145 11.586 5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.541 12.515 5.079 1.00 0.00 H new ATOM 1528 N PRO A 106 8.290 9.055 4.060 1.00 0.00 N ATOM 1529 CA PRO A 106 9.172 7.901 4.102 1.00 0.00 C ATOM 1530 C PRO A 106 8.376 6.608 4.288 1.00 0.00 C ATOM 1531 O PRO A 106 7.177 6.647 4.558 1.00 0.00 O ATOM 1532 CB PRO A 106 10.129 8.180 5.250 1.00 0.00 C ATOM 1533 CG PRO A 106 9.462 9.249 6.099 1.00 0.00 C ATOM 1534 CD PRO A 106 8.319 9.840 5.290 1.00 0.00 C ATOM 0 HA PRO A 106 9.719 7.755 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.313 7.277 5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.095 8.523 4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 106 9.090 8.820 7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.179 10.024 6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.374 9.767 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.487 10.897 5.081 1.00 0.00 H new ATOM 1542 N PRO A 107 9.094 5.463 4.132 1.00 0.00 N ATOM 1543 CA PRO A 107 8.467 4.161 4.280 1.00 0.00 C ATOM 1544 C PRO A 107 8.211 3.840 5.754 1.00 0.00 C ATOM 1545 O PRO A 107 9.150 3.635 6.521 1.00 0.00 O ATOM 1546 CB PRO A 107 9.427 3.185 3.618 1.00 0.00 C ATOM 1547 CG PRO A 107 10.763 3.905 3.538 1.00 0.00 C ATOM 1548 CD PRO A 107 10.516 5.379 3.812 1.00 0.00 C ATOM 0 HA PRO A 107 7.484 4.112 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.512 2.266 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.075 2.903 2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.462 3.494 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.211 3.770 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.130 5.736 4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.763 5.990 2.944 1.00 0.00 H new ATOM 1556 N THR A 108 6.934 3.807 6.106 1.00 0.00 N ATOM 1557 CA THR A 108 6.542 3.515 7.474 1.00 0.00 C ATOM 1558 C THR A 108 5.681 2.251 7.524 1.00 0.00 C ATOM 1559 O THR A 108 4.857 2.021 6.640 1.00 0.00 O ATOM 1560 CB THR A 108 5.839 4.751 8.039 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.903 5.562 8.528 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.008 4.434 9.284 1.00 0.00 C ATOM 0 H THR A 108 6.157 3.978 5.467 1.00 0.00 H new ATOM 0 HA THR A 108 7.411 3.304 8.097 1.00 0.00 H new ATOM 0 HB THR A 108 5.195 5.184 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.537 6.386 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.531 5.345 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.244 3.698 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.657 4.032 10.062 1.00 0.00 H new ATOM 1570 N ALA A 109 5.902 1.464 8.567 1.00 0.00 N ATOM 1571 CA ALA A 109 5.157 0.229 8.743 1.00 0.00 C ATOM 1572 C ALA A 109 3.711 0.560 9.119 1.00 0.00 C ATOM 1573 O ALA A 109 3.421 0.866 10.274 1.00 0.00 O ATOM 1574 CB ALA A 109 5.849 -0.639 9.796 1.00 0.00 C ATOM 0 H ALA A 109 6.586 1.658 9.298 1.00 0.00 H new ATOM 0 HA ALA A 109 5.134 -0.341 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.290 -1.565 9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.863 -0.870 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.888 -0.101 10.743 1.00 0.00 H new ATOM 1580 N TYR A 110 2.842 0.486 8.121 1.00 0.00 N ATOM 1581 CA TYR A 110 1.434 0.774 8.332 1.00 0.00 C ATOM 1582 C TYR A 110 0.715 -0.427 8.949 1.00 0.00 C ATOM 1583 O TYR A 110 0.912 -1.562 8.516 1.00 0.00 O ATOM 1584 CB TYR A 110 0.847 1.048 6.946 1.00 0.00 C ATOM 1585 CG TYR A 110 1.257 2.397 6.352 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.826 3.570 6.939 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.059 2.442 5.230 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.212 4.839 6.380 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.445 3.712 4.671 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.003 4.848 5.274 1.00 0.00 C ATOM 1591 OH TYR A 110 2.367 6.047 4.746 1.00 0.00 O ATOM 0 H TYR A 110 3.086 0.231 7.164 1.00 0.00 H new ATOM 0 HA TYR A 110 1.313 1.618 9.012 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.159 0.254 6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.240 1.006 7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.199 3.535 7.818 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.397 1.525 4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.881 5.764 6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.071 