USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 483 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 19 MET CE :methyl 159:sc= -0.331 (180deg=-1.39) USER MOD Set 1.2: A 42 MET CE :methyl -141:sc= -0.231 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 50:sc= 0.658 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -149:sc= 0 (180deg=-1.18) USER MOD Single : A 26 CYS SG : rot 100:sc= -2.94 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.75 (180deg=0.413) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 150:sc= 0 USER MOD Single : A 33 THR OG1 : rot 30:sc= -1.56! USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 36 SER OG : rot 80:sc= 0.00206 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -131:sc= -0.533 (180deg=-2.16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -17! C(o=-17!,f=-18!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.27! C(o=-4.3!,f=-6.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.122 17.339 -6.933 1.00 0.00 N ATOM 2 CA GLY A 1 -7.733 17.223 -7.347 1.00 0.00 C ATOM 3 C GLY A 1 -6.973 18.524 -7.085 1.00 0.00 C ATOM 4 O GLY A 1 -7.476 19.610 -7.372 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.616 16.443 -7.121 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.164 17.551 -5.916 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.580 18.106 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.256 16.404 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.685 16.977 -8.408 1.00 0.00 H new ATOM 8 N SER A 2 -5.773 18.373 -6.545 1.00 0.00 N ATOM 9 CA SER A 2 -4.937 19.522 -6.242 1.00 0.00 C ATOM 10 C SER A 2 -3.553 19.058 -5.785 1.00 0.00 C ATOM 11 O SER A 2 -3.440 18.195 -4.915 1.00 0.00 O ATOM 12 CB SER A 2 -5.582 20.404 -5.171 1.00 0.00 C ATOM 13 OG SER A 2 -5.694 21.761 -5.593 1.00 0.00 O ATOM 0 H SER A 2 -5.359 17.471 -6.309 1.00 0.00 H new ATOM 0 HA SER A 2 -4.831 20.117 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.572 20.016 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.990 20.356 -4.257 1.00 0.00 H new ATOM 0 HG SER A 2 -6.112 22.291 -4.883 1.00 0.00 H new ATOM 19 N SER A 3 -2.535 19.650 -6.392 1.00 0.00 N ATOM 20 CA SER A 3 -1.163 19.308 -6.058 1.00 0.00 C ATOM 21 C SER A 3 -0.510 20.456 -5.286 1.00 0.00 C ATOM 22 O SER A 3 -0.548 21.604 -5.726 1.00 0.00 O ATOM 23 CB SER A 3 -0.354 18.985 -7.316 1.00 0.00 C ATOM 24 OG SER A 3 0.654 18.009 -7.067 1.00 0.00 O ATOM 0 H SER A 3 -2.633 20.364 -7.113 1.00 0.00 H new ATOM 0 HA SER A 3 -1.176 18.418 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.025 18.623 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.109 19.897 -7.693 1.00 0.00 H new ATOM 0 HG SER A 3 1.147 17.829 -7.895 1.00 0.00 H new ATOM 30 N GLY A 4 0.074 20.106 -4.149 1.00 0.00 N ATOM 31 CA GLY A 4 0.734 21.094 -3.313 1.00 0.00 C ATOM 32 C GLY A 4 1.011 20.533 -1.916 1.00 0.00 C ATOM 33 O GLY A 4 0.349 20.908 -0.950 1.00 0.00 O ATOM 0 H GLY A 4 0.104 19.153 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.671 21.401 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.110 21.984 -3.234 1.00 0.00 H new ATOM 37 N SER A 5 1.990 19.642 -1.855 1.00 0.00 N ATOM 38 CA SER A 5 2.363 19.025 -0.593 1.00 0.00 C ATOM 39 C SER A 5 3.627 18.183 -0.776 1.00 0.00 C ATOM 40 O SER A 5 3.924 17.734 -1.881 1.00 0.00 O ATOM 41 CB SER A 5 1.225 18.162 -0.045 1.00 0.00 C ATOM 42 OG SER A 5 0.460 18.850 0.941 1.00 0.00 O ATOM 0 H SER A 5 2.536 19.333 -2.659 1.00 0.00 H new ATOM 0 HA SER A 5 2.563 19.817 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.573 17.860 -0.864 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.637 17.250 0.387 1.00 0.00 H new ATOM 0 HG SER A 5 0.204 19.732 0.599 1.00 0.00 H new ATOM 48 N SER A 6 4.339 17.996 0.326 1.00 0.00 N ATOM 49 CA SER A 6 5.565 17.216 0.302 1.00 0.00 C ATOM 50 C SER A 6 5.487 16.086 1.331 1.00 0.00 C ATOM 51 O SER A 6 4.882 16.247 2.390 1.00 0.00 O ATOM 52 CB SER A 6 6.784 18.099 0.574 1.00 0.00 C ATOM 53 OG SER A 6 7.989 17.340 0.633 1.00 0.00 O ATOM 0 H SER A 6 4.090 18.371 1.241 1.00 0.00 H new ATOM 0 HA SER A 6 5.677 16.785 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.868 18.853 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.644 18.631 1.515 1.00 0.00 H new ATOM 0 HG SER A 6 8.745 17.939 0.807 1.00 0.00 H new ATOM 59 N GLY A 7 6.107 14.969 0.983 1.00 0.00 N ATOM 60 CA GLY A 7 6.116 13.813 1.864 1.00 0.00 C ATOM 61 C GLY A 7 5.175 12.723 1.346 1.00 0.00 C ATOM 62 O GLY A 7 5.410 12.147 0.285 1.00 0.00 O ATOM 0 H GLY A 7 6.607 14.839 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.129 13.418 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.814 14.113 2.867 1.00 0.00 H new ATOM 66 N LEU A 8 4.130 12.472 2.120 1.00 0.00 N ATOM 67 CA LEU A 8 3.152 11.461 1.753 1.00 0.00 C ATOM 68 C LEU A 8 1.752 12.077 1.782 1.00 0.00 C ATOM 69 O LEU A 8 1.469 12.946 2.605 1.00 0.00 O ATOM 70 CB LEU A 8 3.299 10.226 2.644 1.00 0.00 C ATOM 71 CG LEU A 8 3.185 8.873 1.939 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.378 8.636 1.012 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.012 7.739 2.953 1.00 0.00 C ATOM 0 H LEU A 8 3.939 12.951 3.000 1.00 0.00 H new ATOM 0 HA LEU A 8 3.327 11.114 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.268 10.274 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.539 10.272 3.424 1.00 0.00 H new ATOM 0 HG LEU A 8 2.291 8.887 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.272 7.667 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.414 9.421 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.299 8.650 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.933 6.788 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.873 7.714 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.106 7.907 3.535 1.00 0.00 H new ATOM 85 N ASP A 9 0.913 11.604 0.872 1.00 0.00 N ATOM 86 CA ASP A 9 -0.450 12.097 0.782 1.00 0.00 C ATOM 87 C ASP A 9 -1.417 10.996 1.223 1.00 0.00 C ATOM 88 O ASP A 9 -1.624 10.022 0.501 1.00 0.00 O ATOM 89 CB ASP A 9 -0.801 12.488 -0.655 1.00 0.00 C ATOM 90 CG ASP A 9 -0.889 13.993 -0.913 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.551 14.750 0.022 1.00 0.00 O ATOM 92 OD2 ASP A 9 -1.291 14.353 -2.041 1.00 0.00 O ATOM 0 H ASP A 9 1.152 10.884 0.190 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.534 12.973 1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.053 12.063 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.757 12.033 -0.916 1.00 0.00 H new ATOM 97 N GLU A 10 -1.982 11.188 2.405 1.00 0.00 N ATOM 98 CA GLU A 10 -2.922 10.223 2.950 1.00 0.00 C ATOM 99 C GLU A 10 -4.222 10.235 2.144 1.00 0.00 C ATOM 100 O GLU A 10 -4.825 9.187 1.916 1.00 0.00 O ATOM 101 CB GLU A 10 -3.192 10.497 4.431 1.00 0.00 C ATOM 102 CG GLU A 10 -3.876 11.853 4.622 1.00 0.00 C ATOM 103 CD GLU A 10 -4.284 12.061 6.082 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.554 11.542 6.954 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.316 12.733 6.292 1.00 0.00 O ATOM 0 H GLU A 10 -1.807 11.997 3.001 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.479 9.230 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.821 9.707 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.254 10.478 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.202 12.651 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.757 11.913 3.983 1.00 0.00 H new ATOM 112 N SER A 11 -4.617 11.432 1.735 1.00 0.00 N ATOM 113 CA SER A 11 -5.835 11.593 0.960 1.00 0.00 C ATOM 114 C SER A 11 -5.930 10.494 -0.100 