USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ 171:sc= -2.79! (180deg=-2.87!) USER MOD Set 1.2: A 63 TYR OH : rot 34:sc= -0.916! USER MOD Set 2.1: A 8 LYS NZ :NH3+ -166:sc= 0.006 (180deg=-0.248) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 33:sc= 0.307 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00848 USER MOD Single : A 7 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 14 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -20:sc= 0.264 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0234 (180deg=-0.332) USER MOD Single : A 24 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.48) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.6 USER MOD Single : A 33 GLN :FLIP amide:sc= -2.27! C(o=-2.8!,f=-2.3!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0022 K(o=-0.0022,f=-1.2) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.301 (180deg=-0.594) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 69:sc= -2.16 USER MOD Single : A 62 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.34) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.195) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -28:sc= -2.49! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.178 -9.617 -0.130 1.00 1.00 N ATOM 16 CA SER A 4 15.485 -8.366 0.550 1.00 1.00 C ATOM 17 C SER A 4 14.205 -7.684 1.010 1.00 1.00 C ATOM 18 O SER A 4 13.145 -7.864 0.412 1.00 1.00 O ATOM 19 CB SER A 4 16.255 -7.435 -0.388 1.00 1.00 C ATOM 20 OG SER A 4 17.314 -8.159 -1.000 1.00 1.00 O ATOM 0 HA SER A 4 16.100 -8.588 1.422 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.587 -7.032 -1.149 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.653 -6.586 0.169 1.00 1.00 H new ATOM 0 HG SER A 4 17.043 -9.092 -1.125 1.00 1.00 H new ATOM 26 N THR A 5 14.308 -6.911 2.081 1.00 1.00 N ATOM 27 CA THR A 5 13.149 -6.213 2.615 1.00 1.00 C ATOM 28 C THR A 5 12.577 -5.267 1.574 1.00 1.00 C ATOM 29 O THR A 5 11.364 -5.190 1.391 1.00 1.00 O ATOM 30 CB THR A 5 13.541 -5.408 3.859 1.00 1.00 C ATOM 31 OG1 THR A 5 14.351 -6.210 4.706 1.00 1.00 O ATOM 32 CG2 THR A 5 12.286 -4.981 4.626 1.00 1.00 C ATOM 0 H THR A 5 15.175 -6.752 2.594 1.00 1.00 H new ATOM 0 HA THR A 5 12.398 -6.956 2.883 1.00 1.00 H new ATOM 0 HB THR A 5 14.093 -4.521 3.547 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.603 -5.695 5.501 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.575 -4.410 5.508 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.659 -4.363 3.983 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.729 -5.866 4.934 1.00 1.00 H new ATOM 40 N LEU A 6 13.454 -4.537 0.897 1.00 1.00 N ATOM 41 CA LEU A 6 13.010 -3.588 -0.115 1.00 1.00 C ATOM 42 C LEU A 6 12.356 -4.318 -1.287 1.00 1.00 C ATOM 43 O LEU A 6 11.302 -3.919 -1.783 1.00 1.00 O ATOM 44 CB LEU A 6 14.214 -2.773 -0.618 1.00 1.00 C ATOM 45 CG LEU A 6 13.772 -1.364 -1.061 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.637 -1.474 -2.085 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.301 -0.539 0.164 1.00 1.00 C ATOM 0 H LEU A 6 14.465 -4.582 1.028 1.00 1.00 H new ATOM 0 HA LEU A 6 12.274 -2.919 0.331 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.961 -2.694 0.172 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.686 -3.291 -1.453 1.00 1.00 H new ATOM 0 HG LEU A 6 14.621 -0.856 -1.519 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.328 -0.476 -2.395 1.00 1.00 H new ATOM 0 HD12 LEU A 6 12.984 -2.033 -2.954 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.790 -1.992 -1.635 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.992 0.454 -0.163 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.460 -1.043 0.640 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.120 -0.447 0.877 1.00 1.00 H new ATOM 59 N GLN A 7 12.987 -5.392 -1.727 1.00 1.00 N ATOM 60 CA GLN A 7 12.458 -6.141 -2.850 1.00 1.00 C ATOM 61 C GLN A 7 11.059 -6.646 -2.547 1.00 1.00 C ATOM 62 O GLN A 7 10.151 -6.525 -3.370 1.00 1.00 O ATOM 63 CB GLN A 7 13.387 -7.315 -3.172 1.00 1.00 C ATOM 64 CG GLN A 7 12.838 -8.116 -4.360 1.00 1.00 C ATOM 65 CD GLN A 7 12.711 -7.218 -5.584 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.714 -6.744 -6.116 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.524 -6.946 -6.055 1.00 1.00 N ATOM 0 H GLN A 7 13.852 -5.760 -1.331 1.00 1.00 H new ATOM 0 HA GLN A 7 12.402 -5.481 -3.715 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.386 -6.945 -3.404 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.482 -7.963 -2.300 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.500 -8.953 -4.581 1.00 1.00 H new ATOM 0 HG3 GLN A 7 11.865 -8.537 -4.106 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.696 -7.342 -5.610 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.425 -6.338 -6.868 1.00 1.00 H new ATOM 76 N LYS A 8 10.890 -7.213 -1.365 1.00 1.00 N ATOM 77 CA LYS A 8 9.594 -7.740 -0.976 1.00 1.00 C ATOM 78 C LYS A 8 8.566 -6.618 -0.890 1.00 1.00 C ATOM 79 O LYS A 8 7.431 -6.766 -1.339 1.00 1.00 O ATOM 80 CB LYS A 8 9.702 -8.455 0.376 1.00 1.00 C ATOM 81 CG LYS A 8 8.582 -9.495 0.512 1.00 1.00 C ATOM 82 CD LYS A 8 8.794 -10.300 1.790 1.00 1.00 C ATOM 83 CE LYS A 8 7.774 -11.430 1.855 1.00 1.00 C ATOM 84 NZ LYS A 8 6.407 -10.860 2.009 1.00 1.00 N ATOM 0 H LYS A 8 11.625 -7.320 -0.665 1.00 1.00 H new ATOM 0 HA LYS A 8 9.268 -8.454 -1.732 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.674 -8.942 0.462 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.636 -7.729 1.187 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.611 -9.000 0.537 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.579 -10.158 -0.353 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.805 -10.707 1.812 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.691 -9.653 2.661 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.827 -12.034 0.949 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.000 -12.090 2.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 5.746 -11.613 2.289 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 6.419 -10.121 2.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 6.099 -10.448 1.105 1.00 1.00 H new ATOM 98 N ALA A 9 8.972 -5.493 -0.305 1.00 1.00 N ATOM 99 CA ALA A 9 8.074 -4.360 -0.163 1.00 1.00 C ATOM 100 C ALA A 9 7.520 -3.964 -1.531 1.00 1.00 C ATOM 101 O ALA A 9 6.321 -3.742 -1.696 1.00 1.00 O ATOM 102 CB ALA A 9 8.829 -3.181 0.479 1.00 1.00 C ATOM 0 H ALA A 9 9.908 -5.347 0.073 1.00 1.00 H new ATOM 0 HA ALA A 9 7.239 -4.634 0.482 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.154 -2.331 0.585 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.198 -3.477 1.461 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.670 -2.899 -0.154 1.00 1.00 H new ATOM 108 N ILE A 10 8.405 -3.899 -2.512 1.00 1.00 N ATOM 109 CA ILE A 10 8.005 -3.551 -3.870 1.00 1.00 C ATOM 110 C ILE A 10 7.064 -4.623 -4.424 1.00 1.00 C ATOM 111 O ILE A 10 6.106 -4.339 -5.132 1.00 1.00 O ATOM 112 CB ILE A 10 9.227 -3.387 -4.775 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.033 -2.160 -4.335 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.766 -3.189 -6.223 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.385 -2.160 -5.052 1.00 1.00 C ATOM 0 H ILE A 10 9.402 -4.081 -2.397 1.00 1.00 H new ATOM 0 HA ILE A 10 7.479 -2.597 -3.844 1.00 1.00 H new ATOM 0 HB ILE A 10 9.849 -4.279 -4.703 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.485 -1.247 -4.568 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.181 -2.176 -3.255 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.636 -3.072 -6.869 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.190 -4.057 -6.543 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.143 -2.297 -6.288 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.961 -1.289 -4.742 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.933 -3.067 -4.796 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.225 -2.124 -6.130 1.00 1.00 H new ATOM 127 N ASP A 11 7.371 -5.866 -4.154 1.00 1.00 N ATOM 128 CA ASP A 11 6.542 -6.937 -4.665 1.00 1.00 C ATOM 129 C ASP A 11 5.105 -6.814 -4.152 1.00 1.00 C ATOM 130 O ASP A 11 4.142 -6.926 -4.922 1.00 1.00 O ATOM 131 CB ASP A 11 7.126 -8.264 -4.223 1.00 1.00 C ATOM 132 CG ASP A 11 6.542 -9.407 -5.046 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.645 -9.149 -5.835 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.999 -10.520 -4.875 1.00 1.00 O ATOM 0 H ASP A 11 8.171 -6.162 -3.595 1.00 1.00 H new ATOM 0 HA ASP A 11 6.521 -6.876 -5.753 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.210 -8.246 -4.334 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.916 -8.426 -3.166 1.00 1.00 H new ATOM 139 N LEU A 12 4.965 -6.594 -2.848 1.00 1.00 N ATOM 140 CA LEU A 12 3.650 -6.483 -2.227 1.00 1.00 C ATOM 141 C LEU A 12 2.881 -5.289 -2.770 1.00 1.00 C ATOM 142 O LEU A 12 1.690 -5.387 -3.064 1.00 1.00 O ATOM 