USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 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 30 HIS : no HD1:sc= -0.0553 X(o=-0.11,f=-0.0007) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -0.0531 X(o=-0.11,f=-0.0013) USER MOD Set 2.1: A 21 MET CE :methyl -178:sc= -0.804 (180deg=-0.332) USER MOD Set 2.2: A 26 CYS SG : rot -45:sc= -4.51! USER MOD Single : A 1 MET CE :methyl -163:sc= -0.1 (180deg=-0.475) USER MOD Single : A 1 MET N :NH3+ -118:sc= 1.6 (180deg=0.0641!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 6 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.19) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0325 X(o=-0.032,f=-0.012) USER MOD Single : A 14 SER OG : rot 130:sc= -0.244 USER MOD Single : A 16 SER OG : rot 129:sc= 0.306 USER MOD Single : A 22 THR OG1 : rot 66:sc= 1.01 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc=-0.00585 F(o=-1.5!,f=-0.0058) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 63 GLN : amide:sc= -0.398 K(o=-0.4,f=-4.1!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.231 K(o=-0.23,f=-1.2) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.937 10.140 -0.331 1.00 0.00 N ATOM 2 CA MET A 1 7.364 9.463 -1.576 1.00 0.00 C ATOM 3 C MET A 1 6.190 9.338 -2.554 1.00 0.00 C ATOM 4 O MET A 1 5.074 9.018 -2.145 1.00 0.00 O ATOM 5 CB MET A 1 7.955 8.065 -1.256 1.00 0.00 C ATOM 6 CG MET A 1 6.998 7.085 -0.555 1.00 0.00 C ATOM 7 SD MET A 1 6.529 7.619 1.103 1.00 0.00 S ATOM 8 CE MET A 1 8.104 7.511 1.953 1.00 0.00 C ATOM 0 H1 MET A 1 7.470 11.026 -0.217 1.00 0.00 H new ATOM 0 H2 MET A 1 5.920 10.352 -0.382 1.00 0.00 H new ATOM 0 H3 MET A 1 7.120 9.519 0.483 1.00 0.00 H new ATOM 0 HA MET A 1 8.139 10.068 -2.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.293 7.611 -2.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.836 8.197 -0.628 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.099 6.968 -1.161 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.471 6.105 -0.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.937 7.512 3.030 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.610 6.590 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.723 8.366 1.681 1.00 0.00 H new ATOM 20 N LEU A 2 6.443 9.593 -3.851 1.00 0.00 N ATOM 21 CA LEU A 2 5.418 9.442 -4.899 1.00 0.00 C ATOM 22 C LEU A 2 5.362 7.959 -5.316 1.00 0.00 C ATOM 23 O LEU A 2 6.381 7.383 -5.702 1.00 0.00 O ATOM 24 CB LEU A 2 5.730 10.401 -6.097 1.00 0.00 C ATOM 25 CG LEU A 2 4.538 10.784 -7.050 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.909 11.998 -7.936 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.071 9.593 -7.926 1.00 0.00 C ATOM 0 H LEU A 2 7.350 9.905 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 2 4.433 9.725 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.145 11.323 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.510 9.940 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 2 3.700 11.058 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.069 12.244 -8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.140 12.854 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.779 11.752 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.247 9.912 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.899 9.251 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.738 8.778 -7.284 1.00 0.00 H new ATOM 39 N VAL A 3 4.169 7.350 -5.194 1.00 0.00 N ATOM 40 CA VAL A 3 3.938 5.919 -5.473 1.00 0.00 C ATOM 41 C VAL A 3 2.602 5.725 -6.219 1.00 0.00 C ATOM 42 O VAL A 3 1.635 6.464 -5.989 1.00 0.00 O ATOM 43 CB VAL A 3 3.942 5.062 -4.141 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.365 4.950 -3.546 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.955 5.635 -3.086 1.00 0.00 C ATOM 0 H VAL A 3 3.327 7.843 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 3 4.755 5.569 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 3 3.604 4.061 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.332 4.356 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.025 4.469 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.743 5.946 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.986 5.020 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.241 6.657 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.944 5.631 -3.493 1.00 0.00 H new ATOM 55 N THR A 4 2.572 4.738 -7.126 1.00 0.00 N ATOM 56 CA THR A 4 1.367 4.389 -7.890 1.00 0.00 C ATOM 57 C THR A 4 0.414 3.550 -7.020 1.00 0.00 C ATOM 58 O THR A 4 0.649 2.365 -6.810 1.00 0.00 O ATOM 59 CB THR A 4 1.737 3.604 -9.189 1.00 0.00 C ATOM 60 OG1 THR A 4 2.778 4.298 -9.889 1.00 0.00 O ATOM 61 