1.00 0.00 C ATOM 115 O SER A 11 -6.996 9.914 -0.304 1.00 0.00 O ATOM 116 CB SER A 11 -5.888 12.973 0.299 1.00 0.00 C ATOM 117 OG SER A 11 -7.120 13.641 0.559 1.00 0.00 O ATOM 0 H SER A 11 -4.115 12.299 1.926 1.00 0.00 H new ATOM 0 HA SER A 11 -6.685 11.510 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.061 13.582 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.754 12.865 -0.777 1.00 0.00 H new ATOM 0 HG SER A 11 -7.115 14.518 0.122 1.00 0.00 H new ATOM 123 N VAL A 12 -4.802 10.239 -0.746 1.00 0.00 N ATOM 124 CA VAL A 12 -4.745 9.219 -1.779 1.00 0.00 C ATOM 125 C VAL A 12 -4.925 7.841 -1.140 1.00 0.00 C ATOM 126 O VAL A 12 -5.720 7.031 -1.615 1.00 0.00 O ATOM 127 CB VAL A 12 -3.441 9.347 -2.570 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.170 8.083 -3.387 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.463 10.586 -3.467 1.00 0.00 C ATOM 0 H VAL A 12 -3.920 10.721 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.557 9.354 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.626 9.466 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.238 8.200 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.090 7.227 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.989 7.920 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.525 10.653 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.292 10.511 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.588 11.478 -2.853 1.00 0.00 H new ATOM 139 N ILE A 13 -4.172 7.617 -0.073 1.00 0.00 N ATOM 140 CA ILE A 13 -4.238 6.350 0.637 1.00 0.00 C ATOM 141 C ILE A 13 -5.682 6.087 1.068 1.00 0.00 C ATOM 142 O ILE A 13 -6.223 5.012 0.814 1.00 0.00 O ATOM 143 CB ILE A 13 -3.237 6.332 1.794 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.802 6.467 1.280 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.421 5.083 2.658 1.00 0.00 C ATOM 146 CD1 ILE A 13 -0.969 7.352 2.209 1.00 0.00 C ATOM 0 H ILE A 13 -3.513 8.291 0.317 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.947 5.529 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.434 7.195 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.344 5.481 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.810 6.892 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.697 5.095 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.430 5.070 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.266 4.193 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.047 7.432 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.416 8.345 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.943 6.911 3.205 1.00 0.00 H new ATOM 158 N ILE A 14 -6.265 7.086 1.713 1.00 0.00 N ATOM 159 CA ILE A 14 -7.636 6.976 2.182 1.00 0.00 C ATOM 160 C ILE A 14 -8.519 6.457 1.046 1.00 0.00 C ATOM 161 O ILE A 14 -9.218 5.457 1.205 1.00 0.00 O ATOM 162 CB ILE A 14 -8.109 8.307 2.771 1.00 0.00 C ATOM 163 CG1 ILE A 14 -7.593 8.489 4.200 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.632 8.430 2.691 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.348 9.377 4.224 1.00 0.00 C ATOM 0 H ILE A 14 -5.813 7.976 1.922 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.704 6.253 2.994 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.688 9.115 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.373 8.933 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.359 7.516 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.943 9.384 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.947 8.377 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.093 7.616 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.002 9.490 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.562 8.918 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.592 10.357 3.813 1.00 0.00 H new ATOM 177 N GLN A 15 -8.459 7.160 -0.076 1.00 0.00 N ATOM 178 CA GLN A 15 -9.244 6.783 -1.238 1.00 0.00 C ATOM 179 C GLN A 15 -9.045 5.299 -1.555 1.00 0.00 C ATOM 180 O GLN A 15 -10.015 4.560 -1.716 1.00 0.00 O ATOM 181 CB GLN A 15 -8.890 7.654 -2.445 1.00 0.00 C ATOM 182 CG GLN A 15 -9.059 9.139 -2.118 1.00 0.00 C ATOM 183 CD GLN A 15 -10.057 9.800 -3.071 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.222 9.987 -2.759 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.538 10.143 -4.246 1.00 0.00 N ATOM 0 H GLN A 15 -7.878 7.989 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.297 6.947 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.861 7.460 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.527 7.389 -3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.403 9.252 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.095 9.643 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.554 9.958 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.123 10.591 -4.951 1.00 0.00 H new ATOM 194 N LEU A 16 -7.782 4.909 -1.635 1.00 0.00 N ATOM 195 CA LEU A 16 -7.443 3.527 -1.929 1.00 0.00 C ATOM 196 C LEU A 16 -8.062 2.617 -0.866 1.00 0.00 C ATOM 197 O LEU A 16 -8.728 1.636 -1.195 1.00 0.00 O ATOM 198 CB LEU A 16 -5.928 3.365 -2.071 1.00 0.00 C ATOM 199 CG LEU A 16 -5.277 4.127 -3.227 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.803 4.413 -2.934 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.465 3.382 -4.550 1.00 0.00 C ATOM 0 H LEU A 16 -6.981 5.526 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.863 3.228 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.460 3.686 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.706 2.305 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.778 5.090 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.364 4.955 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.722 5.015 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.271 3.472 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.993 3.945 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.007 2.395 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.529 3.274 -4.759 1.00 0.00 H new ATOM 213 N VAL A 17 -7.820 2.974 0.386 1.00 0.00 N ATOM 214 CA VAL A 17 -8.345 2.202 1.499 1.00 0.00 C ATOM 215 C VAL A 17 -9.869 2.119 1.383 1.00 0.00 C ATOM 216 O VAL A 17 -10.474 1.131 1.798 1.00 0.00 O ATOM 217 CB VAL A 17 -7.879 2.809 2.824 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.602 2.163 4.008 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.362 2.692 2.977 1.00 0.00 C ATOM 0 H VAL A 17 -7.267 3.788 0.655 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.960 1.183 1.471 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.134 3.869 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.252 2.613 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.676 2.322 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.394 1.093 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.057 3.131 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.074 1.641 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.872 3.221 2.159 1.00 0.00 H new ATOM 229 N GLU A 18 -10.445 3.169 0.817 1.00 0.00 N ATOM 230 CA GLU A 18 -11.886 3.227 0.640 1.00 0.00 C ATOM 231 C GLU A 18 -12.354 2.099 -0.282 1.00 0.00 C ATOM 232 O GLU A 18 -13.380 1.470 -0.027 1.00 0.00 O ATOM 233 CB GLU A 18 -12.318 4.592 0.100 1.00 0.00 C ATOM 234 CG GLU A 18 -13.253 5.300 1.082 1.00 0.00 C ATOM 235 CD GLU A 18 -14.455 4.419 1.427 1.00 0.00 C ATOM 236 OE1 GLU A 18 -15.432 4.462 0.648 1.00 0.00 O ATOM 237 OE2 GLU A 18 -14.371 3.722 2.461 1.00 0.00 O ATOM 0 H GLU A 18 -9.940 3.987 0.475 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.357 3.093 