143 CB LEU A 12 3.817 -6.307 -0.713 1.00 1.00 C ATOM 144 CG LEU A 12 4.488 -7.548 -0.105 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.020 -7.206 1.287 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.495 -8.716 -0.002 1.00 1.00 C ATOM 0 H LEU A 12 5.747 -6.489 -2.201 1.00 1.00 H new ATOM 0 HA LEU A 12 3.093 -7.392 -2.453 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.418 -5.422 -0.507 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.844 -6.147 -0.249 1.00 1.00 H new ATOM 0 HG LEU A 12 5.309 -7.851 -0.755 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.497 -8.085 1.720 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.749 -6.399 1.210 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.194 -6.890 1.924 1.00 1.00 H new ATOM 0 HD21 LEU A 12 3.995 -9.582 0.432 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.657 -8.426 0.632 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.127 -8.970 -0.996 1.00 1.00 H new ATOM 158 N VAL A 13 3.558 -4.156 -2.901 1.00 1.00 N ATOM 159 CA VAL A 13 2.898 -2.958 -3.406 1.00 1.00 C ATOM 160 C VAL A 13 2.532 -3.128 -4.880 1.00 1.00 C ATOM 161 O VAL A 13 1.479 -2.672 -5.324 1.00 1.00 O ATOM 162 CB VAL A 13 3.806 -1.730 -3.214 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.849 -1.664 -4.319 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.979 -0.444 -3.242 1.00 1.00 C ATOM 0 H VAL A 13 4.545 -4.040 -2.670 1.00 1.00 H new ATOM 0 HA VAL A 13 1.979 -2.803 -2.841 1.00 1.00 H new ATOM 0 HB VAL A 13 4.301 -1.826 -2.247 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.483 -0.790 -4.169 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.462 -2.565 -4.295 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.351 -1.589 -5.286 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.637 0.414 -3.105 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.469 -0.360 -4.201 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.242 -0.468 -2.440 1.00 1.00 H new ATOM 174 N THR A 14 3.409 -3.788 -5.634 1.00 1.00 N ATOM 175 CA THR A 14 3.152 -3.997 -7.051 1.00 1.00 C ATOM 176 C THR A 14 1.827 -4.729 -7.223 1.00 1.00 C ATOM 177 O THR A 14 0.944 -4.298 -7.972 1.00 1.00 O ATOM 178 CB THR A 14 4.303 -4.816 -7.663 1.00 1.00 C ATOM 179 OG1 THR A 14 5.464 -3.999 -7.771 1.00 1.00 O ATOM 180 CG2 THR A 14 3.914 -5.333 -9.049 1.00 1.00 C ATOM 0 H THR A 14 4.287 -4.179 -5.293 1.00 1.00 H new ATOM 0 HA THR A 14 3.092 -3.037 -7.563 1.00 1.00 H new ATOM 0 HB THR A 14 4.510 -5.668 -7.015 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.903 -3.937 -6.897 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.739 -5.910 -9.467 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.032 -5.969 -8.966 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.693 -4.490 -9.703 1.00 1.00 H new ATOM 188 N LYS A 15 1.681 -5.821 -6.511 1.00 1.00 N ATOM 189 CA LYS A 15 0.445 -6.566 -6.594 1.00 1.00 C ATOM 190 C LYS A 15 -0.704 -5.698 -6.101 1.00 1.00 C ATOM 191 O LYS A 15 -1.782 -5.691 -6.679 1.00 1.00 O ATOM 192 CB LYS A 15 0.546 -7.845 -5.771 1.00 1.00 C ATOM 193 CG LYS A 15 -0.707 -8.715 -5.971 1.00 1.00 C ATOM 194 CD LYS A 15 -0.377 -10.170 -5.625 1.00 1.00 C ATOM 195 CE LYS A 15 0.341 -10.240 -4.272 1.00 1.00 C ATOM 196 NZ LYS A 15 0.181 -11.600 -3.697 1.00 1.00 N ATOM 0 H LYS A 15 2.384 -6.208 -5.881 1.00 1.00 H new ATOM 0 HA LYS A 15 0.258 -6.844 -7.631 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.435 -8.404 -6.064 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.659 -7.597 -4.716 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.518 -8.354 -5.339 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.051 -8.644 -7.003 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.293 -10.760 -5.591 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.252 -10.603 -6.402 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.399 -10.008 -4.397 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -0.070 -9.495 -3.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.668 -11.648 -2.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.830 -11.804 -3.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.593 -12.301 -4.345 1.00 1.00 H new ATOM 210 N ALA A 16 -0.475 -4.954 -5.036 1.00 1.00 N ATOM 211 CA ALA A 16 -1.521 -4.099 -4.503 1.00 1.00 C ATOM 212 C ALA A 16 -2.108 -3.219 -5.598 1.00 1.00 C ATOM 213 O ALA A 16 -3.325 -3.042 -5.686 1.00 1.00 O ATOM 214 CB ALA A 16 -0.939 -3.214 -3.404 1.00 1.00 C ATOM 0 H ALA A 16 0.410 -4.922 -4.529 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.313 -4.729 -4.098 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.722 -2.571 -3.002 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.538 -3.840 -2.607 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.140 -2.598 -3.818 1.00 1.00 H new ATOM 220 N THR A 17 -1.235 -2.666 -6.420 1.00 1.00 N ATOM 221 CA THR A 17 -1.680 -1.798 -7.490 1.00 1.00 C ATOM 222 C THR A 17 -2.487 -2.585 -8.511 1.00 1.00 C ATOM 223 O THR A 17 -3.508 -2.114 -9.001 1.00 1.00 O ATOM 224 CB THR A 17 -0.476 -1.133 -8.185 1.00 1.00 C ATOM 225 OG1 THR A 17 0.422 -2.132 -8.635 1.00 1.00 O ATOM 226 CG2 THR A 17 0.266 -0.205 -7.216 1.00 1.00 C ATOM 0 H THR A 17 -0.225 -2.801 -6.367 1.00 1.00 H new ATOM 0 HA THR A 17 -2.311 -1.022 -7.056 1.00 1.00 H new ATOM 0 HB THR A 17 -0.846 -0.548 -9.027 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.259 -2.964 -8.144 1.00 1.00 H new ATOM 0 HG21 THR A 17 1.112 0.254 -7.728 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.412 0.573 -6.867 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.626 -0.782 -6.364 1.00 1.00 H new ATOM 234 N GLU A 18 -2.056 -3.805 -8.804 1.00 1.00 N ATOM 235 CA GLU A 18 -2.786 -4.622 -9.764 1.00 1.00 C ATOM 236 C GLU A 18 -4.187 -4.944 -9.226 1.00 1.00 C ATOM 237 O GLU A 18 -5.173 -4.935 -9.964 1.00 1.00 O ATOM 238 CB GLU A 18 -1.978 -5.916 -10.070 1.00 1.00 C ATOM 239 CG GLU A 18 -2.548 -7.135 -9.325 1.00 1.00 C ATOM 240 CD GLU A 18 -1.669 -8.371 -9.545 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.455 -8.223 -9.556 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.222 -9.449 -9.692 1.00 1.00 O ATOM 0 H GLU A 18 -1.226 -4.242 -8.403 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.909 -4.071 -10.696 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.991 -6.107 -11.143 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.936 -5.770 -9.785 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.615 -6.916 -8.259 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.561 -7.338 -9.673 1.00 1.00 H new ATOM 249 N GLU A 19 -4.256 -5.241 -7.937 1.00 1.00 N ATOM 250 CA GLU A 19 -5.523 -5.575 -7.311 1.00 1.00 C ATOM 251 C GLU A 19 -6.452 -4.377 -7.342 1.00 1.00 C ATOM 252 O GLU A 19 -7.654 -4.505 -7.584 1.00 1.00 O ATOM 253 CB GLU A 19 -5.288 -6.032 -5.866 1.00 1.00 C ATOM 254 CG GLU A 19 -4.653 -7.433 -5.843 1.00 1.00 C ATOM 255 CD GLU A 19 -5.616 -8.471 -6.414 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.807 -8.204 -6.419 1.00 1.00 O ATOM 257 OE2 GLU A 19 -5.152 -9.519 -6.834 1.00 1.00 O ATOM 0 H GLU A 19 -3.453 -5.257 -7.308 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.989 -6.390 -7.865 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.637 -5.322 -5.355 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.233 -6.045 -5.324 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.730 -7.429 -6.422 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.387 -7.700 -4.820 1.00 1.00 H new ATOM 264 N ASP A 20 -5.887 -3.210 -7.109 1.00 1.00 N ATOM 265 CA ASP A 20 -6.671 -1.999 -7.129 1.00 1.00 C ATOM 266 C ASP A 20 -7.312 -1.825 -8.501 1.00 1.00 C ATOM 267 O ASP A 20 -8.471 -1.425 -8.609 1.00 1.00 O ATOM 268 CB ASP A 20 -5.779 -0.795 -6.816 1.00 1.00 C ATOM 269 CG ASP A 20 -6.639 0.429 -6.516 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.837 0.356 -6.729 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.085 1.426 -6.076 1.00 1.00 O ATOM 0 H ASP A 20 -4.896 -3.078 -6.906 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.453 -2.067 -6.373 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.140 -1.018 -5.962 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.122 -0.590 -7.661 1.00 1.00 H new ATOM 276 N LYS A 21 -6.551 -2.133 -9.548 1.00 1.00 N ATOM 277 CA LYS A 21 -7.068 -2.017 -10.900 1.00 1.00 C ATOM 278 C LYS A 21 -8.193 -3.023 -11.110 1.00 1.00 C ATOM 279 O LYS A 21 -9.198 -2.725 -11.760 1.00 1.00 O ATOM 280 CB LYS A 21 -5.956 -2.285 -11.920 1.00 1.00 C ATOM 281 CG LYS A 21 -4.850 -1.236 -11.750 1.00 1.00 C ATOM 282 CD LYS A 21 -3.630 -1.609 -12.610 1.00 1.00 C ATOM 283 CE LYS A 21 -2.360 -1.012 -12.010 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.269 -1.028 -13.020 1.00 1.00 N ATOM 0 H LYS A 21 -5.587 -2.460 -9.484 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.448 -1.005 -11.041 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.549 -3.286 -11.777 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.358 -2.246 -12.932 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.222 -0.254 -12.040 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.559 -1.170 -10.702 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.537 -2.693 -12.671 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -3.767 -1.243 -13.627 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.548 0.010 -11.681 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.061 -1.581 -11.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.407 -0.620 -12.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.082 -2.008 -13.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.554 -0.467 -13.848 1.00 1.00 H new ATOM 298 N ALA A 22 -8.004 -4.221 -10.560 1.00 1.00 N ATOM 299 CA ALA A 22 -8.999 -5.273 -10.690 1.00 1.00 C ATOM 300 C ALA A 22 -10.200 -4.985 -9.804 1.00 1.00 C ATOM 301 O ALA A 22 -11.060 -5.842 -9.623 1.00 1.00 O ATOM 302 CB ALA A 22 -8.392 -6.631 -10.320 1.00 1.00 C ATOM 0 H ALA A 22 -7.176 -4.482 -10.025 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.329 -5.304 -11.728 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.149 -7.408 -10.422 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.556 -6.849 -10.985 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.038 -6.603 -9.289 1.00 1.00 H new ATOM 308 N LYS A 23 -10.230 -3.777 -9.256 1.00 1.00 N ATOM 309 CA LYS A 23 -11.320 -3.356 -8.384 1.00 1.00 C ATOM 310 C LYS A 23 -11.320 -4.172 -7.102 1.00 1.00 C ATOM 311 O LYS A 23 -12.380 -4.432 -6.526 1.00 1.00 O ATOM 312 CB LYS A 23 -12.670 -3.513 -9.096 1.00 1.00 C ATOM 313 CG LYS A 23 -12.590 -2.870 -10.480 1.00 1.00 C ATOM 314 CD LYS A 23 -12.340 -1.363 -10.340 1.00 1.00 C ATOM 315 CE LYS A 23 -12.720 -0.659 -11.640 1.00 1.00 C ATOM 316 NZ LYS A 23 -14.200 -0.608 -11.760 1.00 1.00 N ATOM 0 H LYS A 23 -9.510 -3.069 -9.400 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.170 -2.305 -8.137 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.925 -4.569 -9.187 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.460 -3.044 -8.510 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.788 -3.329 -11.058 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.517 -3.045 -11.026 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -12.926 -0.962 -9.513 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.291 -1.178 -10.107 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.308 0.350 -11.654 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -12.293 -1.189 -12.492 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -14.470 0.171 -12.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -14.548 -1.508 -12.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -14.619 -0.451 -10.821 1.00 1.00 H new ATOM 330 N ASN A 24 -10.140 -4.577 -6.647 1.00 1.00 N ATOM 331 CA ASN A 24 -10.020 -5.361 -5.420 1.00 1.00 C ATOM 332 C ASN A 24 -9.510 -4.471 -4.281 1.00 1.00 C ATOM 333 O ASN A 24 -8.374 -4.599 -3.826 1.00 1.00 O ATOM 334 CB ASN A 24 -9.061 -6.551 -5.657 1.00 1.00 C ATOM 335 CG ASN A 24 -9.823 -7.874 -5.735 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.960 -7.918 -6.193 1.00 1.00 O ATOM 337 ND2 ASN A 24 -9.236 -8.960 -5.307 1.00 1.00 N ATOM 0 H ASN A 24 -9.252 -4.376 -7.108 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.998 -5.752 -5.139 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.506 -6.394 -6.582 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.330 -6.597 -4.850 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.723 -9.855 -5.352 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.290 -8.913 -4.928 1.00 1.00 H new ATOM 344 N TYR A 25 -10.350 -3.558 -3.833 1.00 1.00 N ATOM 345 CA TYR A 25 -9.973 -2.655 -2.762 1.00 1.00 C ATOM 346 C TYR A 25 -9.564 -3.443 -1.526 1.00 1.00 C ATOM 347 O TYR A 25 -8.571 -3.129 -0.900 1.00 1.00 O ATOM 348 CB TYR A 25 -11.140 -1.741 -2.410 1.00 1.00 C ATOM 349 CG TYR A 25 -11.830 -1.293 -3.680 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.080 -0.851 -4.783 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.230 -1.336 -3.759 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.730 -0.449 -5.953 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.880 -0.936 -4.934 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.130 -0.492 -6.031 1.00 1.00 C ATOM 355 OH TYR A 25 -13.760 -0.098 -7.190 1.00 1.00 O ATOM 0 H TYR A 25 -11.295 -3.422 -4.192 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.130 -2.053 -3.102 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.845 -2.266 -1.766 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.783 -0.875 -1.853 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.002 -0.822 -4.727 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.808 -1.678 -2.913 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.153 -0.105 -6.799 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.958 -0.970 -4.994 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.730 -0.189 -7.082 1.00 1.00 H new ATOM 365 N GLU A 26 -10.320 -4.471 -1.183 1.00 1.00 N ATOM 366 CA GLU A 26 -10.000 -5.264 0.001 1.00 1.00 C ATOM 367 C GLU A 26 -8.598 -5.874 -0.088 1.00 1.00 C ATOM 368 O GLU A 26 -7.771 -5.706 0.819 1.00 1.00 O ATOM 369 CB GLU A 26 -11.040 -6.378 0.151 1.00 1.00 C ATOM 370 CG GLU A 26 -12.250 -5.867 0.932 1.00 1.00 C ATOM 371 CD GLU A 26 -13.320 -6.959 1.006 1.00 1.00 C ATOM 372 OE1 GLU A 26 -13.050 -8.059 0.553 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.390 -6.679 1.513 1.00 1.00 O ATOM 0 H GLU A 26 -11.148 -4.777 -1.695 1.00 1.00 H new ATOM 0 HA GLU A 26 -10.019 -4.607 0.870 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.354 -6.728 -0.833 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.599 -7.231 0.667 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.948 -5.573 1.937 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.657 -4.979 0.449 1.00 1.00 H new ATOM 380 N GLU A 27 -8.328 -6.577 -1.174 1.00 1.00 N ATOM 381 CA GLU A 27 -7.025 -7.207 -1.348 1.00 1.00 C ATOM 382 C GLU A 27 -5.946 -6.144 -1.509 1.00 1.00 C ATOM 383 O GLU A 27 -4.891 -6.215 -0.885 1.00 1.00 O ATOM 384 CB GLU A 27 -7.055 -8.114 -2.590 1.00 1.00 C ATOM 385 CG GLU A 27 -6.029 -9.236 -2.452 1.00 1.00 C ATOM 386 CD GLU A 27 -6.526 -10.270 -1.452 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.659 -10.150 -1.017 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.768 -11.170 -1.139 1.00 1.00 O ATOM 0 H GLU A 27 -8.983 -6.727 -1.942 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.797 -7.807 -0.467 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -8.052 -8.537 -2.716 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.843 -7.526 -3.483 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.858 -9.706 -3.420 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.073 -8.828 -2.123 1.00 1.00 H new ATOM 395 N ALA A 28 -6.224 -5.148 -2.340 1.00 1.00 N ATOM 396 CA ALA A 28 -5.269 -4.081 -2.564 1.00 1.00 C ATOM 397 C ALA A 28 -4.903 -3.407 -1.254 1.00 1.00 C ATOM 398 O ALA A 28 -3.732 -3.131 -0.997 1.00 1.00 O ATOM 399 CB ALA A 28 -5.855 -3.048 -3.528 1.00 1.00 C ATOM 0 H ALA A 28 -7.095 -5.060 -2.863 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.368 -4.512 -3.000 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.131 -2.250 -3.691 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.086 -3.528 -4.479 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.767 -2.629 -3.102 1.00 1.00 H new ATOM 405 N LEU A 29 -5.899 -3.134 -0.425 1.00 1.00 N ATOM 406 CA LEU A 29 -5.664 -2.466 0.855 1.00 1.00 C ATOM 407 C LEU A 29 -4.755 -3.278 1.756 1.00 1.00 C ATOM 408 O LEU A 29 -3.797 -2.757 2.332 1.00 1.00 O ATOM 409 CB LEU A 29 -7.020 -2.279 1.549 1.00 1.00 C ATOM 410 CG LEU A 29 -7.017 -1.052 2.477 1.00 1.00 C ATOM 411 CD1 LEU A 29 -8.453 -0.616 2.809 1.00 1.00 C ATOM 412 CD2 LEU A 29 -6.253 -1.331 3.775 1.00 1.00 C ATOM 0 H LEU A 29 -6.876 -3.362 -0.611 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.176 -1.510 0.667 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.801 -2.166 0.798 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.260 -3.172 2.126 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.511 -0.247 1.945 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.427 0.253 3.466 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -8.977 -0.359 1.889 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -8.975 -1.433 3.308 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.271 -0.443 4.406 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -6.723 -2.161 4.303 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -5.220 -1.588 3.541 1.00 1.00 H new ATOM 424 N ARG A 30 -5.038 -4.562 1.868 1.00 1.00 N ATOM 425 CA ARG A 30 -4.235 -5.396 2.709 1.00 1.00 C ATOM 426 C ARG A 30 -2.790 -5.400 