USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot -58:sc= -0.343 USER MOD Set 1.2: A 120 HIS : no HE2:sc= -1.56! C(o=-1.9!,f=-16!) USER MOD Set 2.1: A 67 MET CE :methyl 180:sc= -0.515 (180deg=-0.515) USER MOD Set 2.2: A 90 SER OG : rot -130:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 110:sc= 1.28 USER MOD Single : A 45 TYR OH : rot 63:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= 1.29 (180deg=-0.494) USER MOD Single : A 53 MET CE :methyl -167:sc= -0.717 (180deg=-1.21) USER MOD Single : A 58 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.67) USER MOD Single : A 65 MET CE :methyl -155:sc= -0.363 (180deg=-1.12) USER MOD Single : A 70 SER OG : rot -63:sc= 1.73 USER MOD Single : A 72 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 83:sc= 0.843 USER MOD Single : A 95 TYR OH : rot 166:sc= 1.27 USER MOD Single : A 107 GLN : amide:sc= -0.713 K(o=-0.71,f=-5.9!) USER MOD Single : A 112 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.24) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -2.95! C(o=-7.9!,f=-2.9!) USER MOD Single : A 124 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00531) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.794 -11.371 0.943 1.00 0.00 N ATOM 101 CA LEU A 36 2.434 -11.229 0.457 1.00 0.00 C ATOM 102 C LEU A 36 2.246 -9.911 -0.306 1.00 0.00 C ATOM 103 O LEU A 36 3.192 -9.151 -0.541 1.00 0.00 O ATOM 104 CB LEU A 36 1.437 -11.407 1.619 1.00 0.00 C ATOM 105 CG LEU A 36 1.410 -10.359 2.742 1.00 0.00 C ATOM 106 CD1 LEU A 36 2.710 -10.220 3.506 1.00 0.00 C ATOM 107 CD2 LEU A 36 1.008 -8.950 2.309 1.00 0.00 C ATOM 0 HA LEU A 36 2.229 -12.018 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.436 -11.456 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.635 -12.376 2.077 1.00 0.00 H new ATOM 0 HG LEU A 36 0.636 -10.778 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.599 -9.459 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.963 -11.173 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.505 -9.928 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.020 -8.286 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.712 -8.584 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.005 -8.973 1.883 1.00 0.00 H new ATOM 119 N PHE A 37 1.003 -9.676 -0.719 1.00 0.00 N ATOM 120 CA PHE A 37 0.414 -8.486 -1.337 1.00 0.00 C ATOM 121 C PHE A 37 -1.111 -8.732 -1.370 1.00 0.00 C ATOM 122 O PHE A 37 -1.534 -9.892 -1.451 1.00 0.00 O ATOM 123 CB PHE A 37 0.979 -8.306 -2.755 1.00 0.00 C ATOM 124 CG PHE A 37 0.749 -6.960 -3.410 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.436 -6.711 -4.121 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.769 -5.984 -3.425 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.588 -5.535 -4.868 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.607 -4.796 -4.161 1.00 0.00 C ATOM 129 CZ PHE A 37 0.440 -4.587 -4.911 1.00 0.00 C ATOM 0 H PHE A 37 0.296 -10.404 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 37 0.645 -7.577 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.053 -8.489 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.546 -9.075 -3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.239 -7.433 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.679 -6.150 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.504 -5.360 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.382 -4.044 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.336 -3.700 -5.518 1.00 0.00 H new ATOM 139 N TYR A 38 -1.929 -7.678 -1.340 1.00 0.00 N ATOM 140 CA TYR A 38 -3.394 -7.691 -1.447 1.00 0.00 C ATOM 141 C TYR A 38 -3.835 -6.509 -2.327 1.00 0.00 C ATOM 142 O TYR A 38 -3.005 -5.659 -2.659 1.00 0.00 O ATOM 143 CB TYR A 38 -4.002 -7.565 -0.040 1.00 0.00 C ATOM 144 CG TYR A 38 -3.745 -8.740 0.886 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.598 -8.735 1.699 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.638 -9.829 0.951 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.298 -9.833 2.524 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.352 -10.919 1.788 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.172 -10.943 2.559 1.00 0.00 C ATOM 150 OH TYR A 38 -2.871 -12.029 3.322 1.00 0.00 O ATOM 0 H TYR A 38 -1.565 -6.731 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.736 -8.623 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.609 -6.662 0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.079 -7.430 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.940 -7.878 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.541 -9.825 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.403 -9.828 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.043 -11.747 1.842 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.580 -12.700 3.231 1.00 0.00 H new ATOM 160 N THR A 39 -5.122 -6.393 -2.672 1.00 0.00 N ATOM 161 CA THR A 39 -5.656 -5.190 -3.312 1.00 0.00 C ATOM 162 C THR A 39 -6.973 -4.741 -2.681 1.00 0.00 C ATOM 163 O THR A 39 -7.505 -5.484 -1.853 1.00 0.00 O ATOM 164 CB THR A 39 -5.764 -5.371 -4.857 1.00 0.00 C ATOM 165 OG1 THR A 39 -6.774 -6.300 -5.204 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.476 -5.870 -5.519 1.00 0.00 C ATOM 0 H THR A 39 -5.816 -7.124 -2.516 1.00 0.00 H new ATOM 0 HA THR A 39 -4.946 -4.382 -3.136 1.00 0.00 H new ATOM 0 HB THR A 39 -5.992 -4.369 -5.220 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.521 -5.828 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.634 -5.970 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.672 -5.157 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.204 -6.839 -5.101 1.00 0.00 H new ATOM 174 N PRO A 40 -7.524 -3.560 -3.033 1.00 0.00 N ATOM 175 CA PRO A 40 -8.780 -3.052 -2.491 1.00 0.00 C ATOM 176 C PRO A 40 -10.022 -3.942 -2.639 1.00 0.00 C ATOM 177 O PRO A 40 -11.039 -3.573 -2.063 1.00 0.00 O ATOM 178 CB PRO A 40 -8.984 -1.653 -3.066 1.00 0.00 C ATOM 179 CG PRO A 40 -7.547 -1.192 -3.283 1.00 0.00 C ATOM 180 CD PRO A 40 -6.840 -2.469 -3.719 1.00 0.00 C ATOM 0 HA PRO A 40 -8.675 -3.038 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.552 -1.672 -3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.522 -1.002 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.483 -0.415 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.113 -0.781 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.892 -2.594 -4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.784 -2.441 -3.452 1.00 0.00 H new ATOM 188 N GLY A 41 -9.948 -5.151 -3.214 1.00 0.00 N ATOM 189 CA GLY A 41 -10.914 -6.204 -2.892 1.00 0.00 C ATOM 190 C GLY A 41 -10.393 -7.379 -2.081 1.00 0.00 C ATOM 191 O GLY A 41 -11.190 -7.998 -1.390 1.00 0.00 O ATOM 0 H GLY A 41 -9.238 -5.419 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.741 -5.752 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.323 -6.589 -3.826 1.00 0.00 H new ATOM 195 N GLU A 42 -9.102 -7.704 -2.104 1.00 0.00 N ATOM 196 CA GLU A 42 -8.594 -8.947 -1.518 1.00 0.00 C ATOM 197 C GLU A 42 -8.715 -8.961 0.018 1.00 0.00 C ATOM 198 O GLU A 42 -8.517 -9.999 0.647 1.00 0.00 O ATOM 199 CB GLU A 42 -7.122 -9.159 -1.899 1.00 0.00 C ATOM 200 CG GLU A 42 -6.788 -9.274 -3.391 1.00 0.00 C ATOM 201 CD GLU A 42 -7.014 -10.669 -3.955 1.00 0.00 C ATOM 202 OE1 GLU A 42 -6.141 -11.542 -3.714 1.00 0.00 O ATOM 203 OE2 GLU A 42 -8.001 -10.876 -4.680 1.00 0.00 O ATOM 0 H GLU A 42 -8.381 -7.119 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.208 -9.754 -1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.545 -8.331 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.774 -10.066 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.397 -8.562 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.746 -8.992 -3.545 1.00 0.00 H new ATOM 210 N ILE A 43 -8.992 -7.806 0.628 1.00 0.00 N ATOM 211 CA ILE A 43 -9.135 -7.586 2.056 1.00 0.00 C ATOM 212 C ILE A 43 -10.634 -7.402 2.405 1.00 0.00 C ATOM 213 O ILE A 43 -11.029 -7.669 3.539 1.00 0.00 O ATOM 214 CB ILE A 43 -8.240 -6.379 2.462 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.810 -6.429 1.835 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.195 -6.262 3.993 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.798 -5.517 2.539 1.00 0.00 C ATOM 0 H ILE A 43 -9.130 -6.947 0.095 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.795 -8.446 2.632 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.695 -5.478 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.444 -7.455 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.873 -6.145 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.568 -5.416 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.204 -6.109 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.781 -7.177 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.828 -5.604 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.140 -4.484 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.705 -5.814 3.584 1.00 0.00 H new ATOM 229 N LEU A 44 -11.490 -6.990 1.462 1.00 0.00 N ATOM 230 CA LEU A 44 -12.944 -6.907 1.676 1.00 0.00 C ATOM 231 C LEU A 44 -13.619 -8.240 1.360 1.00 0.00 C ATOM 232 O LEU A 44 -14.374 -8.783 2.167 1.00 0.00 O ATOM 233 CB LEU A 44 -13.648 -5.785 0.890 1.00 0.00 C ATOM 234 CG LEU A 44 -12.915 -4.451 0.721 1.00 0.00 C ATOM 235 CD1 LEU A 44 -13.777 -3.469 -0.060 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.497 -3.843 2.051 1.00 0.00 C ATOM 0 H LEU A 44 -11.196 -6.704 0.528 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.053 -6.661 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.876 -6.168 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.600 -5.582 1.