USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 36 SER OG : rot 180:sc= 0.938 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 164:sc= 2.19 (180deg=0.635) USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -0.028 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.248 X(o=0.22,f=-0.2) USER MOD Single : A 3 THR OG1 : rot 38:sc= 0.242 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 14 ASN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0255 X(o=-0.025,f=-0.026) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0711) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 26 GLN : amide:sc= -2.17! C(o=-2.2!,f=-7.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0482 F(o=-3,f=-0.048) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0293 (180deg=-0.255) USER MOD Single : A 52 THR OG1 : rot -53:sc= -0.974! USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0381) USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= 0.558 (180deg=-2.97!) USER MOD Single : A 56 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-8.2!) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= 1.28 (180deg=-0.638!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.82) USER MOD Single : A 75 MET CE :methyl 142:sc= -1.98 (180deg=-4.59!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 46:sc= 0.347 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.89) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.464 (180deg=-0.967) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -3.654 15.156 -0.693 1.00 0.00 N ATOM 26 CA THR A 3 -4.044 14.226 0.353 1.00 0.00 C ATOM 27 C THR A 3 -5.517 13.842 0.232 1.00 0.00 C ATOM 28 O THR A 3 -6.357 14.670 -0.131 1.00 0.00 O ATOM 29 CB THR A 3 -3.803 14.854 1.736 1.00 0.00 C ATOM 30 OG1 THR A 3 -2.491 15.426 1.793 1.00 0.00 O ATOM 31 CG2 THR A 3 -3.955 13.820 2.843 1.00 0.00 C ATOM 0 HA THR A 3 -3.436 13.328 0.240 1.00 0.00 H new ATOM 0 HB THR A 3 -4.550 15.634 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.280 15.846 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.779 14.293 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.964 13.407 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.231 13.019 2.694 1.00 0.00 H new ATOM 39 N ARG A 4 -5.825 12.586 0.553 1.00 0.00 N ATOM 40 CA ARG A 4 -7.179 12.061 0.555 1.00 0.00 C ATOM 41 C ARG A 4 -7.265 10.984 1.631 1.00 0.00 C ATOM 42 O ARG A 4 -6.246 10.395 1.992 1.00 0.00 O ATOM 43 CB ARG A 4 -7.530 11.471 -0.801 1.00 0.00 C ATOM 44 CG ARG A 4 -7.554 12.515 -1.885 1.00 0.00 C ATOM 45 CD ARG A 4 -6.507 12.253 -2.941 1.00 0.00 C ATOM 46 NE ARG A 4 -6.866 11.121 -3.778 1.00 0.00 N ATOM 47 CZ ARG A 4 -6.306 9.932 -3.691 1.00 0.00 C ATOM 48 NH1 ARG A 4 -5.304 9.727 -2.842 1.00 0.00 N ATOM 49 NH2 ARG A 4 -6.746 8.950 -4.459 1.00 0.00 N ATOM 0 H ARG A 4 -5.123 11.897 0.823 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.886 12.865 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.805 10.699 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.505 10.987 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.540 12.535 -2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.389 13.499 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.384 13.141 -3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.546 12.063 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.597 11.255 -4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.967 10.491 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.872 8.805 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.512 9.117 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.319 8.026 -4.399 1.00 0.00 H new ATOM 63 N ASN A 5 -8.455 10.749 2.155 1.00 0.00 N ATOM 64 CA ASN A 5 -8.643 9.784 3.229 1.00 0.00 C ATOM 65 C ASN A 5 -9.098 8.426 2.697 1.00 0.00 C ATOM 66 O ASN A 5 -9.972 8.347 1.830 1.00 0.00 O ATOM 67 CB ASN A 5 -9.682 10.308 4.219 1.00 0.00 C ATOM 68 CG ASN A 5 -9.215 11.519 4.996 1.00 0.00 C ATOM 69 OD1 ASN A 5 -8.677 11.398 6.096 1.00 0.00 O ATOM 70 ND2 ASN A 5 -9.421 12.693 4.432 1.00 0.00 N ATOM 0 H ASN A 5 -9.311 11.215 1.854 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.681 9.652 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.593 10.562 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.939 9.513 4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.131 13.546 4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.871 12.748 3.518 1.00 0.00 H new ATOM 77 N PHE A 6 -8.507 7.365 3.227 1.00 0.00 N ATOM 78 CA PHE A 6 -8.861 6.004 2.845 1.00 0.00 C ATOM 79 C PHE A 6 -9.052 5.106 4.065 1.00 0.00 C ATOM 80 O PHE A 6 -8.211 5.051 4.957 1.00 0.00 O ATOM 81 CB PHE A 6 -7.787 5.399 1.948 1.00 0.00 C ATOM 82 CG PHE A 6 -7.646 6.074 0.622 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.775 7.140 0.464 1.00 0.00 C ATOM 84 CD2 PHE A 6 -8.371 5.628 -0.471 1.00 0.00 C ATOM 85 CE1 PHE A 6 -6.626 7.747 -0.761 1.00 0.00 C ATOM 86 CE2 PHE A 6 -8.229 6.235 -1.701 1.00 0.00 C ATOM 87 CZ PHE A 6 -7.352 7.293 -1.846 1.00 0.00 C ATOM 0 H PHE A 6 -7.771 7.422 3.931 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.805 6.063 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.830 5.440 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.016 4.346 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.208 7.498 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.053 4.798 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.944 8.576 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.801 5.885 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.234 7.766 -2.810 1.00 0.00 H new ATOM 97 N VAL A 7 -10.172 4.413 4.081 1.00 0.00 N ATOM 98 CA VAL A 7 -10.438 3.441 5.134 1.00 0.00 C ATOM 99 C VAL A 7 -10.234 2.040 4.636 1.00 0.00 C ATOM 100 O VAL A 7 -11.063 1.473 3.941 1.00 0.00 O ATOM 101 CB VAL A 7 -11.844 3.505 5.710 1.00 0.00 C ATOM 102 CG1 VAL A 7 -11.897 2.794 7.055 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.330 4.928 5.834 1.00 0.00 C ATOM 0 H VAL A 7 -10.912 4.500 3.384 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.731 3.703 5.922 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.513 2.993 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.909 2.848 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.613 1.750 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.207 3.275 7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.338 4.933 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.663 5.484 6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.341 5.396 4.850 1.00 0.00 H new ATOM 113 N LEU A 8 -9.109 1.511 4.981 1.00 0.00 N ATOM 114 CA LEU A 8 -8.809 0.123 4.715 1.00 0.00 C ATOM 115 C LEU A 8 -9.782 -0.788 5.434 1.00 0.00 C ATOM 116 O LEU A 8 -10.216 -0.505 6.551 1.00 0.00 O ATOM 117 CB LEU A 8 -7.391 -0.218 5.163 1.00 0.00 C ATOM 118 CG LEU A 8 -6.993 -1.682 4.965 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.785 -1.783 4.061 1.00 0.00 C ATOM 120 CD2 LEU A 8 -6.714 -2.347 6.301 1.00 0.00 C ATOM 0 H LEU A 8 -8.363 2.019 5.456 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.899 -0.030 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.690 0.412 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.288 0.033 6.219 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.825 -2.203 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.515 -2.831 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.019 -1.345 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.949 -1.246 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.433 -3.387 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.900 -1.826 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.609 -2.306 6.922 1.00 0.00 H new ATOM 132 N ARG A 9 -10.105 -1.888 4.789 1.00 0.00 N ATOM 133 CA ARG A 9 -10.847 -2.948 5.423 1.00 0.00 C ATOM 134 C ARG A 9 -10.125 -4.230 5.096 1.00 0.00 C ATOM 135 O ARG A 9 -9.742 -4.452 3.947 1.00 0.00 O ATOM 136 CB ARG A 9 -12.317 -2.991 4.980 1.00 0.00 C ATOM 137 CG ARG A 9 -12.548 -3.358 3.524 1.00 0.00 C ATOM 138 CD ARG A 9 -14.026 -3.281 3.174 1.00 0.00 C ATOM 139 NE ARG A 9 -14.843 -4.165 4.010 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.593 -3.752 5.038 1.00 0.00 C ATOM 141 NH1 ARG A 9 -15.572 -2.479 5.408 1.00 0.00 N ATOM 142 NH2 ARG A 9 -16.356 -4.616 5.694 1.00 0.00 N ATOM 0 H ARG A 9 -9.861 -2.069 3.815 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.889 -2.785 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.847 -3.709 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.764 -2.014 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.982 -2.684 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.177 -4.365 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.371 -2.254 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.163 -3.547 2.126 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.840 -5.162 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.983 -1.812 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.145 -2.166 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.372 -5.597 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.927 -4.300 6.478 1.00 0.00 H new ATOM 156 N ASP A 10 -9.895 -5.057 6.088 1.00 0.00 N ATOM 157 CA ASP A 10 -8.956 -6.142 5.920 1.00 0.00 C ATOM 158 C ASP A 10 -9.653 -7.475 6.030 1.00 0.00 C ATOM 159 O ASP A 10 -10.831 -7.539 6.344 1.00 0.00 O ATOM 160 CB ASP A 10 -7.842 -6.041 6.961 1.00 0.00 C ATOM 161 CG ASP A 10 -6.662 -6.954 6.691 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.372 -7.231 5.512 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.012 -7.383 7.667 1.00 0.00 O ATOM 0 H ASP A 10 -10.336 -5.003 7.006 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.518 -6.066 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.489 -5.010 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.253 -6.276 7.943 1.00 0.00 H new ATOM 168 N GLU A 11 -8.885 -8.480 5.666 1.00 0.00 N ATOM 169 CA GLU A 11 -9.275 -9.908 5.673 1.00 0.00 C ATOM 170 C GLU A 11 -10.424 -10.251 6.649 1.00 0.00 C ATOM 171 O GLU A 11 -11.297 -11.051 6.308 1.00 0.00 O ATOM 172 CB GLU A 11 -8.060 -10.782 5.991 1.00 0.00 C ATOM 173 CG GLU A 11 -7.372 -10.421 7.294 1.00 0.00 C ATOM 174 CD GLU A 11 -6.265 -11.388 7.658 1.00 0.00 C ATOM 175 OE1 GLU A 11 -5.169 -11.307 7.062 1.00 0.00 O ATOM 176 OE2 GLU A 11 -6.483 -12.240 8.542 1.00 0.00 O ATOM 0 H GLU A 11 -7.929 -8.338 5.341 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.652 -10.114 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.375 -11.825 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.341 -10.699 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.959 -9.415 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.110 -10.401 8.096 1.00 0.00 H new ATOM 183 N ASP A 12 -10.437 -9.645 7.837 1.00 0.00 N ATOM 184 CA ASP A 12 -11.489 -9.899 8.825 1.00 0.00 C ATOM 185 C ASP A 12 -12.862 -9.432 8.345 1.00 0.00 C ATOM 186 O ASP A 12 -13.877 -10.071 8.624 1.00 0.00 O ATOM 187 CB ASP A 12 -11.183 -9.191 10.141 1.00 0.00 C ATOM 188 CG ASP A 12 -9.860 -9.601 10.743 1.00 0.00 C ATOM 189 OD1 ASP A 12 -9.759 -10.740 11.244 