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.439 5.210 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.821 4.465 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.708 5.550 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.598 6.239 0.649 1.00 0.00 H new ATOM 244 N MET A 19 -11.580 1.878 -1.334 1.00 0.00 N ATOM 245 CA MET A 19 -11.902 0.837 -2.294 1.00 0.00 C ATOM 246 C MET A 19 -11.960 -0.535 -1.618 1.00 0.00 C ATOM 247 O MET A 19 -12.698 -1.416 -2.057 1.00 0.00 O ATOM 248 CB MET A 19 -10.844 0.817 -3.400 1.00 0.00 C ATOM 249 CG MET A 19 -11.278 1.676 -4.589 1.00 0.00 C ATOM 250 SD MET A 19 -10.414 1.159 -6.063 1.00 0.00 S ATOM 251 CE MET A 19 -8.809 1.874 -5.748 1.00 0.00 C ATOM 0 H MET A 19 -10.730 2.402 -1.542 1.00 0.00 H new ATOM 0 HA MET A 19 -12.882 1.053 -2.720 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.896 1.185 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 19 -10.676 -0.208 -3.729 1.00 0.00 H new ATOM 0 HG2 MET A 19 -12.354 1.588 -4.738 1.00 0.00 H new ATOM 0 HG3 MET A 19 -11.070 2.726 -4.385 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.058 1.360 -6.348 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.824 2.931 -6.012 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.564 1.767 -4.691 1.00 0.00 H new ATOM 261 N GLY A 20 -11.173 -0.672 -0.562 1.00 0.00 N ATOM 262 CA GLY A 20 -11.126 -1.921 0.179 1.00 0.00 C ATOM 263 C GLY A 20 -9.713 -2.508 0.175 1.00 0.00 C ATOM 264 O GLY A 20 -9.520 -3.668 -0.185 1.00 0.00 O ATOM 0 H GLY A 20 -10.562 0.061 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.450 -1.751 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.822 -2.635 -0.261 1.00 0.00 H new ATOM 268 N PHE A 21 -8.761 -1.679 0.579 1.00 0.00 N ATOM 269 CA PHE A 21 -7.372 -2.102 0.626 1.00 0.00 C ATOM 270 C PHE A 21 -6.743 -1.769 1.981 1.00 0.00 C ATOM 271 O PHE A 21 -7.223 -0.888 2.693 1.00 0.00 O ATOM 272 CB PHE A 21 -6.632 -1.330 -0.469 1.00 0.00 C ATOM 273 CG PHE A 21 -6.763 -1.948 -1.862 1.00 0.00 C ATOM 274 CD1 PHE A 21 -6.470 -3.263 -2.053 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.172 -1.184 -2.910 1.00 0.00 C ATOM 276 CE1 PHE A 21 -6.591 -3.837 -3.346 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.293 -1.758 -4.203 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.000 -3.072 -4.394 1.00 0.00 C ATOM 0 H PHE A 21 -8.925 -0.717 0.877 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.306 -3.180 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.011 -0.308 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.576 -1.270 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.145 -3.870 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.405 -0.140 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.358 -4.881 -3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.618 -1.151 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.092 -3.508 -5.378 1.00 0.00 H new ATOM 288 N PRO A 22 -5.651 -2.511 2.305 1.00 0.00 N ATOM 289 CA PRO A 22 -4.951 -2.304 3.562 1.00 0.00 C ATOM 290 C PRO A 22 -4.113 -1.025 3.518 1.00 0.00 C ATOM 291 O PRO A 22 -3.227 -0.887 2.676 1.00 0.00 O ATOM 292 CB PRO A 22 -4.113 -3.557 3.757 1.00 0.00 C ATOM 293 CG PRO A 22 -4.015 -4.210 2.388 1.00 0.00 C ATOM 294 CD PRO A 22 -5.054 -3.563 1.487 1.00 0.00 C ATOM 0 HA PRO A 22 -5.630 -2.160 4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.124 -3.309 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.578 -4.229 4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.016 -4.079 1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.191 -5.283 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.597 -3.153 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.803 -4.286 1.163 1.00 0.00 H new ATOM 302 N MET A 23 -4.422 -0.121 4.437 1.00 0.00 N ATOM 303 CA MET A 23 -3.709 1.142 4.514 1.00 0.00 C ATOM 304 C MET A 23 -2.220 0.949 4.219 1.00 0.00 C ATOM 305 O MET A 23 -1.679 1.572 3.306 1.00 0.00 O ATOM 306 CB MET A 23 -3.879 1.740 5.912 1.00 0.00 C ATOM 307 CG MET A 23 -3.954 3.267 5.850 1.00 0.00 C ATOM 308 SD MET A 23 -5.560 3.821 6.396 1.00 0.00 S ATOM 309 CE MET A 23 -5.528 5.503 5.798 1.00 0.00 C ATOM 0 H MET A 23 -5.157 -0.239 5.134 1.00 0.00 H new ATOM 0 HA MET A 23 -4.124 1.819 3.767 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.785 1.346 6.372 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.044 1.439 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.177 3.703 6.477 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.770 3.607 4.831 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.118 6.136 6.461 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.499 5.862 5.775 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.947 5.540 4.793 1.00 0.00 H new ATOM 319 N ASP A 24 -1.599 0.085 5.008 1.00 0.00 N ATOM 320 CA ASP A 24 -0.184 -0.198 4.842 1.00 0.00 C ATOM 321 C ASP A 24 0.145 -0.275 3.350 1.00 0.00 C ATOM 322 O ASP A 24 1.047 0.413 2.873 1.00 0.00 O ATOM 323 CB ASP A 24 0.189 -1.538 5.478 1.00 0.00 C ATOM 324 CG ASP A 24 0.518 -1.477 6.971 1.00 0.00 C ATOM 325 OD1 ASP A 24 1.365 -0.631 7.331 1.00 0.00 O ATOM 326 OD2 ASP A 24 -0.085 -2.277 7.719 1.00 0.00 O ATOM 0 H ASP A 24 -2.050 -0.429 5.765 1.00 0.00 H new ATOM 0 HA ASP A 24 0.378 0.600 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.636 -2.235 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.049 -1.947 4.948 1.00 0.00 H new ATOM 331 N ALA A 25 -0.603 -1.118 2.654 1.00 0.00 N ATOM 332 CA ALA A 25 -0.402 -1.294 1.226 1.00 0.00 C ATOM 333 C ALA A 25 -0.549 0.058 0.525 1.00 0.00 C ATOM 334 O ALA A 25 0.248 0.398 -0.349 1.00 0.00 O ATOM 335 CB ALA A 25 -1.389 -2.336 0.696 1.00 0.00 C ATOM 0 H ALA A 25 -1.350 -1.687 3.053 1.00 0.00 H new ATOM 0 HA ALA A 25 0.603 -1.664 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.238 -2.468 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.224 -3.285 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.409 -1.998 0.880 1.00 0.00 H new ATOM 341 N CYS A 26 -1.573 0.793 0.933 1.00 0.00 N ATOM 342 CA CYS A 26 -1.834 2.100 0.354 1.00 0.00 C ATOM 343 C CYS A 26 -0.630 3.000 0.638 1.00 0.00 C ATOM 344 O CYS A 26 -0.186 3.742 -0.236 1.00 0.00 O ATOM 345 CB CYS A 26 -3.136 2.703 0.885 1.00 0.00 C ATOM 346 SG CYS A 26 -4.565 1.720 0.302 1.00 0.00 S ATOM 0 H CYS A 26 -2.232 0.508 1.658 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.968 2.004 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.119 2.724 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.232 3.735 0.548 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.956 0.920 1.249 1.00 0.00 H new ATOM 352 N ARG A 27 -0.136 2.904 1.864 1.00 0.00 N ATOM 353 CA ARG A 27 1.008 3.700 2.274 1.00 0.00 C ATOM 354 C ARG A 27 2.281 3.188 1.598 1.00 0.00 C ATOM 355 O ARG A 27 3.289 3.892 1.547 1.00 0.00 O ATOM 356 CB ARG A 27 1.193 3.658 3.792 1.00 0.00 C ATOM 357 CG ARG A 27 0.373 4.755 4.474 1.00 0.00 C ATOM 358 CD ARG A 27 0.207 4.467 5.968 1.00 0.00 C ATOM 359 NE ARG A 27 0.935 5.482 6.763 1.00 0.00 N ATOM 360 CZ ARG A 27 1.292 5.318 8.044 1.00 0.00 C ATOM 361 NH1 ARG A 27 0.992 4.179 8.682 1.00 0.00 N ATOM 362 NH2 ARG A 27 1.950 6.292 8.686 1.00 0.00 N ATOM 0 H ARG A 27 -0.507 2.287 2.586 1.00 0.00 H new ATOM 0 HA ARG A 27 0.820 4.730 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.890 2.683 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.248 3.782 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.864 5.719 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.607 