USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 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 6 LYS NZ :NH3+ 180:sc= -0.0034 (180deg=-0.0034) USER MOD Single : A 7 MET CE :methyl -167:sc= -0.909 (180deg=-1.39) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.961) USER MOD Single : A 18 THR OG1 : rot -36:sc= 0.438 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 0.8 (180deg=0.594) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0125) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.761 K(o=0.76,f=-0.00054) USER MOD Single : A 41 GLN : amide:sc= 0.606 K(o=0.61,f=-3.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 57:sc= 0.794 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 126:sc= 1.23 USER MOD Single : A 57 MET CE :methyl -116:sc= -3.4! (180deg=-5.46!) USER MOD Single : A 58 LYS NZ :NH3+ -131:sc= 1.17 (180deg=0.693) USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.08) USER MOD Single : A 60 GLN : amide:sc= -0.405 K(o=-0.4,f=-2.3!) USER MOD Single : A 64 MET CE :methyl -171:sc=-0.000535 (180deg=-0.098) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.972 7.454 8.282 1.00 0.00 N ATOM 26 CA VAL A 3 -3.578 7.825 8.401 1.00 0.00 C ATOM 27 C VAL A 3 -2.847 7.400 7.131 1.00 0.00 C ATOM 28 O VAL A 3 -3.132 6.346 6.562 1.00 0.00 O ATOM 29 CB VAL A 3 -2.973 7.098 9.607 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.527 7.544 9.826 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.782 7.291 10.891 1.00 0.00 C ATOM 0 HA VAL A 3 -3.483 8.902 8.537 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.999 6.034 9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.111 7.019 10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.937 7.313 8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.501 8.618 10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.302 6.752 11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.830 8.352 11.135 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.792 6.906 10.746 1.00 0.00 H new ATOM 41 N VAL A 4 -1.905 8.230 6.691 1.00 0.00 N ATOM 42 CA VAL A 4 -1.073 7.964 5.535 1.00 0.00 C ATOM 43 C VAL A 4 0.067 7.001 5.897 1.00 0.00 C ATOM 44 O VAL A 4 0.747 7.185 6.906 1.00 0.00 O ATOM 45 CB VAL A 4 -0.639 9.297 4.896 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.815 9.641 5.193 1.00 0.00 C ATOM 47 CG2 VAL A 4 -0.844 9.234 3.383 1.00 0.00 C ATOM 0 H VAL A 4 -1.700 9.122 7.141 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.634 7.438 4.763 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.259 10.080 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.069 10.589 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.956 9.724 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.462 8.856 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.536 10.178 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.245 8.423 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.897 9.055 3.166 1.00 0.00 H new ATOM 57 N LEU A 5 0.292 5.998 5.049 1.00 0.00 N ATOM 58 CA LEU A 5 1.406 5.063 5.096 1.00 0.00 C ATOM 59 C LEU A 5 2.094 5.161 3.738 1.00 0.00 C ATOM 60 O LEU A 5 1.415 5.271 2.716 1.00 0.00 O ATOM 61 CB LEU A 5 0.858 3.659 5.416 1.00 0.00 C ATOM 62 CG LEU A 5 1.587 2.425 4.848 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.490 2.261 3.332 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.003 2.201 5.361 1.00 0.00 C ATOM 0 H LEU A 5 -0.336 5.809 4.268 1.00 0.00 H new ATOM 0 HA LEU A 5 2.136 5.286 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.832 3.555 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.174 3.621 5.067 1.00 0.00 H new ATOM 0 HG LEU A 5 1.001 1.612 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.033 1.366 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.443 2.167 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.924 3.133 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.421 1.308 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.621 3.063 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.982 2.072 6.443 1.00 0.00 H new ATOM 76 N LYS A 6 3.431 5.143 3.724 1.00 0.00 N ATOM 77 CA LYS A 6 4.240 5.057 2.519 1.00 0.00 C ATOM 78 C LYS A 6 4.863 3.663 2.478 1.00 0.00 C ATOM 79 O LYS A 6 5.534 3.270 3.438 1.00 0.00 O ATOM 80 CB LYS A 6 5.290 6.162 2.509 1.00 0.00 C ATOM 81 CG LYS A 6 5.833 6.416 1.091 1.00 0.00 C ATOM 82 CD LYS A 6 5.926 7.929 0.914 1.00 0.00 C ATOM 83 CE LYS A 6 6.789 8.347 -0.284 1.00 0.00 C ATOM 84 NZ LYS A 6 6.048 8.256 -1.560 1.00 0.00 N ATOM 0 H LYS A 6 3.988 5.189 4.577 1.00 0.00 H new ATOM 0 HA LYS A 6 3.633 5.201 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.856 7.081 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.112 5.889 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.811 5.952 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.173 5.980 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.922 8.336 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.338 8.370 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.138 9.369 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.674 7.712 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.668 8.547 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.736 7.275 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.218 8.881 -1.525 1.00 0.00 H new ATOM 98 N MET A 7 4.620 2.920 1.399 1.00 0.00 N ATOM 99 CA MET A 7 5.161 1.592 1.181 1.00 0.00 C ATOM 100 C MET A 7 6.084 1.598 -0.039 1.00 0.00 C ATOM 101 O MET A 7 6.092 2.536 -0.840 1.00 0.00 O ATOM 102 CB MET A 7 4.028 0.560 1.046 1.00 0.00 C ATOM 103 CG MET A 7 3.290 0.637 -0.295 1.00 0.00 C ATOM 104 SD MET A 7 2.125 -0.688 -0.693 1.00 0.00 S ATOM 105 CE MET A 7 3.178 -2.125 -0.434 1.00 0.00 C ATOM 0 H MET A 7 4.024 3.240 0.635 1.00 0.00 H new ATOM 0 HA MET A 7 5.757 1.299 2.046 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.442 -0.441 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.313 0.709 1.855 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.746 1.581 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.038 0.675 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.697 -3.009 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.137 -1.967 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.338 -2.271 0.634 1.00 0.00 H new ATOM 115 N LYS A 8 6.822 0.502 -0.173 1.00 0.00 N ATOM 116 CA LYS A 8 7.721 0.173 -1.258 1.00 0.00 C ATOM 117 C LYS A 8 7.130 -1.044 -1.970 1.00 0.00 C ATOM 118 O LYS A 8 6.692 -1.981 -1.305 1.00 0.00 O ATOM 119 CB LYS A 8 9.094 -0.150 -0.649 1.00 0.00 C ATOM 120 CG LYS A 8 10.148 0.917 -0.949 1.00 0.00 C ATOM 121 CD LYS A 8 10.488 0.948 -2.440 1.00 0.00 C ATOM 122 CE LYS A 8 11.920 1.435 -2.695 1.00 0.00 C ATOM 123 NZ LYS A 8 12.299 1.299 -4.115 1.00 0.00 N ATOM 0 H LYS A 8 6.801 -0.233 0.533 1.00 0.00 H new ATOM 0 HA LYS A 8 7.841 0.989 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.990 -0.256 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.438 -1.111 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.781 1.894 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.050 0.715 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.365 -0.050 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.786 1.601 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.008 2.479 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.614 0.865 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.240 1.715 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.321 0.292 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.603 1.794 -4.709 1.00 0.00 H new ATOM 137 N VAL