3.761 3.793 1.00 0.00 H new ATOM 0 HH TYR A 110 2.933 5.900 3.959 1.00 0.00 H new ATOM 1601 N ASN A 111 -0.103 -0.137 9.950 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.853 -1.180 10.630 1.00 0.00 C ATOM 1603 C ASN A 111 -1.558 -2.055 9.592 1.00 0.00 C ATOM 1604 O ASN A 111 -2.346 -1.559 8.789 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.920 -0.581 11.548 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.355 0.588 12.357 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.248 1.051 12.137 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.174 1.036 13.304 1.00 0.00 N ATOM 0 H ASN A 111 -0.263 0.805 10.307 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.153 -1.766 11.226 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.767 -0.240 10.953 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.295 -1.349 12.225 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.888 1.813 13.900 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.088 0.602 13.435 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.248 -3.343 9.642 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.843 -4.292 8.717 1.00 0.00 C ATOM 1617 C VAL A 112 -2.867 -5.151 9.461 1.00 0.00 C ATOM 1618 O VAL A 112 -2.501 -5.967 10.305 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.747 -5.119 8.040 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.331 -6.377 7.393 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.019 -4.280 7.015 1.00 0.00 C ATOM 0 H VAL A 112 -0.593 -3.751 10.309 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.375 -3.769 7.923 1.00 0.00 H new ATOM 0 HB VAL A 112 -0.041 -5.434 8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.532 -6.947 6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.810 -6.990 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.068 -6.091 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.792 -4.891 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.670 -3.921 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.482 -3.429 7.514 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.129 -4.937 9.121 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.209 -5.682 9.746 1.00 0.00 C ATOM 1633 C VAL A 113 -5.836 -6.624 8.717 1.00 0.00 C ATOM 1634 O VAL A 113 -5.522 -6.551 7.530 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.220 -4.716 10.366 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.974 -4.552 11.867 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.192 -3.361 9.655 1.00 0.00 C ATOM 0 H VAL A 113 -4.428 -4.258 8.421 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.827 -6.298 10.560 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.214 -5.143 10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.707 -3.860 12.282 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.069 -5.520 12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.971 -4.159 12.030 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.920 -2.693 10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.196 -2.926 9.740 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.440 -3.497 8.602 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.711 -7.489 9.210 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.385 -8.445 8.347 1.00 0.00 C ATOM 1649 C LYS A 114 -8.782 -8.729 8.902 1.00 0.00 C ATOM 1650 O LYS A 114 -8.949 -9.593 9.761 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.528 -9.700 8.167 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.077 -10.581 7.043 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.943 -11.711 7.605 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.389 -12.664 6.494 1.00 0.00 C ATOM 1655 NZ LYS A 114 -8.039 -14.060 6.838 1.00 0.00 N ATOM 0 H LYS A 114 -6.969 -7.548 10.195 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.517 -8.030 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.501 -9.414 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.504 -10.265 9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.666 -9.974 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.251 -11.002 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.382 -12.263 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.818 -11.291 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.465 -12.579 