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.002 -4.657 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.243 -2.525 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.997 -3.881 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.710 -3.296 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.982 -2.899 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.381 -3.664 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.828 -4.529 2.571 1.00 0.00 H new ATOM 248 N TYR A 45 -13.367 -8.735 0.156 1.00 0.00 N ATOM 249 CA TYR A 45 -14.009 -9.886 -0.454 1.00 0.00 C ATOM 250 C TYR A 45 -13.315 -11.125 0.101 1.00 0.00 C ATOM 251 O TYR A 45 -13.810 -11.761 1.029 1.00 0.00 O ATOM 252 CB TYR A 45 -13.922 -9.777 -1.993 1.00 0.00 C ATOM 253 CG TYR A 45 -14.743 -8.648 -2.600 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.380 -7.295 -2.434 1.00 0.00 C ATOM 255 CD2 TYR A 45 -15.911 -8.958 -3.315 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.224 -6.270 -2.898 1.00 0.00 C ATOM 257 CE2 TYR A 45 -16.762 -7.943 -3.780 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.444 -6.592 -3.534 1.00 0.00 C ATOM 259 OH TYR A 45 -17.329 -5.613 -3.863 1.00 0.00 O ATOM 0 H TYR A 45 -12.666 -8.317 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.072 -9.942 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.878 -9.641 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.249 -10.721 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.449 -7.045 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.158 -9.991 -3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.939 -5.236 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.659 -8.197 -4.325 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.918 -5.006 -4.513 1.00 0.00 H new ATOM 269 N GLY A 46 -12.118 -11.402 -0.406 1.00 0.00 N ATOM 270 CA GLY A 46 -11.256 -12.516 -0.061 1.00 0.00 C ATOM 271 C GLY A 46 -10.080 -12.482 -1.024 1.00 0.00 C ATOM 272 O GLY A 46 -10.172 -11.851 -2.081 1.00 0.00 O ATOM 0 H GLY A 46 -11.699 -10.807 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.913 -12.433 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.794 -13.460 -0.143 1.00 0.00 H new ATOM 276 N LYS A 47 -8.975 -13.150 -0.694 1.00 0.00 N ATOM 277 CA LYS A 47 -7.881 -13.343 -1.636 1.00 0.00 C ATOM 278 C LYS A 47 -8.426 -14.047 -2.873 1.00 0.00 C ATOM 279 O LYS A 47 -9.331 -14.858 -2.736 1.00 0.00 O ATOM 280 CB LYS A 47 -6.780 -14.181 -0.973 1.00 0.00 C ATOM 281 CG LYS A 47 -5.385 -13.964 -1.576 1.00 0.00 C ATOM 282 CD LYS A 47 -4.762 -12.686 -1.031 1.00 0.00 C ATOM 283 CE LYS A 47 -3.407 -12.375 -1.662 1.00 0.00 C ATOM 284 NZ LYS A 47 -3.541 -11.844 -3.033 1.00 0.00 N ATOM 0 H LYS A 47 -8.817 -13.567 0.223 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.453 -12.384 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.747 -13.943 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.041 -15.236 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.745 -14.815 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.457 -13.906 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.441 -11.852 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.643 -12.776 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.877 -11.651 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.801 -13.281 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.092 -12.499 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.549 -11.743 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.077 -10.915 -3.092 1.00 0.00 H new ATOM 385 N MET A 53 -7.307 -14.101 4.142 1.00 0.00 N ATOM 386 CA MET A 53 -7.360 -12.665 4.424 1.00 0.00 C ATOM 387 C MET A 53 -6.098 -12.294 5.225 1.00 0.00 C ATOM 388 O MET A 53 -5.442 -13.190 5.759 1.00 0.00 O ATOM 389 CB MET A 53 -8.650 -12.337 5.192 1.00 0.00 C ATOM 390 CG MET A 53 -9.875 -12.731 4.358 1.00 0.00 C ATOM 391 SD MET A 53 -11.390 -11.830 4.763 1.00 0.00 S ATOM 392 CE MET A 53 -11.383 -10.654 3.383 1.00 0.00 C ATOM 0 HA MET A 53 -7.378 -12.080 3.504 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.661 -12.869 6.143 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.684 -11.272 5.422 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.646 -12.573 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.058 -13.798 4.488 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.108 -9.863 3.575 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.389 -10.219 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.648 -11.173 2.462 1.00 0.00 H new ATOM 402 N PRO A 54 -5.696 -11.015 5.306 1.00 0.00 N ATOM 403 CA PRO A 54 -4.654 -10.610 6.243 1.00 0.00 C ATOM 404 C PRO A 54 -5.218 -10.542 7.669 1.00 0.00 C ATOM 405 O PRO A 54 -6.430 -10.385 7.846 1.00 0.00 O ATOM 406 CB PRO A 54 -4.204 -9.231 5.765 1.00 0.00 C ATOM 407 CG PRO A 54 -5.475 -8.654 5.148 1.00 0.00 C ATOM 408 CD PRO A 54 -6.220 -9.864 4.587 1.00 0.00 C ATOM 0 HA PRO A 54 -3.824 -11.316 6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.840 -8.617 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.396 -9.299 5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.074 -8.131 5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.242 -7.934 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.295 -9.766 4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.054 -9.963 3.514 1.00 0.00 H new ATOM 416 N GLU A 55 -4.341 -10.542 8.673 1.00 0.00 N ATOM 417 CA GLU A 55 -4.696 -10.243 10.052 1.00 0.00 C ATOM 418 C GLU A 55 -4.805 -8.720 10.189 1.00 0.00 C ATOM 419 O GLU A 55 -4.072 -7.962 9.552 1.00 0.00 O ATOM 420 CB GLU A 55 -3.619 -10.807 11.001 1.00 0.00 C ATOM 421 CG GLU A 55 -3.800 -12.315 11.219 1.00 0.00 C ATOM 422 CD GLU A 55 -2.832 -12.935 12.236 1.00 0.00 C ATOM 423 OE1 GLU A 55 -1.778 -12.348 12.573 1.00 0.00 O ATOM 424 OE2 GLU A 55 -3.126 -14.072 12.689 1.00 0.00 O ATOM 0 H GLU A 55 -3.351 -10.753 8.545 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.647 -10.704 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.629 -10.614 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.670 -10.290 11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.822 -12.501 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.677 -12.824 10.263 1.00 0.00 H new ATOM 431 N VAL A 56 -5.732 -8.269 11.026 1.00 0.00 N ATOM 432 CA VAL A 56 -6.098 -6.863 11.196 1.00 0.00 C ATOM 433 C VAL A 56 -5.210 -6.146 12.216 1.00 0.00 C ATOM 434 O VAL A 56 -5.287 -4.932 12.380 1.00 0.00 O ATOM 435 CB VAL A 56 -7.616 -6.800 11.457 1.00 0.00 C ATOM 436 CG1 VAL A 56 -8.066 -7.693 12.620 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.136 -5.376 11.643 1.00 0.00 C ATOM 0 H VAL A 56 -6.270 -8.893 11.628 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.903 -6.293 10.288 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.066 -7.196 10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.144 -7.603 12.752 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.812 -8.730 12.401 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.562 -7.381 13.535 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.211 -5.402 11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.636 -4.915 12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.932 -4.794 10.744 1.00 0.00 H new ATOM 447 N GLY A 57 -4.290 -6.871 12.838 1.00 0.00 N ATOM 448 CA GLY A 57 -3.070 -6.295 13.366 1.00 0.00 C ATOM 449 C GLY A 57 -1.918 -7.111 12.820 1.00 0.00 C ATOM 450 O GLY A 57 -1.350 -7.924 13.555 1.00 0.00 O ATOM 0 H GLY A 57 -4.373 -7.876 12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.977 -5.251 13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.074 -6.316 14.456 1.00 0.00 H new ATOM 454 N GLN A 58 -1.621 -6.978 11.528 1.00 0.00 N ATOM 455 CA GLN A 58 -0.299 -7.317 11.027 1.00 0.00 C ATOM 456 C GLN A 58 0.145 -6.274 10.007 1.00 0.00 C ATOM 457 O GLN A 58 -0.634 -5.411 9.586 1.00 0.00 O ATOM 458 CB GLN A 58 -0.256 -8.749 10.457 1.00 0.00 C ATOM 459 CG GLN A 58 -0.912 -8.893 9.074 1.00 0.00 C ATOM 460 CD GLN A 58 -0.360 -9.996 8.183 1.00 0.00 C ATOM 461 OE1 GLN A 58 0.537 -10.764 8.528 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.880 -10.072 6.972 1.00 0.00 N ATOM 0 H GLN A 58 -2.273 -6.641 10.820 1.00 0.00 H new ATOM 0 HA GLN A 58 0.407 -7.303 11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.783 -9.071 10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.754 -9.422 11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.978 -9.069 9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.813 -7.944 8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.623 -9.431 6.695 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.538 -10.772 6.313 1.00 0.00 H new ATOM 471 N ARG A 59 1.374 -6.433 9.520 1.00 0.00 N ATOM 472 CA ARG A 59 1.849 -5.743 8.334 1.00 0.00 C ATOM 473 C ARG A 59 1.329 -6.450 7.098 1.00 0.00 C ATOM 474 O ARG A 59 1.340 -7.678 7.030 1.00 0.00 O ATOM 475 CB ARG A 59 3.381 -5.636 8.327 1.00 0.00 C ATOM 476 CG ARG A 59 4.090 -6.983 8.505 1.00 0.00 C ATOM 477 CD ARG A 59 5.604 -6.797 8.516 1.00 0.00 C ATOM 478 NE ARG A 59 6.275 -7.972 9.086 1.00 0.00 N ATOM 479 CZ ARG A 59 7.573 -8.012 9.403 1.00 0.00 C ATOM 480 NH1 ARG A 59 8.402 -7.054 9.005 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.036 -9.007 10.140 1.00 0.00 N ATOM 0 H ARG A 59 2.068 -7.049 9.943 1.00 0.00 H new ATOM 0 HA ARG A 59 1.466 -4.723 8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.701 -5.188 7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.694 -4.962 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.769 -7.448 9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.807 -7.658 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.960 -6.628 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.861 -5.910 9.096 1.00 0.00 H new ATOM 0 HE ARG A 59 5.716 -8.809 9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.051 -6.274 8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.390 -7.098 9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.404 -9.739 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.026 -9.043 10.385 1.00 0.00 H new ATOM 495 N LEU A 60 0.905 -5.685 6.099 1.00 0.00 N ATOM 496 CA LEU A 60 0.679 -6.182 4.758 1.00 0.00 C ATOM 497 C LEU A 60 0.967 -5.094 3.736 1.00 0.00 C ATOM 498 O LEU A 60 1.077 -3.918 4.087 1.00 0.00 O ATOM 499 CB LEU A 60 -0.720 -6.809 4.562 1.00 0.00 C ATOM 500 CG LEU A 60 -2.019 -6.145 5.037 1.00 0.00 C ATOM 501 CD1 LEU A 60 -2.156 -6.168 6.542 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.275 -4.730 4.542 1.00 0.00 C ATOM 0 H LEU A 60 0.708 -4.690 6.205 1.00 0.00 H new ATOM 0 HA LEU A 60 1.381 -7.001 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.834 -6.976 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.686 -7.790 5.036 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.780 -6.770 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.091 -5.687 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.157 -7.200 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.319 -5.633 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.222 -4.369 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.468 -4.077 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.320 -4.728 3.453 1.00 0.00 H new ATOM 514 N ARG A 61 1.073 -5.507 2.469 1.00 0.00 N ATOM 515 CA ARG A 61 1.072 -4.645 1.298 1.00 0.00 C ATOM 516 C ARG A 61 -0.321 -4.660 0.689 1.00 0.00 C ATOM 517 O ARG A 61 -0.897 -5.736 0.523 1.00 0.00 O ATOM 518 CB ARG A 61 2.096 -5.134 0.251 1.00 0.00 C ATOM 519 CG ARG A 61 3.377 -4.301 0.307 1.00 0.00 C ATOM 520 CD ARG A 61 4.407 -4.605 -0.779 1.00 0.00 C ATOM 521 NE ARG A 61 4.830 -6.008 -0.769 1.00 0.00 N ATOM 522 CZ ARG A 61 5.416 -6.643 -1.784 1.00 0.00 C ATOM 523 NH1 ARG A 61 5.797 -6.003 -2.883 1.00 0.00 N ATOM 524 NH2 ARG A 61 5.589 -7.955 -1.715 1.00 0.00 N ATOM 0 H ARG A 61 1.165 -6.494 2.229 1.00 0.00 H new ATOM 0 HA ARG A 61 1.349 -3.635 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.332 -6.183 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.660 -5.071 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.107 -3.247 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.845 -4.451 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.985 -4.362 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.278 -3.965 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 61 4.662 -6.542 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.644 -4.998 -2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.243 -6.516 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.275 -8.468 -0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.036 -8.452 -2.486 1.00 0.00 H new ATOM 538 N VAL A 62 -0.815 -3.498 0.283 1.00 0.00 N ATOM 539 CA VAL A 62 -1.913 -3.330 -0.658 1.00 0.00 C ATOM 540 C VAL A 62 -1.331 -2.733 -1.939 1.00 0.00 C ATOM 541 O VAL A 62 -0.315 -2.045 -1.898 1.00 0.00 O ATOM 542 CB VAL A 62 -3.000 -2.440 -0.009 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.100 -1.960 -0.966 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.675 -3.244 1.097 1.00 0.00 C ATOM 0 H VAL A 62 -0.444 -2.608 0.616 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.394 -4.275 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.484 -1.549 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.814 -1.344 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.653 -1.373 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.615 -2.822 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.446 -2.636 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.129 -4.139 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.933 -3.532 1.842 1.00 0.00 H new ATOM 554 N GLY A 63 -2.001 -2.879 -3.076 1.00 0.00 N ATOM 555 CA GLY A 63 -1.847 -1.929 -4.164 1.00 0.00 C ATOM 556 C GLY A 63 -3.178 -1.741 -4.857 1.00 0.00 C ATOM 557 O GLY A 63 -3.913 -2.713 -5.023 1.00 0.00 O ATOM 0 H GLY A 63 -2.651 -3.642 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.486 -0.975 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.102 -2.289 -4.874 1.00 0.00 H new ATOM 561 N GLY A 64 -3.474 -0.519 -5.284 1.00 0.00 N ATOM 562 CA GLY A 64 -4.696 -0.218 -6.018 1.00 0.00 C ATOM 563 C GLY A 64 -4.673 1.199 -6.564 1.00 0.00 C ATOM 564 O GLY A 64 -3.681 1.911 -6.401 1.00 0.00 O ATOM 0 H GLY A 64 -2.873 0.291 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.814 -0.925 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.558 -0.344 -5.362 1.00 0.00 H new ATOM 568 N MET A 65 -5.759 1.617 -7.208 1.00 0.00 N ATOM 569 CA MET A 65 -5.878 2.938 -7.809 1.00 0.00 C ATOM 570 C MET A 65 -6.422 3.934 -6.791 1.00 0.00 C ATOM 571 O MET A 65 -7.513 3.745 -6.265 1.00 0.00 O ATOM 572 CB MET A 65 -6.744 2.822 -9.063 1.00 0.00 C ATOM 573 CG MET A 65 -6.378 3.883 -10.101 1.00 0.00 C ATOM 574 SD MET A 65 -6.962 3.581 -11.790 1.00 0.00 S ATOM 575 CE MET A 65 -6.326 1.905 -12.087 1.00 0.00 C ATOM 0 H MET A 65 -6.591 1.039 -7.328 1.00 0.00 H new ATOM 0 HA MET A 65 -4.903 3.320 -8.110 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.624 1.830 -9.498 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.794 2.926 -8.791 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.775 4.841 -9.767 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.293 3.979 -10.125 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.200 1.748 -13.158 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.364 1.787 -11.588 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.031 1.173 -11.694 1.00 0.00 H new ATOM 585 N VAL A 66 -5.650 4.964 -6.456 1.00 0.00 N ATOM 586 CA VAL A 66 -6.049 6.043 -5.548 1.00 0.00 C ATOM 587 C VAL A 66 -7.371 6.649 -6.039 1.00 0.00 C ATOM 588 O VAL A 66 -7.475 7.027 -7.208 1.00 0.00 O ATOM 589 CB VAL A 66 -4.947 7.118 -5.568 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.266 8.270 -4.609 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.575 6.529 -5.223 1.00 0.00 C ATOM 0 H VAL A 66 -4.703 5.077 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.184 5.664 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.913 7.508 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.466 9.010 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.207 8.736 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.352 7.884 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.824 7.318 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.608 6.090 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.316 5.759 -5.950 1.00 0.00 H new ATOM 601 N MET A 67 -8.374 6.763 -5.171 1.00 0.00 N ATOM 602 CA MET A 67 -9.652 7.370 -5.483 1.00 0.00 C ATOM 603 C MET A 67 -9.515 8.890 -5.653 1.00 0.00 C ATOM 604 O MET A 67 -8.957 9.558 -4.779 1.00 0.00 O ATOM 605 CB MET A 67 -10.645 7.037 -4.360 1.00 0.00 C ATOM 606 CG MET A 67 -11.979 6.718 -5.009 1.00 0.00 C ATOM 607 SD MET A 67 -13.355 6.514 -3.868 1.00 0.00 S ATOM 608 CE MET A 67 -13.398 4.716 -3.776 1.00 0.00 C ATOM 0 H MET A 67 -8.312 6.426 -4.210 1.00 0.00 H new ATOM 0 HA MET A 67 -10.019 6.970 -6.428 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.291 6.188 -3.775 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.744 7.878 -3.674 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.224 7.516 -5.710 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.872 5.803 -5.592 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.199 4.405 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.576 4.305 -4.770 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.445 4.348 -3.397 1.00 0.00 H new ATOM 618 N PRO A 68 -10.012 9.455 -6.760 1.00 0.00 N ATOM 619 CA PRO A 68 -9.997 10.879 -7.019 1.00 0.00 C ATOM 620 C PRO A 68 -11.085 11.585 -6.215 1.00 0.00 C ATOM 621 O PRO A 68 -12.274 11.395 -6.472 1.00 0.00 O ATOM 622 CB PRO A 68 -10.177 11.016 -8.533 1.00 0.00 C ATOM 623 CG PRO A 68 -11.006 9.783 -8.890 1.00 0.00 C ATOM 624 CD PRO A 68 -10.588 8.740 -7.879 1.00 0.00 C ATOM 0 HA PRO A 68 -9.068 11.356 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.692 11.940 -8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.220 11.025 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.074 9.991 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.805 9.451 -9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.444 8.145 -7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.864 8.050 -8.312 1.00 0.00 H new ATOM 632 N GLY A 69 -10.666 12.421 -5.269 1.00 0.00 N ATOM 633 CA GLY A 69 -11.495 13.105 -4.299 1.00 0.00 C ATOM 634 C GLY A 69 -11.251 12.596 -2.883 1.00 0.00 C ATOM 635 O GLY A 69 -12.074 12.877 -2.015 1.00 0.00 O ATOM 0 H GLY A 69 -9.678 12.648 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.293 14.175 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.545 12.968 -4.558 1.00 0.00 H new ATOM 639 N SER A 70 -10.193 11.823 -2.621 1.00 0.00 N ATOM 640 CA SER A 70 -9.954 11.222 -1.311 1.00 0.00 C ATOM 641 C SER A 70 -8.724 11.815 -0.632 1.00 0.00 C ATOM 642 O SER A 70 -8.710 11.940 0.595 1.00 0.00 O ATOM 643 CB SER A 70 -9.846 9.701 -1.440 1.00 0.00 C ATOM 644 OG SER A 70 -8.698 9.284 -2.166 1.00 0.00 O ATOM 0 H SER A 70 -9.479 11.598 -3.314 1.00 0.00 H new ATOM 0 HA SER A 70 -10.806 11.453 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.819 9.259 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.740 9.320 -1.934 1.00 0.00 H new ATOM 0 HG SER A 70 -8.751 9.622 -3.084 1.00 0.00 H new ATOM 650 N VAL A 71 -7.695 12.160 -1.413 1.00 0.00 N ATOM 651 CA VAL A 71 -6.433 12.651 -0.916 1.00 0.00 C ATOM 652 C VAL A 71 -6.646 13.936 -0.111 1.00 0.00 C ATOM 653 O VAL A 71 -7.041 14.974 -0.639 1.00 0.00 O ATOM 654 CB VAL A 71 -5.429 12.821 -2.066 1.00 0.00 C ATOM 655 CG1 VAL A 71 -4.093 13.241 -1.456 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.184 11.525 -2.857 1.00 0.00 C ATOM 0 H VAL A 71 -7.731 12.099 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.000 11.919 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.842 13.558 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.356 13.370 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.218 14.181 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.751 12.471 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.465 11.716 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.790 10.760 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.123 11.180 -3.290 1.00 0.00 H new ATOM 666 N GLN A 72 -6.331 13.869 1.176 1.00 0.00 N ATOM 667 CA GLN A 72 -6.404 14.924 2.166 1.00 0.00 C ATOM 668 C GLN A 72 -4.992 15.138 2.734 1.00 0.00 C ATOM 669 O GLN A 72 -4.716 14.892 3.909 1.00 0.00 O ATOM 670 CB GLN A 72 -7.505 14.576 3.191 1.00 0.00 C ATOM 671 CG GLN A 72 -7.352 13.249 3.939 1.00 0.00 C ATOM 672 CD GLN A 72 -7.441 13.418 5.458 1.00 0.00 C ATOM 673 OE1 GLN A 72 -6.826 14.317 6.028 1.00 0.00 O ATOM 674 NE2 GLN A 72 -8.137 12.542 6.157 1.00 0.00 N ATOM 0 H GLN A 72 -5.989 12.999 1.584 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.706 15.886 1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.551 15.378 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.463 