2.208 1.00 1.00 C ATOM 427 O ARG A 30 -1.844 -5.346 2.998 1.00 1.00 O ATOM 428 CB ARG A 30 -4.843 -6.801 2.723 1.00 1.00 C ATOM 429 CG ARG A 30 -3.818 -7.825 3.227 1.00 1.00 C ATOM 430 CD ARG A 30 -2.953 -8.385 2.075 1.00 1.00 C ATOM 431 NE ARG A 30 -2.963 -9.851 2.123 1.00 1.00 N ATOM 432 CZ ARG A 30 -2.843 -10.590 1.023 1.00 1.00 C ATOM 433 NH1 ARG A 30 -2.721 -10.010 -0.137 1.00 1.00 N ATOM 434 NH2 ARG A 30 -2.855 -11.890 1.103 1.00 1.00 N ATOM 0 H ARG A 30 -5.807 -5.034 1.392 1.00 1.00 H new ATOM 0 HA ARG A 30 -4.220 -5.016 3.730 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -5.725 -6.816 3.363 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -5.173 -7.071 1.720 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -3.174 -7.358 3.972 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -4.337 -8.645 3.724 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -3.338 -8.039 1.116 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -1.931 -8.015 2.160 1.00 1.00 H new ATOM 0 HE ARG A 30 -3.065 -10.317 3.025 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -2.718 -8.992 -0.200 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -2.629 -10.574 -0.982 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -2.957 -12.344 2.011 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -2.763 -12.454 0.258 1.00 1.00 H new ATOM 448 N LEU A 31 -2.626 -5.456 0.892 1.00 1.00 N ATOM 449 CA LEU A 31 -1.290 -5.461 0.308 1.00 1.00 C ATOM 450 C LEU A 31 -0.575 -4.140 0.576 1.00 1.00 C ATOM 451 O LEU A 31 0.625 -4.124 0.854 1.00 1.00 O ATOM 452 CB LEU A 31 -1.366 -5.705 -1.199 1.00 1.00 C ATOM 453 CG LEU A 31 -1.921 -7.108 -1.461 1.00 1.00 C ATOM 454 CD1 LEU A 31 -2.256 -7.246 -2.945 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.900 -8.184 -1.045 1.00 1.00 C ATOM 0 H LEU A 31 -3.389 -5.498 0.217 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.724 -6.268 0.774 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.004 -4.956 -1.668 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.376 -5.604 -1.645 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.824 -7.251 -0.867 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.652 -8.243 -3.137 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.002 -6.500 -3.221 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.354 -7.093 -3.537 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -1.314 -9.173 -1.240 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.018 -8.056 -1.619 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.680 -8.085 0.018 1.00 1.00 H new ATOM 467 N TYR A 32 -1.310 -3.039 0.477 1.00 1.00 N ATOM 468 CA TYR A 32 -0.722 -1.722 0.698 1.00 1.00 C ATOM 469 C TYR A 32 -0.142 -1.623 2.108 1.00 1.00 C ATOM 470 O TYR A 32 0.983 -1.156 2.299 1.00 1.00 O ATOM 471 CB TYR A 32 -1.786 -0.625 0.495 1.00 1.00 C ATOM 472 CG TYR A 32 -1.897 -0.257 -0.975 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.789 0.270 -1.648 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.104 -0.446 -1.664 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.888 0.604 -3.002 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.199 -0.113 -3.020 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.090 0.410 -3.686 1.00 1.00 C ATOM 478 OH TYR A 32 -2.180 0.732 -5.023 1.00 1.00 O ATOM 0 H TYR A 32 -2.304 -3.030 0.248 1.00 1.00 H new ATOM 0 HA TYR A 32 0.083 -1.580 -0.023 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.751 -0.974 0.863 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.523 0.258 1.078 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.142 0.419 -1.122 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.962 -0.849 -1.147 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.033 1.013 -3.520 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.129 -0.260 -3.550 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.084 0.535 -5.347 1.00 1.00 H new ATOM 488 N GLN A 33 -0.909 -2.063 3.091 1.00 1.00 N ATOM 489 CA GLN A 33 -0.451 -2.010 4.469 1.00 1.00 C ATOM 490 C GLN A 33 0.774 -2.898 4.668 1.00 1.00 C ATOM 491 O GLN A 33 1.735 -2.513 5.341 1.00 1.00 O ATOM 492 CB GLN A 33 -1.577 -2.465 5.400 1.00 1.00 C ATOM 493 CG GLN A 33 -2.690 -1.420 5.401 1.00 1.00 C ATOM 494 CD GLN A 33 -3.863 -1.910 6.246 1.00 1.00 C ATOM 495 OE1 GLN A 33 -4.961 -1.209 6.288 1.00 1.00 O flip ATOM 496 NE2 GLN A 33 -3.776 -2.962 6.881 1.00 1.00 N flip ATOM 0 H GLN A 33 -1.841 -2.457 2.964 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.172 -0.983 4.704 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.968 -3.428 5.072 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.194 -2.605 6.411 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.314 -0.477 5.797 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.021 -1.228 4.380 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -2.916 -3.509 6.847 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -4.564 -3.286 7.441 1.00 1.00 H new ATOM 505 N HIS A 34 0.740 -4.087 4.079 1.00 1.00 N ATOM 506 CA HIS A 34 1.858 -5.018 4.213 1.00 1.00 C ATOM 507 C HIS A 34 3.123 -4.443 3.569 1.00 1.00 C ATOM 508 O HIS A 34 4.192 -4.384 4.190 1.00 1.00 O ATOM 509 CB HIS A 34 1.487 -6.361 3.544 1.00 1.00 C ATOM 510 CG HIS A 34 0.861 -7.286 4.558 1.00 1.00 C ATOM 511 ND1 HIS A 34 -0.470 -7.672 4.491 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.373 -7.896 5.674 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.711 -8.478 5.541 1.00 1.00 C ATOM 514 NE2 HIS A 34 0.380 -8.648 6.294 1.00 1.00 N ATOM 0 H HIS A 34 -0.036 -4.428 3.512 1.00 1.00 H new ATOM 0 HA HIS A 34 2.059 -5.179 5.272 1.00 1.00 H new ATOM 0 HB2 HIS A 34 0.794 -6.188 2.721 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.378 -6.823 3.119 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.392 -7.806 6.019 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -1.669 -8.932 5.750 1.00 1.00 H new ATOM 0 HE2 HIS A 34 0.466 -9.209 7.142 1.00 1.00 H new ATOM 523 N ALA A 35 2.991 -4.019 2.326 1.00 1.00 N ATOM 524 CA ALA A 35 4.121 -3.469 1.602 1.00 1.00 C ATOM 525 C ALA A 35 4.747 -2.318 2.373 1.00 1.00 C ATOM 526 O ALA A 35 5.970 -2.236 2.499 1.00 1.00 O ATOM 527 CB ALA A 35 3.670 -2.991 0.221 1.00 1.00 C ATOM 0 H ALA A 35 2.118 -4.045 1.799 1.00 1.00 H new ATOM 0 HA ALA A 35 4.871 -4.251 1.485 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.523 -2.579 -0.318 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.259 -3.831 -0.338 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.906 -2.222 0.334 1.00 1.00 H new ATOM 533 N VAL A 36 3.905 -1.438 2.892 1.00 1.00 N ATOM 534 CA VAL A 36 4.397 -0.299 3.647 1.00 1.00 C ATOM 535 C VAL A 36 5.223 -0.777 4.833 1.00 1.00 C ATOM 536 O VAL A 36 6.292 -0.236 5.114 1.00 1.00 O ATOM 537 CB VAL A 36 3.221 0.570 4.128 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.714 1.533 5.222 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.640 1.361 2.933 1.00 1.00 C ATOM 0 H VAL A 36 2.890 -1.490 2.806 1.00 1.00 H new ATOM 0 HA VAL A 36 5.032 0.306 2.999 1.00 1.00 H new ATOM 0 HB VAL A 36 2.437 -0.064 4.542 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.883 2.150 5.565 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.110 0.959 6.060 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.498 2.173 4.817 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.807 1.976 3.274 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.414 2.001 2.509 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.288 0.664 2.172 1.00 1.00 H new ATOM 549 N GLU A 37 4.729 -1.792 5.521 1.00 1.00 N ATOM 550 CA GLU A 37 5.449 -2.323 6.670 1.00 1.00 C ATOM 551 C GLU A 37 6.879 -2.691 6.285 1.00 1.00 C ATOM 552 O GLU A 37 7.831 -2.312 6.966 1.00 1.00 O ATOM 553 CB GLU A 37 4.732 -3.569 7.199 1.00 1.00 C ATOM 554 CG GLU A 37 5.076 -3.786 8.675 1.00 1.00 C ATOM 555 CD GLU A 37 6.566 -4.077 8.820 1.00 1.00 C ATOM 556 OE1 GLU A 37 7.062 -4.895 8.065 1.00 1.00 O ATOM 557 OE2 GLU A 37 7.186 -3.479 9.683 1.00 1.00 O ATOM 0 H GLU A 37 3.847 -2.260 5.311 1.00 1.00 H new ATOM 0 HA GLU A 37 5.477 -1.556 7.444 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.654 -3.456 7.081 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.026 -4.442 6.617 1.00 1.00 H new ATOM 0 HG2 GLU A 37 4.811 -2.901 9.254 1.00 1.00 H new ATOM 0 HG3 GLU A 37 4.493 -4.615 9.076 1.00 1.00 H new ATOM 564 N TYR A 38 7.018 -3.437 5.198 1.00 1.00 N ATOM 565 CA TYR A 38 8.342 -3.851 4.752 1.00 1.00 C ATOM 566 C TYR A 38 9.198 -2.639 4.389 1.00 1.00 C ATOM 567 O TYR A 38 10.397 -2.606 4.667 1.00 1.00 O ATOM 568 CB TYR A 38 8.237 -4.798 3.544 1.00 1.00 C ATOM 569 CG TYR A 38 7.926 -6.199 4.014 1.00 1.00 C ATOM 570 CD1 TYR A 38 8.971 -7.054 4.371 1.00 1.00 C ATOM 571 CD2 TYR A 38 6.603 -6.638 4.098 1.00 1.00 C ATOM 572 CE1 TYR A 38 8.695 -8.348 4.817 1.00 1.00 C ATOM 573 CE2 TYR A 38 6.322 -7.933 4.543 1.00 1.00 C ATOM 574 