A 9 7.093 -1.011 -3.302 1.00 0.00 N ATOM 138 CA VAL A 9 6.466 -1.998 -4.173 1.00 0.00 C ATOM 139 C VAL A 9 7.527 -2.484 -5.165 1.00 0.00 C ATOM 140 O VAL A 9 7.423 -2.249 -6.369 1.00 0.00 O ATOM 141 CB VAL A 9 5.259 -1.350 -4.888 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.401 -2.407 -5.599 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.361 -0.586 -3.905 1.00 0.00 C ATOM 0 H VAL A 9 7.524 -0.252 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 9 6.091 -2.853 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 9 5.673 -0.654 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.560 -1.921 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.006 -2.927 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.028 -3.124 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.523 -0.144 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.983 -1.273 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.938 0.203 -3.423 1.00 0.00 H new ATOM 153 N GLU A 10 8.594 -3.107 -4.659 1.00 0.00 N ATOM 154 CA GLU A 10 9.741 -3.411 -5.502 1.00 0.00 C ATOM 155 C GLU A 10 9.443 -4.553 -6.472 1.00 0.00 C ATOM 156 O GLU A 10 8.692 -5.477 -6.160 1.00 0.00 O ATOM 157 CB GLU A 10 11.000 -3.648 -4.658 1.00 0.00 C ATOM 158 CG GLU A 10 11.188 -2.461 -3.707 1.00 0.00 C ATOM 159 CD GLU A 10 12.643 -2.077 -3.509 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.269 -2.616 -2.577 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.071 -1.170 -4.261 1.00 0.00 O ATOM 0 H GLU A 10 8.683 -3.404 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 10 9.945 -2.539 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.906 -4.574 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.872 -3.756 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.642 -1.602 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.749 -2.706 -2.740 1.00 0.00 H new ATOM 168 N GLY A 11 10.026 -4.466 -7.671 1.00 0.00 N ATOM 169 CA GLY A 11 9.897 -5.473 -8.712 1.00 0.00 C ATOM 170 C GLY A 11 9.234 -4.875 -9.947 1.00 0.00 C ATOM 171 O GLY A 11 9.699 -5.088 -11.064 1.00 0.00 O ATOM 0 H GLY A 11 10.611 -3.676 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.880 -5.865 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.307 -6.312 -8.344 1.00 0.00 H new ATOM 256 N THR A 18 0.285 -0.745 -11.222 1.00 0.00 N ATOM 257 CA THR A 18 -0.258 0.172 -10.218 1.00 0.00 C ATOM 258 C THR A 18 -1.771 0.173 -10.156 1.00 0.00 C ATOM 259 O THR A 18 -2.313 -0.607 -9.395 1.00 0.00 O ATOM 260 CB THR A 18 0.290 1.587 -10.420 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.013 2.058 -11.721 1.00 0.00 O ATOM 262 CG2 THR A 18 1.803 1.561 -10.251 1.00 0.00 C ATOM 0 HA THR A 18 0.079 -0.200 -9.250 1.00 0.00 H new ATOM 0 HB THR A 18 -0.169 2.249 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.039 1.315 -12.358 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.202 2.565 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.051 1.210 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.240 0.889 -10.989 1.00 0.00 H new ATOM 270 N SER A 19 -2.442 0.998 -10.954 1.00 0.00 N ATOM 271 CA SER A 19 -3.893 1.100 -11.024 1.00 0.00 C ATOM 272 C SER A 19 -4.609 -0.247 -10.867 1.00 0.00 C ATOM 273 O SER A 19 -5.570 -0.355 -10.102 1.00 0.00 O ATOM 274 CB SER A 19 -4.270 1.860 -12.300 1.00 0.00 C ATOM 275 OG SER A 19 -5.651 2.164 -12.325 1.00 0.00 O ATOM 0 H SER A 19 -1.970 1.638 -11.593 1.00 0.00 H new ATOM 0 HA SER A 19 -4.250 1.669 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.691 2.781 -12.362 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.011 1.261 -13.173 1.00 0.00 H new ATOM 0 HG SER A 19 -5.864 2.650 -13.149 1.00 0.00 H new ATOM 281 N THR A 20 -4.093 -1.291 -11.523 1.00 0.00 N ATOM 282 CA THR A 20 -4.554 -2.665 -11.340 1.00 0.00 C ATOM 283 C THR A 20 -4.538 -3.067 -9.851 1.00 0.00 C ATOM 284 O THR A 20 -5.566 -3.446 -9.283 1.00 0.00 O ATOM 285 CB THR A 20 -3.749 -3.595 -12.279 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.579 -3.999 -13.347 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.143 -4.842 -11.629 1.00 0.00 C ATOM 0 H THR A 20 -3.337 -1.202 -12.202 1.00 0.00 H new ATOM 0 HA THR A 20 -5.601 -2.763 -11.629 1.00 0.00 H new ATOM 0 HB THR A 20 -2.898 -2.998 -12.607 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.076 -4.587 -13.948 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.603 -5.418 -12.380 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.456 -4.542 -10.838 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.939 -5.455 -11.206 1.00 0.00 H new ATOM 295 N ILE A 21 -3.373 -2.968 -9.200 1.00 0.00 N ATOM 296 CA ILE A 21 -3.236 -3.131 -7.766 1.00 0.00 C ATOM 297 C ILE A 21 -4.148 -2.152 -7.035 1.00 0.00 C ATOM 298 O ILE A 21 -4.860 -2.582 -6.140 1.00 0.00 O ATOM 299 CB ILE A 21 -1.750 -2.986 -7.384 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.994 -4.250 -7.818 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.481 -2.700 -5.905 1.00 0.00 C ATOM 302 CD1 ILE A 21 0.117 -3.893 -8.794 1.00 0.00 C ATOM 0 H ILE A 21 -2.491 -2.769 -9.671 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.555 -4.127 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.392 -2.102 -7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.573 -4.748 -6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.685 -4.953 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.407 -2.616 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.966 -1.766 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.878 -3.514 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.644 -4.799 -9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.312 -3.416 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.816 -3.208 -8.315 1.00 0.00 H new ATOM 314 N GLU A 22 -4.151 -0.863 -7.377 1.00 0.00 N ATOM 315 CA GLU A 22 -4.857 0.146 -6.605 1.00 0.00 C ATOM 316 C GLU A 22 -6.332 -0.213 -6.466 1.00 0.00 C ATOM 317 O GLU A 22 -6.850 -0.407 -5.370 1.00 0.00 O ATOM 318 CB GLU A 22 -4.666 1.511 -7.271 1.00 0.00 C ATOM 319 CG GLU A 22 -3.185 1.905 -7.225 1.00 0.00 C ATOM 320 CD GLU A 22 -2.931 3.287 -7.795 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.912 3.408 -9.036 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.713 4.191 -6.965 1.00 0.00 O ATOM 0 H GLU A 22 -3.664 -0.496 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.446 0.190 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.011 1.474 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.268 2.263 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.836 1.872 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.601 1.173 -7.783 1.00 0.00 H new ATOM 329 N GLY A 23 -6.978 -0.332 -7.618 1.00 0.00 N ATOM 330 CA GLY A 23 -8.328 -0.842 -7.788 1.00 0.00 C ATOM 331 C GLY A 23 -8.599 -2.065 -6.906 1.00 0.00 C ATOM 332 O GLY A 23 -9.529 -2.045 -6.100 1.00 0.00 O ATOM 0 H GLY A 23 -6.551 -0.061 -8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.044 -0.057 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.485 -1.108 -8.833 1.00 0.00 H new ATOM 336 N LYS A 24 -7.794 -3.126 -7.038 1.00 0.00 N ATOM 337 CA LYS A 24 -7.968 -4.327 -6.223 1.00 0.00 C ATOM 338 C LYS A 24 -7.897 -3.979 -4.732 1.00 0.00 C ATOM 339 O LYS A 24 -8.772 -4.340 -3.946 1.00 0.00 O ATOM 340 CB LYS A 24 -6.909 -5.377 -6.596 1.00 0.00 C ATOM 341 CG LYS A 24 -7.065 -6.664 -5.769 1.00 0.00 C ATOM 342 CD LYS A 24 -6.002 -7.689 -6.182 1.00 0.00 C ATOM 343 CE LYS A 24 -6.025 -8.944 -5.294 1.00 0.00 C ATOM 344 NZ LYS A 24 -5.391 -8.714 -3.977 1.00 0.00 N ATOM 0 H LYS A 24 -7.019 -3.174 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.953 -4.749 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.990 -5.614 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.914 -4.962 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.969 -6.437 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.061 -7.082 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.164 -7.978 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.016 -7.228 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.057 -9.263 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.510 -9.757 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.676 -9.467 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.357 -8.721 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.694 -7.793 -3.602 1.00 0.00 H new ATOM 358 N ILE A 25 -6.822 -3.307 -4.335 1.00 0.00 N ATOM 359 CA ILE A 25 -6.528 -2.941 -2.971 1.00 0.00 C ATOM 360 C ILE A 25 -7.639 -2.057 -2.396 1.00 0.00 C ATOM 361 O ILE A 25 -7.921 -2.124 -1.203 1.00 0.00 O ATOM 362 CB ILE A 25 -5.120 -2.321 -2.930 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.995 -3.314 -3.265 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.885 -1.536 -1.643 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.810 -4.399 -2.227 1.00 0.00 C ATOM 0 H ILE A 25 -6.106 -2.993 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.511 -3.814 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.080 -1.596 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.207 -3.778 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.059 -2.766 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.880 -1.114 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.616 -0.731 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.991 -2.202 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.999 -5.060 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.566 -3.946 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.731 -4.974 -2.133 1.00 0.00 H new ATOM 377 N GLY A 26 -8.338 -1.300 -3.241 1.00 0.00 N ATOM 378 CA GLY A 26 -9.526 -0.551 -2.869 1.00 0.00 C ATOM 379 C GLY A 26 -10.620 -1.394 -2.197 1.00 0.00 C ATOM 380 O GLY A 26 -11.488 -0.822 -1.543 1.00 0.00 O ATOM 0 H GLY A 26 -8.084 -1.192 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.237 0.254 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.941 -0.084 -3.762 1.00 0.00 H new ATOM 384 N LYS A 27 -10.617 -2.728 -2.339 1.00 0.00 N ATOM 385 CA LYS A 27 -11.584 -3.583 -1.673 1.00 0.00 C ATOM 386 C LYS A 27 -11.099 -3.992 -0.278 1.00 0.00 C ATOM 387 O LYS A 27 -11.866 -4.597 0.471 1.00 0.00 O ATOM 388 CB LYS A 27 -11.874 -4.800 -2.564 1.00 0.00 C ATOM 389 CG LYS A 27 -13.031 -4.508 -3.527 1.00 0.00 C ATOM 390 CD LYS A 27 -13.233 -5.677 -4.505 1.00 0.00 C ATOM 391 CE LYS A 27 -14.582 -5.601 -5.239 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.722 -5.949 -4.362 1.00 0.00 N ATOM 0 H LYS A 27 -9.945 -3.232 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.513 -3.032 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.981 -5.062 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.121 -5.661 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.947 -4.338 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.826 -3.593 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.424 -5.679 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.172 -6.618 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.723 -4.594 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.566 -6.276 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.596 -5.982 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.554 -6.879 -3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.818 -5.231 -3.616 1.00 0.00 H new ATOM 406 N LEU A 28 -9.839 -3.723 0.080 1.00 0.00 N ATOM 407 CA LEU A 28 -9.274 -4.234 1.302 1.00 0.00 C ATOM 408 C LEU A 28 -9.858 -3.535 2.526 1.00 0.00 C ATOM 409 O LEU A 28 -9.969 -2.310 2.591 1.00 0.00 O ATOM 410 CB LEU A 28 -7.757 -4.069 1.310 1.00 0.00 C ATOM 411 CG LEU A 28 -6.941 -4.886 0.300 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.151 -5.937 1.066 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.750 -5.645 -0.749 1.00 0.00 C ATOM 0 H LEU A 28 -9.200 -3.150 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.526 -5.293 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.534 -3.015 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.399 -4.318 2.309 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.334 -4.153 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.562 -6.531 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.485 -5.446 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.839 -6.588 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.073 -6.187 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.416 -6.351 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.340 -4.939 -1.334 1.00 0.00 H new ATOM 425 N GLN A 29 -10.176 -4.345 3.530 1.00 0.00 N ATOM 426 CA GLN A 29 -10.735 -3.869 4.783 1.00 0.00 C ATOM 427 C GLN A 29 -9.781 -2.887 5.475 1.00 0.00 C ATOM 428 O GLN A 29 -8.688 -3.263 5.891 1.00 0.00 O ATOM 429 CB GLN A 29 -11.164 -5.053 5.656 1.00 0.00 C ATOM 430 CG GLN A 29 -9.983 -5.943 6.044 1.00 0.00 C ATOM 431 CD GLN A 29 -10.286 -7.422 5.828 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.200 -7.971 6.431 1.00 0.00 O ATOM 433 NE2 GLN A 29 -9.542 -8.075 4.937 1.00 0.00 N ATOM 0 H GLN A 29 -10.051 -5.357 3.494 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.641 -3.295 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.647 -4.680 6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.904 -5.648 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.109 -5.662 5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.730 -5.774 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.787 -7.591 4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.727 -9.059 4.741 1.00 0.00 H new ATOM 442 N GLY A 30 -10.191 -1.621 5.584 1.00 0.00 N ATOM 443 CA GLY A 30 -9.454 -0.595 6.309 1.00 0.00 C ATOM 444 C GLY A 30 -8.822 0.440 5.391 1.00 0.00 C ATOM 445 O GLY A 30 -8.451 1.513 5.864 1.00 0.00 O ATOM 0 H GLY A 30 -11.056 -1.280 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.128 -0.094 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.674 -1.068 6.906 1.00 0.00 H new ATOM 449 N VAL A 31 -8.695 0.142 4.096 1.00 0.00 N ATOM 450 CA VAL A 31 -8.106 1.060 3.151 1.00 0.00 C ATOM 451 C VAL A 31 -9.150 2.107 2.775 1.00 0.00 C ATOM 452 O VAL A 31 -10.279 1.768 2.427 1.00 0.00 O ATOM 453 CB VAL A 31 -7.612 0.236 1.953 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.430 1.082 0.697 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.293 -0.454 2.312 1.00 0.00 C ATOM 0 H VAL A 31 -9.000 -0.741 3.686 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.252 1.599 3.563 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.377 -0.508 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.080 0.451 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.383 1.535 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.698 1.866 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.944 -1.038 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.546 0.298 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.448 -1.114 3.166 1.00 0.00 H new ATOM 465 N GLN A 32 -8.756 3.378 2.853 1.00 0.00 N ATOM 466 CA GLN A 32 -9.558 4.513 2.435 1.00 0.00 C ATOM 467 C GLN A 32 -9.154 4.929 1.023 1.00 0.00 C ATOM 468 O GLN A 32 -10.015 5.083 0.159 1.00 0.00 O ATOM 469 CB GLN A 32 -9.435 5.645 3.458 1.00 0.00 C ATOM 470 CG GLN A 32 -10.728 5.831 4.257 1.00 0.00 