CG2 THR A 4 0.522 3.430 -10.119 1.00 0.00 C ATOM 0 H THR A 4 3.382 4.160 -7.350 1.00 0.00 H new ATOM 0 HA THR A 4 0.867 5.313 -8.180 1.00 0.00 H new ATOM 0 HB THR A 4 2.077 2.612 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.011 3.804 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.822 2.879 -11.010 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.260 2.878 -9.597 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.142 4.410 -10.409 1.00 0.00 H new ATOM 69 N ILE A 5 -0.643 4.181 -6.494 1.00 0.00 N ATOM 70 CA ILE A 5 -1.619 3.517 -5.617 1.00 0.00 C ATOM 71 C ILE A 5 -2.886 3.169 -6.412 1.00 0.00 C ATOM 72 O ILE A 5 -3.670 4.061 -6.767 1.00 0.00 O ATOM 73 CB ILE A 5 -1.995 4.416 -4.390 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.706 4.972 -3.712 1.00 0.00 C ATOM 75 CG2 ILE A 5 -2.870 3.632 -3.367 1.00 0.00 C ATOM 76 CD1 ILE A 5 -0.956 6.110 -2.760 1.00 0.00 C ATOM 0 H ILE A 5 -0.847 5.166 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.160 2.604 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.586 5.258 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.214 4.163 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.015 5.305 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.116 4.281 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.789 3.302 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.318 2.764 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.010 6.440 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.419 6.938 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.620 5.778 -1.962 1.00 0.00 H new ATOM 88 N ASN A 6 -3.036 1.865 -6.719 1.00 0.00 N ATOM 89 CA ASN A 6 -4.244 1.285 -7.346 1.00 0.00 C ATOM 90 C ASN A 6 -4.507 1.932 -8.735 1.00 0.00 C ATOM 91 O ASN A 6 -5.642 2.249 -9.116 1.00 0.00 O ATOM 92 CB ASN A 6 -5.444 1.393 -6.350 1.00 0.00 C ATOM 93 CG ASN A 6 -6.700 0.646 -6.805 1.00 0.00 C ATOM 94 OD1 ASN A 6 -7.633 1.232 -7.355 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.725 -0.657 -6.600 1.00 0.00 N ATOM 0 H ASN A 6 -2.310 1.172 -6.536 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.099 0.224 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.134 1.004 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.691 2.445 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.531 -1.205 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.938 -1.116 -6.142 1.00 0.00 H new ATOM 102 N GLY A 7 -3.404 2.117 -9.485 1.00 0.00 N ATOM 103 CA GLY A 7 -3.445 2.676 -10.836 1.00 0.00 C ATOM 104 C GLY A 7 -3.214 4.183 -10.892 1.00 0.00 C ATOM 105 O GLY A 7 -2.862 4.712 -11.952 1.00 0.00 O ATOM 0 H GLY A 7 -2.464 1.881 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.690 2.180 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.414 2.451 -11.282 1.00 0.00 H new ATOM 109 N GLU A 8 -3.380 4.873 -9.749 1.00 0.00 N ATOM 110 CA GLU A 8 -3.247 6.342 -9.653 1.00 0.00 C ATOM 111 C GLU A 8 -1.966 6.707 -8.888 1.00 0.00 C ATOM 112 O GLU A 8 -1.852 6.393 -7.712 1.00 0.00 O ATOM 113 CB GLU A 8 -4.496 6.964 -8.944 1.00 0.00 C ATOM 114 CG GLU A 8 -5.748 7.142 -9.836 1.00 0.00 C ATOM 115 CD GLU A 8 -6.343 5.834 -10.389 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.937 5.075 -9.599 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.226 5.562 -11.605 1.00 0.00 O ATOM 0 H GLU A 8 -3.611 4.427 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.185 6.750 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.762 6.333 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.216 7.938 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.516 7.658 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.490 7.789 -10.674 1.00 0.00 H new ATOM 124 N GLN A 9 -1.021 7.380 -9.568 1.00 0.00 N ATOM 125 CA GLN A 9 0.207 7.900 -8.932 1.00 0.00 C ATOM 126 C GLN A 9 -0.143 9.086 -8.016 1.00 0.00 C ATOM 127 O GLN A 9 -0.889 9.982 -8.423 1.00 0.00 O ATOM 128 CB GLN A 9 1.231 8.340 -10.008 1.00 0.00 C ATOM 129 CG GLN A 9 1.702 7.212 -10.939 1.00 0.00 C ATOM 130 CD GLN A 9 2.671 7.695 -12.019 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.889 7.700 -11.824 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.133 8.113 -13.153 1.00 0.00 N ATOM 0 H GLN A 9 -1.084 7.579 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 9 0.656 7.107 -8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.787 9.131 -10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.100 8.770 -9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.186 6.436 -10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.834 6.755 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.121 8.093 -13.275 