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.922 -8.777 10.744 1.00 0.00 O ATOM 0 H ASP A 12 -9.731 -8.974 8.140 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.512 -10.979 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.181 -8.114 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.980 -9.402 10.854 1.00 0.00 H new ATOM 195 N GLY A 13 -12.888 -8.308 7.638 1.00 0.00 N ATOM 196 CA GLY A 13 -14.138 -7.735 7.186 1.00 0.00 C ATOM 197 C GLY A 13 -14.504 -6.499 7.975 1.00 0.00 C ATOM 198 O GLY A 13 -15.680 -6.228 8.210 1.00 0.00 O ATOM 0 H GLY A 13 -12.057 -7.781 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.061 -7.482 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.933 -8.475 7.280 1.00 0.00 H new ATOM 202 N ASN A 14 -13.496 -5.720 8.366 1.00 0.00 N ATOM 203 CA ASN A 14 -13.692 -4.635 9.325 1.00 0.00 C ATOM 204 C ASN A 14 -12.903 -3.424 8.868 1.00 0.00 C ATOM 205 O ASN A 14 -12.066 -3.524 7.975 1.00 0.00 O ATOM 206 CB ASN A 14 -13.206 -4.999 10.732 1.00 0.00 C ATOM 207 CG ASN A 14 -13.776 -6.294 11.285 1.00 0.00 C ATOM 208 OD1 ASN A 14 -13.081 -7.046 11.967 1.00 0.00 O ATOM 209 ND2 ASN A 14 -15.046 -6.554 11.032 1.00 0.00 N ATOM 0 H ASN A 14 -12.537 -5.820 8.034 1.00 0.00 H new ATOM 0 HA ASN A 14 -14.763 -4.435 9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.119 -5.073 10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.461 -4.186 11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.478 -7.399 11.406 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.595 -5.910 10.463 1.00 0.00 H new ATOM 216 N GLU A 15 -13.134 -2.308 9.526 1.00 0.00 N ATOM 217 CA GLU A 15 -12.474 -1.055 9.199 1.00 0.00 C ATOM 218 C GLU A 15 -11.142 -0.956 9.926 1.00 0.00 C ATOM 219 O GLU A 15 -10.947 -1.595 10.961 1.00 0.00 O ATOM 220 CB GLU A 15 -13.366 0.125 9.576 1.00 0.00 C ATOM 221 CG GLU A 15 -14.516 0.358 8.610 1.00 0.00 C ATOM 222 CD GLU A 15 -15.651 -0.631 8.769 1.00 0.00 C ATOM 223 OE1 GLU A 15 -16.223 -0.709 9.873 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.994 -1.318 7.782 1.00 0.00 O ATOM 0 H GLU A 15 -13.787 -2.241 10.307 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.290 -1.028 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.771 -0.042 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.757 1.028 9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.902 1.367 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.138 0.304 7.589 1.00 0.00 H new ATOM 231 N HIS A 16 -10.225 -0.159 9.392 1.00 0.00 N ATOM 232 CA HIS A 16 -8.876 -0.074 9.943 1.00 0.00 C ATOM 233 C HIS A 16 -8.336 1.343 9.886 1.00 0.00 C ATOM 234 O HIS A 16 -9.102 2.289 9.714 1.00 0.00 O ATOM 235 CB HIS A 16 -7.927 -1.023 9.209 1.00 0.00 C ATOM 236 CG HIS A 16 -7.988 -2.427 9.710 1.00 0.00 C ATOM 237 ND1 HIS A 16 -7.099 -2.932 10.627 1.00 0.00 N ATOM 238 CD2 HIS A 16 -8.847 -3.430 9.429 1.00 0.00 C ATOM 239 CE1 HIS A 16 -7.409 -4.183 10.893 1.00 0.00 C ATOM 240 NE2 HIS A 16 -8.470 -4.515 10.180 1.00 0.00 N ATOM 0 H HIS A 16 -10.389 0.437 8.580 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.937 -0.372 10.990 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.167 -1.014 8.146 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.906 -0.653 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.678 -3.386 8.740 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.884 -4.830 11.580 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.931 -5.425 10.186 1.00 0.00 H new ATOM 249 N GLY A 17 -7.015 1.461 10.067 1.00 0.00 N ATOM 250 CA GLY A 17 -6.330 2.744 10.009 1.00 0.00 C ATOM 251 C GLY A 17 -6.857 3.659 8.934 1.00 0.00 C ATOM 252 O GLY A 17 -6.972 3.260 7.773 1.00 0.00 O ATOM 0 H GLY A 17 -6.400 0.670 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.423 3.240 10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.267 2.572 9.840 1.00 0.00 H new ATOM 256 N VAL A 18 -7.192 4.883 9.311 1.00 0.00 N ATOM 257 CA VAL A 18 -7.614 5.846 8.320 1.00 0.00 C ATOM 258 C VAL A 18 -6.373 6.428 7.664 1.00 0.00 C ATOM 259 O VAL A 18 -5.638 7.229 8.242 1.00 0.00 O ATOM 260 CB VAL A 18 -8.513 6.961 8.922 1.00 0.00 C ATOM 261 CG1 VAL A 18 -7.847 7.648 10.111 1.00 0.00 C ATOM 262 CG2 VAL A 18 -8.898 7.977 7.853 1.00 0.00 C ATOM 0 H VAL A 18 -7.179 5.223 10.273 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.230 5.342 7.575 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.422 6.485 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.509 8.421 10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.647 6.913 10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.909 8.102 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.527 8.749 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.997 8.434 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.445 7.476 7.055 1.00 0.00 H new ATOM 272 N PHE A 19 -6.140 5.970 6.462 1.00 0.00 N ATOM 273 CA PHE A 19 -4.962 6.368 5.734 1.00 0.00 C ATOM 274 C PHE A 19 -5.179 7.622 4.927 1.00 0.00 C ATOM 275 O PHE A 19 -5.951 7.664 3.975 1.00 0.00 O ATOM 276 CB PHE A 19 -4.478 5.240 4.847 1.00 0.00 C ATOM 277 CG PHE A 19 -4.256 3.962 5.599 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.347 3.907 6.639 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.962 2.823 5.272 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.144 2.734 7.338 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.763 1.649 5.965 1.00 0.00 C ATOM 282 CZ PHE A 19 -3.851 1.601 7.001 1.00 0.00 C ATOM 0 H PHE A 19 -6.750 5.321 5.965 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.193 6.594 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.207 5.068 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.547 5.538 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.789 4.792 6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.678 2.852 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.431 2.705 8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.321 0.764 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.693 0.681 7.544 1.00 0.00 H new ATOM 292 N THR A 20 -4.486 8.642 5.353 1.00 0.00 N ATOM 293 CA THR A 20 -4.344 9.845 4.576 1.00 0.00 C ATOM 294 C THR A 20 -3.146 9.678 3.676 1.00 0.00 C ATOM 295 O THR A 20 -2.105 9.181 4.113 1.00 0.00 O ATOM 296 CB THR A 20 -4.167 11.091 5.460 1.00 0.00 C ATOM 297 OG1 THR A 20 -3.236 10.826 6.521 1.00 0.00 O ATOM 298 CG2 THR A 20 -5.498 11.521 6.040 1.00 0.00 C ATOM 0 H THR A 20 -4.002 8.664 6.251 1.00 0.00 H new ATOM 0 HA THR A 20 -5.254 9.998 3.995 1.00 0.00 H new ATOM 0 HB THR A 20 -3.775 11.897 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.133 11.629 7.074 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.355 12.404 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.189 11.756 5.230 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.909 10.713 6.645 1.00 0.00 H new ATOM 306 N GLY A 21 -3.279 10.069 2.428 1.00 0.00 N ATOM 307 CA GLY A 21 -2.216 9.862 1.472 1.00 0.00 C ATOM 308 C GLY A 21 -2.502 10.639 0.207 1.00 0.00 C ATOM 309 O GLY A 21 -3.655 10.706 -0.224 1.00 0.00 O ATOM 0 H GLY A 21 -4.108 10.530 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.265 10.181 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.122 8.800 1.244 1.00 0.00 H new ATOM 313 N LYS A 22 -1.478 11.233 -0.391 1.00 0.00 N ATOM 314 CA LYS A 22 -1.685 12.074 -1.565 1.00 0.00 C ATOM 315 C LYS A 22 -1.917 11.227 -2.816 1.00 0.00 C ATOM 316 O LYS A 22 -2.141 11.748 -3.906 1.00 0.00 O ATOM 317 CB LYS A 22 -0.515 13.040 -1.764 1.00 0.00 C ATOM 318 CG LYS A 22 -0.390 14.067 -0.651 1.00 0.00 C ATOM 319 CD LYS A 22 0.295 15.334 -1.129 1.00 0.00 C ATOM 320 CE LYS A 22 1.793 15.146 -1.310 1.00 0.00 C ATOM 321 NZ LYS A 22 2.506 15.037 -0.007 1.00 0.00 N ATOM 0 H LYS A 22 -0.507 11.151 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.583 12.668 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.412 12.470 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.638 13.558 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.381 14.311 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.174 13.639 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.146 15.649 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.115 16.135 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.976 14.248 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.198 15.986 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.533 15.063 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.232 15.831 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.252 14.140 0.454 1.00 0.00 H new ATOM 335 N GLN A 23 -1.867 9.918 -2.640 1.00 0.00 N ATOM 336 CA GLN A 23 -2.187 8.973 -3.695 1.00 0.00 C ATOM 337 C GLN A 23 -2.619 7.663 -3.055 1.00 0.00 C ATOM 338 O GLN A 23 -2.151 7.346 -1.969 1.00 0.00 O ATOM 339 CB GLN A 23 -0.980 8.770 -4.620 1.00 0.00 C ATOM 340 CG GLN A 23 -1.114 7.608 -5.589 1.00 0.00 C ATOM 341 CD GLN A 23 0.034 7.529 -6.571 1.00 0.00 C ATOM 342 OE1 GLN A 23 1.073 6.803 -6.199 1.00 0.00 O flip ATOM 343 NE2 GLN A 23 -0.013 8.115 -7.650 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.602 9.479 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.001 9.359 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.818 9.685 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.092 8.615 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.170 6.676 -5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.050 7.705 -6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.836 8.665 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.771 8.052 -8.299 1.00 0.00 H new ATOM 352 N PRO A 24 -3.551 6.915 -3.668 1.00 0.00 N ATOM 353 CA PRO A 24 -4.025 5.639 -3.117 1.00 0.00 C ATOM 354 C PRO A 24 -2.878 4.738 -2.668 1.00 0.00 C ATOM 355 O PRO A 24 -2.858 4.290 -1.524 1.00 0.00 O ATOM 356 CB PRO A 24 -4.793 5.023 -4.281 1.00 0.00 C ATOM 357 CG PRO A 24 -5.304 6.199 -5.032 1.00 0.00 C ATOM 358 CD PRO A 24 -4.224 7.246 -4.936 1.00 0.00 C ATOM 0 HA PRO A 24 -4.631 5.772 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.147 4.402 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.607 4.387 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.508 5.941 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.239 6.561 -4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.538 7.196 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.639 8.254 -4.921 1.00 0.00 H new ATOM 366 N ARG A 25 -1.942 4.461 -3.581 1.00 0.00 N ATOM 367 CA ARG A 25 -0.713 3.734 -3.261 1.00 0.00 C ATOM 368 C ARG A 25 -0.043 4.225 -1.979 1.00 0.00 C ATOM 369 O ARG A 25 0.650 3.464 -1.324 1.00 0.00 O ATOM 370 CB ARG A 25 0.301 3.839 -4.405 1.00 0.00 C ATOM 371 CG ARG A 25 1.502 2.915 -4.230 1.00 0.00 C ATOM 372 CD ARG A 25 2.626 3.245 -5.199 1.00 0.00 C ATOM 373 NE ARG A 25 3.303 4.495 -4.851 1.00 0.00 N ATOM 374 CZ ARG A 25 4.561 4.785 -5.193 1.00 0.00 C ATOM 375 NH1 ARG A 25 5.321 3.876 -5.791 1.00 0.00 N ATOM 376 NH2 ARG A 25 5.063 5.975 -4.892 1.00 0.00 N ATOM 0 H ARG A 25 -2.016 4.735 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.017 2.698 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.197 3.603 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.651 