4.827 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.850 4.475 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.586 3.472 6.199 1.00 0.00 H new ATOM 0 HE ARG A 27 1.180 6.361 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.492 3.437 8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.264 4.054 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.179 7.159 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.222 6.167 9.661 1.00 0.00 H new ATOM 376 N LYS A 28 2.195 1.965 1.095 1.00 0.00 N ATOM 377 CA LYS A 28 3.328 1.350 0.424 1.00 0.00 C ATOM 378 C LYS A 28 3.444 1.914 -0.993 1.00 0.00 C ATOM 379 O LYS A 28 4.481 2.461 -1.364 1.00 0.00 O ATOM 380 CB LYS A 28 3.215 -0.175 0.471 1.00 0.00 C ATOM 381 CG LYS A 28 3.877 -0.736 1.732 1.00 0.00 C ATOM 382 CD LYS A 28 4.145 -2.235 1.590 1.00 0.00 C ATOM 383 CE LYS A 28 2.940 -2.952 0.979 1.00 0.00 C ATOM 384 NZ LYS A 28 3.258 -4.374 0.721 1.00 0.00 N ATOM 0 H LYS A 28 1.358 1.383 1.139 1.00 0.00 H new ATOM 0 HA LYS A 28 4.256 1.594 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.165 -0.466 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.685 -0.605 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.814 -0.212 1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.234 -0.558 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.023 -2.393 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.370 -2.662 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.087 -2.881 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.652 -2.463 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.378 -4.929 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.742 -4.461 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.878 -4.733 1.475 1.00 0.00 H new ATOM 398 N ALA A 29 2.364 1.762 -1.746 1.00 0.00 N ATOM 399 CA ALA A 29 2.332 2.250 -3.115 1.00 0.00 C ATOM 400 C ALA A 29 2.870 3.682 -3.154 1.00 0.00 C ATOM 401 O ALA A 29 3.926 3.936 -3.732 1.00 0.00 O ATOM 402 CB ALA A 29 0.906 2.148 -3.660 1.00 0.00 C ATOM 0 H ALA A 29 1.505 1.308 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 29 2.970 1.640 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.882 2.514 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.582 1.108 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.237 2.750 -3.044 1.00 0.00 H new ATOM 408 N VAL A 30 2.121 4.579 -2.532 1.00 0.00 N ATOM 409 CA VAL A 30 2.509 5.978 -2.488 1.00 0.00 C ATOM 410 C VAL A 30 3.998 6.079 -2.150 1.00 0.00 C ATOM 411 O VAL A 30 4.785 6.596 -2.942 1.00 0.00 O ATOM 412 CB VAL A 30 1.619 6.739 -1.503 1.00 0.00 C ATOM 413 CG1 VAL A 30 2.025 8.212 -1.421 1.00 0.00 C ATOM 414 CG2 VAL A 30 0.143 6.596 -1.876 1.00 0.00 C ATOM 0 H VAL A 30 1.246 4.364 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 30 2.364 6.445 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 30 1.759 6.299 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.376 8.729 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.059 8.286 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.929 8.671 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.468 7.146 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.020 6.997 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.137 5.543 -1.858 1.00 0.00 H new ATOM 424 N TYR A 31 4.340 5.578 -0.972 1.00 0.00 N ATOM 425 CA TYR A 31 5.720 5.605 -0.519 1.00 0.00 C ATOM 426 C TYR A 31 6.676 5.216 -1.649 1.00 0.00 C ATOM 427 O TYR A 31 7.544 5.999 -2.030 1.00 0.00 O ATOM 428 CB TYR A 31 5.818 4.564 0.597 1.00 0.00 C ATOM 429 CG TYR A 31 7.249 4.278 1.058 1.00 0.00 C ATOM 430 CD1 TYR A 31 8.046 5.308 1.513 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.743 2.990 1.017 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.393 5.039 1.947 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.090 2.721 1.451 1.00 0.00 C ATOM 434 CZ TYR A 31 9.848 3.759 1.894 1.00 0.00 C ATOM 435 OH TYR A 31 11.120 3.505 2.303 1.00 0.00 O ATOM 0 H TYR A 31 3.685 5.151 -0.317 1.00 0.00 H new ATOM 0 HA TYR A 31 5.994 6.605 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.234 4.906 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.365 3.634 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.660 6.316 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.120 2.184 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.027 5.836 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.489 1.718 1.425 1.00 0.00 H new ATOM 0 HH TYR A 31 11.308 2.548 2.211 1.00 0.00 H new ATOM 445 N TYR A 32 6.483 4.006 -2.153 1.00 0.00 N ATOM 446 CA TYR A 32 7.317 3.503 -3.232 1.00 0.00 C ATOM 447 C TYR A 32 7.265 4.434 -4.445 1.00 0.00 C ATOM 448 O TYR A 32 8.300 4.903 -4.917 1.00 0.00 O ATOM 449 CB TYR A 32 6.729 2.145 -3.621 1.00 0.00 C ATOM 450 CG TYR A 32 7.048 1.022 -2.631 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.360 0.727 -2.322 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.023 0.305 -2.048 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.660 -0.329 -1.391 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.323 -0.751 -1.117 1.00 0.00 C ATOM 455 CZ TYR A 32 7.627 -1.017 -0.834 1.00 0.00 C ATOM 456 OH TYR A 32 7.910 -2.014 0.045 1.00 0.00 O ATOM 0 H TYR A 32 5.762 3.359 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 32 8.357 3.433 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.647 2.241 -3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.106 1.866 -4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.162 1.288 -2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.996 0.536 -2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.683 -0.570 -1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.531 -1.320 -0.653 1.00 0.00 H new ATOM 0 HH TYR A 32 7.183 -2.092 0.697 1.00 0.00 H new ATOM 466 N THR A 33 6.050 4.675 -4.914 1.00 0.00 N ATOM 467 CA THR A 33 5.850 5.542 -6.063 1.00 0.00 C ATOM 468 C THR A 33 6.389 6.944 -5.774 1.00 0.00 C ATOM 469 O THR A 33 6.567 7.746 -6.689 1.00 0.00 O ATOM 470 CB THR A 33 4.361 5.524 -6.415 1.00 0.00 C ATOM 471 OG1 THR A 33 3.709 5.816 -5.181 1.00 0.00 O ATOM 472 CG2 THR A 33 3.861 4.125 -6.778 1.00 0.00 C ATOM 0 H THR A 33 5.194 4.285 -4.519 1.00 0.00 H new ATOM 0 HA THR A 33 6.408 5.186 -6.929 1.00 0.00 H new ATOM 0 HB THR A 33 4.178 6.202 -7.248 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.286 6.388 -4.633 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.799 4.169 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.414 3.754 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.014 3.453 -5.933 1.00 0.00 H new ATOM 480 N GLY A 34 6.636 7.196 -4.497 1.00 0.00 N ATOM 481 CA GLY A 34 7.152 8.488 -4.075 1.00 0.00 C ATOM 482 C GLY A 34 6.104 9.586 -4.266 1.00 0.00 C ATOM 483 O GLY A 34 6.435 10.704 -4.658 1.00 0.00 O ATOM 0 H GLY A 34 6.489 6.528 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.448 8.441 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.047 8.731 -4.648 1.00 0.00 H new ATOM 487 N ASN A 35 4.860 9.229 -3.980 1.00 0.00 N ATOM 488 CA ASN A 35 3.761 10.170 -4.115 1.00 0.00 C ATOM 489 C ASN A 35 3.733 10.712 -5.545 1.00 0.00 C ATOM 490 O ASN A 35 4.539 11.569 -5.904 1.00 0.00 O ATOM 491 CB ASN A 35 3.931 11.355 -3.163 1.00 0.00 C ATOM 492 CG ASN A 35 2.583 12.007 -2.852 1.00 0.00 C ATOM 493 OD1 ASN A 35 1.565 11.707 -3.455 1.00 0.00 O ATOM 494 ND2 ASN A 35 2.631 12.913 -1.880 1.00 0.00 N ATOM 0 H ASN A 35 4.589 8.301 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 35 2.836 9.645 