CZ TYR A 38 7.369 -8.790 4.905 1.00 1.00 C ATOM 575 OH TYR A 38 7.093 -10.060 5.346 1.00 1.00 O ATOM 0 H TYR A 38 6.246 -3.764 4.617 1.00 1.00 H new ATOM 0 HA TYR A 38 8.820 -4.382 5.575 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.457 -4.451 2.866 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.172 -4.792 2.984 1.00 1.00 H new ATOM 0 HD1 TYR A 38 9.994 -6.714 4.302 1.00 1.00 H new ATOM 0 HD2 TYR A 38 5.796 -5.976 3.819 1.00 1.00 H new ATOM 0 HE1 TYR A 38 9.504 -9.008 5.094 1.00 1.00 H new ATOM 0 HE2 TYR A 38 5.299 -8.272 4.608 1.00 1.00 H new ATOM 0 HH TYR A 38 6.123 -10.203 5.347 1.00 1.00 H new ATOM 585 N PHE A 39 8.582 -1.647 3.765 1.00 1.00 N ATOM 586 CA PHE A 39 9.308 -0.448 3.367 1.00 1.00 C ATOM 587 C PHE A 39 9.900 0.259 4.593 1.00 1.00 C ATOM 588 O PHE A 39 11.093 0.608 4.631 1.00 1.00 O ATOM 589 CB PHE A 39 8.336 0.496 2.626 1.00 1.00 C ATOM 590 CG PHE A 39 8.297 0.165 1.145 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.455 0.309 0.380 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.111 -0.277 0.536 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.436 0.009 -0.985 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.095 -0.575 -0.834 1.00 1.00 C ATOM 595 CZ PHE A 39 8.260 -0.432 -1.592 1.00 1.00 C ATOM 0 H PHE A 39 7.591 -1.646 3.524 1.00 1.00 H new ATOM 0 HA PHE A 39 10.132 -0.725 2.709 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.337 0.405 3.051 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.648 1.531 2.765 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.368 0.653 0.844 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.211 -0.387 1.123 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.336 0.119 -1.572 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.183 -0.915 -1.303 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.250 -0.663 -2.647 1.00 1.00 H new ATOM 605 N LEU A 40 9.063 0.458 5.594 1.00 1.00 N ATOM 606 CA LEU A 40 9.491 1.111 6.805 1.00 1.00 C ATOM 607 C LEU A 40 10.564 0.283 7.477 1.00 1.00 C ATOM 608 O LEU A 40 11.569 0.802 7.933 1.00 1.00 O ATOM 609 CB LEU A 40 8.300 1.278 7.753 1.00 1.00 C ATOM 610 CG LEU A 40 7.282 2.266 7.154 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.958 2.143 7.912 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.789 3.718 7.260 1.00 1.00 C ATOM 0 H LEU A 40 8.083 0.175 5.587 1.00 1.00 H new ATOM 0 HA LEU A 40 9.894 2.094 6.559 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.824 0.313 7.925 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.644 1.641 8.722 1.00 1.00 H new ATOM 0 HG LEU A 40 7.144 2.023 6.100 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.233 2.840 7.493 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.579 1.125 7.819 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.118 2.376 8.965 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.050 4.394 6.829 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.946 3.973 8.308 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.729 3.816 6.718 1.00 1.00 H new ATOM 624 N HIS A 41 10.386 -1.024 7.480 1.00 1.00 N ATOM 625 CA HIS A 41 11.374 -1.894 8.088 1.00 1.00 C ATOM 626 C HIS A 41 12.715 -1.779 7.364 1.00 1.00 C ATOM 627 O HIS A 41 13.771 -1.915 7.970 1.00 1.00 O ATOM 628 CB HIS A 41 10.884 -3.342 8.049 1.00 1.00 C ATOM 629 CG HIS A 41 11.675 -4.176 9.024 1.00 1.00 C ATOM 630 ND1 HIS A 41 11.281 -4.346 10.344 1.00 1.00 N ATOM 631 CD2 HIS A 41 12.835 -4.895 8.885 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.192 -5.139 10.941 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.160 -5.501 10.096 1.00 1.00 N ATOM 0 H HIS A 41 9.580 -1.501 7.075 1.00 1.00 H new ATOM 0 HA HIS A 41 11.514 -1.587 9.125 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.824 -3.383 8.298 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.991 -3.745 7.042 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.409 -4.978 7.974 1.00 1.00 H new ATOM 0 HE1 HIS A 41 12.145 -5.444 11.976 1.00 1.00 H new ATOM 0 HE2 HIS A 41 13.965 -6.094 10.295 1.00 1.00 H new ATOM 642 N ALA A 42 12.678 -1.542 6.066 1.00 1.00 N ATOM 643 CA ALA A 42 13.914 -1.442 5.301 1.00 1.00 C ATOM 644 C ALA A 42 14.743 -0.218 5.683 1.00 1.00 C ATOM 645 O ALA A 42 15.941 -0.304 5.937 1.00 1.00 O ATOM 646 CB ALA A 42 13.593 -1.356 3.820 1.00 1.00 C ATOM 0 H ALA A 42 11.823 -1.417 5.524 1.00 1.00 H new ATOM 0 HA ALA A 42 14.498 -2.334 5.528 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.519 -1.281 3.251 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.049 -2.250 3.513 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.979 -0.475 3.631 1.00 1.00 H new ATOM 652 N ILE A 43 14.106 0.923 5.769 1.00 1.00 N ATOM 653 CA ILE A 43 14.840 2.129 6.130 1.00 1.00 C ATOM 654 C ILE A 43 15.441 2.018 7.534 1.00 1.00 C ATOM 655 O ILE A 43 16.528 2.530 7.784 1.00 1.00 O ATOM 656 CB ILE A 43 13.917 3.343 6.052 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.587 3.001 6.720 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.667 3.699 4.591 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.655 4.208 6.685 1.00 1.00 C ATOM 0 H ILE A 43 13.108 1.051 5.601 1.00 1.00 H new ATOM 0 HA ILE A 43 15.660 2.249 5.422 1.00 1.00 H new ATOM 0 HB ILE A 43 14.381 4.189 6.558 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.121 2.158 6.210 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.758 2.694 7.752 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.008 4.566 4.535 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.615 3.932 4.106 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.199 2.854 4.086 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.710 3.952 7.164 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.117 5.040 7.216 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.471 4.496 5.650 1.00 1.00 H new ATOM 671 N LYS A 44 14.742 1.338 8.448 1.00 1.00 N ATOM 672 CA LYS A 44 15.265 1.183 9.827 1.00 1.00 C ATOM 673 C LYS A 44 16.239 0.028 9.970 1.00 1.00 C ATOM 674 O LYS A 44 17.273 0.152 10.621 1.00 1.00 O ATOM 675 CB LYS A 44 14.134 0.940 10.818 1.00 1.00 C ATOM 676 CG LYS A 44 12.940 1.718 10.344 1.00 1.00 C ATOM 677 CD LYS A 44 11.820 1.708 11.384 1.00 1.00 C ATOM 678 CE LYS A 44 10.984 0.432 11.257 1.00 1.00 C ATOM 679 NZ LYS A 44 10.206 0.231 12.512 1.00 1.00 N ATOM 0 H LYS A 44 13.839 0.895 8.276 1.00 1.00 H new ATOM 0 HA LYS A 44 15.784 2.118 10.039 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.899 -0.123 10.878 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.426 1.259 11.818 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.234 2.746 10.133 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.574 1.293 9.409 1.00 1.00 H new ATOM 0 HD2 LYS A 44 12.245 1.774 12.386 1.00 1.00 H new ATOM 0 HD3 LYS A 44 11.183 2.582 11.250 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.309 0.508 10.404 1.00 1.00 H new ATOM 0 HE3 LYS A 44 11.632 -0.425 11.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.636 -0.635 12.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.860 0.142 13.315 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 9.578 1.046 12.666 1.00 1.00 H new ATOM 802 N ALA A 52 17.069 7.985 -1.048 1.00 1.00 N ATOM 803 CA ALA A 52 16.401 6.705 -0.985 1.00 1.00 C ATOM 804 C ALA A 52 15.455 6.677 0.209 1.00 1.00 C ATOM 805 O ALA A 52 14.290 6.339 0.064 1.00 1.00 O ATOM 806 CB ALA A 52 17.424 5.575 -0.862 1.00 1.00 C ATOM 0 HA ALA A 52 15.830 6.561 -1.903 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.905 4.618 -0.816 1.00 1.00 H new ATOM 0 HB2 ALA A 52 18.086 5.587 -1.728 1.00 1.00 H new ATOM 0 HB3 ALA A 52 18.012 5.713 0.046 1.00 1.00 H new ATOM 812 N LYS A 53 15.959 7.060 1.377 1.00 1.00 N ATOM 813 CA LYS A 53 15.134 7.075 2.578 1.00 1.00 C ATOM 814 C LYS A 53 13.916 7.971 2.382 1.00 1.00 C ATOM 815 O LYS A 53 12.787 7.576 2.681 1.00 1.00 O ATOM 816 CB LYS A 53 15.973 7.575 3.781 1.00 1.00 C ATOM 817 CG LYS A 53 16.325 6.410 4.721 1.00 1.00 C ATOM 818 CD LYS A 53 17.361 5.474 4.064 1.00 1.00 C ATOM 819 CE LYS A 53 18.748 5.731 4.648 1.00 1.00 C ATOM 820 NZ LYS A 53 19.082 7.174 4.493 1.00 1.00 N ATOM 0 H LYS A 53 16.924 7.361 1.517 1.00 1.00 H new ATOM 0 HA LYS A 53 14.786 6.061 2.777 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.887 8.048 3.422 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.415 8.335 4.329 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.722 6.800 5.658 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.423 5.848 4.966 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.077 4.434 4.226 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.376 5.636 2.986 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.770 5.451 5.701 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.490 5.116 4.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 20.095 7.318 4.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.863 7.479 3.