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.913 -12.384 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.348 -14.694 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.009 -14.140 6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.513 -14.329 7.724 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.750 -7.985 8.388 1.00 0.00 N ATOM 1670 CA ASP A 115 -11.128 -8.146 8.821 1.00 0.00 C ATOM 1671 C ASP A 115 -11.368 -7.294 10.069 1.00 0.00 C ATOM 1672 O ASP A 115 -12.495 -6.876 10.332 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.426 -9.603 9.178 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.894 -10.015 9.042 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.745 -9.259 9.559 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.131 -11.075 8.425 1.00 0.00 O ATOM 0 H ASP A 115 -9.608 -7.269 7.676 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.778 -7.836 8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.822 -10.248 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.108 -9.782 10.205 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.291 -7.064 10.805 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.371 -6.270 12.020 1.00 0.00 C ATOM 1683 C GLU A 116 -9.193 -6.591 12.942 1.00 0.00 C ATOM 1684 O GLU A 116 -8.840 -5.790 13.806 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.705 -6.494 12.735 1.00 0.00 C ATOM 1686 CG GLU A 116 -12.048 -7.984 12.801 1.00 0.00 C ATOM 1687 CD GLU A 116 -12.680 -8.342 14.147 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -11.934 -8.316 15.149 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -13.896 -8.634 14.144 1.00 0.00 O ATOM 0 H GLU A 116 -9.358 -7.413 10.584 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.316 -5.216 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.655 -6.084 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.497 -5.958 12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.735 -8.239 11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.145 -8.576 12.650 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.618 -7.765 12.728 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.488 -8.202 13.529 1.00 0.00 C ATOM 1698 C GLU A 117 -6.180 -7.673 12.936 1.00 0.00 C ATOM 1699 O GLU A 117 -6.086 -7.454 11.730 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.458 -9.727 13.649 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.748 -10.170 15.084 1.00 0.00 C ATOM 1702 CD GLU A 117 -6.813 -9.471 16.074 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -5.608 -9.802 16.046 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -7.325 -8.622 16.835 1.00 0.00 O ATOM 0 H GLU A 117 -8.914 -8.427 12.011 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.600 -7.793 14.533 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.195 -10.163 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.482 -10.101 13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.784 -9.944 15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.628 -11.250 15.166 1.00 0.00 H new ATOM 1711 N TYR A 118 -5.205 -7.482 13.812 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.907 -6.983 13.391 1.00 0.00 C ATOM 1713 C TYR A 118 -2.975 -8.134 13.008 1.00 0.00 C ATOM 1714 O TYR A 118 -2.664 -8.988 13.837 1.00 0.00 O ATOM 1715 CB TYR A 118 -3.324 -6.250 14.601 1.00 0.00 C ATOM 1716 CG TYR A 118 -2.028 -5.492 14.304 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -2.072 -4.290 13.628 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.817 -6.011 14.712 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.852 -3.576 13.349 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.403 -5.298 14.433 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.325 -4.116 13.765 1.00 0.00 C ATOM 1722 OH TYR A 118 1.476 -3.442 13.502 1.00 0.00 O ATOM 0 H TYR A 118 -5.288 -7.664 14.812 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.009 -6.336 12.520 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.066 -5.547 14.979 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.136 -6.973 15.395 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.020 -3.884 13.308 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.784 -6.952 15.241 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.872 -2.634 12.822 