4.869 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.872 2.992 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.188 1.882 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.350 2.430 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.223 3.320 -6.209 1.00 0.00 H new ATOM 0 HE ARG A 25 2.782 5.188 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.945 2.949 -5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.281 4.104 -6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.489 6.662 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.023 6.204 -5.150 1.00 0.00 H new ATOM 390 N GLN A 26 -0.228 5.491 -1.632 1.00 0.00 N ATOM 391 CA GLN A 26 0.422 6.044 -0.451 1.00 0.00 C ATOM 392 C GLN A 26 -0.357 5.705 0.812 1.00 0.00 C ATOM 393 O GLN A 26 0.215 5.615 1.894 1.00 0.00 O ATOM 394 CB GLN A 26 0.611 7.556 -0.579 1.00 0.00 C ATOM 395 CG GLN A 26 1.367 7.950 -1.837 1.00 0.00 C ATOM 396 CD GLN A 26 2.629 7.131 -2.042 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.025 6.862 -3.177 1.00 0.00 O ATOM 398 NE2 GLN A 26 3.271 6.732 -0.950 1.00 0.00 N ATOM 0 H GLN A 26 -0.816 6.149 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 26 1.409 5.587 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.365 8.041 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.149 7.926 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.715 7.827 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.629 9.007 -1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.909 6.976 -0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.126 6.181 -1.033 1.00 0.00 H new ATOM 407 N ALA A 27 -1.655 5.491 0.661 1.00 0.00 N ATOM 408 CA ALA A 27 -2.491 5.022 1.753 1.00 0.00 C ATOM 409 C ALA A 27 -2.296 3.522 1.877 1.00 0.00 C ATOM 410 O ALA A 27 -2.204 2.975 2.975 1.00 0.00 O ATOM 411 CB ALA A 27 -3.950 5.384 1.488 1.00 0.00 C ATOM 0 H ALA A 27 -2.155 5.637 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.210 5.499 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.569 5.028 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.047 6.466 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.278 4.916 0.560 1.00 0.00 H new ATOM 417 N ALA A 28 -2.228 2.865 0.723 1.00 0.00 N ATOM 418 CA ALA A 28 -1.830 1.471 0.646 1.00 0.00 C ATOM 419 C ALA A 28 -0.442 1.285 1.231 1.00 0.00 C ATOM 420 O ALA A 28 -0.162 0.276 1.865 1.00 0.00 O ATOM 421 CB ALA A 28 -1.867 0.994 -0.803 1.00 0.00 C ATOM 0 H ALA A 28 -2.447 3.286 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.532 0.873 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.567 -0.053 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.879 1.099 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.182 1.595 -1.401 1.00 0.00 H new ATOM 427 N LEU A 29 0.418 2.269 1.014 1.00 0.00 N ATOM 428 CA LEU A 29 1.762 2.250 1.558 1.00 0.00 C ATOM 429 C LEU A 29 1.699 2.349 3.069 1.00 0.00 C ATOM 430 O LEU A 29 2.300 1.550 3.786 1.00 0.00 O ATOM 431 CB LEU A 29 2.578 3.419 1.005 1.00 0.00 C ATOM 432 CG LEU A 29 4.065 3.367 1.306 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.840 3.638 0.029 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.424 4.377 2.387 1.00 0.00 C ATOM 0 H LEU A 29 0.203 3.097 0.459 1.00 0.00 H new ATOM 0 HA LEU A 29 2.244 1.316 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.443 3.456 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.174 4.347 1.409 1.00 0.00 H new ATOM 0 HG LEU A 29 4.329 2.377 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.909 3.602 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.590 2.882 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.578 4.624 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.494 4.327 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.166 5.380 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.870 4.148 3.297 1.00 0.00 H new ATOM 446 N LYS A 30 0.993 3.368 3.534 1.00 0.00 N ATOM 447 CA LYS A 30 0.712 3.534 4.952 1.00 0.00 C ATOM 448 C LYS A 30 0.147 2.274 5.596 1.00 0.00 C ATOM 449 O LYS A 30 0.184 2.145 6.816 1.00 0.00 O ATOM 450 CB LYS A 30 -0.241 4.704 5.191 1.00 0.00 C ATOM 451 CG LYS A 30 0.414 6.068 5.043 1.00 0.00 C ATOM 452 CD LYS A 30 1.640 6.199 5.939 1.00 0.00 C ATOM 453 CE LYS A 30 1.315 5.918 7.401 1.00 0.00 C ATOM 454 NZ LYS A 30 0.404 6.937 7.982 1.00 0.00 N ATOM 0 H LYS A 30 0.600 4.100 2.942 1.00 0.00 H new ATOM 0 HA LYS A 30 1.671 3.744 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.072 4.632 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.661 4.620 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.703 6.223 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.306 6.847 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.411 5.507 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.050 7.205 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.856 4.933 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.240 5.890 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.212 6.704 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.851 7.874 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.490 6.947 7.450 1.00 0.00 H new ATOM 468 N ALA A 31 -0.390 1.347 4.810 1.00 0.00 N ATOM 469 CA ALA A 31 -0.784 0.058 5.344 1.00 0.00 C ATOM 470 C ALA A 31 0.339 -0.956 5.126 1.00 0.00 C ATOM 471 O ALA A 31 0.664 -1.743 6.009 1.00 0.00 O ATOM 472 CB ALA A 31 -2.065 -0.425 4.678 1.00 0.00 C ATOM 0 H ALA A 31 -0.559 1.466 3.811 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.970 0.161 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.347 -1.394 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.864 0.294 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.903 -0.521 3.604 1.00 0.00 H new ATOM 478 N ALA A 32 0.951 -0.894 3.946 1.00 0.00 N ATOM 479 CA ALA A 32 2.018 -1.809 3.547 1.00 0.00 C ATOM 480 C ALA A 32 3.216 -1.741 4.483 1.00 0.00 C ATOM 481 O ALA A 32 4.037 -2.660 4.518 1.00 0.00 O ATOM 482 CB ALA A 32 2.467 -1.490 2.130 1.00 0.00 C ATOM 0 H ALA A 32 0.719 -0.202 3.234 1.00 0.00 H new ATOM 0 HA ALA A 32 1.614 -2.820 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.263 -2.175 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.624 -1.600 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.837 -0.465 2.087 1.00 0.00 H new ATOM 488 N ASN A 33 3.330 -0.650 5.226 1.00 0.00 N ATOM 489 CA ASN A 33 4.434 -0.485 6.159 1.00 0.00 C ATOM 490 C ASN A 33 4.481 -1.637 7.160 1.00 0.00 C ATOM 491 O ASN A 33 5.559 -2.132 7.481 1.00 0.00 O ATOM 492 CB ASN A 33 4.381 0.882 6.877 1.00 0.00 C ATOM 493 CG ASN A 33 3.353 0.981 8.002 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.148 0.472 7.785 1.00 0.00 O flip ATOM 495 ND2 ASN A 33 3.633 1.560 9.049 1.00 0.00 N flip ATOM 0 H ASN A 33 2.674 0.131 5.201 1.00 0.00 H new ATOM 0 HA ASN A 33 5.357 -0.505 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.368 1.099 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.165 1.655 6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.569 1.941 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.929 1.660 9.781 1.00 0.00 H new ATOM 502 N ARG A 34 3.325 -2.078 7.636 1.00 0.00 N ATOM 503 CA ARG A 34 3.238 -3.259 8.492 1.00 0.00 C ATOM 504 C ARG A 34 3.180 -4.539 7.654 1.00 0.00 C ATOM 505 O ARG A 34 3.552 -5.616 8.119 1.00 0.00 O ATOM 506 CB ARG A 34 1.991 -3.147 9.386 1.00 0.00 C ATOM 507 CG ARG A 34 0.692 -3.040 8.596 1.00 0.00 C ATOM 508 CD ARG A 34 -0.389 -2.279 9.352 1.00 0.00 C ATOM 509 NE ARG A 34 -0.905 -3.029 10.493 1.00 0.00 N ATOM 510 CZ ARG A 34 -1.140 -2.490 11.688 1.00 0.00 C ATOM 511 NH1 ARG A 34 -0.870 -1.209 11.903 1.00 0.00 N ATOM 512 NH2 ARG A 34 -1.643 -3.233 12.665 1.00 0.00 N ATOM 0 H ARG A 34 2.427 -1.634 7.444 1.00 0.00 H new ATOM 0 HA ARG A 34 4.130 -3.310 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.941 -4.018 10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.090 -2.272 10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.888 -2.540 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.330 -4.041 8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.015 -1.328 9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.209 -2.048 8.672 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.097 -4.023 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.482 -0.637 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.050 -0.796 12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.850 -4.218 12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.823 -2.819 13.580 1.00 0.00 H new ATOM 526 N GLY A 35 2.735 -4.404 6.410 1.00 0.00 N ATOM 527 CA GLY A 35 2.588 -5.551 5.533 1.00 0.00 C ATOM 528 C GLY A 35 3.903 -5.977 4.920 1.00 0.00 C ATOM 529 O GLY A 35 4.139 -5.780 3.729 1.00 0.00 O ATOM 0 H GLY A 35 2.471 -3.513 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.165 -6.384 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.881 -5.310 4.739 1.00 0.00 H new ATOM 533 N SER A 36 4.773 -6.537 5.743 1.00 0.00 N ATOM 534 CA SER A 36 6.082 -6.989 5.298 1.00 0.00 C ATOM 535 C SER A 36 6.007 -8.310 4.530 1.00 0.00 C ATOM 536 O SER A 36 6.594 -9.315 4.934 1.00 0.00 O ATOM 537 CB SER A 36 7.008 -7.117 6.500 1.00 0.00 C ATOM 538 OG SER A 36 7.076 -5.886 7.204 1.00 0.00 O ATOM 0 H SER A 36 4.594 -6.691 6.735 1.00 0.00 H new ATOM 0 HA SER A 36 6.479 -6.246 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.647 -7.903 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.005 -7.410 6.170 1.00 0.00 H new ATOM 0 HG SER A 36 7.673 -5.983 7.975 1.00 0.00 H new ATOM 544 N GLY A 37 5.273 -8.298 3.427 1.00 0.00 N ATOM 545 CA GLY A 37 5.268 -9.427 2.525 1.00 0.00 C ATOM 546 C GLY A 37 6.394 -9.320 1.519 1.00 0.00 C ATOM 547 O GLY A 37 7.309 -8.517 1.698 1.00 0.00 O ATOM 0 H GLY A 37 4.678 -7.521 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.369 -10.352 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.312 -9.476 2.003 1.00 0.00 H new ATOM 551 N THR A 38 6.336 -10.098 0.454 1.00 0.00 N ATOM 552 CA THR A 38 7.380 -10.042 -0.563 1.00 0.00 C ATOM 553 C THR A 38 6.751 -9.951 -1.937 1.00 0.00 C ATOM 554 O THR A 38 5.558 -10.182 -2.085 1.00 0.00 O ATOM 555 CB THR A 38 8.328 -11.257 -0.524 1.00 0.00 C ATOM 556 OG1 THR A 38 7.642 -12.438 -0.940 1.00 0.00 O ATOM 557 CG2 THR A 38 8.906 -11.472 0.866 1.00 0.00 C ATOM 0 H THR A 38 5.590 -10.768 0.268 1.00 0.00 H new ATOM 0 HA THR A 38 7.977 -9.156 -0.349 1.00 0.00 H new ATOM 0 HB THR A 38 9.149 -11.050 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.257 -13.201 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.569 -12.337 0.854 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.468 -10.588 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.096 -11.646 1.574 1.00 0.00 H new ATOM 565 N LYS A 39 7.549 -9.624 -2.940 1.00 0.00 N ATOM 566 CA LYS A 39 7.028 -9.403 -4.283 1.00 0.00 C ATOM 567 C LYS A 39 6.474 -10.698 -4.893 1.00 0.00 C ATOM 568 O LYS A 39 5.748 -10.672 -5.889 1.00 0.00 O ATOM 569 CB LYS A 39 8.130 -8.814 -5.165 1.00 0.00 C ATOM 570 CG LYS A 39 7.626 -8.178 -6.443 1.00 0.00 C ATOM 571 CD LYS A 39 8.775 -7.646 -7.282 1.00 0.00 C ATOM 572 CE LYS A 39 8.291 -7.065 -8.598 1.00 0.00 C ATOM 573 NZ LYS A 39 7.626 -8.087 -9.448 1.00 0.00 N ATOM 0 H LYS A 39 8.558 -9.505 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 39 6.199 -8.698 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.679 -8.067 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.838 -9.603 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.061 -8.911 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.941 -7.365 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.310 -6.879 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.484 -8.450 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.595 -6.250 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.136 -6.638 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.540 -7.727 -10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.193 -8.959 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.679 -8.291 -9.069 1.00 0.00 H new ATOM 587 N ALA A 40 6.806 -11.826 -4.276 1.00 0.00 N ATOM 588 CA ALA A 40 6.341 -13.129 -4.741 1.00 0.00 C ATOM 589 C ALA A 40 5.069 -13.553 -4.020 1.00 0.00 C ATOM 590 O ALA A 40 4.340 -14.428 -4.483 1.00 0.00 O ATOM 591 CB ALA A 40 7.422 -14.167 -4.527 1.00 0.00 C ATOM 0 H ALA A 40 7.399 -11.865 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 40 6.116 -13.048 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.069 -15.137 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.314 -13.883 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.662 -14.229 -3.466 1.00 0.00 H new ATOM 597 N ASN A 41 4.812 -12.926 -2.886 1.00 0.00 N ATOM 598 CA ASN A 41 3.648 -13.235 -2.067 1.00 0.00 C ATOM 599 C ASN A 41 3.224 -12.000 -1.280 1.00 0.00 C ATOM 600 O ASN A 41 3.280 -11.980 -0.049 1.00 0.00 O ATOM 601 CB ASN A 41 3.933 -14.410 -1.117 1.00 0.00 C ATOM 602 CG ASN A 41 5.310 -14.351 -0.477 1.00 0.00 C ATOM 603 OD1 ASN A 41 6.264 -14.953 -0.975 1.00 0.00 O ATOM 604 ND2 ASN A 41 5.433 -13.615 0.619 1.00 0.00 N ATOM 0 H ASN A 41 5.403 -12.187 -2.505 1.00 0.00 H new ATOM 0 HA ASN A 41 2.833 -13.533 -2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.177 -14.424 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.837 -15.345 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.340 -13.533 1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.621 -13.131 1.002 1.00 0.00 H new ATOM 611 N PRO A 42 2.813 -10.942 -1.991 1.00 0.00 N ATOM 612 CA PRO A 42 2.463 -9.663 -1.374 1.00 0.00 C ATOM 613 C PRO A 42 1.194 -9.744 -0.539 1.00 0.00 C ATOM 614 O PRO A 42 0.300 -10.546 -0.813 1.00 0.00 O ATOM 615 CB PRO A 42 2.254 -8.719 -2.564 1.00 0.00 C ATOM 616 CG PRO A 42 2.781 -9.440 -3.760 1.00 0.00 C ATOM 617 CD PRO A 42 2.662 -10.902 -3.452 1.00 0.00 C ATOM 0 HA PRO A 42 3.240 -9.332 -0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.199 -8.476 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.782 -7.777 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.211 -9.182 -4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.818 -9.166 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.701 -11.305 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.434 -11.485 -3.954 1.00 0.00 H new ATOM 625 N ASP A 43 1.121 -8.885 0.464 1.00 0.00 N ATOM 626 CA ASP A 43 -0.011 -8.849 1.373 1.00 0.00 C ATOM 627 C ASP A 43 -1.183 -8.149 0.705 1.00 0.00 C ATOM 628 O ASP A 43 -1.066 -7.007 0.257 1.00 0.00 O ATOM 629 CB ASP A 43 0.367 -8.123 2.669 1.00 0.00 C ATOM 630 CG ASP A 43 -0.619 -8.380 3.794 1.00 0.00 C ATOM 631 OD1 ASP A 43 -0.441 -9.385 4.515 1.00 0.00 O ATOM 632 OD2 ASP A 43 -1.558 -7.581 3.979 1.00 0.00 O ATOM 0 H ASP A 43 1.843 -8.195 0.670 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.298 -9.871 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.361 -8.442 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.422 -7.051 2.477 1.00 0.00 H new ATOM 637 N ILE A 44 -2.295 -8.851 0.607 1.00 0.00 N ATOM 638 CA ILE A 44 -3.489 -8.302 0.000 1.00 0.00 C ATOM 639 C ILE A 44 -4.114 -7.245 0.887 1.00 0.00 C ATOM 640 O ILE A 44 -4.656 -7.540 1.954 1.00 0.00 O ATOM 641 CB ILE A 44 -4.526 -9.404 -0.324 1.00 0.00 C ATOM 642 CG1 ILE A 44 -4.051 -10.210 -1.527 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.902 -8.806 -0.600 1.00 0.00 C ATOM 644 CD1 ILE A 44 -3.880 -9.356 -2.760 1.00 0.00 C ATOM 0 H ILE A 44 -2.395 -9.809 0.943 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.185 -7.838 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.617 -10.059 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.103 -10.691 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.768 -11.004 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.608 -9.606 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.243 -8.257 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.840 -8.128 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.540 -9.977 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.833 -8.896 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.143 -8.578 -2.564 1.00 0.00 H new ATOM 656 N ILE A 45 -4.017 -6.007 0.442 1.00 0.00 N ATOM 657 CA ILE A 45 -4.681 -4.919 1.123 1.00 0.00 C ATOM 658 C ILE A 45 -5.764 -4.353 0.234 1.00 0.00 C ATOM 659 O ILE A 45 -5.594 -4.212 -0.981 1.00 0.00 O ATOM 660 CB ILE A 45 -3.714 -3.802 1.607 1.00 0.00 C ATOM 661 CG1 ILE A 45 -2.983 -3.116 0.453 1.00 0.00 C ATOM 662 CG2 ILE A 45 -2.718 -4.365 2.601 1.00 0.00 C ATOM 663 CD1 ILE A 45 -3.747 -1.944 -0.119 1.00 0.00 C ATOM 0 H ILE A 45 -3.486 -5.733 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.123 -5.331 2.030 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.323 -3.041 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.009 -2.772 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.800 -3.844 -0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.047 -3.573 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.252 -4.771 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.138 -5.157 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.176 -1.500 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.711 -2.287 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.907 -1.199 0.660 1.00 0.00 H new ATOM 675 N ARG A 46 -6.897 -4.087 0.834 1.00 0.00 N ATOM 676 CA ARG A 46 -8.026 -3.541 0.113 1.00 0.00 C ATOM 677 C ARG A 46 -8.484 -2.250 0.766 1.00 0.00 C ATOM 678 O ARG A 46 -9.103 -2.263 1.833 1.00 0.00 O ATOM 679 CB ARG A 46 -9.160 -4.567 0.058 1.00 0.00 C ATOM 680 CG ARG A 46 -8.816 -5.785 -0.786 1.00 0.00 C ATOM 681 CD ARG A 46 -9.911 -6.838 -0.759 1.00 0.00 C ATOM 682 NE ARG A 46 -11.174 -6.354 -1.316 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.864 -6.994 -2.264 1.00 0.00 C ATOM 684 NH1 ARG A 46 -11.356 -8.068 -2.862 1.00 0.00 N ATOM 685 NH2 ARG A 46 -13.060 -6.554 -2.615 1.00 0.00 N ATOM 0 H ARG A 46 -7.065 -4.240 1.828 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.725 -3.315 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.401 -4.889 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.054 -4.092 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.642 -5.472 -1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.886 -6.223 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.582 -7.712 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.073 -7.162 0.269 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.550 -5.476 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.432 -8.410 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.891 -8.550 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.453 -5.729 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.590 -7.040 -3.338 1.00 0.00 H new ATOM 699 N LEU A 47 -8.163 -1.131 0.135 1.00 0.00 N ATOM 700 CA LEU A 47 -8.505 0.168 0.677 1.00 0.00 C ATOM 701 C LEU A 47 -9.876 0.587 0.208 1.00 0.00 C ATOM 702 O LEU A 47 -10.180 0.526 -0.984 1.00 0.00 O ATOM 703 CB LEU A 47 -7.497 1.223 0.227 1.00 0.00 C ATOM 704 CG LEU A 47 -6.099 1.104 0.816 1.00 0.00 C ATOM 705 CD1 LEU A 47 -5.158 2.047 0.095 1.00 0.00 C ATOM 706 CD2 LEU A 47 -6.121 1.421 2.301 1.00 0.00 C ATOM 0 H LEU A 47 -7.665 -1.100 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.491 0.088 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.417 1.180 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.893 2.207 0.479 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.748 0.080 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.158 1.959 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.126 1.790 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.512 3.072 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.113 1.331 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.483 2.438 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.782 0.721 2.813 1.00 0.00 H new ATOM 718 N ARG A 48 -10.701 1.015 1.130 1.00 0.00 N ATOM 719 CA ARG A 48 -11.985 1.543 0.769 1.00 0.00 C ATOM 720 C ARG A 48 -11.846 3.014 0.402 1.00 0.00 C ATOM 721 O ARG A 48 -10.947 3.711 0.872 1.00 0.00 O ATOM 722 CB ARG A 48 -12.997 1.302 1.895 1.00 0.00 C ATOM 723 CG ARG A 48 -14.171 2.265 1.930 1.00 0.00 C ATOM 724 CD ARG A 48 -15.442 1.561 2.362 1.00 0.00 C ATOM 725 NE ARG A 48 -16.477 2.501 2.798 1.00 0.00 N ATOM 726 CZ ARG A 48 -17.318 3.128 1.972 1.00 0.00 C ATOM 727 NH1 ARG A 48 -17.192 2.984 0.664 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.274 3.906 2.453 1.00 0.00 N ATOM 0 H ARG A 48 -10.505 1.007 2.131 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.369 1.024 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.384 0.287 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.474 1.358 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.954 3.083 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.313 2.706 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.823 0.963 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.215 0.872 3.175 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.561 2.689 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.452 2.393 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.835 3.463 0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.372 4.030 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.913 4.382 1.816 1.00 0.00 H new ATOM 742 N GLU A 49 -12.764 3.468 -0.413 1.00 0.00 N ATOM 743 CA GLU A 49 -12.701 4.815 -0.933 1.00 0.00 C ATOM 744 C GLU A 49 -13.895 5.571 -0.446 1.00 0.00 C ATOM 745 O GLU A 49 -14.889 5.707 -1.150 1.00 0.00 O ATOM 746 CB GLU A 49 -12.633 4.815 -2.444 1.00 0.00 C ATOM 747 CG GLU A 49 -12.331 6.171 -3.050 1.00 0.00 C ATOM 748 CD GLU A 49 -12.086 6.072 -4.535 1.00 0.00 C ATOM 749 OE1 GLU A 49 -12.978 5.597 -5.257 1.00 0.00 O ATOM 750 OE2 GLU A 49 -10.974 6.421 -4.982 1.00 0.00 O ATOM 0 H GLU A 49 -13.566 2.925 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.793 5.301 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.867 4.108 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.583 4.456 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.164 6.848 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.455 6.601 -2.564 1.00 0.00 H new ATOM 757 N ARG A 50 -13.800 5.956 0.810 1.00 0.00 N ATOM 758 CA ARG A 50 -14.824 6.754 1.483 1.00 0.00 C ATOM 759 C ARG A 50 -15.555 7.680 0.517 