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.731 8.455 -13.905 1.00 0.00 H new ATOM 141 N ARG A 10 0.370 9.061 -6.777 1.00 0.00 N ATOM 142 CA ARG A 10 0.158 10.135 -5.791 1.00 0.00 C ATOM 143 C ARG A 10 1.334 10.174 -4.807 1.00 0.00 C ATOM 144 O ARG A 10 1.856 9.118 -4.419 1.00 0.00 O ATOM 145 CB ARG A 10 -1.183 9.916 -5.038 1.00 0.00 C ATOM 146 CG ARG A 10 -1.529 11.013 -3.996 1.00 0.00 C ATOM 147 CD ARG A 10 -2.889 10.792 -3.313 1.00 0.00 C ATOM 148 NE ARG A 10 -2.954 9.489 -2.623 1.00 0.00 N ATOM 149 CZ ARG A 10 -2.644 9.274 -1.337 1.00 0.00 C ATOM 150 NH1 ARG A 10 -2.224 10.259 -0.555 1.00 0.00 N ATOM 151 NH2 ARG A 10 -2.751 8.063 -0.835 1.00 0.00 N ATOM 0 H ARG A 10 0.945 8.294 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 10 0.104 11.092 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.990 9.861 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.146 8.952 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.748 11.042 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.531 11.985 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.069 11.592 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.683 10.848 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.260 8.685 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.131 11.203 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.994 10.072 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.069 7.293 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.516 7.894 0.143 1.00 0.00 H new ATOM 165 N GLU A 11 1.736 11.392 -4.390 1.00 0.00 N ATOM 166 CA GLU A 11 2.795 11.572 -3.390 1.00 0.00 C ATOM 167 C GLU A 11 2.196 11.442 -1.983 1.00 0.00 C ATOM 168 O GLU A 11 1.210 12.113 -1.653 1.00 0.00 O ATOM 169 CB GLU A 11 3.524 12.931 -3.559 1.00 0.00 C ATOM 170 CG GLU A 11 4.753 13.099 -2.626 1.00 0.00 C ATOM 171 CD GLU A 11 5.515 14.419 -2.846 1.00 0.00 C ATOM 172 OE1 GLU A 11 6.434 14.461 -3.693 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.191 15.423 -2.180 1.00 0.00 O ATOM 0 H GLU A 11 1.338 12.265 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 11 3.543 10.793 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.848 13.033 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.818 13.739 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.421 13.049 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.436 12.264 -2.783 1.00 0.00 H new ATOM 180 N VAL A 12 2.796 10.560 -1.163 1.00 0.00 N ATOM 181 CA VAL A 12 2.323 10.243 0.194 1.00 0.00 C ATOM 182 C VAL A 12 3.398 10.568 1.244 1.00 0.00 C ATOM 183 O VAL A 12 4.577 10.764 0.921 1.00 0.00 O ATOM 184 CB VAL A 12 1.910 8.725 0.316 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.796 8.387 -0.688 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.123 7.768 0.149 1.00 0.00 C ATOM 0 H VAL A 12 3.633 10.042 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 12 1.445 10.862 0.381 1.00 0.00 H new ATOM 0 HB VAL A 12 1.527 8.573 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.524 7.336 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.077 9.008 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.150 8.577 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.787 6.735 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.572 7.917 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.862 7.979 0.922 1.00 0.00 H new ATOM 196 N GLN A 13 2.954 10.629 2.500 1.00 0.00 N ATOM 197 CA GLN A 13 3.817 10.744 3.690 1.00 0.00 C ATOM 198 C GLN A 13 3.923 9.371 4.393 1.00 0.00 C ATOM 199 O GLN A 13 4.613 9.237 5.411 1.00 0.00 O ATOM 200 CB GLN A 13 3.225 11.815 4.649 1.00 0.00 C ATOM 201 CG GLN A 13 3.072 13.218 4.023 1.00 0.00 C ATOM 202 CD GLN A 13 4.408 13.848 3.603 1.00 0.00 C ATOM 203 OE1 GLN A 13 5.051 14.547 4.386 1.00 0.00 O ATOM 204 NE2 GLN A 13 4.836 13.606 2.367 1.00 0.00 N ATOM 0 H GLN A 13 1.961 10.600 2.730 1.00 0.00 H new ATOM 0 HA GLN A 13 4.820 11.054 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.248 11.476 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.865 11.891 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.421 13.150 3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.578 13.875 4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.281 13.023 1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.719 14.004 2.046 1.00 0.00 H new ATOM 213 N SER A 14 3.207 8.369 3.835 1.00 0.00 N ATOM 214 CA SER A 14 3.204 6.985 4.321 1.00 0.00 C ATOM 215 C SER A 14 4.578 6.324 4.112 1.00 0.00 C ATOM 216 O SER A 14 4.909 5.900 3.005 1.00 0.00 O ATOM 217 CB SER A 14 2.099 6.173 3.600 1.00 0.00 C ATOM 218 OG SER A 14 0.816 6.729 3.845 1.00 0.00 O ATOM 0 H SER A 14 