C ATOM 471 CD GLN A 32 -11.816 6.552 3.460 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.674 6.793 2.265 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.928 6.889 4.106 1.00 0.00 N ATOM 0 H GLN A 32 -7.843 3.647 3.220 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.613 4.243 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.613 5.430 4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.188 6.574 2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.100 4.856 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.512 6.397 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.024 6.679 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.685 7.358 3.608 1.00 0.00 H new ATOM 482 N ARG A 33 -7.851 5.093 0.754 1.00 0.00 N ATOM 483 CA ARG A 33 -7.406 5.390 -0.602 1.00 0.00 C ATOM 484 C ARG A 33 -5.985 4.890 -0.823 1.00 0.00 C ATOM 485 O ARG A 33 -5.308 4.492 0.126 1.00 0.00 O ATOM 486 CB ARG A 33 -7.543 6.899 -0.895 1.00 0.00 C ATOM 487 CG ARG A 33 -7.860 7.176 -2.377 1.00 0.00 C ATOM 488 CD ARG A 33 -9.057 8.126 -2.546 1.00 0.00 C ATOM 489 NE ARG A 33 -8.692 9.546 -2.412 1.00 0.00 N ATOM 490 CZ ARG A 33 -8.233 10.306 -3.422 1.00 0.00 C ATOM 491 NH1 ARG A 33 -7.863 9.729 -4.571 1.00 0.00 N ATOM 492 NH2 ARG A 33 -8.134 11.633 -3.277 1.00 0.00 N ATOM 0 H ARG A 33 -7.105 5.026 1.446 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.046 4.861 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.333 7.319 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.618 7.406 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.984 7.609 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.071 6.234 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.506 7.964 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.816 7.881 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.794 9.981 -1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.930 8.717 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.514 10.301 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.407 12.072 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.785 12.205 -4.046 1.00 0.00 H new ATOM 506 N ILE A 34 -5.541 4.929 -2.081 1.00 0.00 N ATOM 507 CA ILE A 34 -4.240 4.456 -2.510 1.00 0.00 C ATOM 508 C ILE A 34 -3.709 5.366 -3.625 1.00 0.00 C ATOM 509 O ILE A 34 -4.504 5.978 -4.339 1.00 0.00 O ATOM 510 CB ILE A 34 -4.341 2.967 -2.899 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.933 2.434 -3.188 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.291 2.732 -4.092 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.825 0.916 -3.019 1.00 0.00 C ATOM 0 H ILE A 34 -6.101 5.304 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.510 4.510 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.775 2.418 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.650 2.702 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.222 2.920 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.326 1.668 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.291 3.080 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.928 3.282 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.806 0.597 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.079 0.645 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.514 0.424 -3.705 1.00 0.00 H new ATOM 525 N LYS A 35 -2.381 5.509 -3.703 1.00 0.00 N ATOM 526 CA LYS A 35 -1.625 6.129 -4.783 1.00 0.00 C ATOM 527 C LYS A 35 -0.319 5.336 -4.955 1.00 0.00 C ATOM 528 O LYS A 35 0.623 5.560 -4.196 1.00 0.00 O ATOM 529 CB LYS A 35 -1.293 7.591 -4.452 1.00 0.00 C ATOM 530 CG LYS A 35 -2.480 8.560 -4.545 1.00 0.00 C ATOM 531 CD LYS A 35 -3.019 8.942 -3.159 1.00 0.00 C ATOM 532 CE LYS A 35 -3.887 10.205 -3.256 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.252 10.727 -1.923 1.00 0.00 N ATOM 0 H LYS A 35 -1.770 5.170 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.217 6.117 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.884 7.636 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.510 7.933 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.172 9.461 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.277 8.102 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.606 8.120 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.189 9.114 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.349 10.973 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.793 9.980 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.838 11.579 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.787 10.004 -1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.388 10.966 -1.395 1.00 0.00 H new ATOM 547 N VAL A 36 -0.247 4.416 -5.917 1.00 0.00 N ATOM 548 CA VAL A 36 0.951 3.630 -6.228 1.00 0.00 C ATOM 549 C VAL A 36 1.656 4.252 -7.439 1.00 0.00 C ATOM 550 O VAL A 36 1.019 4.468 -8.467 1.00 0.00 O ATOM 551 CB VAL A 36 0.573 2.156 -6.477 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.786 1.295 -6.857 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.071 1.505 -5.247 1.00 0.00 C ATOM 0 H VAL A 36 -1.040 4.190 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 36 1.639 3.646 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.137 2.190 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.465 0.266 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.237 1.685 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.518 1.322 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.319 0.468 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.627 1.538 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.979 2.046 -4.983 1.00 0.00 H new ATOM 563 N SER A 37 2.964 4.530 -7.337 1.00 0.00 N ATOM 564 CA SER A 37 3.738 5.149 -8.408 1.00 0.00 C ATOM 565 C SER A 37 4.608 4.103 -9.120 1.00 0.00 C ATOM 566 O SER A 37 5.580 3.596 -8.549 1.00 0.00 O ATOM 567 CB SER A 37 4.568 6.301 -7.832 1.00 0.00 C ATOM 568 OG SER A 37 5.060 7.120 -8.873 1.00 0.00 O ATOM 0 H SER A 37 3.512 4.328 -6.501 1.00 0.00 H new ATOM 0 HA SER A 37 3.065 5.561 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.957 6.894 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.399 5.904 -7.249 1.00 0.00 H new ATOM 0 HG SER A 37 5.587 7.853 -8.491 1.00 0.00 H new ATOM 574 N LEU A 38 4.253 3.784 -10.370 1.00 0.00 N ATOM 575 CA LEU A 38 5.044 2.929 -11.253 1.00 0.00 C ATOM 576 C LEU A 38 6.383 3.634 -11.514 1.00 0.00 C ATOM 577 O LEU A 38 6.483 4.839 -11.280 1.00 0.00 O ATOM 578 CB LEU A 38 4.258 2.651 -12.553 1.00 0.00 C ATOM 579 CG LEU A 38 4.228 1.182 -13.013 1.00 0.00 C ATOM 580 CD1 LEU A 38 3.227 1.087 -14.152 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.609 0.667 -13.403 1.00 0.00 C ATOM 0 H LEU A 38 3.392 4.121 -10.801 1.00 0.00 H new ATOM 0 HA LEU A 38 5.244 1.960 -10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.231 2.990 -12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.688 3.254 -13.352 1.00 0.00 H new ATOM 0 HG LEU A 38 3.918 0.537 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.176 0.058 -14.507 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.244 1.398 -13.799 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.542 1.737 -14.968 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.533 -0.373 -13.720 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.003 1.268 -14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.279 0.737 -12.546 1.00 0.00 H new ATOM 593 N ASP A 39 7.413 2.878 -11.910 1.00 0.00 N ATOM 594 CA ASP A 39 8.804 3.257 -12.116 1.00 0.00 C ATOM 595 C ASP A 39 9.472 3.517 -10.780 1.00 0.00 C ATOM 596 O ASP A 39 10.501 2.929 -10.458 1.00 0.00 O ATOM 597 CB