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.398 11.018 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.601 12.091 -3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.783 13.404 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.516 13.117 -1.416 1.00 0.00 H new ATOM 501 N SER A 36 2.796 10.190 -6.323 1.00 0.00 N ATOM 502 CA SER A 36 2.652 10.611 -7.707 1.00 0.00 C ATOM 503 C SER A 36 1.194 10.976 -7.993 1.00 0.00 C ATOM 504 O SER A 36 0.918 12.003 -8.612 1.00 0.00 O ATOM 505 CB SER A 36 3.124 9.518 -8.667 1.00 0.00 C ATOM 506 OG SER A 36 4.540 9.355 -8.637 1.00 0.00 O ATOM 0 H SER A 36 2.129 9.480 -6.022 1.00 0.00 H new ATOM 0 HA SER A 36 3.278 11.490 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.645 8.574 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.809 9.765 -9.681 1.00 0.00 H new ATOM 0 HG SER A 36 4.790 8.812 -7.861 1.00 0.00 H new ATOM 512 N GLY A 37 0.300 10.116 -7.530 1.00 0.00 N ATOM 513 CA GLY A 37 -1.123 10.335 -7.729 1.00 0.00 C ATOM 514 C GLY A 37 -1.921 9.067 -7.421 1.00 0.00 C ATOM 515 O GLY A 37 -1.374 7.965 -7.435 1.00 0.00 O ATOM 0 H GLY A 37 0.533 9.266 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.463 11.148 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.307 10.644 -8.758 1.00 0.00 H new ATOM 519 N ALA A 38 -3.203 9.264 -7.151 1.00 0.00 N ATOM 520 CA ALA A 38 -4.082 8.150 -6.840 1.00 0.00 C ATOM 521 C ALA A 38 -3.942 7.077 -7.921 1.00 0.00 C ATOM 522 O ALA A 38 -3.589 5.936 -7.627 1.00 0.00 O ATOM 523 CB ALA A 38 -5.520 8.656 -6.704 1.00 0.00 C ATOM 0 H ALA A 38 -3.654 10.179 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.804 7.697 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.179 7.820 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.572 9.394 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.834 9.115 -7.641 1.00 0.00 H new ATOM 529 N GLU A 39 -4.225 7.482 -9.151 1.00 0.00 N ATOM 530 CA GLU A 39 -4.134 6.569 -10.278 1.00 0.00 C ATOM 531 C GLU A 39 -2.736 5.952 -10.351 1.00 0.00 C ATOM 532 O GLU A 39 -2.588 4.732 -10.297 1.00 0.00 O ATOM 533 CB GLU A 39 -4.490 7.278 -11.587 1.00 0.00 C ATOM 534 CG GLU A 39 -5.896 6.896 -12.053 1.00 0.00 C ATOM 535 CD GLU A 39 -6.692 8.135 -12.467 1.00 0.00 C ATOM 536 OE1 GLU A 39 -6.418 8.641 -13.577 1.00 0.00 O ATOM 537 OE2 GLU A 39 -7.556 8.549 -11.665 1.00 0.00 O ATOM 0 H GLU A 39 -4.517 8.429 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.856 5.766 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.430 8.357 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.764 7.015 -12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.829 6.205 -12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.419 6.374 -11.252 1.00 0.00 H new ATOM 544 N ALA A 40 -1.745 6.823 -10.472 1.00 0.00 N ATOM 545 CA ALA A 40 -0.364 6.379 -10.552 1.00 0.00 C ATOM 546 C ALA A 40 -0.092 5.368 -9.436 1.00 0.00 C ATOM 547 O ALA A 40 0.382 4.264 -9.697 1.00 0.00 O ATOM 548 CB ALA A 40 0.567 7.591 -10.480 1.00 0.00 C ATOM 0 H ALA A 40 -1.871 7.834 -10.517 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.176 5.879 -11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.603 7.258 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.353 8.264 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.409 8.116 -9.538 1.00 0.00 H new ATOM 554 N ALA A 41 -0.404 5.782 -8.217 1.00 0.00 N ATOM 555 CA ALA A 41 -0.199 4.927 -7.061 1.00 0.00 C ATOM 556 C ALA A 41 -0.952 3.611 -7.266 1.00 0.00 C ATOM 557 O ALA A 41 -0.368 2.534 -7.155 1.00 0.00 O ATOM 558 CB ALA A 41 -0.646 5.662 -5.796 1.00 0.00 C ATOM 0 H ALA A 41 -0.797 6.699 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 41 0.858 4.688 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.492 5.020 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.062 6.575 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.703 5.915 -5.877 1.00 0.00 H new ATOM 564 N MET A 42 -2.237 3.740 -7.563 1.00 0.00 N ATOM 565 CA MET A 42 -3.075 2.575 -7.785 1.00 0.00 C ATOM 566 C MET A 42 -2.330 1.509 -8.592 1.00 0.00 C ATOM 567 O MET A 42 -2.210 0.366 -8.154 1.00 0.00 O ATOM 568 CB MET A 42 -4.341 2.992 -8.536 1.00 0.00 C ATOM 569 CG MET A 42 -5.593 2.692 -7.708 1.00 0.00 C ATOM 570 SD MET A 42 -6.973 2.353 -8.789 1.00 0.00 S ATOM 571 CE MET A 42 -7.939 3.831 -8.532 1.00 0.00 C ATOM 0 H MET A 42 -2.718 4.635 -7.655 1.00 0.00 H new ATOM 0 HA MET A 42 -3.340 2.151 -6.816 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.298 4.057 -8.765 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.395 2.463 -9.488 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.412 1.837 -7.057 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.825 3.540 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.998 3.573 -8.503 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.652 4.294 -7.588 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.758 4.530 -9.348 1.00 0.00 H new ATOM 581 N ASN A 43 -1.850 1.922 -9.755 1.00 0.00 N ATOM 582 CA ASN A 43 -1.120 1.018 -10.627 1.00 0.00 C ATOM 583 C ASN A 43 -0.181 0.151 -9.785 1.00 0.00 C ATOM 584 O ASN A 43 -0.267 -1.075 -9.817 1.00 0.00 O ATOM 585 CB ASN A 43 -0.271 1.792 -11.637 1.00 0.00 C ATOM 586 CG ASN A 43 -0.405 1.193 -13.039 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.069 0.046 -13.287 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.912 2.030 -13.939 1.00 0.00 N ATOM 0 H ASN A 43 -1.952 2.871 -10.114 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.846 0.406 -11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.581 2.837 -11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.774 1.774 -11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.040 1.725 -14.904 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.173 2.977 -13.665 1.00 0.00 H new ATOM 595 N TRP A 44 0.694 0.824 -9.052 1.00 0.00 N ATOM 596 CA TRP A 44 1.648 0.131 -8.203 1.00 0.00 C ATOM 597 C TRP A 44 0.888 -0.931 -7.406 1.00 0.00 C ATOM 598 O TRP A 44 1.350 -2.063 -7.275 1.00 0.00 O ATOM 599 CB TRP A 44 2.407 1.117 -7.313 1.00 0.00 C ATOM 600 CG TRP A 44 3.433 0.458 -6.388 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.766 0.436 -6.518 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.152 -0.278 -5.179 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.364 -0.257 -5.485 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.351 -0.705 -4.645 1.00 0.00 C ATOM 605 CE3 TRP A 44 1.927 -0.573 -4.557 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.441 -1.452 -3.464 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.034 -1.320 -3.378 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.233 -1.758 -2.827 1.00 0.00 C ATOM 0 H TRP A 44 0.762 1.841 -9.029 1.00 0.00 H new ATOM 0 HA TRP A 44 2.410 -0.365 -8.804 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.917 1.843 -7.946 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.689 1.670 -6.707 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.305 0.902 -7.329 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.365 -0.412 -5.361 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.978 -0.249 -4.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.392 -1.775 -3.