2.608 8.509 3.022 1.00 0.00 H new ATOM 0 HA SER A 14 2.996 6.997 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.294 6.159 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.122 5.138 3.942 1.00 0.00 H new ATOM 0 HG SER A 14 0.343 6.848 2.995 1.00 0.00 H new ATOM 224 N ALA A 15 5.382 6.281 5.186 1.00 0.00 N ATOM 225 CA ALA A 15 6.673 5.575 5.196 1.00 0.00 C ATOM 226 C ALA A 15 6.467 4.056 5.394 1.00 0.00 C ATOM 227 O ALA A 15 7.391 3.271 5.183 1.00 0.00 O ATOM 228 CB ALA A 15 7.568 6.160 6.294 1.00 0.00 C ATOM 0 H ALA A 15 5.156 6.734 6.071 1.00 0.00 H new ATOM 0 HA ALA A 15 7.164 5.714 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.524 5.637 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.736 7.220 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.082 6.040 7.262 1.00 0.00 H new ATOM 234 N SER A 16 5.247 3.660 5.820 1.00 0.00 N ATOM 235 CA SER A 16 4.852 2.251 6.002 1.00 0.00 C ATOM 236 C SER A 16 3.545 1.976 5.243 1.00 0.00 C ATOM 237 O SER A 16 2.739 2.891 5.004 1.00 0.00 O ATOM 238 CB SER A 16 4.691 1.927 7.505 1.00 0.00 C ATOM 239 OG SER A 16 4.275 0.586 7.713 1.00 0.00 O ATOM 0 H SER A 16 4.503 4.319 6.049 1.00 0.00 H new ATOM 0 HA SER A 16 5.633 1.607 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.638 2.097 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.962 2.606 7.947 1.00 0.00 H new ATOM 0 HG SER A 16 4.873 0.154 8.358 1.00 0.00 H new ATOM 245 N VAL A 17 3.349 0.698 4.866 1.00 0.00 N ATOM 246 CA VAL A 17 2.169 0.241 4.116 1.00 0.00 C ATOM 247 C VAL A 17 0.893 0.387 4.964 1.00 0.00 C ATOM 248 O VAL A 17 -0.148 0.800 4.449 1.00 0.00 O ATOM 249 CB VAL A 17 2.360 -1.239 3.615 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.093 -1.781 2.910 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.594 -1.344 2.683 1.00 0.00 C ATOM 0 H VAL A 17 4.011 -0.049 5.076 1.00 0.00 H new ATOM 0 HA VAL A 17 2.057 0.875 3.236 1.00 0.00 H new ATOM 0 HB VAL A 17 2.531 -1.861 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.270 -2.805 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.254 -1.763 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.862 -1.157 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.710 -2.374 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.454 -0.694 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.488 -1.037 3.227 1.00 0.00 H new ATOM 261 N ALA A 18 1.001 0.097 6.276 1.00 0.00 N ATOM 262 CA ALA A 18 -0.128 0.263 7.224 1.00 0.00 C ATOM 263 C ALA A 18 -0.565 1.731 7.302 1.00 0.00 C ATOM 264 O ALA A 18 -1.759 2.027 7.336 1.00 0.00 O ATOM 265 CB ALA A 18 0.241 -0.248 8.619 1.00 0.00 C ATOM 0 H ALA A 18 1.857 -0.253 6.707 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.961 -0.331 6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.606 -0.113 9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.495 -1.306 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.097 0.311 8.997 1.00 0.00 H new ATOM 271 N ALA A 19 0.436 2.635 7.306 1.00 0.00 N ATOM 272 CA ALA A 19 0.221 4.095 7.316 1.00 0.00 C ATOM 273 C ALA A 19 -0.625 4.545 6.109 1.00 0.00 C ATOM 274 O ALA A 19 -1.524 5.388 6.252 1.00 0.00 O ATOM 275 CB ALA A 19 1.577 4.819 7.343 1.00 0.00 C ATOM 0 H ALA A 19 1.421 2.370 7.302 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.336 4.358 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.414 5.897 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.126 4.529 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.153 4.545 6.459 1.00 0.00 H new ATOM 281 N LEU A 20 -0.335 3.949 4.936 1.00 0.00 N ATOM 282 CA LEU A 20 -1.082 4.221 3.690 1.00 0.00 C ATOM 283 C LEU A 20 -2.545 3.754 3.800 1.00 0.00 C ATOM 284 O LEU A 20 -3.476 4.497 3.461 1.00 0.00 O ATOM 285 CB LEU A 20 -0.372 3.553 2.479 1.00 0.00 C ATOM 286 CG LEU A 20 -0.939 3.928 1.071 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.926 5.461 0.857 1.00 0.00 C ATOM 288 CD2 LEU A 20 -0.163 3.207 -0.054 1.00 0.00 C ATOM 0 H LEU A 20 0.418 3.270 4.824 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.096 5.299 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.684 3.820 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.431 2.471 2.598 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.975 3.591 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.325 5.694 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.540 5.940 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.097 5.830 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.580 3.487 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.887 3.496 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.248 2.128 0.079 