ASP A 39 8.957 4.488 -13.002 1.00 0.00 C ATOM 598 CG ASP A 39 8.502 4.251 -14.437 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.270 4.214 -14.651 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.397 4.116 -15.298 1.00 0.00 O ATOM 0 H ASP A 39 7.273 1.888 -12.113 1.00 0.00 H new ATOM 0 HA ASP A 39 9.284 2.423 -12.628 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.381 5.309 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.002 4.799 -13.005 1.00 0.00 H new ATOM 605 N ASN A 40 8.879 4.426 -10.009 1.00 0.00 N ATOM 606 CA ASN A 40 9.430 4.881 -8.756 1.00 0.00 C ATOM 607 C ASN A 40 9.475 3.737 -7.731 1.00 0.00 C ATOM 608 O ASN A 40 10.305 3.741 -6.822 1.00 0.00 O ATOM 609 CB ASN A 40 8.616 6.076 -8.243 1.00 0.00 C ATOM 610 CG ASN A 40 9.384 7.015 -7.312 1.00 0.00 C ATOM 611 OD1 ASN A 40 9.203 8.227 -7.378 1.00 0.00 O ATOM 612 ND2 ASN A 40 10.235 6.504 -6.427 1.00 0.00 N ATOM 0 H ASN A 40 7.991 4.867 -10.249 1.00 0.00 H new ATOM 0 HA ASN A 40 10.458 5.208 -8.911 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.256 6.648 -9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.738 5.702 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.745 7.121 -5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.378 5.495 -6.381 1.00 0.00 H new ATOM 619 N GLN A 41 8.537 2.787 -7.857 1.00 0.00 N ATOM 620 CA GLN A 41 8.310 1.638 -6.967 1.00 0.00 C ATOM 621 C GLN A 41 7.879 2.060 -5.572 1.00 0.00 C ATOM 622 O GLN A 41 7.951 1.282 -4.624 1.00 0.00 O ATOM 623 CB GLN A 41 9.540 0.741 -6.849 1.00 0.00 C ATOM 624 CG GLN A 41 10.113 0.473 -8.225 1.00 0.00 C ATOM 625 CD GLN A 41 11.177 -0.618 -8.152 1.00 0.00 C ATOM 626 OE1 GLN A 41 10.902 -1.800 -8.353 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.403 -0.233 -7.809 1.00 0.00 N ATOM 0 H GLN A 41 7.874 2.801 -8.632 1.00 0.00 H new ATOM 0 HA GLN A 41 7.502 1.075 -7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.291 1.218 -6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.271 -0.199 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.317 0.169 -8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.547 1.387 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.601 0.755 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.145 -0.925 -7.706 1.00 0.00 H new ATOM 636 N GLU A 42 7.459 3.309 -5.464 1.00 0.00 N ATOM 637 CA GLU A 42 7.038 3.931 -4.215 1.00 0.00 C ATOM 638 C GLU A 42 5.515 4.080 -4.252 1.00 0.00 C ATOM 639 O GLU A 42 4.957 4.425 -5.296 1.00 0.00 O ATOM 640 CB GLU A 42 7.765 5.276 -4.049 1.00 0.00 C ATOM 641 CG GLU A 42 7.973 5.678 -2.577 1.00 0.00 C ATOM 642 CD GLU A 42 9.185 5.044 -1.889 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.818 4.114 -2.429 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.520 5.529 -0.786 1.00 0.00 O ATOM 0 H GLU A 42 7.399 3.938 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 42 7.299 3.321 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.735 5.221 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.194 6.055 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.072 6.762 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.077 5.413 -2.015 1.00 0.00 H new ATOM 651 N ALA A 43 4.826 3.821 -3.139 1.00 0.00 N ATOM 652 CA ALA A 43 3.374 3.934 -3.080 1.00 0.00 C ATOM 653 C ALA A 43 2.949 4.511 -1.740 1.00 0.00 C ATOM 654 O ALA A 43 3.687 4.407 -0.764 1.00 0.00 O ATOM 655 CB ALA A 43 2.748 2.565 -3.305 1.00 0.00 C ATOM 0 H ALA A 43 5.258 3.530 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 43 3.029 4.609 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.662 2.650 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.043 2.186 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.090 1.877 -2.532 1.00 0.00 H new ATOM 661 N THR A 44 1.766 5.120 -1.690 1.00 0.00 N ATOM 662 CA THR A 44 1.213 5.768 -0.535 1.00 0.00 C ATOM 663 C THR A 44 -0.204 5.224 -0.395 1.00 0.00 C ATOM 664 O THR A 44 -0.962 5.283 -1.362 1.00 0.00 O ATOM 665 CB THR A 44 1.217 7.275 -0.806 1.00 0.00 C ATOM 666 OG1 THR A 44 2.535 7.766 -1.003 1.00 0.00 O ATOM 667 CG2 THR A 44 0.580 8.013 0.361 1.00 0.00 C ATOM 0 H THR A 44 1.149 5.169 -2.500 1.00 0.00 H new ATOM 0 HA THR A 44 1.772 5.587 0.383 1.00 0.00 H new ATOM 0 HB THR A 44 0.644 7.448 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.503 8.730 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.586 9.084 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.448 7.674 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.144 7.810 1.271 1.00 0.00 H new ATOM 675 N ILE A 45 -0.560 4.685 0.771 1.00 0.00 N ATOM 676 CA ILE A 45 -1.908 4.218 1.062 1.00 0.00 C ATOM 677 C ILE A 45 -2.427 5.054 2.234 1.00 0.00 C ATOM 678 O ILE A 45 -1.619 5.548 3.021 1.00 0.00 O ATOM 679 CB ILE A 45 -1.932 2.717 1.349 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.193 1.956 0.237 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.379 2.184 1.388 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.637 0.655 0.780 1.00 0.00 C ATOM 0 H ILE A 45 0.090 4.561 1.547 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.561 4.350 0.199 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.451 2.563 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.873 1.753 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.384 2.570 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.367 1.114 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.935 2.698 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.859 2.363 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.115 0.122 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.058 0.867 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.454 0.038 1.154 1.00 0.00 H new ATOM 694 N VAL A 46 -3.745 5.231 2.358 1.00 0.00 N ATOM 695 CA VAL A 46 -4.361 5.834 3.529 1.00 0.00 C ATOM 696 C VAL A 46 -5.296 4.803 4.164 1.00 0.00 C ATOM 697 O VAL A 46 -6.174 4.268 3.482 1.00 0.00 O ATOM 698 CB VAL A 46 -4.954 7.212 3.216 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.180 7.106 2.353 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.273 8.016 4.480 1.00 0.00 C ATOM 0 H VAL A 46 -4.415 4.956 1.639 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.623 6.077 4.293 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.183 7.750 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.571 8.103 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.921 6.622 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.938 6.516 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.690 8.983 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.996 7.470 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.359 8.168 5.055 1.00 0.00 H new ATOM 710 N TYR A 47 -5.043 4.459 5.429 1.00 0.00 N ATOM 711 CA TYR A 47 -5.753 3.430 6.184 1.00 0.00 C ATOM 712 C TYR A 47 -5.591 3.688 7.680 1.00 0.00 C ATOM 713 O TYR A 47 -4.974 4.676 8.068 1.00 0.00 O ATOM 714 CB TYR A 47 -5.262 2.027 5.806 1.00 0.00 C ATOM 715 CG TYR A 47 -3.807 1.734 6.106 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.406 1.289 7.379 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.879 1.745 5.055 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.115 0.772 7.566 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.615 1.165 5.228 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.238 0.656 6.479 1.00 0.00 C ATOM 721 OH TYR A 47 -0.047 0.012 6.602 1.00 0.00 O ATOM 0 H TYR A 47 -4.308 4.909 5.975 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.813 3.478 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.876 1.295 6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.430 