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 18.522 7.734 5.166 1.00 1.00 H new ATOM 834 N GLU A 54 14.148 9.162 1.874 1.00 1.00 N ATOM 835 CA GLU A 54 13.059 10.083 1.642 1.00 1.00 C ATOM 836 C GLU A 54 12.068 9.481 0.666 1.00 1.00 C ATOM 837 O GLU A 54 10.863 9.709 0.772 1.00 1.00 O ATOM 838 CB GLU A 54 13.608 11.404 1.101 1.00 1.00 C ATOM 839 CG GLU A 54 14.171 12.234 2.252 1.00 1.00 C ATOM 840 CD GLU A 54 14.822 13.504 1.713 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.764 13.711 0.511 1.00 1.00 O ATOM 842 OE2 GLU A 54 15.371 14.249 2.507 1.00 1.00 O ATOM 0 H GLU A 54 15.071 9.512 1.616 1.00 1.00 H new ATOM 0 HA GLU A 54 12.543 10.275 2.583 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.387 11.211 0.363 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.818 11.957 0.593 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.373 12.492 2.948 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.903 11.649 2.809 1.00 1.00 H new ATOM 849 N SER A 55 12.574 8.705 -0.272 1.00 1.00 N ATOM 850 CA SER A 55 11.705 8.076 -1.245 1.00 1.00 C ATOM 851 C SER A 55 10.756 7.098 -0.561 1.00 1.00 C ATOM 852 O SER A 55 9.576 7.022 -0.904 1.00 1.00 O ATOM 853 CB SER A 55 12.532 7.334 -2.302 1.00 1.00 C ATOM 854 OG SER A 55 11.666 6.781 -3.282 1.00 1.00 O ATOM 0 H SER A 55 13.567 8.497 -0.381 1.00 1.00 H new ATOM 0 HA SER A 55 11.121 8.857 -1.732 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.239 8.018 -2.771 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.117 6.544 -1.832 1.00 1.00 H new ATOM 0 HG SER A 55 12.196 6.309 -3.958 1.00 1.00 H new ATOM 860 N ILE A 56 11.282 6.328 0.390 1.00 1.00 N ATOM 861 CA ILE A 56 10.465 5.338 1.079 1.00 1.00 C ATOM 862 C ILE A 56 9.417 6.023 1.952 1.00 1.00 C ATOM 863 O ILE A 56 8.254 5.640 1.967 1.00 1.00 O ATOM 864 CB ILE A 56 11.348 4.456 1.968 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.587 3.992 1.203 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.565 3.224 2.414 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.204 3.477 -0.177 1.00 1.00 C ATOM 0 H ILE A 56 12.254 6.370 0.695 1.00 1.00 H new ATOM 0 HA ILE A 56 9.966 4.726 0.327 1.00 1.00 H new ATOM 0 HB ILE A 56 11.654 5.044 2.834 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.291 4.818 1.106 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.093 3.206 1.763 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.197 2.600 3.046 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.685 3.536 2.977 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.253 2.655 1.538 1.00 1.00 H new ATOM 0 HD11 ILE A 56 13.100 3.152 -0.705 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.518 2.636 -0.074 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.719 4.274 -0.741 1.00 1.00 H new ATOM 879 N ARG A 57 9.855 7.032 2.702 1.00 1.00 N ATOM 880 CA ARG A 57 8.949 7.747 3.587 1.00 1.00 C ATOM 881 C ARG A 57 7.821 8.383 2.781 1.00 1.00 C ATOM 882 O ARG A 57 6.643 8.119 3.022 1.00 1.00 O ATOM 883 CB ARG A 57 9.708 8.831 4.346 1.00 1.00 C ATOM 884 CG ARG A 57 10.762 8.181 5.240 1.00 1.00 C ATOM 885 CD ARG A 57 11.467 9.259 6.068 1.00 1.00 C ATOM 886 NE ARG A 57 12.518 8.664 6.885 1.00 1.00 N ATOM 887 CZ ARG A 57 13.283 9.413 7.673 1.00 1.00 C ATOM 888 NH1 ARG A 57 13.096 10.703 7.730 1.00 1.00 N ATOM 889 NH2 ARG A 57 14.222 8.858 8.389 1.00 1.00 N ATOM 0 H ARG A 57 10.818 7.367 2.713 1.00 1.00 H new ATOM 0 HA ARG A 57 8.525 7.039 4.299 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.183 9.517 3.644 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.017 9.420 4.949 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.294 7.450 5.899 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.488 7.643 4.631 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.894 10.013 5.407 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.744 9.767 6.707 1.00 1.00 H new ATOM 0 HE ARG A 57 12.669 7.656 6.851 1.00 1.00 H new ATOM 0 HH11 ARG A 57 12.363 11.137 7.170 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.683 11.277 8.335 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.369 7.850 8.344 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.809 9.432 8.994 1.00 1.00 H new ATOM 903 N ALA A 58 8.182 9.233 1.825 1.00 1.00 N ATOM 904 CA ALA A 58 7.184 9.902 1.002 1.00 1.00 C ATOM 905 C ALA A 58 6.237 8.884 0.375 1.00 1.00 C ATOM 906 O ALA A 58 5.013 9.008 0.461 1.00 1.00 O ATOM 907 CB ALA A 58 7.890 10.708 -0.097 1.00 1.00 C ATOM 0 H ALA A 58 9.148 9.472 1.603 1.00 1.00 H new ATOM 0 HA ALA A 58 6.598 10.574 1.630 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.146 11.210 -0.715 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.544 11.451 0.360 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.483 10.036 -0.717 1.00 1.00 H new ATOM 913 N LYS A 59 6.810 7.871 -0.249 1.00 1.00 N ATOM 914 CA LYS A 59 6.009 6.842 -0.890 1.00 1.00 C ATOM 915 C LYS A 59 5.153 6.107 0.128 1.00 1.00 C ATOM 916 O LYS A 59 3.977 5.827 -0.113 1.00 1.00 O ATOM 917 CB LYS A 59 6.935 5.875 -1.620 1.00 1.00 C ATOM 918 CG LYS A 59 7.574 6.580 -2.838 1.00 1.00 C ATOM 919 CD LYS A 59 6.570 6.801 -3.994 1.00 1.00 C ATOM 920 CE LYS A 59 5.928 5.476 -4.407 1.00 1.00 C ATOM 921 NZ LYS A 59 6.929 4.384 -4.252 1.00 1.00 N ATOM 0 H LYS A 59 7.818 7.738 -0.326 1.00 1.00 H new ATOM 0 HA LYS A 59 5.333 7.307 -1.608 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.713 5.522 -0.943 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.375 4.999 -1.948 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.979 7.542 -2.525 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.412 5.984 -3.199 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.798 7.505 -3.683 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.081 7.246 -4.848 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.052 5.274 -3.791 1.00 1.00 H new ATOM 0 HE3 LYS A 59 5.586 5.529 -5.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 6.462 3.464 -4.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.678 4.496 -4.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 7.346 4.428 -3.301 1.00 1.00 H new ATOM 935 N CYS A 60 5.750 5.794 1.259 1.00 1.00 N ATOM 936 CA CYS A 60 5.040 5.092 2.310 1.00 1.00 C ATOM 937 C CYS A 60 3.750 5.837 2.629 1.00 1.00 C ATOM 938 O CYS A 60 2.705 5.223 2.849 1.00 1.00 O ATOM 939 CB CYS A 60 5.931 4.987 3.557 1.00 1.00 C ATOM 940 SG CYS A 60 6.972 3.511 3.432 1.00 1.00 S ATOM 0 H CYS A 60 6.722 6.013 1.475 1.00 1.00 H new ATOM 0 HA CYS A 60 4.791 4.083 1.980 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.553 5.877 3.649 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.314 4.935 4.454 1.00 1.00 H new ATOM 0 HG CYS A 60 7.841 3.672 2.479 1.00 1.00 H new ATOM 946 N VAL A 61 3.828 7.161 2.641 1.00 1.00 N ATOM 947 CA VAL A 61 2.652 7.967 2.913 1.00 1.00 C ATOM 948 C VAL A 61 1.626 7.775 1.805 1.00 1.00 C ATOM 949 O VAL A 61 0.444 7.569 2.072 1.00 1.00 O ATOM 950 CB VAL A 61 3.033 9.442 3.012 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.779 10.285 3.262 1.00 1.00 C ATOM 952 CG2 VAL A 61 4.020 9.638 4.163 1.00 1.00 C ATOM 0 H VAL A 61 4.682 7.691 2.468 1.00 1.00 H new ATOM 0 HA VAL A 61 2.221 7.649 3.862 1.00 1.00 H new ATOM 0 HB VAL A 61 3.497 9.758 2.078 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.056 11.337 3.332 1.00 1.00 H new ATOM 0 HG12 VAL A 61 1.078 10.148 2.438 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.309 9.971 4.194 1.00 1.00 H new ATOM 0 HG21 VAL A 61 4.292 10.691 4.234 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.558 9.319 5.097 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.915 9.044 3.980 1.00 1.00 H new ATOM 962 N GLN A 62 2.081 7.862 0.558 1.00 1.00 N ATOM 963 CA GLN A 62 1.178 7.705 -0.578 1.00 1.00 C ATOM 964 C GLN A 62 0.449 6.369 -0.498 1.00 1.00 C ATOM 965 O GLN A 62 -0.770 6.299 -0.679 1.00 1.00 O ATOM 966 CB GLN A 62 1.975 7.774 -1.883 1.00 1.00 C ATOM 967 CG GLN A 62 2.681 9.128 -1.969 1.00 1.00 C ATOM 968 CD GLN A 62 3.536 9.197 -3.230 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.079 8.834 -4.314 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.760 9.643 -3.148 1.00 1.00 N ATOM 0 H GLN A 62 3.055 8.038 0.310 1.00 1.00 H new ATOM 0 HA GLN A 62 0.443 8.510 -0.554 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.706 6.966 -1.920 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.310 7.642 -2.737 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.944 9.931 -1.976 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.306 9.277 -1.088 1.00 1.00 H new ATOM 0 HE21 GLN A 62 5.134 9.943 -2.248 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.342 9.692 -3.984 1.00 1.00 H new ATOM 979 N TYR A 63 1.199 5.309 -0.225 1.00 1.00 N ATOM 980 CA TYR A 63 0.608 3.982 -0.129 1.00 1.00 C ATOM 981 C TYR A 63 -0.388 3.921 1.021 1.00 1.00 C ATOM 982 O TYR A 63 -1.522 3.475 0.848 1.00 1.00 O ATOM 983 CB TYR A 63 1.706 2.926 0.077 1.00 1.00 C ATOM 984 CG TYR A 63 2.642 2.868 -1.123 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.130 2.819 -2.423 1.00 1.00 C ATOM 986 CD2 TYR A 63 4.032 2.867 -0.932 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.991 2.778 -3.523 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.893 2.827 -2.035 1.00 1.00 C ATOM 989 CZ TYR A 63 4.369 2.789 -3.329 1.00 1.00 C ATOM 990 OH TYR A 63 5.209 2.750 -4.418 1.00 1.00 O ATOM 0 H TYR A 63 2.206 5.341 -0.068 1.00 1.00 H new ATOM 0 HA TYR A 63 0.081 3.773 -1.060 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.276 3.160 0.976 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.250 1.949 0.234 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.061 2.813 -2.578 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.439 2.897 0.068 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.587 2.738 -4.524 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.963 2.826 -1.885 1.00 1.00 H new ATOM 0 HH TYR A 63 4.800 3.237 -5.164 1.00 1.00 H new ATOM 1000 N LEU A 64 0.035 4.361 2.191 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.854 4.325 3.337 1.00 1.00 C ATOM 1002 C LEU A 64 -2.089 5.171 3.077 1.00 1.00 C ATOM 1003 O LEU A 64 -3.207 4.721 3.307 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.118 4.838 4.580 1.00 1.00 C ATOM 1005 CG LEU A 64 0.535 3.688 5.353 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.614 4.260 6.285 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.509 2.938 6.196 1.00 1.00 C ATOM 0 H LEU A 64 0.965 4.739 2.372 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.169 3.295 3.506 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.644 5.558 4.283 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.818 5.364 5.229 1.00 1.00 H new ATOM 0 HG LEU A 64 0.977 2.992 4.640 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.084 3.448 6.839 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.368 4.779 5.693 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.157 4.960 6.985 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.024 2.125 6.737 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.965 3.626 6.908 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.279 2.530 5.542 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.903 6.385 2.593 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.036 7.248 2.339 1.00 1.00 C ATOM 1021 C ASP A 65 -4.056 6.528 1.479 1.00 1.00 C ATOM 1022 O ASP A 65 -5.254 6.561 1.761 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.544 8.501 1.621 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.700 9.456 1.363 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.829 9.076 1.627 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.438 10.555 0.906 1.00 1.00 O ATOM 0 H ASP A 65 -0.993 6.789 2.372 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.509 7.522 3.282 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.782 8.997 2.223 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.075 8.225 0.677 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.583 5.864 0.440 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.491 5.140 -0.425 1.00 1.00 C ATOM 1033 C ARG A 66 -5.222 4.080 0.383 1.00 1.00 C ATOM 1034 O ARG A 66 -6.432 3.891 0.246 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.702 4.496 -1.562 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.209 5.581 -2.536 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.337 6.043 -3.466 1.00 1.00 C ATOM 1038 NE ARG A 66 -4.976 4.890 -4.080 1.00 1.00 N ATOM 1039 CZ ARG A 66 -5.997 5.032 -4.912 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.443 6.225 -5.190 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.551 3.981 -5.449 1.00 1.00 N ATOM 0 H ARG A 66 -2.598 5.812 0.180 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.225 5.825 -0.850 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.853 3.943 -1.160 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.329 3.778 -2.091 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.826 6.432 -1.973 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.381 5.193 -3.129 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.071 6.620 -2.903 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -3.938 6.702 -4.237 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.631 3.954 -3.866 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.006 7.044 -4.767 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.229 6.339 -5.830 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.198 3.050 -5.228 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.337 4.090 -6.090 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.481 3.373 1.211 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.084 2.328 2.020 1.00 1.00 C ATOM 1057 C ALA A 67 -6.118 2.912 2.983 1.00 1.00 C ATOM 1058 O ALA A 67 -7.145 2.293 3.263 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.010 1.570 2.802 1.00 1.00 C ATOM 0 H ALA A 67 -3.477 3.497 1.343 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.590 1.633 1.350 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.479 0.791 3.403 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.305 1.116 2.106 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.479 2.262 3.456 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.845 4.106 3.489 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.753 4.761 4.422 1.00 1.00 C ATOM 1067 C GLU A 68 -8.082 5.090 3.761 1.00 1.00 C ATOM 1068 O GLU A 68 -9.141 4.703 4.251 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.112 6.056 4.912 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.928 5.739 5.818 1.00 1.00 C ATOM 1071 CD GLU A 68 -5.416 5.132 7.125 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -6.570 5.345 7.459 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -4.628 4.466 7.774 1.00 1.00 O ATOM 0 H GLU A 68 -5.004 4.641 3.270 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.939 4.082 5.254 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.781 6.652 4.062 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.846 6.653 5.454 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.252 5.046 5.317 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.361 6.648 6.020 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.031 5.807 2.649 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.260 6.170 1.969 1.00 1.00 C ATOM 1082 C LYS A 69 -10.000 4.911 1.525 1.00 1.00 C ATOM 1083 O LYS A 69 -11.230 4.873 1.513 1.00 1.00 O ATOM 1084 CB LYS A 69 -8.957 7.063 0.759 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.101 6.292 -0.225 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.742 7.172 -1.427 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.012 7.664 -2.134 1.00 1.00 C ATOM 1088 NZ LYS A 69 -8.691 8.021 -3.543 1.00 1.00 N ATOM 0 H LYS A 69 -7.174 6.141 2.208 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.893 6.727 2.660 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -9.885 7.379 0.283 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.440 7.967 1.079 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.191 5.948 0.267 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.635 5.404 -0.563 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.150 8.025 -1.096 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.125 6.608 -2.126 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.778 6.889 -2.110 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.419 8.530 -1.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -9.483 8.555 -3.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -7.831 8.605 -3.