1.00 0.00 H new ATOM 300 N MET A 21 -2.725 2.531 4.320 1.00 0.00 N ATOM 301 CA MET A 21 -4.058 1.914 4.488 1.00 0.00 C ATOM 302 C MET A 21 -4.876 2.662 5.571 1.00 0.00 C ATOM 303 O MET A 21 -6.100 2.627 5.554 1.00 0.00 O ATOM 304 CB MET A 21 -3.925 0.399 4.831 1.00 0.00 C ATOM 305 CG MET A 21 -3.040 -0.397 3.854 1.00 0.00 C ATOM 306 SD MET A 21 -3.638 -0.389 2.148 1.00 0.00 S ATOM 307 CE MET A 21 -4.957 -1.602 2.210 1.00 0.00 C ATOM 0 H MET A 21 -1.956 1.940 4.636 1.00 0.00 H new ATOM 0 HA MET A 21 -4.596 1.998 3.544 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.515 0.301 5.836 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.920 -0.046 4.847 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.031 0.014 3.876 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.972 -1.429 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.388 -1.722 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.557 -2.557 2.550 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.729 -1.265 2.902 1.00 0.00 H new ATOM 317 N THR A 22 -4.187 3.338 6.513 1.00 0.00 N ATOM 318 CA THR A 22 -4.841 4.178 7.540 1.00 0.00 C ATOM 319 C THR A 22 -5.337 5.504 6.926 1.00 0.00 C ATOM 320 O THR A 22 -6.478 5.922 7.174 1.00 0.00 O ATOM 321 CB THR A 22 -3.879 4.482 8.734 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.385 3.254 9.285 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.562 5.300 9.852 1.00 0.00 C ATOM 0 H THR A 22 -3.170 3.318 6.584 1.00 0.00 H new ATOM 0 HA THR A 22 -5.694 3.615 7.920 1.00 0.00 H new ATOM 0 HB THR A 22 -3.059 5.081 8.338 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.816 2.805 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.849 5.483 10.656 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.906 6.252 9.448 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.414 4.743 10.242 1.00 0.00 H new ATOM 331 N GLU A 23 -4.465 6.139 6.111 1.00 0.00 N ATOM 332 CA GLU A 23 -4.759 7.422 5.427 1.00 0.00 C ATOM 333 C GLU A 23 -6.014 7.292 4.543 1.00 0.00 C ATOM 334 O GLU A 23 -6.928 8.128 4.591 1.00 0.00 O ATOM 335 CB GLU A 23 -3.545 7.849 4.545 1.00 0.00 C ATOM 336 CG GLU A 23 -3.804 9.080 3.632 1.00 0.00 C ATOM 337 CD GLU A 23 -2.675 9.376 2.631 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.143 8.426 2.013 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.313 10.563 2.435 1.00 0.00 O ATOM 0 H GLU A 23 -3.534 5.776 5.907 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.941 8.181 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.700 8.069 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.254 7.005 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.730 8.919 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.956 9.958 4.260 1.00 0.00 H new ATOM 346 N LEU A 24 -6.036 6.211 3.760 1.00 0.00 N ATOM 347 CA LEU A 24 -7.082 5.938 2.764 1.00 0.00 C ATOM 348 C LEU A 24 -8.310 5.253 3.383 1.00 0.00 C ATOM 349 O LEU A 24 -9.253 4.918 2.657 1.00 0.00 O ATOM 350 CB LEU A 24 -6.467 5.065 1.640 1.00 0.00 C ATOM 351 CG LEU A 24 -5.245 5.710 0.901 1.00 0.00 C ATOM 352 CD1 LEU A 24 -4.599 4.724 -0.094 1.00 0.00 C ATOM 353 CD2 LEU A 24 -5.652 7.036 0.211 1.00 0.00 C ATOM 0 H LEU A 24 -5.318 5.488 3.799 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.437 6.884 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.153 4.113 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.242 4.844 0.906 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.490 5.946 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.755 5.206 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.250 3.842 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.335 4.427 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.786 7.464 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.438 6.840 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.018 7.738 0.960 1.00 0.00 H new ATOM 365 N ASP A 25 -8.271 5.033 4.720 1.00 0.00 N ATOM 366 CA ASP A 25 -9.347 4.358 5.497 1.00 0.00 C ATOM 367 C ASP A 25 -9.555 2.901 5.013 1.00 0.00 C ATOM 368 O ASP A 25 -10.566 2.258 5.310 1.00 0.00 O ATOM 369 CB ASP A 25 -10.682 5.166 5.461 1.00 0.00 C ATOM 370 CG ASP A 25 -10.522 6.615 5.959 1.00 0.00 C ATOM 371 OD1 ASP A 25 -10.385 6.820 7.188 1.00 0.00 O ATOM 372 OD2 ASP A 25 -10.506 7.553 5.128 1.00 0.00 O ATOM 0 H ASP A 25 -7.483 5.322 5.299 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.023 4.321 6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.065 5.179 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.425 4.657 6.074 1.00 0.00 H new ATOM 377 N CYS A 26 -8.520 2.371 4.342 1.00 0.00 N ATOM 378 CA CYS A 26 -8.552 1.094 