1.879 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.091 1.345 8.212 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.139 2.201 4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.796 0.463 8.550 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.929 1.110 4.395 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.202 -0.906 6.907 1.00 0.00 H new ATOM 731 N GLN A 48 -6.172 2.837 8.531 1.00 0.00 N ATOM 732 CA GLN A 48 -6.015 2.921 9.968 1.00 0.00 C ATOM 733 C GLN A 48 -5.883 1.546 10.624 1.00 0.00 C ATOM 734 O GLN A 48 -6.465 0.585 10.114 1.00 0.00 O ATOM 735 CB GLN A 48 -7.185 3.705 10.541 1.00 0.00 C ATOM 736 CG GLN A 48 -8.474 3.473 9.761 1.00 0.00 C ATOM 737 CD GLN A 48 -9.678 4.076 10.475 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.896 3.816 11.653 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.435 4.935 9.798 1.00 0.00 N ATOM 0 H GLN A 48 -6.768 2.067 8.229 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.083 3.441 10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.336 3.419 11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.945 4.768 10.534 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.382 3.911 8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.630 2.403 9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.231 5.133 8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.220 5.396 10.258 1.00 0.00 H new ATOM 748 N PRO A 49 -5.188 1.447 11.773 1.00 0.00 N ATOM 749 CA PRO A 49 -4.870 0.187 12.423 1.00 0.00 C ATOM 750 C PRO A 49 -6.081 -0.261 13.242 1.00 0.00 C ATOM 751 O PRO A 49 -6.047 -0.308 14.470 1.00 0.00 O ATOM 752 CB PRO A 49 -3.647 0.497 13.288 1.00 0.00 C ATOM 753 CG PRO A 49 -3.917 1.926 13.751 1.00 0.00 C ATOM 754 CD PRO A 49 -4.627 2.551 12.547 1.00 0.00 C ATOM 0 HA PRO A 49 -4.648 -0.629 11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.561 -0.191 14.129 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.720 0.424 12.719 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.541 1.949 14.644 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.994 2.453 13.993 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.412 3.234 12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.929 3.131 11.944 1.00 0.00 H new ATOM 762 N HIS A 50 -7.176 -0.544 12.539 1.00 0.00 N ATOM 763 CA HIS A 50 -8.433 -1.003 13.103 1.00 0.00 C ATOM 764 C HIS A 50 -8.854 -2.242 12.331 1.00 0.00 C ATOM 765 O HIS A 50 -8.973 -3.327 12.892 1.00 0.00 O ATOM 766 CB HIS A 50 -9.485 0.117 13.010 1.00 0.00 C ATOM 767 CG HIS A 50 -9.906 0.632 14.359 1.00 0.00 C ATOM 768 ND1 HIS A 50 -9.260 1.597 15.097 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.963 0.176 15.100 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.931 1.729 16.256 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.976 0.887 16.303 1.00 0.00 N ATOM 0 H HIS A 50 -7.208 -0.455 11.523 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.328 -1.255 14.158 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.082 0.941 12.421 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.361 -0.256 12.479 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.661 -0.594 14.808 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.665 2.419 17.043 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.646 0.786 17.065 1.00 0.00 H new ATOM 779 N LEU A 51 -9.065 -2.069 11.025 1.00 0.00 N ATOM 780 CA LEU A 51 -9.453 -3.157 10.144 1.00 0.00 C ATOM 781 C LEU A 51 -8.233 -3.886 9.575 1.00 0.00 C ATOM 782 O LEU A 51 -8.385 -5.022 9.134 1.00 0.00 O ATOM 783 CB LEU A 51 -10.348 -2.603 9.033 1.00 0.00 C ATOM 784 CG LEU A 51 -11.773 -2.323 9.534 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.488 -1.402 8.542 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.565 -3.627 9.726 1.00 0.00 C ATOM 0 H LEU A 51 -8.970 -1.169 10.555 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.012 -3.897 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.913 -1.683 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.386 -3.315 8.208 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.711 -1.833 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.500 -1.202 8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.941 -0.463 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.534 -1.884 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.569 -3.394 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.630 -4.156 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.058 -4.256 10.458 1.00 0.00 H new ATOM 798 N ILE A 52 -7.044 -3.262 9.562 1.00 0.00 N ATOM 799 CA ILE A 52 -5.848 -3.854 8.996 1.00 0.00 C ATOM 800 C ILE A 52 -4.758 -3.969 10.054 1.00 0.00 C ATOM 801 O ILE A 52 -4.610 -3.081 10.891 1.00 0.00 O ATOM 802 CB ILE A 52 -5.426 -3.055 7.763 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.425 -3.814 6.896 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.822 -1.718 8.157 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.067 -5.057 6.289 1.00 0.00 C ATOM 0 H ILE A 52 -6.898 -2.329 9.948 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.046 -4.873 8.664 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.333 -2.892 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.059 -3.164 6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.562 -4.101 7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.531 -1.172 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.557 -1.137 8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.944 -1.885 8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.335 -5.582 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.411 -5.716 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.915 -4.763 5.671 1.00 0.00 H new ATOM 817 N SER A 53 -3.952 -5.030 9.986 1.00 0.00 N ATOM 818 CA SER A 53 -2.925 -5.319 10.980 1.00 0.00 C ATOM 819 C SER A 53 -1.613 -4.577 10.743 1.00 0.00 C ATOM 820 O SER A 53 -0.543 -5.062 11.103 1.00 0.00 O ATOM 821 CB SER A 53 -2.698 -6.816 11.058 1.00 0.00 C ATOM 822 OG SER A 53 -3.904 -7.479 11.387 1.00 0.00 O ATOM 0 H SER A 53 -3.997 -5.716 9.233 1.00 0.00 H new ATOM 0 HA SER A 53 -3.297 -4.950 11.936 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.322 -7.184 10.103 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.938 -7.037 11.807 1.00 0.00 H new ATOM 0 HG SER A 53 -4.085 -8.177 10.723 1.00 0.00 H new ATOM 828 N VAL A 54 -1.712 -3.411 10.115 1.00 0.00 N ATOM 829 CA VAL A 54 -0.669 -2.452 9.807 1.00 0.00 C ATOM 830 C VAL A 54 0.242 -2.987 8.710 1.00 0.00 C ATOM 831 O VAL A 54 0.324 -2.414 7.627 1.00 0.00 O ATOM 832 CB VAL A 54 0.012 -1.932 11.092 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.496 -2.271 11.206 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.113 -0.412 11.118 1.00 0.00 C ATOM 0 H VAL A 54 -2.618 -3.086 9.777 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.097 -1.548 9.374 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.493 -2.424 11.924 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.891 -1.867 12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.624 -3.353 11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.035 -1.835 10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.362 -0.023 12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.376 0.008 10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.167 -0.133 11.115 1.00 0.00 H new ATOM 844 N GLU A 55 0.873 -4.119 8.980 1.00 0.00 N ATOM 845 CA GLU A 55 1.781 -4.789 8.083 1.00 0.00 C ATOM 846 C GLU A 55 0.967 -5.458 6.982 1.00 0.00 C ATOM 847 O GLU A 55 1.358 -5.415 5.813 1.00 0.00 O ATOM 848 CB