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.121 -1.574 -2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.232 -2.332 -1.912 1.00 0.00 H new ATOM 619 N VAL A 45 -0.266 -0.528 -6.894 1.00 0.00 N ATOM 620 CA VAL A 45 -1.094 -1.430 -6.114 1.00 0.00 C ATOM 621 C VAL A 45 -1.624 -2.542 -7.021 1.00 0.00 C ATOM 622 O VAL A 45 -1.572 -3.718 -6.663 1.00 0.00 O ATOM 623 CB VAL A 45 -2.208 -0.647 -5.415 1.00 0.00 C ATOM 624 CG1 VAL A 45 -3.008 -1.551 -4.475 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.642 0.561 -4.666 1.00 0.00 C ATOM 0 H VAL A 45 -0.647 0.412 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.506 -1.904 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.889 -0.277 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.793 -0.969 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.458 -2.363 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.344 -1.966 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.454 1.100 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.929 0.222 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.139 1.223 -5.371 1.00 0.00 H new ATOM 635 N MET A 46 -2.122 -2.132 -8.178 1.00 0.00 N ATOM 636 CA MET A 46 -2.661 -3.079 -9.139 1.00 0.00 C ATOM 637 C MET A 46 -1.601 -4.100 -9.556 1.00 0.00 C ATOM 638 O MET A 46 -1.932 -5.199 -9.998 1.00 0.00 O ATOM 639 CB MET A 46 -3.159 -2.325 -10.374 1.00 0.00 C ATOM 640 CG MET A 46 -4.226 -1.296 -9.996 1.00 0.00 C ATOM 641 SD MET A 46 -5.535 -2.085 -9.075 1.00 0.00 S ATOM 642 CE MET A 46 -5.734 -0.907 -7.748 1.00 0.00 C ATOM 0 H MET A 46 -2.164 -1.156 -8.472 1.00 0.00 H new ATOM 0 HA MET A 46 -3.488 -3.613 -8.671 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.322 -1.824 -10.860 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.570 -3.032 -11.095 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.780 -0.499 -9.400 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.631 -0.833 -10.896 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.736 -1.432 -6.793 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.910 -0.194 -7.768 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.677 -0.375 -7.872 1.00 0.00 H new ATOM 652 N SER A 47 -0.347 -3.700 -9.402 1.00 0.00 N ATOM 653 CA SER A 47 0.764 -4.567 -9.757 1.00 0.00 C ATOM 654 C SER A 47 1.172 -5.415 -8.551 1.00 0.00 C ATOM 655 O SER A 47 1.352 -6.625 -8.671 1.00 0.00 O ATOM 656 CB SER A 47 1.957 -3.753 -10.263 1.00 0.00 C ATOM 657 OG SER A 47 1.909 -3.555 -11.673 1.00 0.00 O ATOM 0 H SER A 47 -0.076 -2.787 -9.036 1.00 0.00 H new ATOM 0 HA SER A 47 0.441 -5.226 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.974 -2.785 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.883 -4.265 -10.000 1.00 0.00 H new ATOM 0 HG SER A 47 2.686 -3.030 -11.956 1.00 0.00 H new ATOM 663 N HIS A 48 1.307 -4.745 -7.415 1.00 0.00 N ATOM 664 CA HIS A 48 1.691 -5.422 -6.189 1.00 0.00 C ATOM 665 C HIS A 48 0.618 -6.445 -5.810 1.00 0.00 C ATOM 666 O HIS A 48 0.922 -7.618 -5.594 1.00 0.00 O ATOM 667 CB HIS A 48 1.966 -4.411 -5.073 1.00 0.00 C ATOM 668 CG HIS A 48 3.415 -4.001 -4.960 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.229 -4.406 -3.916 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.186 -3.221 -5.769 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.433 -3.886 -4.099 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.405 -3.151 -5.248 1.00 0.00 N ATOM 0 H HIS A 48 1.157 -3.741 -7.319 1.00 0.00 H new ATOM 0 HA HIS A 48 2.623 -5.965 -6.346 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.360 -3.522 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.644 -4.837 -4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.860 -2.741 -6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.287 -4.020 -3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.191 -2.633 -5.642 1.00 0.00 H new ATOM 680 N MET A 49 -0.614 -5.965 -5.740 1.00 0.00 N ATOM 681 CA MET A 49 -1.734 -6.823 -5.391 1.00 0.00 C ATOM 682 C MET A 49 -1.614 -8.186 -6.076 1.00 0.00 C ATOM 683 O MET A 49 -2.113 -9.188 -5.565 1.00 0.00 O ATOM 684 CB MET A 49 -3.043 -6.153 -5.813 1.00 0.00 C ATOM 685 CG MET A 49 -3.187 -6.143 -7.337 1.00 0.00 C ATOM 686 SD MET A 49 -4.837 -5.635 -7.790 1.00 0.00 S ATOM 687 CE MET A 49 -5.450 -7.160 -8.486 1.00 0.00 C ATOM 0 H MET A 49 -0.862 -4.992 -5.919 1.00 0.00 H new ATOM 0 HA MET A 49 -1.727 -6.977 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.886 -6.681 -5.368 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.071 -5.131 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.455 -5.464 -7.775 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.980 -7.136 -7.737 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.477 -7.019 -8.822 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.828 -7.450 -9.333 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.420 -7.943 -7.729 1.00 0.00 H new ATOM 697 N ASP A 50 -0.950 -8.180 -7.222 1.00 0.00 N ATOM 698 CA ASP A 50 -0.758 -9.403 -7.982 1.00 0.00 C ATOM 699 C ASP A 50 -0.269 -10.509 -7.046 1.00 0.00 C ATOM 700 O ASP A 50 -0.572 -11.683 -7.253 1.00 0.00 O ATOM 701 CB ASP A 50 0.292 -9.212 -9.078 1.00 0.00 C ATOM 702 CG ASP A 50 0.423 -10.379 -10.059 1.00 0.00 C ATOM 703 OD1 ASP A 50 -0.497 -11.226 -10.060 1.00 0.00 O ATOM 704 OD2 ASP A 50 1.440 -10.398 -10.786 1.00 0.00 O ATOM 0 H ASP A 50 -0.538 -7.347 -7.643 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.711 -9.669 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.049 -8.310 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.260 -9.043 -8.607 1.00 0.00 H new ATOM 709 N ASP A 51 0.481 -10.096 -6.035 1.00 0.00 N ATOM 710 CA ASP A 51 1.016 -11.037 -5.065 1.00 0.00 C ATOM 711 C ASP A 51 0.171 -10.985 -3.791 1.00 0.00 C ATOM 712 O ASP A 51 -0.382 -9.940 -3.450 1.00 0.00 O ATOM 713 CB ASP A 51 2.457 -10.684 -4.692 1.00 0.00 C ATOM 714 CG ASP A 51 2.855 -9.230 -4.953 1.00 0.00 C ATOM 715 OD1 ASP A 51 2.600 -8.401 -4.053 1.00 0.00 O ATOM 716 OD2 ASP A 51 3.405 -8.980 -6.048 1.00 0.00 O ATOM 0 H ASP A 51 0.731 -9.122 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 51 0.993 -12.031 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.606 -10.901 -3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.131 -11.335 -5.249 1.00 0.00 H new ATOM 721 N PRO A 52 0.096 -12.156 -3.103 1.00 0.00 N ATOM 722 CA PRO A 52 -0.672 -12.253 -1.873 1.00 0.00 C ATOM 723 C PRO A 52 0.062 -11.578 -0.713 1.00 0.00 C ATOM 724 O PRO A 52 -0.508 -11.387 0.360 1.00 0.00 O ATOM 725 CB PRO A 52 -0.882 -13.743 -1.657 1.00 0.00 C ATOM 726 CG PRO A 52 0.165 -14.439 -2.512 1.00 0.00 C ATOM 727 CD PRO A 52 0.738 -13.413 -3.476 1.00 0.00 C ATOM 0 HA PRO A 52 -1.629 -11.734 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.765 -14.006 -0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.888 -14.042 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.954 -14.856 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.280 -15.270 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.822 -13.346 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.521 -13.677 -4.511 1.00 0.00 H new ATOM 735 N ASP A 53 1.317 -11.236 -0.968 1.00 0.00 N ATOM 736 CA ASP A 53 2.135 -10.587 0.042 1.00 0.00 C ATOM 737 C ASP A 53 2.021 -9.069 -0.114 1.00 0.00 C ATOM 738 O ASP A 53 2.925 -8.332 0.277 1.00 0.00 O ATOM 739 CB ASP A 53 3.608 -10.969 -0.113 1.00 0.00 C ATOM 740 CG ASP A 53 3.869 -12.460 -0.334 1.00 0.00 C ATOM 741 OD1 ASP A 53 3.465 -12.954 -1.409 1.00 0.00 O ATOM 742 OD2 ASP A 53 4.467 -13.073 0.577 1.00 0.00 O ATOM 0 H ASP A 53 1.787 -11.396 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 53 1.780 -10.909 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.025 -10.414 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.147 -10.649 0.779 1.00 0.00 H new ATOM 747 N PHE A 54 0.904 -8.647 -0.686 1.00 