1.00 0.00 C ATOM 760 O ARG A 50 -14.951 8.550 -0.116 1.00 0.00 O ATOM 761 CB ARG A 50 -14.223 7.582 2.617 1.00 0.00 C ATOM 762 CG ARG A 50 -12.879 7.093 3.127 1.00 0.00 C ATOM 763 CD ARG A 50 -12.371 7.990 4.239 1.00 0.00 C ATOM 764 NE ARG A 50 -13.218 7.913 5.418 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.339 8.885 6.320 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.813 10.082 6.087 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.027 8.674 7.434 1.00 0.00 N ATOM 0 H ARG A 50 -13.004 5.725 1.405 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.544 6.047 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.112 8.611 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.927 7.596 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.973 6.070 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.158 7.075 2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.353 7.703 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.330 9.020 3.886 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.755 7.058 5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.314 10.259 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.908 10.824 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.463 7.767 7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.120 9.419 8.125 1.00 0.00 H new ATOM 781 N GLY A 51 -16.856 7.475 0.414 1.00 0.00 N ATOM 782 CA GLY A 51 -17.663 8.218 -0.536 1.00 0.00 C ATOM 783 C GLY A 51 -18.121 7.375 -1.721 1.00 0.00 C ATOM 784 O GLY A 51 -19.140 7.679 -2.345 1.00 0.00 O ATOM 0 H GLY A 51 -17.375 6.801 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.537 8.620 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.089 9.069 -0.903 1.00 0.00 H new ATOM 788 N THR A 52 -17.390 6.310 -2.026 1.00 0.00 N ATOM 789 CA THR A 52 -17.695 5.480 -3.189 1.00 0.00 C ATOM 790 C THR A 52 -18.128 4.087 -2.743 1.00 0.00 C ATOM 791 O THR A 52 -18.337 3.842 -1.554 1.00 0.00 O ATOM 792 CB THR A 52 -16.465 5.333 -4.116 1.00 0.00 C ATOM 793 OG1 THR A 52 -15.540 4.388 -3.569 1.00 0.00 O ATOM 794 CG2 THR A 52 -15.751 6.662 -4.306 1.00 0.00 C ATOM 0 H THR A 52 -16.582 5.999 -1.486 1.00 0.00 H new ATOM 0 HA THR A 52 -18.500 5.972 -3.736 1.00 0.00 H new ATOM 0 HB THR A 52 -16.827 4.984 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.324 4.638 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.892 6.523 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.436 7.383 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.412 7.035 -3.339 1.00 0.00 H new ATOM 802 N LYS A 53 -18.281 3.183 -3.700 1.00 0.00 N ATOM 803 CA LYS A 53 -18.490 1.779 -3.398 1.00 0.00 C ATOM 804 C LYS A 53 -17.414 0.947 -4.078 1.00 0.00 C ATOM 805 O LYS A 53 -17.620 -0.220 -4.403 1.00 0.00 O ATOM 806 CB LYS A 53 -19.890 1.309 -3.817 1.00 0.00 C ATOM 807 CG LYS A 53 -20.238 1.556 -5.273 1.00 0.00 C ATOM 808 CD LYS A 53 -21.504 0.809 -5.664 1.00 0.00 C ATOM 809 CE LYS A 53 -21.989 1.203 -7.049 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.589 2.564 -7.063 1.00 0.00 N ATOM 0 H LYS A 53 -18.264 3.401 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.420 1.646 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.975 0.241 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.628 1.811 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -20.375 2.624 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -19.412 1.236 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.315 -0.264 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.287 1.014 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -21.154 1.168 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -22.726 0.478 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -23.042 2.734 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.300 2.638 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.844 3.273 -6.907 1.00 0.00 H new ATOM 824 N LYS A 54 -16.259 1.566 -4.296 1.00 0.00 N ATOM 825 CA LYS A 54 -15.139 0.888 -4.923 1.00 0.00 C ATOM 826 C LYS A 54 -14.008 0.645 -3.929 1.00 0.00 C ATOM 827 O LYS A 54 -13.677 1.506 -3.110 1.00 0.00 O ATOM 828 CB LYS A 54 -14.637 1.701 -6.117 1.00 0.00 C ATOM 829 CG LYS A 54 -15.679 1.841 -7.214 1.00 0.00 C ATOM 830 CD LYS A 54 -15.167 2.605 -8.429 1.00 0.00 C ATOM 831 CE LYS A 54 -15.036 4.102 -8.174 1.00 0.00 C ATOM 832 NZ LYS A 54 -13.764 4.454 -7.493 1.00 0.00 N ATOM 0 H LYS A 54 -16.077 2.538 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.485 -0.084 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.339 2.693 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.747 1.224 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.005 0.849 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.554 2.352 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.196 2.205 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.845 2.442 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.096 4.635 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.875 4.438 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.973 4.929 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.217 3.589 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.210 5.091 -8.100 1.00 0.00 H new ATOM 846 N VAL A 55 -13.431 -0.541 -4.012 1.00 0.00 N ATOM 847 CA VAL A 55 -12.326 -0.942 -3.158 1.00 0.00 C ATOM 848 C VAL A 55 -11.033 -1.033 -3.965 1.00 0.00 C ATOM 849 O VAL A 55 -10.984 -1.692 -5.002 1.00 0.00 O ATOM 850 CB VAL A 55 -12.623 -2.293 -2.479 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.363 -2.877 -1.861 1.00 0.00 C ATOM 852 CG2 VAL A 55 -13.694 -2.110 -1.416 1.00 0.00 C ATOM 0 H VAL A 55 -13.718 -1.258 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.204 -0.185 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.984 -2.990 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.598 -3.830 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.615 -3.032 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.971 -2.188 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.900 -3.068 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.345 -1.399 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.605 -1.731 -1.879 1.00 0.00 H new ATOM 862 N HIS A 56 -9.988 -0.361 -3.496 1.00 0.00 N ATOM 863 CA HIS A 56 -8.720 -0.348 -4.202 1.00 0.00 C ATOM 864 C HIS A 56 -7.848 -1.516 -3.767 1.00 0.00 C ATOM 865 O HIS A 56 -7.379 -1.561 -2.630 1.00 0.00 O ATOM 866 CB HIS A 56 -7.955 0.967 -3.974 1.00 0.00 C ATOM 867 CG HIS A 56 -8.616 2.214 -4.502 1.00 0.00 C ATOM 868 ND1 HIS A 56 -8.207 2.844 -5.661 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.633 2.972 -4.013 1.00 0.00 C ATOM 870 CE1 HIS A 56 -8.942 3.918 -5.863 1.00 0.00 C ATOM 871 NE2 HIS A 56 -9.811 4.020 -4.882 1.00 0.00 N ATOM 0 H HIS A 56 -9.997 0.180 -2.631 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.947 -0.438 -5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.794 1.090 -2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.972 0.877 -4.436 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.451 2.526 -6.268 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.195 2.785 -3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.847 4.600 -6.695 1.00 0.00 H new ATOM 880 N VAL A 57 -7.639 -2.455 -4.680 1.00 0.00 N ATOM 881 CA VAL A 57 -6.834 -3.632 -4.400 1.00 0.00 C ATOM 882 C VAL A 57 -5.399 -3.459 -4.895 1.00 0.00 C ATOM 883 O VAL A 57 -5.134 -3.461 -6.104 1.00 0.00 O ATOM 884 CB VAL A 57 -7.442 -4.893 -5.052 1.00 0.00 C ATOM 885 CG1 VAL A 57 -6.672 -6.143 -4.648 1.00 0.00 C ATOM 886 CG2 VAL A 57 -8.916 -5.028 -4.697 1.00 0.00 C ATOM 0 H VAL A 57 -8.019 -2.422 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.824 -3.755 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.361 -4.784 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.121 -7.016 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.634 -6.051 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.708 -6.258 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.323 -5.923 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.024 -5.105 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.458 -4.152 -5.054 1.00 0.00 H new ATOM 896 N PHE A 58 -4.490 -3.295 -3.948 1.00 0.00 N ATOM 897 CA PHE A 58 -3.061 -3.278 -4.234 1.00 0.00 C ATOM 898 C PHE A 58 -2.385 -4.403 -3.466 1.00 0.00 C ATOM 899 O PHE A 58 -2.515 -4.463 -2.244 1.00 0.00 O ATOM 900 CB PHE A 58 -2.367 -2.002 -3.745 1.00 0.00 C ATOM 901 CG PHE A 58 -2.789 -0.677 -4.279 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.115 -0.291 -4.376 1.00 0.00 C ATOM 903 CD2 PHE A 58 -1.804 0.223 -4.621 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.432 0.977 -4.820 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.115 1.479 -5.047 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.427 1.862 -5.149 1.00 0.00 C ATOM 0 H PHE A 58 -4.719 -3.170 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.973 -3.364 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.479 -1.966 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.302 -2.112 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.900 -0.981 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.768 -0.072 -4.550 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.466 1.276 -4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.328 2.173 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.674 2.858 -5.487 1.00 0.00 H new ATOM 916 N LYS A 59 -1.694 -5.314 -4.129 1.00 0.00 N ATOM 917 CA LYS A 59 -0.763 -6.168 -3.375 1.00 0.00 C ATOM 918 C LYS A 59 0.440 -5.381 -2.844 1.00 0.00 C ATOM 919 O LYS A 59 1.243 -4.861 -3.611 1.00 0.00 O ATOM 920 CB LYS A 59 -0.257 -7.325 -4.239 1.00 0.00 C ATOM 921 CG LYS A 59 -1.334 -8.304 -4.660 1.00 0.00 C ATOM 922 CD LYS A 59 -0.746 -9.668 -4.984 1.00 0.00 C ATOM 923 CE LYS A 59 -1.827 -10.663 -5.382 1.00 0.00 C ATOM 924 NZ LYS A 59 -2.326 -10.425 -6.763 1.00 0.00 N ATOM 0 H LYS A 59 -1.745 -5.485 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.324 -6.560 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.216 -6.917 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.514 -7.865 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.070 -8.403 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.860 -7.916 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.024 -9.570 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.203 -10.046 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.431 -11.676 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.658 -10.595 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.366 -10.442 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.995 -9.497 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.967 -11.169 -7.395 1.00 0.00 H new ATOM 938 N ALA A 60 0.494 -5.238 -1.524 1.00 0.00 N ATOM 939 CA ALA A 60 1.627 -4.609 -0.847 1.00 0.00 C ATOM 940 C ALA A 60 2.683 -5.610 -0.399 1.00 0.00 C ATOM 941 O ALA A 60 2.372 -6.643 0.177 1.00 0.00 O ATOM 942 CB ALA A 60 1.105 -3.862 0.361 1.00 0.00 C ATOM 0 H ALA A 60 -0.243 -5.553 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 60 2.109 -3.938 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.936 -3.385 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.394 -3.101 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.609 -4.561 1.035 1.00 0.00 H new ATOM 948 N TRP A 61 3.943 -5.287 -0.647 1.00 0.00 N ATOM 949 CA TRP A 61 5.043 -6.143 -0.237 1.00 0.00 C ATOM 950 C TRP A 61 6.245 -5.307 0.183 1.00 0.00 C ATOM 951 O TRP A 61 6.152 -4.093 0.300 1.00 0.00 O ATOM 952 CB TRP A 61 5.435 -7.078 -1.382 1.00 0.00 C ATOM 953 CG TRP A 61 6.005 -6.389 -2.587 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.315 -6.099 -2.817 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.291 -5.935 -3.739 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.457 -5.474 -4.029 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.232 -5.365 -4.615 1.00 0.00 C ATOM 958 CE3 TRP A 61 3.948 -5.949 -4.114 1.00 0.00 C ATOM 959 CZ2 TRP A 61 5.878 -4.820 -5.839 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.597 -5.411 -5.333 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.558 -4.852 -6.184 1.00 0.00 C ATOM 0 H TRP A 61 4.229 -4.436 -1.131 1.00 0.00 H new ATOM 0 HA TRP A 61 4.717 -6.738 0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.166 -7.797 -1.012 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.556 -7.645 -1.687 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.126 -6.328 -2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.336 -5.144 -4.427 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.198 -6.373 -3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.618 -4.386 -6.