GLU A 55 2.604 -5.781 8.900 1.00 0.00 C ATOM 849 CG GLU A 55 3.905 -6.217 8.213 1.00 0.00 C ATOM 850 CD GLU A 55 4.961 -5.122 8.068 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.969 -4.214 8.924 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.749 -5.235 7.097 1.00 0.00 O ATOM 0 H GLU A 55 0.757 -4.610 9.867 1.00 0.00 H new ATOM 0 HA GLU A 55 2.473 -4.098 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.845 -5.332 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.997 -6.663 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.336 -7.043 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.663 -6.600 7.222 1.00 0.00 H new ATOM 859 N GLU A 56 -0.172 -6.068 7.365 1.00 0.00 N ATOM 860 CA GLU A 56 -1.003 -6.850 6.460 1.00 0.00 C ATOM 861 C GLU A 56 -1.160 -6.164 5.113 1.00 0.00 C ATOM 862 O GLU A 56 -0.963 -6.787 4.075 1.00 0.00 O ATOM 863 CB GLU A 56 -2.400 -7.054 7.043 1.00 0.00 C ATOM 864 CG GLU A 56 -2.628 -8.471 7.553 1.00 0.00 C ATOM 865 CD GLU A 56 -4.104 -8.638 7.872 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.872 -8.697 6.886 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.425 -8.612 9.078 1.00 0.00 O ATOM 0 H GLU A 56 -0.534 -6.025 8.318 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.501 -7.809 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.553 -6.350 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.144 -6.824 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.318 -9.198 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.025 -8.655 8.442 1.00 0.00 H new ATOM 874 N MET A 57 -1.523 -4.882 5.150 1.00 0.00 N ATOM 875 CA MET A 57 -1.736 -4.075 3.978 1.00 0.00 C ATOM 876 C MET A 57 -0.645 -4.322 2.932 1.00 0.00 C ATOM 877 O MET A 57 -0.925 -4.696 1.796 1.00 0.00 O ATOM 878 CB MET A 57 -1.808 -2.612 4.422 1.00 0.00 C ATOM 879 CG MET A 57 -3.044 -1.937 3.844 1.00 0.00 C ATOM 880 SD MET A 57 -3.067 -1.688 2.057 1.00 0.00 S ATOM 881 CE MET A 57 -3.954 -3.172 1.546 1.00 0.00 C ATOM 0 H MET A 57 -1.677 -4.376 6.022 1.00 0.00 H new ATOM 0 HA MET A 57 -2.674 -4.344 3.492 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.833 -2.557 5.510 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.912 -2.083 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.916 -2.532 4.116 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.158 -0.965 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.299 -3.797 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.271 -3.728 2.428 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.830 -2.889 0.961 1.00 0.00 H new ATOM 891 N LYS A 58 0.615 -4.184 3.341 1.00 0.00 N ATOM 892 CA LYS A 58 1.745 -4.436 2.470 1.00 0.00 C ATOM 893 C LYS A 58 1.839 -5.919 2.121 1.00 0.00 C ATOM 894 O LYS A 58 2.062 -6.268 0.966 1.00 0.00 O ATOM 895 CB LYS A 58 3.012 -3.913 3.146 1.00 0.00 C ATOM 896 CG LYS A 58 4.272 -4.139 2.299 1.00 0.00 C ATOM 897 CD LYS A 58 5.090 -5.363 2.720 1.00 0.00 C ATOM 898 CE LYS A 58 5.763 -5.262 4.093 1.00 0.00 C ATOM 899 NZ LYS A 58 6.856 -6.238 4.242 1.00 0.00 N ATOM 0 H LYS A 58 0.873 -3.895 4.284 1.00 0.00 H new ATOM 0 HA LYS A 58 1.617 -3.908 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.899 -2.847 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.134 -4.406 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.981 -4.250 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.904 -3.253 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.436 -6.235 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.860 -5.541 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.155 -4.254 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.021 -5.426 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.747 -6.746 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.824 -6.918 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.769 -5.741 4.233 1.00 0.00 H new ATOM 913 N LYS A 59 1.685 -6.803 3.108 1.00 0.00 N ATOM 914 CA LYS A 59 1.755 -8.242 2.877 1.00 0.00 C ATOM 915 C LYS A 59 0.787 -8.698 1.775 1.00 0.00 C ATOM 916 O LYS A 59 1.113 -9.599 1.004 1.00 0.00 O ATOM 917 CB LYS A 59 1.556 -9.007 4.191 1.00 0.00 C ATOM 918 CG LYS A 59 2.527 -8.576 5.307 1.00 0.00 C ATOM 919 CD LYS A 59 4.020 -8.593 4.932 1.00 0.00 C ATOM 920 CE LYS A 59 4.440 -10.046 4.630 1.00 0.00 C ATOM 921 NZ LYS A 59 5.884 -10.189 4.359 1.00 0.00 N ATOM 0 H LYS A 59 1.510 -6.543 4.079 1.00 0.00 H new ATOM 0 HA LYS A 59 2.754 -8.477 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.532 -8.862 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.681 -10.073 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.262 -7.568 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.379 -9.231 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.198 -7.960 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.619 -8.189 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.171 -10.678 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.878 -10.409 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.042 -11.013 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.235 -9.332 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.394 -10.323 5.255 1.00 0.00 H new ATOM 935 N GLN A 60 -0.379 -8.057 1.657 1.00 0.00 N ATOM 936 CA GLN A 60 -1.364 -8.368 0.634 1.00 0.00 C ATOM 937 C GLN A 60 -0.782 -8.067 -0.744 1.00 0.00 C ATOM 938 O GLN A 60 -0.941 -8.840 -1.684 1.00 0.00 O ATOM 939 CB GLN A 60 -2.628 -7.545 0.875 1.00 0.00 C ATOM 940 CG GLN A 60 -3.180 -7.726 2.300 1.00 0.00 C ATOM 941 CD GLN A 60 -4.533 -8.433 2.402 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.096 -8.883 1.408 1.00 0.00 O ATOM 943 NE2 GLN A 60 -5.079 -8.547 3.611 1.00 0.00 N ATOM 0 H GLN A 60 -0.663 -7.300 2.279 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.622 -9.426 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.411 -6.491 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.391 -7.835 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.452 -8.289 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.268 -6.743 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.597 -8.167 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.979 -9.014 3.722 1.00 0.00 H new ATOM 952 N ILE A 61 -0.094 -6.931 -0.846 1.00 0.00 N ATOM 953 CA ILE A 61 0.693 -6.606 -2.031 1.00 0.00 C ATOM 954 C ILE A 61 1.812 -7.632 -2.239 1.00 0.00 C ATOM 955 O ILE A 61 1.963 -8.105 -3.362 1.00 0.00 O ATOM 956 CB ILE A 61 1.198 -5.154 -2.016 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.070 -4.155 -2.337 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.280 -4.919 -3.079 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.626 -3.654 -1.081 1.00 0.00 C ATOM 0 H ILE A 61 -0.067 -6.218 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 61 0.036 -6.672 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 61 1.590 -4.996 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.482 -3.308 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.661 -4.632 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.612 -3.882 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.127 -5.579 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.871 -5.130 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.413 -2.952 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.062 -4.497 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.098 -3.153 -0.439 1.00 0.00 H new ATOM 971 N GLU A 62 2.583 -8.000 -1.204 1.00 0.00 N ATOM 972 CA GLU A 62 3.667 -8.974 -1.369 1.00 0.00 C ATOM 973 C GLU A 62 3.107 -10.217 -2.058 1.00 0.00 C ATOM 974 O GLU A 62 3.616 -10.679 -3.082 1.00 0.00 O ATOM 