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.358 -5.693 14.747 1.00 0.00 H new ATOM 0 HH TYR A 118 2.238 -3.945 13.858 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.554 -8.119 11.751 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.664 -9.151 11.248 1.00 0.00 C ATOM 1734 C LYS A 119 -0.213 -8.718 11.468 1.00 0.00 C ATOM 1735 O LYS A 119 0.582 -9.464 12.038 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.993 -9.479 9.791 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.472 -9.835 9.630 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.824 -11.093 10.425 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.685 -10.750 11.642 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.439 -11.712 12.740 1.00 0.00 N ATOM 0 H LYS A 119 -2.813 -7.408 11.067 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.808 -10.080 11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.750 -8.625 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.376 -10.312 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.089 -9.002 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.699 -9.992 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.357 -11.795 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.910 -11.590 10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.460 -9.738 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.739 -10.767 11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.337 -11.932 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.030 -12.586 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.777 -11.295 13.425 1.00 0.00 H new ATOM 1754 N GLY A 120 0.089 -7.514 11.005 1.00 0.00 N ATOM 1755 CA GLY A 120 1.430 -6.972 11.144 1.00 0.00 C ATOM 1756 C GLY A 120 1.483 -5.515 10.682 1.00 0.00 C ATOM 1757 O GLY A 120 0.607 -4.720 11.019 1.00 0.00 O ATOM 0 H GLY A 120 -0.573 -6.898 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.747 -7.039 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.130 -7.569 10.559 1.00 0.00 H new ATOM 1761 N GLU A 121 2.521 -5.207 9.918 1.00 0.00 N ATOM 1762 CA GLU A 121 2.700 -3.859 9.406 1.00 0.00 C ATOM 1763 C GLU A 121 3.290 -3.901 7.995 1.00 0.00 C ATOM 1764 O GLU A 121 4.063 -4.800 7.668 1.00 0.00 O ATOM 1765 CB GLU A 121 3.579 -3.029 10.344 1.00 0.00 C ATOM 1766 CG GLU A 121 4.893 -3.753 10.647 1.00 0.00 C ATOM 1767 CD GLU A 121 5.566 -3.169 11.890 1.00 0.00 C ATOM 1768 OE1 GLU A 121 4.822 -2.858 12.846 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.810 -3.045 11.858 1.00 0.00 O ATOM 0 H GLU A 121 3.247 -5.868 9.641 1.00 0.00 H new ATOM 0 HA GLU A 121 1.723 -3.377 9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.789 -2.061 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.044 -2.835 11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.701 -4.815 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.564 -3.669 9.792 1.00 0.00 H new ATOM 1776 N ILE A 122 2.903 -2.917 7.197 1.00 0.00 N ATOM 1777 CA ILE A 122 3.384 -2.830 5.829 1.00 0.00 C ATOM 1778 C ILE A 122 4.130 -1.508 5.638 1.00 0.00 C ATOM 1779 O ILE A 122 3.566 -0.436 5.856 1.00 0.00 O ATOM 1780 CB ILE A 122 2.233 -3.035 4.842 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.746 -3.072 3.401 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.148 -1.975 5.037 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.591 -3.238 2.411 1.00 0.00 C ATOM 0 H ILE A 122 2.262 -2.173 7.472 1.00 0.00 H new ATOM 0 HA ILE A 122 4.095 -3.630 5.624 1.00 0.00 H new ATOM 0 HB ILE A 122 1.777 -4.004 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.289 -2.153 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.451 -3.895 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.342 -2.144 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.754 -2.040 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.574 -0.985 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.984 -3.261 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.065 -4.170 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.900 -2.401 2.514 1.00 0.00 H new ATOM 1795 N TRP A 123 5.385 -1.626 5.232 1.00 0.00 N ATOM 1796 CA TRP A 123 6.213 -0.453 5.009 1.00 0.00 C ATOM 1797 C TRP A 123 5.930 0.065 3.597 1.00 0.00 C ATOM 1798 O TRP A 123 6.057 -0.676 2.623 1.00 0.00 O ATOM 1799 CB TRP A 123 7.691 -0.773 5.243 