0.00 N ATOM 748 CA PHE A 54 0.660 -7.231 -0.899 1.00 0.00 C ATOM 749 C PHE A 54 0.090 -6.577 0.361 1.00 0.00 C ATOM 750 O PHE A 54 0.543 -5.508 0.769 1.00 0.00 O ATOM 751 CB PHE A 54 -0.368 -7.118 -2.027 1.00 0.00 C ATOM 752 CG PHE A 54 -1.181 -5.822 -2.000 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.575 -4.633 -2.259 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.511 -5.860 -1.717 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.330 -3.430 -2.234 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.266 -4.658 -1.692 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.659 -3.468 -1.951 1.00 0.00 C ATOM 0 H PHE A 54 0.157 -9.262 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 54 1.594 -6.727 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.148 -7.191 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.052 -7.965 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.481 -4.603 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.993 -6.805 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.848 -2.486 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.322 -4.688 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.233 -2.554 -1.932 1.00 0.00 H new ATOM 767 N ALA A 55 -0.894 -7.246 0.943 1.00 0.00 N ATOM 768 CA ALA A 55 -1.530 -6.743 2.149 1.00 0.00 C ATOM 769 C ALA A 55 -0.488 -6.637 3.264 1.00 0.00 C ATOM 770 O ALA A 55 -0.515 -5.696 4.056 1.00 0.00 O ATOM 771 CB ALA A 55 -2.698 -7.656 2.528 1.00 0.00 C ATOM 0 H ALA A 55 -1.267 -8.132 0.602 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.936 -5.745 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.176 -7.279 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.424 -7.675 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.328 -8.665 2.707 1.00 0.00 H new ATOM 777 N ASN A 56 0.407 -7.614 3.290 1.00 0.00 N ATOM 778 CA ASN A 56 1.456 -7.642 4.295 1.00 0.00 C ATOM 779 C ASN A 56 1.998 -6.226 4.499 1.00 0.00 C ATOM 780 O ASN A 56 1.897 -5.384 3.608 1.00 0.00 O ATOM 781 CB ASN A 56 2.618 -8.534 3.853 1.00 0.00 C ATOM 782 CG ASN A 56 2.108 -9.873 3.316 1.00 0.00 C ATOM 783 OD1 ASN A 56 0.923 -10.161 3.318 1.00 0.00 O ATOM 784 ND2 ASN A 56 3.068 -10.673 2.859 1.00 0.00 N ATOM 0 H ASN A 56 0.427 -8.392 2.631 1.00 0.00 H new ATOM 0 HA ASN A 56 1.029 -8.036 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.198 -8.026 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.289 -8.707 4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.831 -11.590 2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.041 -10.369 2.887 1.00 0.00 H new ATOM 791 N PRO A 57 2.575 -6.001 5.710 1.00 0.00 N ATOM 792 CA PRO A 57 3.133 -4.701 6.043 1.00 0.00 C ATOM 793 C PRO A 57 4.466 -4.477 5.326 1.00 0.00 C ATOM 794 O PRO A 57 4.934 -5.346 4.592 1.00 0.00 O ATOM 795 CB PRO A 57 3.266 -4.707 7.557 1.00 0.00 C ATOM 796 CG PRO A 57 3.216 -6.167 7.975 1.00 0.00 C ATOM 797 CD PRO A 57 2.712 -6.974 6.790 1.00 0.00 C ATOM 0 HA PRO A 57 2.502 -3.875 5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.202 -4.244 7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.460 -4.140 8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.205 -6.511 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.556 -6.296 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.412 -7.765 6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.759 -7.454 7.014 1.00 0.00 H new ATOM 805 N LEU A 58 5.040 -3.307 5.565 1.00 0.00 N ATOM 806 CA LEU A 58 6.311 -2.958 4.952 1.00 0.00 C ATOM 807 C LEU A 58 7.361 -4.003 5.333 1.00 0.00 C ATOM 808 O LEU A 58 7.279 -4.610 6.400 1.00 0.00 O ATOM 809 CB LEU A 58 6.707 -1.526 5.319 1.00 0.00 C ATOM 810 CG LEU A 58 6.461 -0.466 4.244 1.00 0.00 C ATOM 811 CD1 LEU A 58 5.602 0.678 4.787 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.782 0.038 3.658 1.00 0.00 C ATOM 0 H LEU A 58 4.649 -2.589 6.174 1.00 0.00 H new ATOM 0 HA LEU A 58 6.226 -2.973 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.161 -1.238 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.767 -1.517 5.574 1.00 0.00 H new ATOM 0 HG LEU A 58 5.903 -0.929 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.443 1.417 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.640 0.286 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.111 1.147 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.578 0.791 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.387 0.478 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.322 -0.795 3.209 1.00 0.00 H new ATOM 824 N ILE A 59 8.323 -4.182 4.439 1.00 0.00 N ATOM 825 CA ILE A 59 9.387 -5.144 4.669 1.00 0.00 C ATOM 826 C ILE A 59 10.277 -4.650 5.811 1.00 0.00 C ATOM 827 O ILE A 59 10.840 -3.559 5.738 1.00 0.00 O ATOM 828 CB ILE A 59 10.150 -5.418 3.371 1.00 0.00 C ATOM 829 CG1 ILE A 59 9.244 -6.086 2.334 1.00 0.00 C ATOM 830 CG2 ILE A 59 11.414 -6.237 3.640 1.00 0.00 C ATOM 831 CD1 ILE A 59 8.608 -5.046 1.410 1.00 0.00 C ATOM 0 H ILE A 59 8.387 -3.677 3.555 1.00 0.00 H new ATOM 0 HA ILE A 59 8.973 -6.104 4.978 1.00 0.00 H new ATOM 0 HB ILE A 59 10.469 -4.463 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.823 -6.796 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.463 -6.654 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.937 -6.418 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.066 -5.687 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.140 -7.190 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.969 -5.547 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.010 -4.352 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.391 -4.497 0.887 1.00 0.00 H new ATOM 843 N LEU A 60 10.376 -5.478 6.841 1.00 0.00 N ATOM 844 CA LEU A 60 11.188 -5.140 7.998 1.00 0.00 C ATOM 845 C LEU A 60 12.598 -4.767 7.535 1.00 0.00 C ATOM 846 O LEU A 60 13.088 -5.296 6.539 1.00 0.00 O ATOM 847 CB LEU A 60 11.157 -6.274 9.024 1.00 0.00 C ATOM 848 CG LEU A 60 12.316 -7.271 8.956 1.00 0.00 C ATOM 849 CD1 LEU A 60 13.609 -6.647 9.484 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.966 -8.569 9.688 1.00 0.00 C ATOM 0 H LEU A 60 9.907 -6.382 6.898 1.00 0.00 H new ATOM 0 HA LEU A 60 10.779 -4.268 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.140 -5.835 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.224 -6.823 8.901 1.00 0.00 H new ATOM 0 HG LEU A 60 12.486 -7.526 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.416 -7.377 9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.864 -5.774 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.470 -6.344 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.806 -9.260 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.754 -8.351 10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.088 -9.022 9.227 1.00 0.00 H new ATOM 862 N PRO A 61 13.226 -3.835 8.300 1.00 0.00 N ATOM 863 CA PRO A 61 14.570 -3.385 7.979 1.00 0.00 C ATOM 864 C PRO A 61 15.608 -4.445 8.356 1.00 0.00 C ATOM 865 O PRO A 61 16.203 -4.382 9.430 1.00 0.00 O ATOM 866 CB PRO A 61 14.744 -2.085 8.746 1.00 0.00 C ATOM 867 CG PRO A 61 13.675 -2.093 9.827 1.00 0.00 C ATOM 868 CD PRO A 61 12.677 -3.187 9.488 1.00 0.00 C ATOM 0 HA PRO A 61 14.715 -3.224 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.741 -2.019 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.627 -1.224 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.122 -2.274 10.804 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.177 -1.125 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.570 -3.894 