975 CB GLU A 62 4.335 -9.348 -0.039 1.00 0.00 C ATOM 976 CG GLU A 62 4.963 -8.106 0.597 1.00 0.00 C ATOM 977 CD GLU A 62 6.199 -8.419 1.422 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.182 -8.872 0.811 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.154 -8.218 2.662 1.00 0.00 O ATOM 0 H GLU A 62 2.476 -7.641 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 62 4.445 -8.518 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.599 -9.781 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.099 -10.107 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.227 -7.398 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.224 -7.617 1.232 1.00 0.00 H new ATOM 986 N ALA A 63 1.994 -10.693 -1.496 1.00 0.00 N ATOM 987 CA ALA A 63 1.243 -11.854 -1.930 1.00 0.00 C ATOM 988 C ALA A 63 0.750 -11.780 -3.382 1.00 0.00 C ATOM 989 O ALA A 63 0.452 -12.822 -3.960 1.00 0.00 O ATOM 990 CB ALA A 63 0.077 -12.061 -0.964 1.00 0.00 C ATOM 0 H ALA A 63 1.576 -10.247 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 63 1.920 -12.708 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.502 -12.931 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.463 -12.221 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.563 -11.179 -0.971 1.00 0.00 H new ATOM 996 N MET A 64 0.667 -10.590 -3.994 1.00 0.00 N ATOM 997 CA MET A 64 0.385 -10.488 -5.425 1.00 0.00 C ATOM 998 C MET A 64 1.493 -11.168 -6.232 1.00 0.00 C ATOM 999 O MET A 64 1.233 -11.701 -7.309 1.00 0.00 O ATOM 1000 CB MET A 64 0.243 -9.022 -5.858 1.00 0.00 C ATOM 1001 CG MET A 64 -0.939 -8.325 -5.175 1.00 0.00 C ATOM 1002 SD MET A 64 -2.582 -8.970 -5.582 1.00 0.00 S ATOM 1003 CE MET A 64 -2.713 -8.449 -7.309 1.00 0.00 C ATOM 0 H MET A 64 0.791 -9.694 -3.522 1.00 0.00 H new ATOM 0 HA MET A 64 -0.561 -10.994 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.163 -8.486 -5.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.114 -8.976 -6.939 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.801 -8.392 -4.096 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.911 -7.267 -5.435 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.728 -8.625 -7.666 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.480 -7.387 -7.387 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.010 -9.020 -7.916 1.00 0.00 H new ATOM 1013 N GLY A 65 2.722 -11.142 -5.705 1.00 0.00 N ATOM 1014 CA GLY A 65 3.875 -11.834 -6.264 1.00 0.00 C ATOM 1015 C GLY A 65 5.006 -10.863 -6.587 1.00 0.00 C ATOM 1016 O GLY A 65 5.681 -11.026 -7.600 1.00 0.00 O ATOM 0 H GLY A 65 2.942 -10.623 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.229 -12.584 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.579 -12.364 -7.169 1.00 0.00 H new ATOM 1020 N PHE A 66 5.228 -9.869 -5.719 1.00 0.00 N ATOM 1021 CA PHE A 66 6.263 -8.853 -5.888 1.00 0.00 C ATOM 1022 C PHE A 66 6.790 -8.499 -4.500 1.00 0.00 C ATOM 1023 O PHE A 66 5.973 -8.172 -3.648 1.00 0.00 O ATOM 1024 CB PHE A 66 5.663 -7.602 -6.545 1.00 0.00 C ATOM 1025 CG PHE A 66 5.179 -7.834 -7.961 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.114 -8.124 -8.972 1.00 0.00 C ATOM 1027 CD2 PHE A 66 3.800 -7.926 -8.236 1.00 0.00 C ATOM 1028 CE1 PHE A 66 5.676 -8.572 -10.228 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.363 -8.323 -9.512 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.301 -8.677 -10.498 1.00 0.00 C ATOM 0 H PHE A 66 4.682 -9.750 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 66 7.066 -9.227 -6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.830 -7.248 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.412 -6.810 -6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.170 -8.002 -8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.079 -7.692 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.397 -8.836 -10.988 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.307 -8.356 -9.735 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.965 -9.029 -11.462 1.00 0.00 H new ATOM 1040 N PRO A 67 8.101 -8.570 -4.230 1.00 0.00 N ATOM 1041 CA PRO A 67 8.632 -8.329 -2.897 1.00 0.00 C ATOM 1042 C PRO A 67 8.426 -6.861 -2.520 1.00 0.00 C ATOM 1043 O PRO A 67 9.087 -5.983 -3.068 1.00 0.00 O ATOM 1044 CB PRO A 67 10.112 -8.717 -2.985 1.00 0.00 C ATOM 1045 CG PRO A 67 10.462 -8.469 -4.455 1.00 0.00 C ATOM 1046 CD PRO A 67 9.168 -8.829 -5.184 1.00 0.00 C ATOM 0 HA PRO A 67 8.133 -8.908 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.726 -8.111 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.271 -9.758 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.749 -7.433 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.295 -9.091 -4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.044 -8.227 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.171 -9.873 -5.496 1.00 0.00 H new ATOM 1054 N ALA A 68 7.497 -6.580 -1.601 1.00 0.00 N ATOM 1055 CA ALA A 68 7.143 -5.222 -1.231 1.00 0.00 C ATOM 1056 C ALA A 68 7.698 -4.932 0.161 1.00 0.00 C ATOM 1057 O ALA A 68 8.359 -5.773 0.770 1.00 0.00 O ATOM 1058 CB ALA A 68 5.623 -5.058 -1.334 1.00 0.00 C ATOM 0 H ALA A 68 6.973 -7.295 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 68 7.584 -4.490 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.347 -4.040 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.304 -5.255 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.135 -5.762 -0.660 1.00 0.00 H new ATOM 1064 N PHE A 69 7.433 -3.744 0.699 1.00 0.00 N ATOM 1065 CA PHE A 69 8.016 -3.336 1.965 1.00 0.00 C ATOM 1066 C PHE A 69 7.273 -2.145 2.569 1.00 0.00 C ATOM 1067 O PHE A 69 6.611 -1.409 1.846 1.00 0.00 O ATOM 1068 CB PHE A 69 9.517 -3.053 1.809 1.00 0.00 C ATOM 1069 CG PHE A 69 10.313 -3.447 3.030 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.778 -4.769 3.153 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.543 -2.523 4.065 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.491 -5.159 4.298 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.216 -2.926 5.229 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.697 -4.242 5.344 1.00 0.00 C ATOM 0 H PHE A 69 6.818 -3.050 0.274 1.00 0.00 H new ATOM 0 HA PHE A 69 7.907 -4.164 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.897 -3.594 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.664 -1.991 1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.587 -5.484 2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.202 -1.503 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.881 -6.163 4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.364 -2.225 6.037 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.224 -4.549 6.235 1.00 0.00 H new ATOM 1084 N VAL A 70 7.357 -1.974 3.889 1.00 0.00 N ATOM 1085 CA VAL A 70 6.688 -0.923 4.651 1.00 0.00 C ATOM 1086 C VAL A 70 7.761 0.088 5.053 1.00 0.00 C ATOM 1087 O VAL A 70 8.718 -0.285 5.729 1.00 0.00 O ATOM 1088 CB VAL A 70 5.981 -1.570 5.864 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.672 -0.628 7.026 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.629 -2.138 5.433 1.00 0.00 C ATOM 0 H VAL A 70 7.916 -2.590 4.479 1.00 0.00 H new ATOM 0 HA VAL A 70 5.921 -0.403 4.077 1.00 0.00 H new ATOM 0 HB VAL A 70 6.692 -2.320 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.177 -1.183 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.600 -0.200 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.018 0.173 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.135 -2.593 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.006 -1.335 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.781 -2.892 4.660 1.00 0.00 H new