1.00 0.00 C ATOM 1800 CG TRP A 123 8.036 -1.091 6.699 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.607 -2.121 7.442 1.00 0.00 C ATOM 1802 CD2 TRP A 123 8.905 -0.329 7.563 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.134 -2.078 8.717 1.00 0.00 N ATOM 1804 CE2 TRP A 123 8.948 -0.954 8.793 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.631 0.849 7.314 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.703 -0.475 9.870 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.380 1.315 8.401 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.434 0.698 9.645 1.00 0.00 C ATOM 0 H TRP A 123 5.849 -2.516 5.051 1.00 0.00 H new ATOM 0 HA TRP A 123 5.968 0.333 5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.971 -1.622 4.620 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.292 0.075 4.915 1.00 0.00 H new ATOM 0 HD1 TRP A 123 6.934 -2.888 7.088 1.00 0.00 H new ATOM 0 HE1 TRP A 123 7.958 -2.748 9.466 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.612 1.354 6.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.721 -0.983 10.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.957 2.218 8.263 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.037 1.121 10.435 1.00 0.00 H new ATOM 1819 N VAL A 124 5.551 1.333 3.531 1.00 0.00 N ATOM 1820 CA VAL A 124 5.249 1.958 2.255 1.00 0.00 C ATOM 1821 C VAL A 124 5.536 3.458 2.346 1.00 0.00 C ATOM 1822 O VAL A 124 5.164 4.107 3.322 1.00 0.00 O ATOM 1823 CB VAL A 124 3.806 1.649 1.850 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.565 1.989 0.377 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.456 0.188 2.140 1.00 0.00 C ATOM 0 H VAL A 124 5.446 1.944 4.341 1.00 0.00 H new ATOM 0 HA VAL A 124 5.887 1.552 1.470 1.00 0.00 H new ATOM 0 HB VAL A 124 3.148 2.277 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.532 1.760 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.754 3.050 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.237 1.400 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.425 -0.005 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.124 -0.465 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.569 -0.009 3.206 1.00 0.00 H new ATOM 1835 N ALA A 125 6.197 3.965 1.315 1.00 0.00 N ATOM 1836 CA ALA A 125 6.538 5.377 1.267 1.00 0.00 C ATOM 1837 C ALA A 125 5.840 6.025 0.070 1.00 0.00 C ATOM 1838 O ALA A 125 5.854 5.479 -1.032 1.00 0.00 O ATOM 1839 CB ALA A 125 8.059 5.532 1.209 1.00 0.00 C ATOM 0 H ALA A 125 6.505 3.424 0.507 1.00 0.00 H new ATOM 0 HA ALA A 125 6.192 5.887 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.316 6.591 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.505 5.080 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.442 5.035 0.317 1.00 0.00 H new ATOM 1845 N LEU A 126 5.246 7.181 0.327 1.00 0.00 N ATOM 1846 CA LEU A 126 4.543 7.910 -0.716 1.00 0.00 C ATOM 1847 C LEU A 126 5.377 9.122 -1.135 1.00 0.00 C ATOM 1848 O LEU A 126 6.268 9.550 -0.403 1.00 0.00 O ATOM 1849 CB LEU A 126 3.127 8.265 -0.259 1.00 0.00 C ATOM 1850 CG LEU A 126 2.317 7.126 0.364 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.374 7.653 1.448 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.570 6.334 -0.710 1.00 0.00 C ATOM 0 H LEU A 126 5.237 7.631 1.242 1.00 0.00 H new ATOM 0 HA LEU A 126 4.420 7.286 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.193 9.076 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.575 8.649 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 126 3.010 6.438 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.810 6.823 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.956 8.138 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.683 8.374 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.002 5.531 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.888 6.997 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.286 5.909 -1.413 1.00 0.00 H new ATOM 1864 N SER A 127 5.058 9.641 -2.311 1.00 0.00 N ATOM 1865 CA SER A 127 5.766 10.796 -2.837 1.00 0.00 C ATOM 1866 C SER A 127 4.843 11.606 -3.749 1.00 0.00 C ATOM 1867 O SER A 127 4.980 11.564 -4.971 1.00 0.00 O ATOM 1868 CB SER A 127 7.025 10.371 -3.596 1.00 0.00 C ATOM 1869 OG SER A 127 8.204 10.945 -3.039 1.00 0.00 O ATOM 0 H SER A 127 4.318 9.283 -2.915 1.00 0.00 H new ATOM 0 HA SER A 127 6.074 