10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.688 -2.774 9.292 1.00 0.00 H new ATOM 876 N GLY A 62 15.792 -5.395 7.450 1.00 0.00 N ATOM 877 CA GLY A 62 16.748 -6.466 7.674 1.00 0.00 C ATOM 878 C GLY A 62 18.165 -6.023 7.305 1.00 0.00 C ATOM 879 O GLY A 62 18.568 -4.902 7.610 1.00 0.00 O ATOM 0 H GLY A 62 15.296 -5.445 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 62 16.719 -6.771 8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.469 -7.337 7.081 1.00 0.00 H new ATOM 883 N SER A 63 18.883 -6.927 6.655 1.00 0.00 N ATOM 884 CA SER A 63 20.246 -6.644 6.241 1.00 0.00 C ATOM 885 C SER A 63 21.150 -6.519 7.470 1.00 0.00 C ATOM 886 O SER A 63 21.992 -7.382 7.716 1.00 0.00 O ATOM 887 CB SER A 63 20.313 -5.367 5.402 1.00 0.00 C ATOM 888 OG SER A 63 19.350 -5.367 4.351 1.00 0.00 O ATOM 0 H SER A 63 18.546 -7.857 6.405 1.00 0.00 H new ATOM 0 HA SER A 63 20.595 -7.471 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 63 20.148 -4.502 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.312 -5.264 4.978 1.00 0.00 H new ATOM 0 HG SER A 63 19.424 -4.534 3.840 1.00 0.00 H new ATOM 894 N SER A 64 20.946 -5.438 8.208 1.00 0.00 N ATOM 895 CA SER A 64 21.732 -5.190 9.404 1.00 0.00 C ATOM 896 C SER A 64 21.644 -6.391 10.347 1.00 0.00 C ATOM 897 O SER A 64 20.707 -6.498 11.137 1.00 0.00 O ATOM 898 CB SER A 64 21.263 -3.920 10.117 1.00 0.00 C ATOM 899 OG SER A 64 22.355 -3.087 10.498 1.00 0.00 O ATOM 0 H SER A 64 20.248 -4.724 8.001 1.00 0.00 H new ATOM 0 HA SER A 64 22.771 -5.045 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.593 -3.363 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.689 -4.192 11.002 1.00 0.00 H new ATOM 0 HG SER A 64 22.014 -2.286 10.948 1.00 0.00 H new ATOM 905 N GLY A 65 22.633 -7.266 10.234 1.00 0.00 N ATOM 906 CA GLY A 65 22.679 -8.456 11.067 1.00 0.00 C ATOM 907 C GLY A 65 21.834 -9.580 10.464 1.00 0.00 C ATOM 908 O GLY A 65 21.752 -9.714 9.244 1.00 0.00 O ATOM 0 H GLY A 65 23.409 -7.174 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 23.711 -8.790 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.315 -8.219 12.067 1.00 0.00 H new ATOM 912 N PRO A 66 21.211 -10.380 11.370 1.00 0.00 N ATOM 913 CA PRO A 66 20.375 -11.488 10.940 1.00 0.00 C ATOM 914 C PRO A 66 19.031 -10.987 10.407 1.00 0.00 C ATOM 915 O PRO A 66 18.511 -9.977 10.878 1.00 0.00 O ATOM 916 CB PRO A 66 20.234 -12.374 12.168 1.00 0.00 C ATOM 917 CG PRO A 66 20.604 -11.501 13.356 1.00 0.00 C ATOM 918 CD PRO A 66 21.285 -10.251 12.823 1.00 0.00 C ATOM 0 HA PRO A 66 20.810 -12.045 10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 66 19.216 -12.751 12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 66 20.891 -13.242 12.101 1.00 0.00 H new ATOM 0 HG2 PRO A 66 19.714 -11.237 13.927 1.00 0.00 H new ATOM 0 HG3 PRO A 66 21.269 -12.039 14.032 1.00 0.00 H new ATOM 0 HD2 PRO A 66 20.780 -9.348 13.167 1.00 0.00 H new ATOM 0 HD3 PRO A 66 22.319 -10.188 13.163 1.00 0.00 H new ATOM 926 N GLY A 67 18.509 -11.717 9.433 1.00 0.00 N ATOM 927 CA GLY A 67 17.236 -11.359 8.830 1.00 0.00 C ATOM 928 C GLY A 67 16.980 -12.177 7.563 1.00 0.00 C ATOM 929 O GLY A 67 17.434 -13.314 7.451 1.00 0.00 O ATOM 0 H GLY A 67 18.944 -12.555 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.431 -11.528 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.230 -10.296 8.588 1.00 0.00 H new ATOM 933 N SER A 68 16.253 -11.565 6.639 1.00 0.00 N ATOM 934 CA SER A 68 15.931 -12.222 5.383 1.00 0.00 C ATOM 935 C SER A 68 15.054 -13.448 5.644 1.00 0.00 C ATOM 936 O SER A 68 15.413 -14.315 6.440 1.00 0.00 O ATOM 937 CB SER A 68 17.201 -12.628 4.633 1.00 0.00 C ATOM 938 OG SER A 68 16.908 -13.340 3.434 1.00 0.00 O ATOM 0 H SER A 68 15.878 -10.621 6.735 1.00 0.00 H new ATOM 0 HA SER A 68 15.382 -11.517 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.781 -11.737 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.822 -13.248 5.280 1.00 0.00 H new ATOM 0 HG SER A 68 17.744 -13.580 2.983 1.00 0.00 H new ATOM 944 N SER A 69 13.920 -13.481 4.960 1.00 0.00 N ATOM 945 CA SER A 69 12.989 -14.586 5.107 1.00 0.00 C ATOM 946 C SER A 69 13.013 -15.462 3.853 1.00 0.00 C ATOM 947 O SER A 69 13.171 -14.958 2.743 1.00 0.00 O ATOM 948 CB SER A 69 11.570 -14.079 5.373 1.00 0.00 C ATOM 949 OG SER A 69 11.199 -14.222 6.742 1.00 0.00 O ATOM 0 H SER A 69 13.625 -12.760 4.302 1.00 0.00 H new ATOM 0 HA SER A 69 13.300 -15.183 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.500 -13.030 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.866 -14.628 4.747 1.00 0.00 H new ATOM 0 HG SER A 69 10.288 -13.886 6.871 1.00 0.00 H new ATOM 955 N GLY A 70 12.853 -16.759 4.073 1.00 0.00 N ATOM 956 CA GLY A 70 12.855 -17.710 2.974 1.00 0.00 C ATOM 957 C GLY A 70 14.187 -17.676 2.222 1.00 0.00 C ATOM 958 O GLY A 70 14.913 -16.685 2.282 1.00 0.00 O ATOM 0 H GLY A 70 12.721 -17.173 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.675 -18.714 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.040 -17.480 2.288 1.00 0.00 H new ATOM 962 N PRO A 71 14.474 -18.800 1.511 1.00 0.00 N ATOM 963 CA PRO A 71 15.706 -18.908 0.748 1.00 0.00 C ATOM 964 C PRO A 71 15.631 -18.075 -0.533 1.00 0.00 C ATOM 965 O PRO A 71 15.810 -18.601 -1.631 1.00 0.00 O ATOM 966 CB PRO A 71 15.874 -20.395 0.481 1.00 0.00 C ATOM 967 CG PRO A 71 14.503 -21.015 0.698 1.00 0.00 C ATOM 968 CD PRO A 71 13.638 -19.992 1.417 1.00 0.00 C ATOM 0 HA PRO A 71 16.569 -18.513 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.226 -20.572 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.611 -20.832 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.054 -21.292 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.586 -21.928 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.721 -19.790 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.343 -20.347 2.404 1.00 0.00 H new ATOM 976 N SER A 72 15.367 -16.790 -0.351 1.00 0.00 N ATOM 977 CA SER A 72 15.267 -15.879 -1.479 1.00 0.00 C ATOM 978 C SER A 72 14.141 -16.325 -2.414 1.00 0.00 C ATOM 979 O SER A 72 13.649 -17.448 -2.306 1.00 0.00 O ATOM 980 CB SER A 72 16.591 -15.800 -2.242 1.00 0.00 C ATOM 981 OG SER A 72 17.180 -14.506 -2.156 1.00 0.00 O ATOM 0 H SER A 72 15.219 -16.357 0.561 1.00 0.00 H new ATOM 0 HA SER A 72 15.040 -14.884 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.284 -16.541 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.422 -16.053 -3.289 1.00 0.00 H new ATOM 0 HG SER A 72 18.024 -14.497 -2.654 1.00 0.00 H new ATOM 987 N SER A 73 13.766 -15.424 -3.309 1.00 0.00 N ATOM 988 CA SER A 73 12.707 -15.711 -4.262 1.00 0.00 C ATOM 989 C SER A 73 13.228 -15.538 -5.691 1.00 0.00 C ATOM 990 O SER A 73 13.482 -14.418 -6.131 1.00 0.00 O ATOM 991 CB SER A 73 11.495 -14.809 -4.026 1.00 0.00 C ATOM 992 OG SER A 73 10.273 -15.453 -4.378 1.00 0.00 O ATOM 0 H SER A 73 14.176 -14.494 -3.395 1.00 0.00 H new ATOM 0 HA SER A 73 12.390 -16.744 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.461 -14.515 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.604 -13.895 -4.610 1.00 0.00 H new ATOM 0 HG SER A 73 9.523 -14.845 -4.211 1.00 0.00 H new ATOM 998 N GLY A 74 13.371 -16.664 -6.375 1.00 0.00 N ATOM 999 CA GLY A 74 13.856 -16.651 -7.744 1.00 0.00 C ATOM 1000 C GLY A 74 13.744 -18.039 -8.379 1.00 0.00 C ATOM 1001 O GLY A 74 14.734 -18.585 -8.864 1.00 0.00 O ATOM 0 H GLY A 74 13.159 -17.591 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.283 -15.932 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.895 -16.322 -7.762 1.00 0.00 H new TER 1005 GLY A 74