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.561 -5.421 -5.638 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.249 -4.438 -7.132 1.00 0.00 H new ATOM 972 N LYS A 62 7.360 -5.972 0.427 1.00 0.00 N ATOM 973 CA LYS A 62 8.619 -5.304 0.718 1.00 0.00 C ATOM 974 C LYS A 62 9.742 -5.923 -0.085 1.00 0.00 C ATOM 975 O LYS A 62 9.813 -7.143 -0.249 1.00 0.00 O ATOM 976 CB LYS A 62 8.949 -5.362 2.207 1.00 0.00 C ATOM 977 CG LYS A 62 8.059 -4.470 3.051 1.00 0.00 C ATOM 978 CD LYS A 62 8.704 -4.158 4.379 1.00 0.00 C ATOM 979 CE LYS A 62 7.886 -3.139 5.130 1.00 0.00 C ATOM 980 NZ LYS A 62 6.611 -3.714 5.626 1.00 0.00 N ATOM 0 H LYS A 62 7.420 -6.990 0.429 1.00 0.00 H new ATOM 0 HA LYS A 62 8.512 -4.257 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.855 -6.391 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.989 -5.070 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.856 -3.543 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.099 -4.960 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.795 -5.069 4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.714 -3.779 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.464 -2.757 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.674 -2.291 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.207 -3.088 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.941 -3.805 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.790 -4.652 6.038 1.00 0.00 H new ATOM 994 N GLU A 63 10.616 -5.073 -0.581 1.00 0.00 N ATOM 995 CA GLU A 63 11.723 -5.512 -1.424 1.00 0.00 C ATOM 996 C GLU A 63 13.013 -4.874 -0.971 1.00 0.00 C ATOM 997 O GLU A 63 13.041 -3.697 -0.608 1.00 0.00 O ATOM 998 CB GLU A 63 11.484 -5.167 -2.892 1.00 0.00 C ATOM 999 CG GLU A 63 10.487 -6.067 -3.592 1.00 0.00 C ATOM 1000 CD GLU A 63 11.075 -7.405 -3.989 1.00 0.00 C ATOM 1001 OE1 GLU A 63 11.798 -7.456 -5.005 1.00 0.00 O ATOM 1002 OE2 GLU A 63 10.813 -8.410 -3.295 1.00 0.00 O ATOM 0 H GLU A 63 10.586 -4.067 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 63 11.792 -6.596 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.134 -4.137 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.434 -5.216 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.632 -6.232 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.113 -5.562 -4.483 1.00 0.00 H new ATOM 1009 N ILE A 64 14.075 -5.656 -0.992 1.00 0.00 N ATOM 1010 CA ILE A 64 15.376 -5.176 -0.582 1.00 0.00 C ATOM 1011 C ILE A 64 15.984 -4.267 -1.646 1.00 0.00 C ATOM 1012 O ILE A 64 15.843 -4.500 -2.848 1.00 0.00 O ATOM 1013 CB ILE A 64 16.322 -6.338 -0.233 1.00 0.00 C ATOM 1014 CG1 ILE A 64 15.963 -6.900 1.146 1.00 0.00 C ATOM 1015 CG2 ILE A 64 17.785 -5.909 -0.264 1.00 0.00 C ATOM 1016 CD1 ILE A 64 14.673 -7.694 1.187 1.00 0.00 C ATOM 0 H ILE A 64 14.059 -6.631 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 64 15.239 -4.586 0.324 1.00 0.00 H new ATOM 0 HB ILE A 64 16.195 -7.113 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 64 16.778 -7.538 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.888 -6.073 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 18.419 -6.759 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.038 -5.551 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.945 -5.110 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.499 -8.053 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.844 -7.057 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.747 -8.544 0.509 1.00 0.00 H new ATOM 1028 N VAL A 65 16.673 -3.244 -1.172 1.00 0.00 N ATOM 1029 CA VAL A 65 17.265 -2.243 -2.045 1.00 0.00 C ATOM 1030 C VAL A 65 18.565 -1.733 -1.483 1.00 0.00 C ATOM 1031 O VAL A 65 19.060 -2.246 -0.488 1.00 0.00 O ATOM 1032 CB VAL A 65 16.345 -1.022 -2.327 1.00 0.00 C ATOM 1033 CG1 VAL A 65 14.949 -1.446 -2.759 1.00 0.00 C ATOM 1034 CG2 VAL A 65 16.282 -0.092 -1.130 1.00 0.00 C ATOM 0 H VAL A 65 16.838 -3.083 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 65 17.426 -2.763 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 65 16.790 -0.476 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.341 -0.561 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.015 -2.039 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.490 -2.042 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.631 0.752 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.887 -0.632 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 65 17.283 0.274 -0.900 1.00 0.00 H new ATOM 1044 N ASP A 66 19.111 -0.753 -2.173 1.00 0.00 N ATOM 1045 CA ASP A 66 20.210 0.065 -1.724 1.00 0.00 C ATOM 1046 C ASP A 66 20.182 1.274 -2.633 1.00 0.00 C ATOM 1047 O ASP A 66 20.168 1.126 -3.856 1.00 0.00 O ATOM 1048 CB ASP A 66 21.562 -0.659 -1.792 1.00 0.00 C ATOM 1049 CG ASP A 66 22.085 -0.870 -3.203 1.00 0.00 C ATOM 1050 OD1 ASP A 66 21.622 -1.810 -3.885 1.00 0.00 O ATOM 1051 OD2 ASP A 66 22.982 -0.109 -3.633 1.00 0.00 O ATOM 0 H ASP A 66 18.783 -0.496 -3.104 1.00 0.00 H new ATOM 0 HA ASP A 66 20.100 0.329 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 66 22.297 -0.087 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.467 -1.628 -1.303 1.00 0.00 H new ATOM 1056 N ALA A 67 20.102 2.465 -2.082 1.00 0.00 N ATOM 1057 CA ALA A 67 19.794 3.635 -2.896 1.00 0.00 C ATOM 1058 C ALA A 67 20.770 4.769 -2.600 1.00 0.00 C ATOM 1059 O ALA A 67 21.275 4.877 -1.486 1.00 0.00 O ATOM 1060 CB ALA A 67 18.366 4.089 -2.636 1.00 0.00 C ATOM 0 H ALA A 67 20.242 2.655 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 67 19.894 3.362 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 18.145 4.963 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 67 17.676 3.284 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 67 18.252 4.345 -1.583 1.00 0.00 H new ATOM 1066 N PRO A 68 21.054 5.627 -3.587 1.00 0.00 N ATOM 1067 CA PRO A 68 22.014 6.711 -3.424 1.00 0.00 C ATOM 1068 C PRO A 68 21.464 7.914 -2.651 1.00 0.00 C ATOM 1069 O PRO A 68 21.616 8.000 -1.432 1.00 0.00 O ATOM 1070 CB PRO A 68 22.372 7.110 -4.863 1.00 0.00 C ATOM 1071 CG PRO A 68 21.612 6.181 -5.761 1.00 0.00 C ATOM 1072 CD PRO A 68 20.496 5.602 -4.940 1.00 0.00 C ATOM 0 HA PRO A 68 22.868 6.383 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 68 22.100 8.147 -5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 68 23.445 7.024 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 68 21.219 6.715 -6.626 1.00 0.00 H new ATOM 0 HG3 PRO A 68 22.262 5.393 -6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 68 19.586 6.197 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.242 4.590 -5.256 1.00 0.00 H new ATOM 1080 N LYS A 69 20.832 8.838 -3.360 1.00 0.00 N ATOM 1081 CA LYS A 69 20.460 10.125 -2.782 1.00 0.00 C ATOM 1082 C LYS A 69 19.034 10.130 -2.234 1.00 0.00 C ATOM 1083 O LYS A 69 18.809 10.561 -1.107 1.00 0.00 O ATOM 1084 CB LYS A 69 20.618 11.232 -3.832 1.00 0.00 C ATOM 1085 CG LYS A 69 21.941 11.177 -4.585 1.00 0.00 C ATOM 1086 CD LYS A 69 23.098 10.910 -3.642 1.00 0.00 C ATOM 1087 CE LYS A 69 24.429 10.847 -4.373 1.00 0.00 C ATOM 1088 NZ LYS A 69 25.552 10.550 -3.445 1.00 0.00 N ATOM 0 H LYS A 69 20.565 8.722 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 69 21.130 10.308 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 69 19.799 11.161 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.529 12.201 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.899 10.395 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.104 12.119 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 69 23.137 11.694 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.928 9.970 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.384 10.080 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.614 11.796 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.444 10.515 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.611 11.295 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.388 9.632 -2.984 1.00 0.00 H new ATOM 1102 N ASN A 70 18.084 9.698 -3.065 1.00 0.00 N ATOM 1103 CA ASN A 70 16.641 9.728 -2.741 1.00 0.00 C ATOM 1104 C ASN A 70 16.232 8.879 -1.516 1.00 0.00 C ATOM 1105 O ASN A 70 15.103 8.404 -1.419 1.00 0.00 O ATOM 1106 CB ASN A 70 15.843 9.313 -3.987 1.00 0.00 C ATOM 1107 CG ASN A 70 14.356 9.631 -3.902 1.00 0.00 C ATOM 1108 OD1 ASN A 70 13.538 8.772 -3.567 1.00 0.00 O ATOM 1109 ND2 ASN A 70 13.998 10.868 -4.212 1.00 0.00 N ATOM 0 H ASN A 70 18.286 9.314 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 70 16.407 10.753 -2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 70 16.263 9.815 -4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 70 15.967 8.242 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.015 11.138 -4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.705 11.550 -4.485 1.00 0.00 H new ATOM 1116 N ARG A 71 17.138 8.680 -0.583 1.00 0.00 N ATOM 1117 CA ARG A 71 16.784 8.144 0.721 1.00 0.00 C ATOM 1118 C ARG A 71 16.282 9.260 1.623 1.00 0.00 C ATOM 1119 O ARG A 71 16.425 10.438 1.304 1.00 0.00 O ATOM 1120 CB ARG A 71 18.006 7.531 1.400 1.00 0.00 C ATOM 1121 CG ARG A 71 18.825 6.603 0.531 1.00 0.00 C ATOM 1122 CD ARG A 71 20.185 6.349 1.161 1.00 0.00 C ATOM 1123 NE ARG A 71 21.007 7.559 1.198 1.00 0.00 N ATOM 1124 CZ ARG A 71 21.254 8.282 2.294 1.00 0.00 C ATOM 1125 NH1 ARG A 71 20.714 7.948 3.463 1.00 0.00 N ATOM 1126 NH2 ARG A 71 22.038 9.350 2.212 1.00 0.00 N ATOM 0 H ARG A 71 18.131 8.881 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 71 16.014 7.388 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 71 18.650 8.337 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.675 6.981 