14.565 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.127 12.558 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.393 12.800 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.646 11.798 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.166 12.609 7.174 1.00 0.00 H new ATOM 683 N ARG A 73 -4.057 15.570 1.883 1.00 0.00 N ATOM 684 CA ARG A 73 -2.730 16.037 2.315 1.00 0.00 C ATOM 685 C ARG A 73 -2.879 17.323 3.112 1.00 0.00 C ATOM 686 O ARG A 73 -3.731 18.155 2.781 1.00 0.00 O ATOM 687 CB ARG A 73 -1.760 16.227 1.133 1.00 0.00 C ATOM 688 CG ARG A 73 -2.427 16.792 -0.126 1.00 0.00 C ATOM 689 CD ARG A 73 -1.419 17.273 -1.170 1.00 0.00 C ATOM 690 NE ARG A 73 -0.785 18.546 -0.790 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.771 19.672 -1.512 1.00 0.00 C ATOM 692 NH1 ARG A 73 -1.417 19.780 -2.669 1.00 0.00 N ATOM 693 NH2 ARG A 73 -0.072 20.710 -1.073 1.00 0.00 N ATOM 0 H ARG A 73 -4.196 15.607 0.873 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.292 15.266 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.955 16.896 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.303 15.267 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.063 16.026 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.076 17.622 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.650 16.513 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.922 17.393 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.310 18.572 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.946 18.988 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.384 20.655 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.445 20.643 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.051 21.576 -1.612 1.00 0.00 H new ATOM 758 N LEU A 78 3.136 16.921 5.918 1.00 0.00 N ATOM 759 CA LEU A 78 3.330 15.697 5.149 1.00 0.00 C ATOM 760 C LEU A 78 2.372 14.614 5.629 1.00 0.00 C ATOM 761 O LEU A 78 2.347 13.530 5.045 1.00 0.00 O ATOM 762 CB LEU A 78 4.778 15.170 5.245 1.00 0.00 C ATOM 763 CG LEU A 78 5.856 15.874 4.400 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.444 16.006 2.929 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.258 17.236 4.963 1.00 0.00 C ATOM 0 HA LEU A 78 3.127 15.942 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.085 15.222 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.770 14.116 4.967 1.00 0.00 H new ATOM 0 HG LEU A 78 6.732 15.228 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.236 16.509 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.278 15.015 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.526 16.589 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.020 17.683 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.385 17.888 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.656 17.110 5.970 1.00 0.00 H new ATOM 777 N LYS A 79 1.553 14.864 6.660 1.00 0.00 N ATOM 778 CA LYS A 79 0.407 14.035 6.887 1.00 0.00 C ATOM 779 C LYS A 79 -0.446 14.090 5.632 1.00 0.00 C ATOM 780 O LYS A 79 -0.687 15.170 5.081 1.00 0.00 O ATOM 781 CB LYS A 79 -0.368 14.483 8.128 1.00 0.00 C ATOM 782 CG LYS A 79 -1.365 13.359 8.436 1.00 0.00 C ATOM 783 CD LYS A 79 -1.123 12.606 9.746 1.00 0.00 C ATOM 784 CE LYS A 79 -2.210 12.917 10.782 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.151 11.791 10.967 1.00 0.00 N ATOM 0 H LYS A 79 1.676 15.625 7.328 1.00 0.00 H new ATOM 0 HA LYS A 79 0.711 13.007 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.305 14.648 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.886 15.424 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.369 13.784 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.343 12.642 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.100 11.534 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.147 12.878 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.741 13.155 11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.764 13.802 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.866 12.049 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.620 11.579 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.629 10.952 11.292 1.00 0.00 H new ATOM 799 N VAL A 80 -0.867 12.930 5.167 1.00 0.00 N ATOM 800 CA VAL A 80 -1.722 12.807 4.022 1.00 0.00 C ATOM 801 C VAL A 80 -2.507 11.532 4.218 1.00 0.00 C ATOM 802 O VAL A 80 -1.976 10.538 4.686 1.00 0.00 O ATOM 803 CB VAL A 80 -0.873 12.825 2.738 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.300 11.852 2.716 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.764 12.539 1.535 1.00 0.00 C ATOM 0 H VAL A 80 -0.615 12.036 5.588 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.420 13.638 3.917 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.436 13.823 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.832 11.945 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.979 12.082 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.071 10.833 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.163 12.552 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.227 11.559 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.540 13.301 1.468 1.00 0.00 H new ATOM 815 N THR A 81 -3.772 11.543 3.849 1.00 0.00 N ATOM 816 CA THR A 81 -4.611 10.369 3.928 1.00 0.00 C ATOM 817 C THR A 81 -5.347 10.310 2.585 1.00 0.00 C ATOM 818 O THR A 81 -5.534 11.348 1.955 1.00 0.00 O ATOM 819 CB THR A 81 -5.438 10.535 5.210 1.00 0.00 C ATOM 820 OG1 THR A 81 -4.611 10.461 6.354 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.575 9.560 5.366 1.00 0.00 C ATOM 0 H THR A 81 -4.246 12.370 3.485 1.00 0.00 H new ATOM 0 HA THR A 81 -4.128 9.398 4.033 1.00 0.00 H new ATOM 0 HB THR A 81 -5.889 11.523 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.157 10.571 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.098 9.758 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.268 9.672 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.183 8.543 5.378 1.00 0.00 H new ATOM 829 N PHE A 82 -5.680 9.128 2.081 1.00 0.00 N ATOM 830 CA PHE A 82 -6.408 8.914 0.834 1.00 0.00 C ATOM 831 C PHE A 82 -7.252 7.639 0.940 1.00 0.00 C ATOM 832 O PHE A 82 -7.253 6.957 1.965 1.00 0.00 O ATOM 833 CB PHE A 82 -5.452 8.880 -0.371 1.00 0.00 C ATOM 834 CG PHE A 82 -4.310 7.877 -0.375 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.093 8.264 0.205 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.389 6.634 -1.040 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.955 7.446 0.119 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.253 5.806 -1.105 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.038 6.208 -0.530 1.00 0.00 C ATOM 0 H PHE A 82 -5.440 8.254 2.549 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.084 9.753 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.052 8.699 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.018 9.874 -0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.030 9.207 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.316 6.320 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.020 7.770 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.317 4.850 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.171 5.566 -0.588 1.00 0.00 H new ATOM 849 N THR A 83 -7.929 7.276 -0.140 1.00 0.00 N ATOM 850 CA THR A 83 -8.663 6.035 -0.298 1.00 0.00 C ATOM 851 C THR A 83 -8.156 5.432 -1.603 1.00 0.00 C ATOM 852 O THR A 83 -7.686 6.148 -2.494 1.00 0.00 O ATOM 853 CB THR A 83 -10.173 6.357 -0.292 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.494 7.003 0.933 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.126 5.172 -0.501 1.00 0.00 C ATOM 0 H THR A 83 -7.982 7.869 -0.968 1.00 0.00 H new ATOM 0 HA THR A 83 -8.513 5.313 0.505 1.00 0.00 H new ATOM 0 HB THR A 83 -10.332 6.992 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.451 7.215 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.157 5.525 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.924 4.709 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.975 4.439 0.292 1.00 0.00 H new ATOM 863 N ILE A 84 -8.218 4.114 -1.723 1.00 0.00 N ATOM 864 CA ILE A 84 -7.845 3.378 -2.915 1.00 0.00 C ATOM 865 C ILE A 84 -9.029 2.502 -3.270 1.00 0.00 C ATOM 866 O ILE A 84 -9.783 2.089 -2.392 1.00 0.00 O ATOM 867 CB ILE A 84 -6.584 2.505 -2.687 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.594 2.905 -1.591 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.743 2.564 -3.949 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.756 1.693 -1.143 1.00 0.00 C ATOM 0 H ILE A 84 -8.540 3.511 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.598 4.071 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.014 1.547 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.936 3.692 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.135 3.314 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.847 1.958 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.321 2.180 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.456 3.597 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.059 2.001 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.416 0.918 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.199 1.301 -1.994 1.00 0.00 H new ATOM 882 N TYR A 85 -9.171 2.184 -4.547 1.00 0.00 N ATOM 883 CA TYR A 85 -10.193 1.292 -5.041 1.00 0.00 C ATOM 884 C TYR A 85 -9.577 0.344 -6.062 1.00 0.00 C ATOM 885 O TYR A 85 -8.396 0.446 -6.417 1.00 0.00 O ATOM 886 CB TYR A 85 -11.367 2.104 -5.599 1.00 0.00 C ATOM 887 CG TYR A 85 -11.057 2.791 -6.909 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.304 3.977 -6.928 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.447 2.190 -8.114 1.00 0.00 C ATOM 890 CE1 TYR A 85 -9.891 4.539 -8.147 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.073 2.758 -9.337 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.283 3.928 -9.368 1.00 0.00 C ATOM 893 OH TYR A 85 -9.896 4.417 -10.577 1.00 0.00 O ATOM 0 H TYR A 85 -8.563 2.550 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.597 0.680 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.222 1.443 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.661 2.854 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.041 4.460 