11.420 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.108 9.284 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.936 10.668 -4.641 1.00 0.00 H new ATOM 0 HG SER A 127 8.985 10.648 -3.550 1.00 0.00 H new ATOM 1875 N PHE A 128 3.923 12.323 -3.121 1.00 0.00 N ATOM 1876 CA PHE A 128 2.978 13.141 -3.862 1.00 0.00 C ATOM 1877 C PHE A 128 3.706 14.124 -4.781 1.00 0.00 C ATOM 1878 O PHE A 128 4.871 14.446 -4.553 1.00 0.00 O ATOM 1879 CB PHE A 128 2.167 13.930 -2.832 1.00 0.00 C ATOM 1880 CG PHE A 128 0.982 14.695 -3.426 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.007 14.024 -4.095 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.905 16.045 -3.285 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -1.092 14.734 -4.647 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.194 16.755 -3.837 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.170 16.085 -4.506 1.00 0.00 C ATOM 0 H PHE A 128 3.812 12.355 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 128 2.344 12.508 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.798 13.242 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.827 14.637 -2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.068 12.952 -4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.680 16.577 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.866 14.201 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.255 17.828 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 128 -2.006 16.625 -4.925 1.00 0.00 H new ATOM 1895 N LYS A 129 2.988 14.572 -5.801 1.00 0.00 N ATOM 1896 CA LYS A 129 3.551 15.512 -6.756 1.00 0.00 C ATOM 1897 C LYS A 129 2.480 16.529 -7.156 1.00 0.00 C ATOM 1898 O LYS A 129 1.731 16.305 -8.105 1.00 0.00 O ATOM 1899 CB LYS A 129 4.166 14.766 -7.942 1.00 0.00 C ATOM 1900 CG LYS A 129 5.556 14.232 -7.594 1.00 0.00 C ATOM 1901 CD LYS A 129 6.056 13.263 -8.667 1.00 0.00 C ATOM 1902 CE LYS A 129 5.323 11.924 -8.581 1.00 0.00 C ATOM 1903 NZ LYS A 129 5.252 11.285 -9.914 1.00 0.00 N ATOM 0 H LYS A 129 2.022 14.302 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 129 4.369 16.072 -6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.517 13.939 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.234 15.434 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.254 15.063 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.524 13.726 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.907 13.700 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.128 13.103 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 129 5.838 11.265 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.317 12.078 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.751 10.377 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.740 11.908 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.215 11.120 -10.272 1.00 0.00 H new ATOM 1917 N PRO A 130 2.442 17.653 -6.392 1.00 0.00 N ATOM 1918 CA PRO A 130 1.475 18.705 -6.658 1.00 0.00 C ATOM 1919 C PRO A 130 1.872 19.516 -7.893 1.00 0.00 C ATOM 1920 O PRO A 130 3.056 19.747 -8.134 1.00 0.00 O ATOM 1921 CB PRO A 130 1.441 19.538 -5.387 1.00 0.00 C ATOM 1922 CG PRO A 130 2.719 19.203 -4.634 1.00 0.00 C ATOM 1923 CD PRO A 130 3.314 17.952 -5.260 1.00 0.00 C ATOM 0 HA PRO A 130 0.484 18.316 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.392 20.602 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.561 19.301 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.425 20.032 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.508 19.038 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.340 18.122 -5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.337 17.126 -4.549 1.00 0.00 H new ATOM 1931 N SER A 131 0.860 19.926 -8.643 1.00 0.00 N ATOM 1932 CA SER A 131 1.089 20.706 -9.847 1.00 0.00 C ATOM 1933 C SER A 131 1.473 22.140 -9.477 1.00 0.00 C ATOM 1934 O SER A 131 0.810 23.091 -9.890 1.00 0.00 O ATOM 1935 CB SER A 131 -0.148 20.704 -10.748 1.00 0.00 C ATOM 1936 OG SER A 131 -0.520 19.386 -11.141 1.00 0.00 O ATOM 0 H SER A 131 -0.121 19.733 -8.440 1.00 0.00 H new ATOM 0 HA SER A 131 1.909 20.248 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.980 21.174 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.049 21.305 -11.636 1.00 0.00 H new ATOM 0 HG SER A 131 -1.314 19.427 -11.713 1.00 0.00 H new