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.297 5.659 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.952 7.040 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.050 5.971 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 71 20.706 5.574 0.599 1.00 0.00 H new ATOM 0 HE ARG A 71 21.423 7.874 0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.105 7.133 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.909 8.507 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.448 9.614 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.231 9.906 3.045 1.00 0.00 H new ATOM 1140 N PRO A 72 15.673 8.901 2.754 1.00 0.00 N ATOM 1141 CA PRO A 72 15.474 9.830 3.856 1.00 0.00 C ATOM 1142 C PRO A 72 16.791 10.154 4.511 1.00 0.00 C ATOM 1143 O PRO A 72 17.810 9.511 4.253 1.00 0.00 O ATOM 1144 CB PRO A 72 14.610 9.069 4.843 1.00 0.00 C ATOM 1145 CG PRO A 72 14.101 7.878 4.109 1.00 0.00 C ATOM 1146 CD PRO A 72 15.113 7.580 3.046 1.00 0.00 C ATOM 0 HA PRO A 72 15.027 10.767 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.187 8.771 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.787 9.688 5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.980 7.028 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.123 8.079 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.876 6.885 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.654 7.131 2.165 1.00 0.00 H new ATOM 1154 N ALA A 73 16.756 11.121 5.391 1.00 0.00 N ATOM 1155 CA ALA A 73 17.956 11.605 6.019 1.00 0.00 C ATOM 1156 C ALA A 73 18.376 10.719 7.179 1.00 0.00 C ATOM 1157 O ALA A 73 19.370 10.987 7.852 1.00 0.00 O ATOM 1158 CB ALA A 73 17.740 13.029 6.467 1.00 0.00 C ATOM 0 H ALA A 73 15.902 11.591 5.690 1.00 0.00 H new ATOM 0 HA ALA A 73 18.770 11.577 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.646 13.402 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.503 13.650 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.915 13.066 7.178 1.00 0.00 H new ATOM 1164 N TRP A 74 17.614 9.663 7.403 1.00 0.00 N ATOM 1165 CA TRP A 74 17.936 8.711 8.449 1.00 0.00 C ATOM 1166 C TRP A 74 18.135 7.306 7.876 1.00 0.00 C ATOM 1167 O TRP A 74 19.024 6.575 8.312 1.00 0.00 O ATOM 1168 CB TRP A 74 16.808 8.696 9.494 1.00 0.00 C ATOM 1169 CG TRP A 74 15.450 8.498 8.885 1.00 0.00 C ATOM 1170 CD1 TRP A 74 14.584 9.470 8.470 1.00 0.00 C ATOM 1171 CD2 TRP A 74 14.810 7.249 8.605 1.00 0.00 C ATOM 1172 NE1 TRP A 74 13.460 8.898 7.927 1.00 0.00 N ATOM 1173 CE2 TRP A 74 13.573 7.537 8.004 1.00 0.00 C ATOM 1174 CE3 TRP A 74 15.167 5.912 8.798 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 12.702 6.539 7.590 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 14.300 4.925 8.388 1.00 0.00 C ATOM 1177 CH2 TRP A 74 13.082 5.242 7.791 1.00 0.00 C ATOM 0 H TRP A 74 16.769 9.444 6.875 1.00 0.00 H new ATOM 0 HA TRP A 74 18.870 9.018 8.920 1.00 0.00 H new ATOM 0 HB2 TRP A 74 16.997 7.900 10.214 1.00 0.00 H new ATOM 0 HB3 TRP A 74 16.819 9.635 10.047 1.00 0.00 H new ATOM 0 HD1 TRP A 74 14.758 10.532 8.556 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.669 9.406 7.531 1.00 0.00 H new ATOM 0 HE3 TRP A 74 16.109 5.657 9.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.757 6.779 7.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 14.568 3.889 8.531 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.423 4.445 7.480 1.00 0.00 H new ATOM 1188 N MET A 75 17.315 6.934 6.892 1.00 0.00 N ATOM 1189 CA MET A 75 17.408 5.593 6.321 1.00 0.00 C ATOM 1190 C MET A 75 18.616 5.430 5.407 1.00 0.00 C ATOM 1191 O MET A 75 18.819 6.215 4.480 1.00 0.00 O ATOM 1192 CB MET A 75 16.135 5.228 5.570 1.00 0.00 C ATOM 1193 CG MET A 75 15.967 3.728 5.393 1.00 0.00 C ATOM 1194 SD MET A 75 14.279 3.257 4.977 1.00 0.00 S ATOM 1195 CE MET A 75 13.925 4.451 3.701 1.00 0.00 C ATOM 0 H MET A 75 16.595 7.528 6.482 1.00 0.00 H new ATOM 0 HA MET A 75 17.536 4.910 7.161 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.274 5.625 6.108 1.00 0.00 H new ATOM 0 HB3 MET A 75 16.146 5.706 4.591 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.639 3.382 4.608 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.264 3.223 6.312 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.330 3.981 2.918 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.368 5.285 4.128 1.00 0.00 H new ATOM 0 HE3 MET A 75 14.860 4.818 3.276 1.00 0.00 H new ATOM 1205 N PRO A 76 19.434 4.399 5.669 1.00 0.00 N ATOM 1206 CA PRO A 76 20.583 4.054 4.833 1.00 0.00 C ATOM 1207 C PRO A 76 20.158 3.411 3.526 1.00 0.00 C ATOM 1208 O PRO A 76 19.087 2.811 3.450 1.00 0.00 O ATOM 1209 CB PRO A 76 21.364 3.037 5.662 1.00 0.00 C ATOM 1210 CG PRO A 76 20.719 3.020 7.006 1.00 0.00 C ATOM 1211 CD PRO A 76 19.306 3.479 6.802 1.00 0.00 C ATOM 0 HA PRO A 76 21.159 4.941 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.331 2.050 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.414 3.319 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 76 20.744 2.019 7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 76 21.245 3.678 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 76 18.638 2.648 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 76 18.909 3.977 7.687 1.00 0.00 H new ATOM 1219 N GLU A 77 20.989 3.600 2.502 1.00 0.00 N ATOM 1220 CA GLU A 77 20.829 3.037 1.170 1.00 0.00 C ATOM 1221 C GLU A 77 20.032 1.769 1.117 1.00 0.00 C ATOM 1222 O GLU A 77 19.003 1.705 0.444 1.00 0.00 O ATOM 1223 CB GLU A 77 22.213 2.804 0.548 1.00 0.00 C ATOM 1224 CG GLU A 77 23.184 2.075 1.463 1.00 0.00 C ATOM 1225 CD GLU A 77 24.501 1.761 0.790 1.00 0.00 C ATOM 1226 OE1 GLU A 77 25.382 2.645 0.757 1.00 0.00 O ATOM 1227 OE2 GLU A 77 24.663 0.627 0.295 1.00 0.00 O ATOM 0 H GLU A 77 21.827 4.175 2.586 1.00 0.00 H new ATOM 0 HA GLU A 77 20.255 3.768 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 77 22.096 2.231 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 77 22.643 3.767 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 77 23.370 2.684 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 77 22.726 1.147 1.806 1.00 0.00 H new ATOM 1234 N LYS A 78 20.479 0.774 1.820 1.00 0.00 N ATOM 1235 CA LYS A 78 19.985 -0.543 1.568 1.00 0.00 C ATOM 1236 C LYS A 78 18.932 -0.919 2.599 1.00 0.00 C ATOM 1237 O LYS A 78 19.197 -0.943 3.805 1.00 0.00 O ATOM 1238 CB LYS A 78 21.165 -1.539 1.491 1.00 0.00 C ATOM 1239 CG LYS A 78 21.212 -2.633 2.556 1.00 0.00 C ATOM 1240 CD LYS A 78 20.258 -3.779 2.255 1.00 0.00 C ATOM 1241 CE LYS A 78 20.370 -4.870 3.304 1.00 0.00 C ATOM 1242 NZ LYS A 78 19.369 -5.948 3.099 1.00 0.00 N ATOM 0 H LYS A 78 21.175 0.847 2.562 1.00 0.00 H new ATOM 0 HA LYS A 78 19.484 -0.579 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 78 21.142 -2.018 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 78 22.094 -0.971 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 78 22.228 -3.020 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.963 -2.202 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.235 -3.406 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.479 -4.192 1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.373 -5.297 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.236 -4.435 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.482 -6.671 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.411 -5.547 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.512 -6.382 2.165 1.00 0.00 H new ATOM 1256 N ILE A 79 17.723 -1.181 2.110 1.00 0.00 N ATOM 1257 CA ILE A 79 16.574 -1.443 2.980 1.00 0.00 C ATOM 1258 C ILE A 79 15.425 -2.056 2.197 1.00 0.00 C ATOM 1259 O ILE A 79 15.411 -2.028 0.974 1.00 0.00 O ATOM 1260 CB ILE A 79 16.080 -0.169 3.731 1.00 0.00 C ATOM 1261 CG1 ILE A 79 16.483 1.130 3.016 1.00 0.00 C ATOM 1262 CG2 ILE A 79 16.607 -0.148 5.162 1.00 0.00 C ATOM 1263 CD1 ILE A 79 15.805 1.357 1.689 1.00 0.00 C ATOM 0 H ILE A 79 17.511 -1.218 1.113 1.00 0.00 H new ATOM 0 HA ILE A 79 16.920 -2.153 3.732 1.00 0.00 H new ATOM 0 HB ILE A 79 14.991 -0.219 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.261 1.973 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 79 17.562 1.123 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.250 0.749 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.251 -1.030 5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.697 -0.148 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.151 2.297 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.047 0.538 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.726 1.401 1.835 1.00 0.00 H new ATOM 1275 N SER A 80 14.481 -2.626 2.913 1.00 0.00 N ATOM 1276 CA SER A 80 13.331 -3.267 2.303 1.00 0.00 C ATOM 1277 C SER A 80 12.071 -2.443 2.544 1.00 0.00 C ATOM 1278 O SER A 80 11.447 -2.529 3.607 1.00 0.00 O ATOM 1279 CB SER A 80 13.180 -4.686 2.857 1.00 0.00 C ATOM 1280 OG SER A 80 13.141 -4.694 4.276 1.00 0.00 O ATOM 0 H SER A 80 14.486 -2.660 3.932 1.00 0.00 H new ATOM 0 HA SER A 80 13.483 -3.330 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.267 -5.134 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.011 -5.302 2.512 1.00 0.00 H new ATOM 0 HG SER A 80 12.535 -3.991 4.591 1.00 0.00 H new ATOM 1286 N LYS A 81 11.721 -1.607 1.576 1.00 0.00 N ATOM 1287 CA LYS A 81 10.585 -0.718 1.692 1.00 0.00 C ATOM 1288 C LYS A 81 9.287 -1.427 1.346 1.00 0.00 C ATOM 1289 O LYS A 81 9.299 -2.438 0.647 1.00 0.00 O ATOM 1290 CB LYS A 81 10.776 0.431 0.733 1.00 0.00 C ATOM 1291 CG LYS A 81 12.216 0.863 0.605 1.00 0.00 C ATOM 1292 CD LYS A 81 12.266 2.282 0.114 1.00 0.00 C ATOM 1293 CE LYS A 81 13.626 2.637 -0.464 1.00 0.00 C ATOM 1294 NZ LYS A 81 13.596 3.899 -1.250 1.00 0.00 N ATOM 0 H LYS A 81 12.220 -1.530 0.690 1.00 0.00 H new ATOM 0 HA LYS A 81 10.523 -0.369 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.401 0.143 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.177 1.278 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.719 0.781 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.744 0.208 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.499 2.430 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.034 2.959 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.348 2.734 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.970 1.823 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.546 4.098 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.927 3.800 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.294 4.683 -0.637 1.00 0.00 H new ATOM 1308 N PRO A 82 8.151 -0.898 1.815 1.00 0.00 N ATOM 1309 CA PRO A 82 6.840 -1.431 1.479 1.00 0.00 C ATOM 1310 C PRO A 82 6.363 -0.949 0.116 1.00 0.00 C ATOM 1311 O PRO A 82 5.815 0.148 -0.010 1.00 0.00 O ATOM 1312 CB PRO A 82 5.924 -0.878 2.572 1.00 0.00 C ATOM 1313 CG PRO A 82 6.794 -0.071 3.485 1.00 0.00 C ATOM 1314 CD PRO A 82 8.044 0.246 2.718 1.00 0.00 C ATOM 0 HA PRO A 82 6.851 -2.520 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.135 -0.261 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.436 -1.687 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.287 0.843 3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.027 -0.629 4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.960 