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.038 1.286 -8.098 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.280 5.429 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.390 2.299 -10.262 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.996 4.091 -10.789 1.00 0.00 H new ATOM 903 N ASP A 86 -10.397 -0.593 -6.510 1.00 0.00 N ATOM 904 CA ASP A 86 -10.053 -1.683 -7.408 1.00 0.00 C ATOM 905 C ASP A 86 -11.311 -2.044 -8.198 1.00 0.00 C ATOM 906 O ASP A 86 -12.365 -1.418 -8.033 1.00 0.00 O ATOM 907 CB ASP A 86 -9.535 -2.868 -6.569 1.00 0.00 C ATOM 908 CG ASP A 86 -8.812 -3.956 -7.357 1.00 0.00 C ATOM 909 OD1 ASP A 86 -8.433 -3.707 -8.522 1.00 0.00 O ATOM 910 OD2 ASP A 86 -8.562 -5.042 -6.787 1.00 0.00 O ATOM 0 H ASP A 86 -11.380 -0.614 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.266 -1.406 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.858 -2.484 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.379 -3.320 -6.048 1.00 0.00 H new ATOM 915 N ALA A 87 -11.239 -3.092 -9.014 1.00 0.00 N ATOM 916 CA ALA A 87 -12.396 -3.669 -9.695 1.00 0.00 C ATOM 917 C ALA A 87 -13.478 -4.169 -8.724 1.00 0.00 C ATOM 918 O ALA A 87 -14.606 -4.433 -9.139 1.00 0.00 O ATOM 919 CB ALA A 87 -11.923 -4.839 -10.556 1.00 0.00 C ATOM 0 H ALA A 87 -10.364 -3.571 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.846 -2.881 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.776 -5.280 -11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.201 -4.482 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.454 -5.591 -9.922 1.00 0.00 H new ATOM 925 N GLU A 88 -13.159 -4.298 -7.437 1.00 0.00 N ATOM 926 CA GLU A 88 -13.878 -5.101 -6.465 1.00 0.00 C ATOM 927 C GLU A 88 -14.576 -4.134 -5.503 1.00 0.00 C ATOM 928 O GLU A 88 -15.806 -4.053 -5.505 1.00 0.00 O ATOM 929 CB GLU A 88 -12.904 -6.036 -5.717 1.00 0.00 C ATOM 930 CG GLU A 88 -11.669 -6.582 -6.464 1.00 0.00 C ATOM 931 CD GLU A 88 -11.853 -7.873 -7.261 1.00 0.00 C ATOM 932 OE1 GLU A 88 -12.560 -8.799 -6.804 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.204 -8.007 -8.320 1.00 0.00 O ATOM 0 H GLU A 88 -12.354 -3.821 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.616 -5.738 -6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.547 -5.502 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.478 -6.891 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.318 -5.809 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.876 -6.745 -5.734 1.00 0.00 H new ATOM 940 N GLY A 89 -13.797 -3.379 -4.717 1.00 0.00 N ATOM 941 CA GLY A 89 -14.255 -2.457 -3.685 1.00 0.00 C ATOM 942 C GLY A 89 -13.212 -1.368 -3.403 1.00 0.00 C ATOM 943 O GLY A 89 -12.334 -1.143 -4.240 1.00 0.00 O ATOM 0 H GLY A 89 -12.780 -3.400 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.191 -1.994 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.464 -3.009 -2.769 1.00 0.00 H new ATOM 947 N SER A 90 -13.316 -0.669 -2.263 1.00 0.00 N ATOM 948 CA SER A 90 -12.400 0.406 -1.884 1.00 0.00 C ATOM 949 C SER A 90 -12.070 0.420 -0.379 1.00 0.00 C ATOM 950 O SER A 90 -12.806 -0.160 0.427 1.00 0.00 O ATOM 951 CB SER A 90 -12.975 1.728 -2.395 1.00 0.00 C ATOM 952 OG SER A 90 -14.165 2.123 -1.734 1.00 0.00 O ATOM 0 H SER A 90 -14.048 -0.840 -1.574 1.00 0.00 H new ATOM 0 HA SER A 90 -11.432 0.236 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.226 2.511 -2.275 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.175 1.639 -3.463 1.00 0.00 H new ATOM 0 HG SER A 90 -14.848 2.352 -2.399 1.00 0.00 H new ATOM 958 N VAL A 91 -10.951 1.056 -0.004 1.00 0.00 N ATOM 959 CA VAL A 91 -10.289 0.943 1.302 1.00 0.00 C ATOM 960 C VAL A 91 -9.574 2.244 1.685 1.00 0.00 C ATOM 961 O VAL A 91 -9.172 3.004 0.796 1.00 0.00 O ATOM 962 CB VAL A 91 -9.259 -0.208 1.260 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.912 -1.568 0.975 1.00 0.00 C ATOM 964 CG2 VAL A 91 -8.128 0.038 0.241 1.00 0.00 C ATOM 0 H VAL A 91 -10.461 1.692 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.055 0.740 2.051 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.822 -0.231 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.146 -2.343 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.637 -1.794 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.417 -1.534 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.435 -0.803 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.554 0.140 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.595 0.952 0.503 1.00 0.00 H new ATOM 974 N ASP A 92 -9.358 2.479 2.984 1.00 0.00 N ATOM 975 CA ASP A 92 -8.664 3.684 3.457 1.00 0.00 C ATOM 976 C ASP A 92 -7.147 3.502 3.414 1.00 0.00 C ATOM 977 O ASP A 92 -6.647 2.386 3.597 1.00 0.00 O ATOM 978 CB ASP A 92 -9.029 4.016 4.918 1.00 0.00 C ATOM 979 CG ASP A 92 -9.583 5.424 5.152 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.163 6.048 4.233 1.00 0.00 O ATOM 981 OD2 ASP A 92 -9.428 5.914 6.296 1.00 0.00 O ATOM 0 H ASP A 92 -9.655 1.849 3.729 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.979 4.489 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.766 3.292 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.140 3.886 5.535 1.00 0.00 H new ATOM 986 N VAL A 93 -6.403 4.609 3.332 1.00 0.00 N ATOM 987 CA VAL A 93 -4.983 4.671 3.652 1.00 0.00 C ATOM 988 C VAL A 93 -4.697 5.979 4.398 1.00 0.00 C ATOM 989 O VAL A 93 -4.912 7.047 3.822 1.00 0.00 O ATOM 990 CB VAL A 93 -4.128 4.607 2.372 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.636 4.626 2.709 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.339 3.351 1.522 1.00 0.00 C ATOM 0 H VAL A 93 -6.786 5.506 3.033 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.724 3.817 4.278 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.450 5.481 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.054 4.580 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.396 5.544 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.393 3.767 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.696 3.394 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.091 2.468 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.381 3.296 1.207 1.00 0.00 H new ATOM 1002 N SER A 94 -4.108 5.943 5.593 1.00 0.00 N ATOM 1003 CA SER A 94 -3.414 7.101 6.159 1.00 0.00 C ATOM 1004 C SER A 94 -1.921 6.942 5.897 1.00 0.00 C ATOM 1005 O SER A 94 -1.402 5.825 5.904 1.00 0.00 O ATOM 1006 CB SER A 94 -3.703 7.291 7.651 1.00 0.00 C ATOM 1007 OG SER A 94 -3.528 6.117 8.385 1.00 0.00 O ATOM 0 H SER A 94 -4.098 5.118 6.192 1.00 0.00 H new ATOM 0 HA SER A 94 -3.785 8.003 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.047 8.065 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.726 7.645 7.777 1.00 0.00 H new ATOM 0 HG SER A 94 -4.113 5.417 8.027 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.231 8.049 5.668 1.00 0.00 N ATOM 1014 CA TYR A 95 0.205 8.134 5.522 1.00 0.00 C ATOM 1015 C TYR A 95 0.677 9.398 6.242 1.00 0.00 C ATOM 1016 O TYR A 95 -0.094 10.278 6.640 1.00 0.00 O ATOM 1017 CB TYR A 95 0.555 8.114 4.021 1.00 0.00 C ATOM 1018 CG TYR A 95 2.030 8.179 3.666 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.975 7.334 4.276 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.446 9.079 2.673 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.335 7.419 3.922 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.783 9.100 2.239 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.746 8.299 2.896 1.00 0.00 C ATOM 1024 OH TYR A 95 6.064 8.405 2.573 1.00 0.00 O ATOM 0 H TYR A 95 -1.686 8.957 5.575 1.00 0.00 H new ATOM 0 HA TYR A 95 0.719 7.286 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.140 7.205 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.052 8.954 3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.656 6.618 5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.732 9.762 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.065 6.811 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.074 9.725 1.408 1.00 0.00 H new ATOM 0 HH TYR A 95 6.154 8.872 1.716 1.00 0.00 H new ATOM 1034 N GLU A 96 1.981 9.504 6.427 1.00 0.00 N ATOM 1035 CA GLU A 96 2.598 10.684 6.979 1.00 0.00 C ATOM 1036 C GLU A 96 4.011 10.661 6.443 1.00 0.00 C ATOM 1037 O GLU A 96 4.854 9.948 6.998 1.00 0.00 O ATOM 1038 CB GLU A 96 2.503 10.659 8.514 1.00 0.00 C ATOM 1039 CG GLU A 96 2.943 11.995 9.108 1.00 0.00 C ATOM 1040 CD GLU A 96 2.890 12.002 10.634 1.00 0.00 C ATOM 1041 OE1 GLU A 96 1.983 11.391 11.242 1.00 0.00 O ATOM 1042 OE2 GLU A 96 3.755 12.683 11.232 1.00 0.00 O ATOM 0 H GLU A 96 2.642 8.763 6.194 1.00 0.00 H new ATOM 0 HA GLU A 96 2.110 11.616 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.478 10.442 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.128 9.858 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.959 12.217 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.304 12.789 8.722 1.00 0.00 H new ATOM 1049 N GLY A 97 4.250 11.333 5.316 1.00 0.00 N ATOM 1050 CA GLY A 97 5.572 11.235 4.715 1.00 0.00 C ATOM 1051 C GLY A 97 5.671 11.851 3.334 1.00 0.00 C ATOM 1052 O GLY A 97 4.736 12.483 2.841 1.00 0.00 O ATOM 0 H GLY A 97 3.579 11.923 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.294 11.721 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.854 10.184 4.653 1.00 0.00 H new ATOM 1056 N ILE A 98 6.849 11.681 2.738 1.00 0.00 N ATOM 1057 CA ILE A 98 7.183 12.119 1.398 1.00 0.00 C ATOM 1058 C ILE A 98 6.283 11.328 0.466 1.00 0.00 C ATOM 1059 O ILE A 98 6.290 10.095 0.479 1.00 0.00 O ATOM 1060 CB ILE A 98 8.696 11.951 1.133 1.00 0.00 C ATOM 1061 CG1 ILE A 98 9.164 12.718 -0.122 1.00 0.00 C ATOM 1062 CG2 ILE A 98 9.180 10.492 1.125 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.928 12.032 -1.478 1.00 0.00 C ATOM 0 H ILE A 98 7.627 11.212 3.203 1.00 0.00 H new ATOM 0 HA ILE A 98 7.005 13.183 1.239 1.00 0.00 H new ATOM 0 HB ILE A 98 9.178 12.410 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.661 13.685 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.231 12.916 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.252 10.465 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.974 10.035 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.657 9.939 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.300 