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -8.535 7.153 -4.094 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.240 3.882 1.144 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.843 2.637 0.682 1.00 1.00 C ATOM 1104 C LEU A 70 -10.710 2.048 1.770 1.00 1.00 C ATOM 1105 O LEU A 70 -11.870 1.696 1.541 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.740 1.638 0.270 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.243 1.970 -1.153 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.879 1.301 -1.398 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.260 1.475 -2.215 1.00 1.00 C ATOM 0 H LEU A 70 -8.220 3.888 1.147 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.468 2.844 -0.187 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.911 1.686 0.976 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.128 0.620 0.302 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.141 3.052 -1.240 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.533 1.538 -2.404 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.157 1.669 -0.669 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.980 0.221 -1.295 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.892 1.718 -3.212 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.382 0.395 -2.126 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.221 1.963 -2.054 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.150 2.001 2.954 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.850 1.505 4.126 1.00 1.00 C ATOM 1123 C LYS A 71 -11.960 2.458 4.548 1.00 1.00 C ATOM 1124 O LYS A 71 -12.930 2.051 5.198 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.889 1.326 5.312 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.540 0.437 6.373 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.511 0.008 7.413 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.726 1.226 7.906 1.00 1.00 C ATOM 1129 NZ LYS A 71 -8.057 0.895 9.194 1.00 1.00 N ATOM 0 H LYS A 71 -9.194 2.305 3.138 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.278 0.541 3.852 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.955 0.878 4.972 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.640 2.297 5.740 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.354 0.976 6.858 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.977 -0.443 5.901 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -10.010 -0.477 8.252 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.829 -0.724 6.981 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.984 1.519 7.163 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -9.397 2.075 8.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -7.523 1.722 9.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -8.774 0.635 9.901 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.406 0.097 9.052 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.810 3.734 4.204 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.780 4.754 4.594 1.00 1.00 C ATOM 1145 C ASP A 72 -14.140 4.557 3.929 1.00 1.00 C ATOM 1146 O ASP A 72 -15.170 4.457 4.596 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.250 6.116 4.152 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.040 7.233 4.830 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.730 6.939 5.792 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.940 8.359 4.380 1.00 1.00 O ATOM 0 H ASP A 72 -11.026 4.087 3.656 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.911 4.684 5.674 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.193 6.203 4.404 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.328 6.211 3.069 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.130 4.499 2.605 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.390 4.326 1.892 1.00 1.00 C ATOM 1157 C TYR A 73 -15.830 2.871 1.965 1.00 1.00 C ATOM 1158 O TYR A 73 -17.020 2.583 1.950 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.290 4.782 0.427 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.580 3.762 -0.415 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.250 2.605 -0.825 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.250 3.969 -0.787 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.590 1.657 -1.594 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.600 3.024 -1.567 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.270 1.871 -1.964 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.610 0.923 -2.692 1.00 1.00 O ATOM 0 H TYR A 73 -13.298 4.566 2.019 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.136 4.956 2.376 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.290 4.953 0.028 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.759 5.733 0.375 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.281 2.449 -0.543 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.730 4.861 -0.469 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.101 0.757 -1.903 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.574 3.183 -1.866 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.992 0.041 -2.502 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.860 1.958 2.037 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.200 0.544 2.106 1.00 1.00 C ATOM 1178 C LEU A 74 -16.080 0.283 3.322 1.00 1.00 C ATOM 1179 O LEU A 74 -17.110 -0.369 3.228 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.920 -0.294 2.210 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.360 -0.624 0.814 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.900 -1.169 0.931 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.290 -1.644 0.103 1.00 1.00 C ATOM 0 H LEU A 74 -13.862 2.167 2.049 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.742 0.264 1.202 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.171 0.249 2.787 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -14.129 -1.218 2.749 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.327 0.285 0.213 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.516 -1.398 -0.063 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.267 -0.415 1.399 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.897 -2.074 1.539 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.890 -1.874 -0.884 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.347 -2.558 0.694 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.287 -1.216 -0.000 1.00 1.00 H new ATOM 1273 N PRO B 171 7.292 1.846 -7.558 1.00 1.00 N ATOM 1274 CA PRO B 171 6.134 2.035 -8.488 1.00 1.00 C ATOM 1275 C PRO B 171 5.259 3.216 -8.069 1.00 1.00 C ATOM 1276 O PRO B 171 5.560 3.910 -7.100 1.00 1.00 O ATOM 1277 CB PRO B 171 5.358 0.712 -8.396 1.00 1.00 C ATOM 1278 CG PRO B 171 5.717 0.156 -7.062 1.00 1.00 C ATOM 1279 CD PRO B 171 7.157 0.587 -6.802 1.00 1.00 C ATOM 0 HA PRO B 171 6.457 2.263 -9.504 1.00 1.00 H new ATOM 0 HB2 PRO B 171 4.284 0.876 -8.481 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.641 0.030 -9.198 1.00 1.00 H new ATOM 0 HG2 PRO B 171 5.050 0.536 -6.288 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.627 -0.930 -7.055 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.343 0.738 -5.739 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.867 -0.164 -7.147 1.00 1.00 H new ATOM 1287 N GLU B 172 4.173 3.430 -8.809 1.00 1.00 N ATOM 1288 CA GLU B 172 3.243 4.522 -8.517 1.00 1.00 C ATOM 1289 C GLU B 172 1.846 3.972 -8.301 1.00 1.00 C ATOM 1290 O GLU B 172 1.398 3.079 -9.020 1.00 1.00 O ATOM 1291 CB GLU B 172 3.230 5.527 -9.665 1.00 1.00 C ATOM 1292 CG GLU B 172 2.733 4.846 -10.940 1.00 1.00 C ATOM 1293 CD GLU B 172 2.849 5.810 -12.110 1.00 1.00 C ATOM 1294 OE1 GLU B 172 3.834 6.528 -12.170 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.951 5.818 -12.940 1.00 1.00 O ATOM 0 H GLU B 172 3.914 2.862 -9.616 1.00 1.00 H new ATOM 0 HA GLU B 172 3.573 5.027 -7.609 1.00 1.00 H new ATOM 0 HB2 GLU B 172 2.585 6.370 -9.416 1.00 1.00 H new ATOM 0 HB3 GLU B 172 4.232 5.928 -9.822 1.00 1.00 H new ATOM 0 HG2 GLU B 172 3.318 3.947 -11.136 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.697 4.531 -10.816 1.00 1.00 H new ATOM 1302 N VAL B 173 1.166 4.502 -7.299 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.180 4.039 -6.987 1.00 1.00 C ATOM 1304 C VAL B 173 -1.163 4.428 -8.105 1.00 1.00 C ATOM 1305 O VAL B 173 -1.123 5.551 -8.609 1.00 1.00 O ATOM 1306 CB VAL B 173 -0.655 4.621 -5.624 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.605 3.551 -4.525 1.00 1.00 C ATOM 1308 CG2 VAL B 173 0.261 5.771 -5.211 1.00 1.00 C ATOM 0 H VAL B 173 1.516 5.244 -6.693 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.157 2.952 -6.912 1.00 1.00 H new ATOM 0 HB VAL B 173 -1.681 4.969 -5.745 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -0.942 3.982 -3.582 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.256 2.720 -4.797 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.418 3.190 -4.415 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.073 6.177 -4.256 1.00 1.00 H new ATOM 0 HG22 VAL B 173 1.283 5.405 -5.112 1.00 1.00 H new ATOM 0 HG23 VAL B 173 0.228 6.553 -5.970 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.047 3.529 -8.485 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.057 3.818 -9.547 1.00 1.00 C ATOM 1320 C PRO B 174 -4.130 4.799 -9.067 1.00 1.00 C ATOM 1321 O PRO B 174 -4.523 4.783 -7.898 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.650 2.439 -9.864 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.488 1.641 -8.613 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.212 2.161 -7.949 1.00 1.00 C ATOM 0 HA PRO B 174 -2.618 4.300 -10.420 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.700 2.518 -10.146 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.130 1.970 -10.699 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.349 1.765 -7.956 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.407 0.577 -8.836 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.304 2.169 -6.863 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.354 1.534 -8.191 1.00 1.00 H new