1.187 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.912 0.331 3.372 1.00 0.00 H new ATOM 1322 N PHE A 83 6.578 -1.763 -0.900 1.00 0.00 N ATOM 1323 CA PHE A 83 6.140 -1.436 -2.238 1.00 0.00 C ATOM 1324 C PHE A 83 4.788 -2.044 -2.516 1.00 0.00 C ATOM 1325 O PHE A 83 4.599 -3.252 -2.419 1.00 0.00 O ATOM 1326 CB PHE A 83 7.125 -1.944 -3.276 1.00 0.00 C ATOM 1327 CG PHE A 83 8.537 -1.519 -3.022 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.908 -0.188 -3.107 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.489 -2.457 -2.684 1.00 0.00 C ATOM 1330 CE1 PHE A 83 10.211 0.196 -2.860 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.790 -2.084 -2.436 1.00 0.00 C ATOM 1332 CZ PHE A 83 11.157 -0.755 -2.523 1.00 0.00 C ATOM 0 H PHE A 83 7.057 -2.660 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 83 6.078 -0.350 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.082 -3.033 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.819 -1.588 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.171 0.557 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.210 -3.498 -2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.491 1.237 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.525 -2.831 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.178 -0.460 -2.329 1.00 0.00 H new ATOM 1342 N VAL A 84 3.847 -1.194 -2.823 1.00 0.00 N ATOM 1343 CA VAL A 84 2.523 -1.654 -3.201 1.00 0.00 C ATOM 1344 C VAL A 84 2.371 -1.648 -4.715 1.00 0.00 C ATOM 1345 O VAL A 84 3.278 -1.230 -5.441 1.00 0.00 O ATOM 1346 CB VAL A 84 1.413 -0.767 -2.574 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.246 -1.606 -2.126 1.00 0.00 C ATOM 1348 CG2 VAL A 84 1.933 0.070 -1.412 1.00 0.00 C ATOM 0 H VAL A 84 3.964 -0.181 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 84 2.412 -2.671 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 84 1.080 -0.080 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.519 -0.963 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.171 -2.136 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.581 -2.327 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.121 0.673 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.320 -0.588 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.731 0.724 -1.763 1.00 0.00 H new ATOM 1358 N LYS A 85 1.214 -2.081 -5.177 1.00 0.00 N ATOM 1359 CA LYS A 85 0.957 -2.263 -6.584 1.00 0.00 C ATOM 1360 C LYS A 85 -0.526 -2.435 -6.824 1.00 0.00 C ATOM 1361 O LYS A 85 -1.112 -3.471 -6.504 1.00 0.00 O ATOM 1362 CB LYS A 85 1.702 -3.474 -7.134 1.00 0.00 C ATOM 1363 CG LYS A 85 1.017 -4.114 -8.329 1.00 0.00 C ATOM 1364 CD LYS A 85 0.998 -5.630 -8.200 1.00 0.00 C ATOM 1365 CE LYS A 85 0.172 -6.276 -9.300 1.00 0.00 C ATOM 1366 NZ LYS A 85 -0.110 -7.708 -9.015 1.00 0.00 N ATOM 0 H LYS A 85 0.423 -2.317 -4.578 1.00 0.00 H new ATOM 0 HA LYS A 85 1.314 -1.374 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.709 -3.172 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.806 -4.217 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.003 -3.740 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.535 -3.830 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.018 -6.012 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.591 -5.908 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.768 -5.736 -9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.702 -6.192 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.493 -8.163 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.770 -8.186 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.804 -7.778 -8.244 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.131 -1.397 -7.325 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.498 -1.472 -7.763 1.00 0.00 C ATOM 1382 C LYS A 86 -2.655 -2.472 -8.886 1.00 0.00 C ATOM 1383 O LYS A 86 -1.960 -2.417 -9.900 1.00 0.00 O ATOM 1384 CB LYS A 86 -2.982 -0.096 -8.192 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.451 -0.046 -8.546 1.00 0.00 C ATOM 1386 CD LYS A 86 -4.886 1.377 -8.822 1.00 0.00 C ATOM 1387 CE LYS A 86 -6.383 1.469 -9.012 1.00 0.00 C ATOM 1388 NZ LYS A 86 -6.825 0.820 -10.279 1.00 0.00 N ATOM 0 H LYS A 86 -0.697 -0.481 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.110 -1.815 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.788 0.614 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.399 0.231 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.640 -0.666 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.042 -0.460 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.583 2.019 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.381 1.747 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.885 0.997 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.684 2.517 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.790 1.131 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.181 1.089 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.812 -0.213 -10.162 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.593 -3.373 -8.690 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.850 -4.400 -9.670 1.00 0.00 C ATOM 1404 C GLU A 87 -5.321 -4.443 -10.051 1.00 0.00 C ATOM 1405 O GLU A 87 -5.654 -4.733 -11.202 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.377 -5.755 -9.165 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.073 -6.224 -7.909 1.00 0.00 C ATOM 1408 CD GLU A 87 -3.621 -7.607 -7.508 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -2.396 -7.839 -7.453 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -4.483 -8.477 -7.270 1.00 0.00 O ATOM 0 H GLU A 87 -4.188 -3.414 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.284 -4.155 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.529 -6.496 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.305 -5.706 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.871 -5.525 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.151 -6.225 -8.068 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.211 -4.158 -9.102 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.634 -4.215 -9.404 1.00 0.00 C ATOM 1419 C ARG A 88 -8.435 -3.256 -8.530 1.00 0.00 C ATOM 1420 O ARG A 88 -7.971 -2.810 -7.480 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.136 -5.651 -9.221 1.00 0.00 C ATOM 1422 CG ARG A 88 -9.234 -6.047 -10.197 1.00 0.00 C ATOM 1423 CD ARG A 88 -9.442 -7.556 -10.225 1.00 0.00 C ATOM 1424 NE ARG A 88 -10.051 -8.059 -8.996 1.00 0.00 N ATOM 1425 CZ ARG A 88 -9.562 -9.067 -8.273 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -8.415 -9.641 -8.619 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -10.221 -9.497 -7.203 1.00 0.00 N ATOM 0 H ARG A 88 -5.979 -3.893 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.777 -3.905 -10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.296 -6.337 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.508 -5.769 -8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.166 -5.556 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.977 -5.696 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.075 -7.817 -11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.482 -8.049 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.906 -7.610 -8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.906 -9.311 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.043 -10.412 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.101 -9.056 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.847 -10.268 -6.650 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.631 -2.922 -8.994 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.578 -2.135 -8.215 1.00 0.00 C ATOM 1443 C ILE A 89 -11.873 -2.891 -8.074 1.00 0.00 C ATOM 1444 O ILE A 89 -12.607 -3.048 -9.053 1.00 0.00 O ATOM 1445 CB ILE A 89 -10.897 -0.768 -8.858 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -9.694 0.150 -8.760 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -12.105 -0.140 -8.171 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -9.242 0.329 -7.341 1.00 0.00 C ATOM 0 H ILE A 89 -9.972 -3.188 -9.918 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.108 -1.958 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.132 -0.917 -9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.876 -0.259 -9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.943 1.121 -9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.324 0.824 -8.630 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.968 -0.798 -8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.888 0.003 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.378 0.993 -7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.051 0.763 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.968 -0.639 -6.922 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.156 -3.396 -6.888 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.392 -4.120 -6.665 1.00 0.00 C ATOM 1462 C GLU A 90 -14.521 -3.239 -6.159 1.00 0.00 C ATOM 1463 O GLU A 90 -14.392 -2.023 -6.025 1.00 0.00 O ATOM 1464 CB GLU A 90 -13.172 -5.219 -5.636 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.036 -6.154 -5.965 1.00 0.00 C ATOM 1466 CD GLU A 90 -12.331 -7.054 -7.138 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -12.258 -6.589 -8.291 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -12.606 -8.246 -6.911 1.00 0.00 O ATOM 0 H GLU A 90 -11.552 -3.319 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.680 -4.525 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.981 -4.760 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.089 -5.800 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.142 -5.568 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.813 -6.767 -5.092 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.632 -3.901 -5.904 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.778 -3.312 -5.236 1.00 0.00 C ATOM 1477 C LYS A 91 -16.519 -3.357 -3.736 1.00 0.00 C ATOM 1478 O LYS A 91 -15.562 -4.009 -3.306 1.00 0.00 O ATOM 1479 CB LYS A 91 -18.059 -4.083 -5.573 1.00 0.00 C ATOM 1480 CG LYS A 91 -17.999 -5.551 -5.171 1.00 0.00 C ATOM 1481 CD LYS A 91 -19.347 -6.245 -5.299 1.00 0.00 C ATOM 1482 CE LYS A 91 -19.795 -6.370 -6.744 1.00 0.00 C ATOM 1483 NZ LYS A 91 -21.062 -7.142 -6.853 1.00 0.00 N ATOM 0 H LYS A 91 -15.767 -4.879 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.914 -2.283 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.903 -3.610 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.246 -4.014 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.268 -6.066 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.650 -5.629 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.286 -7.238 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.095 -5.687 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.934 -5.377 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.016 -6.861 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -21.342 -7.210 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.921 -8.097 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.810 -6.659 -6.316 1.00 0.00 H new