12.671 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.456 11.078 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.861 11.859 -1.618 1.00 0.00 H new ATOM 1075 N LEU A 99 5.436 12.041 -0.261 1.00 0.00 N ATOM 1076 CA LEU A 99 4.522 11.421 -1.195 1.00 0.00 C ATOM 1077 C LEU A 99 5.150 11.464 -2.587 1.00 0.00 C ATOM 1078 O LEU A 99 5.696 12.516 -2.936 1.00 0.00 O ATOM 1079 CB LEU A 99 3.159 12.114 -1.124 1.00 0.00 C ATOM 1080 CG LEU A 99 2.046 11.210 -1.671 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.913 9.902 -0.882 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.698 11.896 -1.509 1.00 0.00 C ATOM 0 H LEU A 99 5.366 13.058 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 99 4.347 10.375 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.938 12.382 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.190 13.042 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 99 2.309 11.011 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.112 9.299 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.851 9.349 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.682 10.127 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.088 11.250 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.515 12.093 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.700 12.837 -2.059 1.00 0.00 H new ATOM 1094 N PRO A 100 5.107 10.367 -3.369 1.00 0.00 N ATOM 1095 CA PRO A 100 5.824 10.292 -4.630 1.00 0.00 C ATOM 1096 C PRO A 100 5.434 11.430 -5.569 1.00 0.00 C ATOM 1097 O PRO A 100 4.283 11.879 -5.586 1.00 0.00 O ATOM 1098 CB PRO A 100 5.500 8.920 -5.234 1.00 0.00 C ATOM 1099 CG PRO A 100 5.018 8.076 -4.056 1.00 0.00 C ATOM 1100 CD PRO A 100 4.484 9.088 -3.061 1.00 0.00 C ATOM 0 HA PRO A 100 6.897 10.401 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.732 8.999 -6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.379 8.478 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.244 7.372 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.831 7.489 -3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.399 9.162 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.716 8.783 -2.041 1.00 0.00 H new ATOM 1108 N ASP A 101 6.362 11.836 -6.434 1.00 0.00 N ATOM 1109 CA ASP A 101 6.029 12.755 -7.514 1.00 0.00 C ATOM 1110 C ASP A 101 5.056 12.095 -8.484 1.00 0.00 C ATOM 1111 O ASP A 101 4.170 12.753 -9.028 1.00 0.00 O ATOM 1112 CB ASP A 101 7.265 13.185 -8.293 1.00 0.00 C ATOM 1113 CG ASP A 101 6.825 14.239 -9.306 1.00 0.00 C ATOM 1114 OD1 ASP A 101 6.543 15.377 -8.861 1.00 0.00 O ATOM 1115 OD2 ASP A 101 6.737 13.921 -10.514 1.00 0.00 O ATOM 0 H ASP A 101 7.339 11.545 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 101 5.577 13.635 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.020 13.592 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.716 12.331 -8.799 1.00 0.00 H new ATOM 1120 N LEU A 102 5.205 10.780 -8.661 1.00 0.00 N ATOM 1121 CA LEU A 102 4.343 9.999 -9.528 1.00 0.00 C ATOM 1122 C LEU A 102 2.902 10.070 -9.028 1.00 0.00 C ATOM 1123 O LEU A 102 1.976 10.102 -9.835 1.00 0.00 O ATOM 1124 CB LEU A 102 4.742 8.522 -9.563 1.00 0.00 C ATOM 1125 CG LEU A 102 6.073 8.219 -10.258 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.219 8.417 -9.266 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.076 6.799 -10.832 1.00 0.00 C ATOM 0 H LEU A 102 5.932 10.232 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 102 4.441 10.421 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.794 8.152 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.953 7.962 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 102 6.207 8.907 -11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.167 8.202 -9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.220 9.448 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.088 7.743 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.031 6.606 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.929 6.080 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.270 6.699 -11.559 1.00 0.00 H new ATOM 1139 N PHE A 103 2.725 10.012 -7.702 1.00 0.00 N ATOM 1140 CA PHE A 103 1.458 9.791 -7.046 1.00 0.00 C ATOM 1141 C PHE A 103 0.445 10.821 -7.532 1.00 0.00 C ATOM 1142 O PHE A 103 0.678 12.033 -7.460 1.00 0.00 O ATOM 1143 CB PHE A 103 1.670 9.850 -5.532 1.00 0.00 C ATOM 1144 CG PHE A 103 0.447 9.485 -4.730 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.605 10.414 -4.618 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.344 8.220 -4.120 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.778 10.070 -3.927 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.802 7.917 -3.368 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.870 8.825 -3.280 1.00 0.00 C ATOM 0 H PHE A 103 3.497 10.123 -7.045 1.00 0.00 H new ATOM 0 HA PHE A 103 1.059 8.807 -7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.484 9.177 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.985 10.857 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.510 11.393 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.135 7.493 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.608 10.760 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.863 6.972 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.756 8.568 -2.719 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.694 10.343 -8.027 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.815 11.180 -8.394 1.00 0.00 C ATOM 1161 C ARG A 104 -3.091 10.466 -8.013 1.00 0.00 C ATOM 1162 O ARG A 104 -3.155 9.234 -7.976 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.751 11.599 -9.871 1.00 0.00 C ATOM 1164 CG ARG A 104 -2.499 10.752 -10.921 1.00 0.00 C ATOM 1165 CD ARG A 104 -3.286 11.661 -11.860 1.00 0.00 C ATOM 1166 NE ARG A 104 -3.362 11.093 -13.209 1.00 0.00 N ATOM 1167 CZ ARG A 104 -2.459 11.248 -14.181 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -1.462 12.120 -14.072 1.00 0.00 N ATOM 1169 NH2 ARG A 104 -2.568 10.508 -15.271 1.00 0.00 N ATOM 0 H ARG A 104 -0.859 9.349 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.781 12.120 -7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -2.129 12.619 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.700 11.628 -10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.788 10.154 -11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -3.175 10.056 -10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.292 11.809 -11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.813 12.642 -11.902 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.182 10.526 -13.426 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.373 12.690 -13.231 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.786 12.219 -14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.330 9.836 -15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.890 10.609 -16.026 1.00 0.00 H new ATOM 1183 N GLU A 105 -4.138 11.246 -7.840 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.485 10.751 -7.740 1.00 0.00 C ATOM 1185 C GLU A 105 -5.896 10.107 -9.060 1.00 0.00 C ATOM 1186 O GLU A 105 -5.964 10.772 -10.090 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.388 11.923 -7.400 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.388 12.142 -5.890 1.00 0.00 C ATOM 1189 CD GLU A 105 -7.549 12.999 -5.400 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -8.006 13.896 -6.160 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -8.079 12.684 -4.320 1.00 0.00 O ATOM 0 H GLU A 105 -4.069 12.261 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.564 9.992 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.042 12.823 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.402 11.729 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.425 11.174 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.450 12.615 -5.599 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.197 8.816 -9.020 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.644 8.059 -10.176 1.00 0.00 C ATOM 1200 C GLY A 106 -5.505 7.335 -10.889 1.00 0.00 C ATOM 1201 O GLY A 106 -5.741 6.827 -11.983 1.00 0.00 O ATOM 0 H GLY A 106 -6.136 8.258 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.390 7.330 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.135 8.733 -10.878 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.298 7.267 -10.308 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.284 6.304 -10.737 1.00 0.00 C ATOM 1207 C GLN A 107 -3.141 5.200 -9.686 1.00 0.00 C ATOM 1208 O GLN A 107 -3.638 5.320 -8.563 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.942 6.987 -11.047 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.226 7.578 -9.823 1.00 0.00 C ATOM 1211 CD GLN A 107 0.268 7.296 -9.823 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.801 6.814 -8.835 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.955 7.604 -10.908 1.00 0.00 N ATOM 0 H GLN A 107 -4.004 7.870 -9.539 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.612 5.846 -11.670 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.282 6.262 -11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.114 7.784 -11.771 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.388 8.656 -9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.669 7.168 -8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.479 8.005 -11.716 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.961 7.441 -10.938 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.465 4.117 -10.058 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.178 2.990 -9.194 1.00 0.00 C ATOM 1224 C GLY A 108 -1.005 3.296 -8.276 1.00 0.00 C ATOM 1225 O GLY A 108 0.013 3.812 -8.736 1.00 0.00 O ATOM 0 H GLY A 108 -2.092 4.002 -11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.059 2.750 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.953 2.111 -9.798 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.117 2.894 -7.015 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.081 2.955 -5.992 1.00 0.00 C ATOM 1231 C VAL A 109 0.012 1.591 -5.317 1.00 0.00 C ATOM 1232 O VAL A 109 -0.859 0.731 -5.458 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.367 4.099 -5.011 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.186 3.958 -3.499 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -0.059 5.452 -5.662 1.00 0.00 C ATOM 0 H VAL A 109 -1.985 2.493 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 109 0.891 3.176 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.441 4.004 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.449 4.897 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.833 3.163 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.853 3.713 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.267 6.253 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.992 5.486 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.682 5.580 -6.547 1.00 0.00 H new ATOM 1245 N VAL A 110 1.076 1.404 -4.559 1.00 0.00 N ATOM 1246 CA VAL A 110 1.317 0.311 -3.651 1.00 0.00 C ATOM 1247 C VAL A 110 1.460 0.960 -2.275 1.00 0.00 C ATOM 1248 O VAL A 110 2.135 1.972 -2.122 1.00 0.00 O ATOM 1249 CB VAL A 110 2.541 -0.471 -4.167 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.165 -1.379 -3.118 1.00 0.00 C ATOM 1251 CG2 VAL A 110 2.136 -1.294 -5.393 1.00 0.00 C ATOM 0 H VAL A 110 1.851 2.067 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 110 0.524 -0.433 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 110 3.302 0.264 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.021 -1.898 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.494 -0.781 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.428 -2.109 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.000 -1.848 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.346 -1.993 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.773 -0.627 -6.175 1.00 0.00 H new ATOM 1261 N VAL A 111 0.770 0.445 -1.272 1.00 0.00 N ATOM 1262 CA VAL A 111 0.911 0.811 0.117 1.00 0.00 C ATOM 1263 C VAL A 111 1.414 -0.425 0.853 1.00 0.00 C ATOM 1264 O VAL A 111 1.237 -1.561 0.424 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.463 1.315 0.589 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.851 0.984 2.027 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.581 2.807 0.365 1.00 0.00 C ATOM 0 H VAL A 111 0.062 -0.275 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 111 1.628 1.610 0.304 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.171 0.759 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.839 1.392 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.869 -0.098 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.123 1.421 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.559 3.150 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.199 3.322 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.468 3.026 -0.697 1.00 0.00 H new ATOM 1277 N GLN A 112 2.015 -0.186 2.000 1.00 0.00 N ATOM 1278 CA GLN A 112 2.524 -1.168 2.936 1.00 0.00 C ATOM 1279 C GLN A 112 2.513 -0.490 4.281 1.00 0.00 C ATOM 1280 O GLN A 112 2.826 0.695 4.314 1.00 0.00 O ATOM 1281 CB GLN A 112 3.959 -1.536 2.533 1.00 0.00 C ATOM 1282 CG GLN A 112 4.716 -2.428 3.512 1.00 0.00 C ATOM 1283 CD GLN A 112 5.855 -3.192 2.828 1.00 0.00 C ATOM 1284 OE1 GLN A 112 6.342 -2.885 1.748 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.237 -4.303 3.416 1.00 0.00 N ATOM 0 H GLN A 112 2.172 0.768 2.326 1.00 0.00 H new ATOM 0 HA GLN A 112 1.931 -2.082 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.927 -2.036 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.526 -0.615 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.122 -1.818 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.024 -3.138 3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 112 5.837 -4.567 4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 112 6.934 -4.901 2.972 1.00 0.00 H new ATOM 1294 N GLY A 113 2.203 -1.204 5.358 1.00 0.00 N ATOM 1295 CA GLY A 113 2.488 -0.709 6.694 1.00 0.00 C ATOM 1296 C GLY A 113 1.847 -1.633 7.699 1.00 0.00 C ATOM 1297 O GLY A 113 2.434 -2.686 7.926 1.00 0.00 O ATOM 0 H GLY A 113 1.757 -2.121 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.565 -0.661 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.102 0.304 6.812 1.00 0.00 H new ATOM 1301 N GLU A 114 0.668 -1.316 8.239 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.140 -2.219 9.050 1.00 0.00 C ATOM 1303 C GLU A 114 -1.598 -2.078 8.642 1.00 0.00 C ATOM 1304 O GLU A 114 -2.017 -1.032 8.153 1.00 0.00 O ATOM 1305 CB GLU A 114 0.009 -1.903 10.547 1.00 0.00 C ATOM 1306 CG GLU A 114 1.157 -2.669 11.236 1.00 0.00 C ATOM 1307 CD GLU A 114 0.727 -3.761 12.236 1.00 0.00 C ATOM 1308 OE1 GLU A 114 -0.239 -3.569 13.006 1.00 0.00 O ATOM 1309 OE2 GLU A 114 1.425 -4.803 12.326 1.00 0.00 O ATOM 0 H GLU A 114 0.240 -0.398 8.119 1.00 0.00 H new ATOM 0 HA GLU A 114 0.203 -3.240 8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.176 -0.833 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.927 -2.139 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.775 -3.131 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.786 -1.949 11.760 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.378 -3.129 8.869 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.830 -3.045 8.894 1.00 0.00 C ATOM 1318 C LEU A 115 -4.228 -2.293 10.164 1.00 0.00 C ATOM 1319 O LEU A 115 -3.656 -2.568 11.218 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.417 -4.456 8.840 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.516 -4.594 7.757 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.134 -5.994 7.697 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.647 -3.567 7.819 1.00 0.00 C ATOM 0 H LEU A 115 -2.017 -4.067 9.042 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.222 -2.504 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.620 -5.171 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.835 -4.711 9.814 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.952 -4.395 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.896 -6.022 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.358 -6.725 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.589 -6.232 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.358 -3.759 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.156 -3.644 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.235 -2.564 7.707 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.148 -1.331 10.074 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.599 -0.576 11.232 1.00 0.00 C ATOM 1337 C GLU A 116 -6.636 -1.416 11.976 1.00 0.00 C ATOM 1338 O GLU A 116 -6.369 -1.868 13.087 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.205 0.772 10.809 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.430 1.720 12.000 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.720 2.535 11.881 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.807 1.935 11.715 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.665 3.793 11.935 1.00 0.00 O ATOM 0 H GLU A 116 -5.596 -1.058 9.199 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.751 -0.362 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.545 1.252 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.155 0.597 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.459 1.137 12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.583 2.401 12.080 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.823 -1.554 11.362 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.085 -2.060 11.871 1.00 0.00 C ATOM 1352 C LYS A 117 -10.161 -1.836 10.814 1.00 0.00 C ATOM 1353 O LYS A 117 -10.654 -2.806 10.249 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.444 -1.385 13.193 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.075 -2.256 14.412 1.00 0.00 C ATOM 1356 CD LYS A 117 -8.595 -1.380 15.572 1.00 0.00 C ATOM 1357 CE LYS A 117 -9.699 -0.400 15.966 1.00 0.00 C ATOM 1358 NZ LYS A 117 -10.706 -1.040 16.829 1.00 0.00 N ATOM 0 H LYS A 117 -7.919 -1.278 10.385 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.004 -3.128 12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.927 -0.428 13.263 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.513 -1.172 13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.941 -2.840 14.724 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.294 -2.965 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.327 -2.003 16.425 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -7.697 -0.834 15.281 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.262 0.452 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.181 -0.013 15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.441 -0.347 17.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.140 -1.838 16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.249 -1.387 17.697 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.532 -0.586 10.520 1.00 0.00 N ATOM 1373 CA GLY A 118 -11.712 -0.283 9.707 1.00 0.00 C ATOM 1374 C GLY A 118 -11.432 -0.347 8.206 1.00 0.00 C ATOM 1375 O GLY A 118 -11.641 0.651 7.521 1.00 0.00 O ATOM 0 H GLY A 118 -10.025 0.240 10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.507 -0.986 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.077 0.712 9.961 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.960 -1.494 7.700 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.268 -1.678 6.420 1.00 0.00 C ATOM 1381 C ASN A 119 -9.523 -0.433 5.954 1.00 0.00 C ATOM 1382 O ASN A 119 -9.846 0.234 4.967 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.124 -2.280 5.312 1.00 0.00 C ATOM 1384 CG ASN A 119 -10.216 -3.132 4.466 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -10.454 -4.415 4.465 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -9.253 -2.676 3.859 1.00 0.00 N flip ATOM 0 H ASN A 119 -11.058 -2.374 8.207 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.515 -2.435 6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.933 -2.878 5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.586 -1.496 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -9.075 -1.672 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.630 -3.301 3.348 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.502 -0.134 6.734 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.701 1.058 6.665 1.00 0.00 C ATOM 1395 C HIS A 120 -6.288 0.550 6.768 1.00 0.00 C ATOM 1396 O HIS A 120 -5.987 -0.184 7.707 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.066 1.960 7.847 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.153 3.138 8.071 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.115 3.943 9.188 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.250 3.647 7.182 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.253 4.942 8.949 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.704 4.782 7.743 1.00 0.00 N ATOM 0 H HIS A 120 -8.196 -0.762 7.478 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.847 1.647 5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.080 2.332 7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.078 1.355 8.753 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.649 3.804 10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.007 3.235 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.036 5.753 9.629 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.443 0.873 5.802 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.032 0.590 5.925 1.00 0.00 C ATOM 1412 C ILE A 121 -3.363 1.829 6.498 1.00 0.00 C ATOM 1413 O ILE A 121 -3.490 2.921 5.946 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.442 0.202 4.561 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.296 -0.802 3.765 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.036 -0.367 4.791 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.721 -2.049 4.552 1.00 0.00 C ATOM 0 H ILE A 121 -5.713 1.329 4.930 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.862 -0.256 6.590 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.416 1.105 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.191 -0.293 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.735 -1.118 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.597 -0.650 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.411 0.388 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.099 -1.244 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.318 -2.698 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.834 -2.587 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.313 -1.749 5.417 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.564 1.646 7.539 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.573 2.634 7.898 1.00 0.00 C ATOM 1431 C LEU A 122 -0.460 2.390 6.914 1.00 0.00 C ATOM 1432 O LEU A 122 0.191 1.351 6.989 1.00 0.00 O ATOM 1433 CB LEU A 122 -1.051 2.375 9.315 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.821 3.095 10.417 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.581 4.602 10.400 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -3.327 2.884 10.336 1.00 0.00 C ATOM 0 H LEU A 122 -2.587 0.825 8.144 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.967 3.650 7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.082 1.303 9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.005 2.678 9.364 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.439 2.654 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.150 5.070 11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.519 4.803 10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.902 5.011 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.814 3.423 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.696 3.257 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.550 1.821 10.421 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.291 3.279 5.943 1.00 0.00 N ATOM 1449 CA ALA A 123 0.848 3.216 5.064 1.00 0.00 C ATOM 1450 C ALA A 123 2.073 3.735 5.791 1.00 0.00 C ATOM 1451 O ALA A 123 2.036 4.738 6.501 1.00 0.00 O ATOM 1452 CB ALA A 123 0.632 4.042 3.810 1.00 0.00 C ATOM 0 H ALA A 123 -0.933 4.048 5.752 1.00 0.00 H new ATOM 0 HA ALA A 123 0.988 2.176 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.512 3.970 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.238 3.666 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.467 5.084 4.085 1.00 0.00 H new ATOM 1458 N LYS A 124 3.186 3.078 5.521 1.00 0.00 N ATOM 1459 CA LYS A 124 4.498 3.347 6.050 1.00 0.00 C ATOM 1460 C LYS A 124 5.382 3.948 4.960 1.00 0.00 C ATOM 1461 O LYS A 124 6.387 4.548 5.328 1.00 0.00 O ATOM 1462 CB LYS A 124 5.012 2.056 6.720 1.00 0.00 C ATOM 1463 CG LYS A 124 5.762 1.071 5.814 1.00 0.00 C ATOM 1464 CD LYS A 124 7.270 1.304 5.912 1.00 0.00 C ATOM 1465 CE LYS A 124 8.032 0.069 6.417 1.00 0.00 C ATOM 1466 NZ LYS A 124 7.663 -0.382 7.777 1.00 0.00 N ATOM 0 H LYS A 124 3.190 2.286 4.879 1.00 0.00 H new ATOM 0 HA LYS A 124 4.497 4.107 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.672 2.336 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.160 1.536 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.526 0.047 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.434 1.194 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.654 1.586 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.461 2.142 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.864 -0.752 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.100 0.288 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.263 -1.186 8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.801 0.398 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 6.665 -0.675 7.787 1.00 0.00 H new ATOM 1480 N GLU A 125 5.003 3.855 3.669 1.00 0.00 N ATOM 1481 CA GLU A 125 5.829 4.325 2.556 1.00 0.00 C ATOM 1482 C GLU A 125 5.097 4.942 1.355 1.00 0.00 C ATOM 1483 O GLU A 125 5.499 6.031 0.963 1.00 0.00 O ATOM 1484 CB GLU A 125 6.790 3.198 2.128 1.00 0.00 C ATOM 1485 CG GLU A 125 6.097 1.969 1.507 1.00 0.00 C ATOM 1486 CD GLU A 125 6.956 0.696 1.578 1.00 0.00 C ATOM 1487 OE1 GLU A 125 6.922 0.052 2.650 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.573 0.300 0.560 1.00 0.00 O ATOM 0 H GLU A 125 4.114 3.450 3.377 1.00 0.00 H new ATOM 0 HA GLU A 125 6.378 5.180 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.503 3.600 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.362 2.876 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.152 1.793 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.857 2.182 0.465 1.00 0.00 H new ATOM 1495 N VAL A 126 4.055 4.297 0.792 1.00 0.00 N ATOM 1496 CA VAL A 126 3.292 4.678 -0.403 1.00 0.00 C ATOM 1497 C VAL A 126 4.164 4.691 -1.664 1.00 0.00 C ATOM 1498 O VAL A 126 5.287 5.194 -1.657 1.00 0.00 O ATOM 1499 CB VAL A 126 2.549 6.000 -0.160 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.781 6.441 -1.415 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.526 5.869 0.970 1.00 0.00 C ATOM 0 H VAL A 126 3.702 3.430 1.196 1.00 0.00 H new ATOM 0 HA VAL A 126 2.536 3.916 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 126 3.311 6.734 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.264 7.380 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.480 6.581 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.052 5.676 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.019 6.823 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.793 5.105 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.036 5.586 1.891 1.00 0.00 H new ATOM 1511 N LEU A 127 3.684 4.150 -2.780 1.00 0.00 N ATOM 1512 CA LEU A 127 4.544 3.881 -3.940 1.00 0.00 C ATOM 1513 C LEU A 127 3.642 3.923 -5.139 1.00 0.00 C ATOM 1514 O LEU A 127 2.455 3.736 -4.965 1.00 0.00 O ATOM 1515 CB LEU A 127 5.131 2.470 -3.836 1.00 0.00 C ATOM 1516 CG LEU A 127 6.310 2.302 -2.863 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.360 0.830 -2.476 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.628 2.782 -3.474 1.00 0.00 C ATOM 0 H LEU A 127 2.707 3.888 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 127 5.359 4.602 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.336 1.788 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.457 2.159 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 127 6.165 2.921 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.185 0.664 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.422 0.548 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.508 0.224 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.434 2.645 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.844 2.205 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.546 3.838 -3.731 1.00 0.00 H new ATOM 1530 N ALA A 128 4.122 4.093 -6.359 1.00 0.00 N ATOM 1531 CA ALA A 128 3.250 4.483 -7.466 1.00 0.00 C ATOM 1532 C ALA A 128 3.224 3.445 -8.588 1.00 0.00 C ATOM 1533 O ALA A 128 3.484 3.795 -9.739 1.00 0.00 O ATOM 1534 CB ALA A 128 3.644 5.895 -7.873 1.00 0.00 C ATOM 0 H ALA A 128 5.102 3.970 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 128 2.204 4.505 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.014 6.224 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.512 6.568 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.688 5.906 -8.186 1.00 0.00 H new ATOM 1540 N LYS A 129 2.903 2.176 -8.250 1.00 0.00 N ATOM 1541 CA LYS A 129 2.792 1.015 -9.181 1.00 0.00 C ATOM 1542 C LYS A 129 3.780 1.012 -10.377 1.00 0.00 C ATOM 1543 O LYS A 129 3.464 0.501 -11.455 1.00 0.00 O ATOM 1544 CB LYS A 129 1.326 0.870 -9.659 1.00 0.00 C ATOM 1545 CG LYS A 129 0.396 0.304 -8.579 1.00 0.00 C ATOM 1546 CD LYS A 129 0.406 -1.223 -8.452 1.00 0.00 C ATOM 1547 CE LYS A 129 -0.431 -1.870 -9.559 1.00 0.00 C ATOM 1548 NZ LYS A 129 -0.439 -3.338 -9.438 1.00 0.00 N ATOM 0 H LYS A 129 2.705 1.915 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 129 3.092 0.144 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.955 1.845 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 129 1.297 0.219 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.675 0.735 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.623 0.629 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 129 1.431 -1.589 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.014 -1.513 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.453 -1.494 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.032 -1.586 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.014 -3.746 -10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.534 -3.697 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.843 -3.608 -8.519 1.00 0.00 H new