3.630 1.00 0.00 C ATOM 379 C CYS A 26 -8.039 -0.060 4.522 1.00 0.00 C ATOM 380 O CYS A 26 -7.816 -1.174 4.042 1.00 0.00 O ATOM 381 CB CYS A 26 -7.686 1.235 2.360 1.00 0.00 C ATOM 382 SG CYS A 26 -7.801 -0.164 1.233 1.00 0.00 S ATOM 0 H CYS A 26 -7.614 2.836 4.281 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.579 0.849 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.982 2.140 1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.645 1.365 2.656 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.733 -1.272 1.909 1.00 0.00 H new ATOM 388 N THR A 27 -7.863 0.213 5.823 1.00 0.00 N ATOM 389 CA THR A 27 -7.420 -0.794 6.800 1.00 0.00 C ATOM 390 C THR A 27 -8.619 -1.334 7.593 1.00 0.00 C ATOM 391 O THR A 27 -8.603 -2.482 8.048 1.00 0.00 O ATOM 392 CB THR A 27 -6.330 -0.221 7.774 1.00 0.00 C ATOM 393 OG1 THR A 27 -5.895 -1.231 8.693 1.00 0.00 O ATOM 394 CG2 THR A 27 -6.799 1.008 8.567 1.00 0.00 C ATOM 0 H THR A 27 -8.023 1.136 6.227 1.00 0.00 H new ATOM 0 HA THR A 27 -6.965 -1.614 6.245 1.00 0.00 H new ATOM 0 HB THR A 27 -5.505 0.099 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.215 -0.858 9.292 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.995 1.349 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.069 1.806 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.667 0.742 9.171 1.00 0.00 H new ATOM 402 N ASP A 28 -9.662 -0.494 7.711 1.00 0.00 N ATOM 403 CA ASP A 28 -10.853 -0.769 8.535 1.00 0.00 C ATOM 404 C ASP A 28 -11.622 -2.024 8.064 1.00 0.00 C ATOM 405 O ASP A 28 -11.768 -2.989 8.822 1.00 0.00 O ATOM 406 CB ASP A 28 -11.782 0.473 8.524 1.00 0.00 C ATOM 407 CG ASP A 28 -13.083 0.267 9.316 1.00 0.00 C ATOM 408 OD1 ASP A 28 -13.049 0.302 10.562 1.00 0.00 O ATOM 409 OD2 ASP A 28 -14.141 0.051 8.691 1.00 0.00 O ATOM 0 H ASP A 28 -9.703 0.405 7.232 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.516 -0.973 9.551 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.243 1.325 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.029 0.724 7.492 1.00 0.00 H new ATOM 414 N GLY A 29 -12.122 -1.983 6.815 1.00 0.00 N ATOM 415 CA GLY A 29 -12.918 -3.078 6.250 1.00 0.00 C ATOM 416 C GLY A 29 -12.065 -4.253 5.777 1.00 0.00 C ATOM 417 O GLY A 29 -10.864 -4.307 6.070 1.00 0.00 O ATOM 0 H GLY A 29 -11.985 -1.198 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.627 -3.429 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.503 -2.700 5.411 1.00 0.00 H new ATOM 421 N HIS A 30 -12.675 -5.180 5.008 1.00 0.00 N ATOM 422 CA HIS A 30 -12.008 -6.424 4.544 1.00 0.00 C ATOM 423 C HIS A 30 -11.241 -6.164 3.231 1.00 0.00 C ATOM 424 O HIS A 30 -11.574 -6.715 2.168 1.00 0.00 O ATOM 425 CB HIS A 30 -13.043 -7.566 4.351 1.00 0.00 C ATOM 426 CG HIS A 30 -13.868 -7.905 5.562 1.00 0.00 C ATOM 427 ND1 HIS A 30 -13.714 -9.067 6.278 1.00 0.00 N ATOM 428 CD2 HIS A 30 -14.880 -7.236 6.160 1.00 0.00 C ATOM 429 CE1 HIS A 30 -14.590 -9.097 7.257 1.00 0.00 C ATOM 430 NE2 HIS A 30 -15.309 -8.000 7.211 1.00 0.00 N ATOM 0 H HIS A 30 -13.640 -5.091 4.690 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.296 -6.736 5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.717 -7.289 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.513 -8.463 4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.276 -6.276 5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.700 -9.892 7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -16.063 -7.757 7.853 1.00 0.00 H new ATOM 439 N TYR A 31 -10.230 -5.294 3.315 1.00 0.00 N ATOM 440 CA TYR A 31 -9.385 -4.925 2.170 1.00 0.00 C ATOM 441 C TYR A 31 -8.002 -5.574 2.304 1.00 0.00 C ATOM 442 O TYR A 31 -7.644 -6.123 3.353 1.00 0.00 O ATOM 443 CB TYR A 31 -9.228 -3.386 2.081 1.00 0.00 C ATOM 444 CG TYR A 31 -10.549 -2.605 2.093 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.413 -2.624 0.998 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.917 -1.833 3.197 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.596 -1.914 1.013 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.095 -1.123 3.215 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.930 -1.160 2.121 1.00 0.00 C ATOM 450 OH TYR A 31 -14.107 -0.447 2.139 1.00 0.00 O ATOM 0 H TYR A 31 -9.972 -4.823 4.182 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.867 -5.284 1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.614 -3.048 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.686 -3.142 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.152 -3.204 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.263 -1.793 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.259 -1.948 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.364 -0.539 4.083 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.189 0.027 2.993 1.00 0.00 H new ATOM 460 N ALA A 32 -7.233 -5.464 1.226 1.00 0.00 N ATOM 461 CA ALA A 32 -5.869 -5.984 1.122 1.00 0.00 C ATOM 462 C ALA A 32 -5.024 -5.034 0.265 1.00 0.00 C ATOM 463 O ALA A 32 -5.546 -4.080 -0.330 1.00 0.00 O ATOM 464 CB ALA A 32 -5.886 -7.405 0.523 1.00 0.00 C ATOM 0 H ALA A 32 -7.548 -4.998 0.375 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.425 -6.045 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.866 -7.781 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.471 -8.064 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.333 -7.376 -0.471 1.00 0.00 H new ATOM 470 N VAL A 33 -3.721 -5.305 0.196 1.00 0.00 N ATOM 471 CA VAL A 33 -2.774 -4.487 -0.566 1.00 0.00 C ATOM 472 C VAL A 33 -1.763 -5.393 -1.284 1.00 0.00 C ATOM 473 O VAL A 33 -1.319 -6.399 -0.728 1.00 0.00 O ATOM 474 CB VAL A 33 -2.035 -3.473 0.383 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.168 -4.199 1.433 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.208 -2.454 -0.420 1.00 0.00 C ATOM 0 H VAL A 33 -3.290 -6.100 0.668 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.323 -3.913 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.803 -2.921 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.675 -3.464 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.800 -4.842 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.416 -4.805 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.710 -1.768 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.460 -2.980 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.867 -1.891 -1.081 1.00 0.00 H new ATOM 486 N ALA A 34 -1.418 -5.030 -2.522 1.00 0.00 N ATOM 487 CA ALA A 34 -0.448 -5.755 -3.354 1.00 0.00 C ATOM 488 C ALA A 34 0.726 -4.823 -3.655 1.00 0.00 C ATOM 489 O ALA A 34 0.635 -3.941 -4.514 1.00 0.00 O ATOM 490 CB ALA A 34 -1.119 -6.255 -4.650 1.00 0.00 C ATOM 0 H ALA A 34 -1.811 -4.210 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.079 -6.633 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.387 -6.790 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.942 -6.925 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.503 -5.404 -5.213 1.00 0.00 H new ATOM 496 N LEU A 35 1.816 -5.008 -2.908 1.00 0.00 N ATOM 497 CA LEU A 35 3.054 -4.244 -3.071 1.00 0.00 C ATOM 498 C LEU A 35 3.975 -5.010 -4.026 1.00 0.00 C ATOM 499 O LEU A 35 4.414 -6.124 -3.701 1.00 0.00 O ATOM 500 CB LEU A 35 3.727 -4.035 -1.688 1.00 0.00 C ATOM 501 CG LEU A 35 5.074 -3.250 -1.685 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.903 -1.837 -2.262 1.00 0.00 C ATOM 503 CD2 LEU A 35 5.699 -3.197 -0.270 1.00 0.00 C ATOM 0 H LEU A 35 1.864 -5.702 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 35 2.844 -3.260 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.024 -3.510 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.901 -5.014 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 35 5.763 -3.793 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.862 -1.318 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.545 -1.904 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.180 -1.284 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.636 -2.642 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.010 -2.701 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.891 -4.211 0.081 1.00 0.00 H new ATOM 515 N ASN A 36 4.220 -4.409 -5.214 1.00 0.00 N ATOM 516 CA ASN A 36 5.068 -5.001 -6.277 1.00 0.00 C ATOM 517 C ASN A 36 4.426 -6.310 -6.815 1.00 0.00 C ATOM 518 O ASN A 36 5.139 -7.263 -7.160 1.00 0.00 O ATOM 519 CB ASN A 36 6.539 -5.232 -5.778 1.00 0.00 C ATOM 520 CG ASN A 36 7.353 -3.954 -5.474 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.716 -2.893 -4.982 1.00 0.00 O flip ATOM 522 ND2 ASN A 36 8.578 -3.940 -5.647 1.00 0.00 N flip ATOM 0 H ASN A 36 3.835 -3.498 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 36 5.126 -4.292 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.505 -5.842 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.073 -5.809 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.049 -4.762 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.117 -3.106 -5.412 1.00 0.00 H new ATOM 529 N TYR A 37 3.062 -6.294 -6.904 1.00 0.00 N ATOM 530 CA TYR A 37 2.178 -7.442 -7.291 1.00 0.00 C ATOM 531 C TYR A 37 1.948 -8.434 -6.133 1.00 0.00 C ATOM 532 O TYR A 37 1.002 -9.228 -6.180 1.00 0.00 O ATOM 533 CB TYR A 37 2.661 -8.227 -8.548 1.00 0.00 C ATOM 534 CG TYR A 37 2.682 -7.434 -9.859 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.534 -7.296 -10.642 1.00 0.00 C ATOM 536 CD2 TYR A 37 3.854 -6.834 -10.321 1.00 0.00 C ATOM 537 CE1 TYR A 37 1.559 -6.609 -11.835 1.00 0.00 C ATOM 538 CE2 TYR A 37 3.879 -6.138 -11.514 1.00 0.00 C ATOM 539 CZ TYR A 37 2.731 -6.024 -12.262 1.00 0.00 C ATOM 540 OH TYR A 37 2.759 -5.334 -13.450 1.00 0.00 O ATOM 0 H TYR A 37 2.526 -5.450 -6.701 1.00 0.00 H new ATOM 0 HA TYR A 37 1.233 -6.962 -7.546 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.666 -8.602 -8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.017 -9.096 -8.681 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.608 -7.737 -10.305 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.758 -6.915 -9.735 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.664 -6.529 -12.434 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.797 -5.685 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 37 3.661 -4.983 -13.603 1.00 0.00 H new ATOM 550 N ASP A 38 2.792 -8.375 -5.094 1.00 0.00 N ATOM 551 CA ASP A 38 2.800 -9.372 -4.007 1.00 0.00 C ATOM 552 C ASP A 38 1.971 -8.848 -2.826 1.00 0.00 C ATOM 553 O ASP A 38 2.289 -7.787 -2.274 1.00 0.00 O ATOM 554 CB ASP A 38 4.264 -9.665 -3.569 1.00 0.00 C ATOM 555 CG ASP A 38 5.162 -10.080 -4.751 1.00 0.00 C ATOM 556 OD1 ASP A 38 5.003 -11.210 -5.260 1.00 0.00 O ATOM 557 OD2 ASP A 38 6.012 -9.275 -5.187 1.00 0.00 O ATOM 0 H ASP A 38 3.488 -7.638 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 38 2.356 -10.303 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.682 -8.778 -3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.264 -10.458 -2.821 1.00 0.00 H new ATOM 562 N VAL A 39 0.903 -9.584 -2.450 1.00 0.00 N ATOM 563 CA VAL A 39 0.013 -9.191 -1.350 1.00 0.00 C ATOM 564 C VAL A 39 0.754 -9.260 0.006 1.00 0.00 C ATOM 565 O VAL A 39 1.384 -10.270 0.344 1.00 0.00 O ATOM 566 CB VAL A 39 -1.317 -10.046 -1.318 1.00 0.00 C ATOM 567 CG1 VAL A 39 -1.044 -11.539 -1.021 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.358 -9.457 -0.326 1.00 0.00 C ATOM 0 H VAL A 39 0.640 -10.460 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.283 -8.157 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.746 -9.990 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.987 -12.086 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.395 -11.951 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.557 -11.634 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.257 -10.073 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.936 -9.444 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.612 -8.441 -0.626 1.00 0.00 H new ATOM 578 N VAL A 40 0.710 -8.146 0.739 1.00 0.00 N ATOM 579 CA VAL A 40 1.337 -8.010 2.062 1.00 0.00 C ATOM 580 C VAL A 40 0.267 -8.298 3.137 1.00 0.00 C ATOM 581 O VAL A 40 -0.745 -7.615 3.139 1.00 0.00 O ATOM 582 CB VAL A 40 1.926 -6.549 2.248 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.602 -6.361 3.625 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.906 -6.196 1.104 1.00 0.00 C ATOM 0 H VAL A 40 0.232 -7.300 0.429 1.00 0.00 H new ATOM 0 HA VAL A 40 2.161 -8.717 2.157 1.00 0.00 H new ATOM 0 HB VAL A 40 1.082 -5.860 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.989 -5.345 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.872 -6.534 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.422 -7.071 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.295 -5.189 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.732 -6.907 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.382 -6.242 0.149 1.00 0.00 H new ATOM 594 N PRO A 41 0.435 -9.338 4.020 1.00 0.00 N ATOM 595 CA PRO A 41 -0.509 -9.588 5.152 1.00 0.00 C ATOM 596 C PRO A 41 -0.582 -8.397 6.135 1.00 0.00 C ATOM 597 O PRO A 41 0.362 -7.607 6.212 1.00 0.00 O ATOM 598 CB PRO A 41 0.077 -10.850 5.840 1.00 0.00 C ATOM 599 CG PRO A 41 0.944 -11.496 4.803 1.00 0.00 C ATOM 600 CD PRO A 41 1.503 -10.364 3.971 1.00 0.00 C ATOM 0 HA PRO A 41 -1.535 -9.721 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.654 -10.584 6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.715 -11.524 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.744 -12.073 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.368 -12.187 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.440 -9.988 4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.708 -10.681 2.949 1.00 0.00 H new ATOM 608 N ARG A 42 -1.704 -8.280 6.881 1.00 0.00 N ATOM 609 CA ARG A 42 -1.938 -7.156 7.822 1.00 0.00 C ATOM 610 C ARG A 42 -0.872 -7.108 8.925 1.00 0.00 C ATOM 611 O ARG A 42 -0.405 -6.020 9.302 1.00 0.00 O ATOM 612 CB ARG A 42 -3.350 -7.229 8.448 1.00 0.00 C ATOM 613 CG ARG A 42 -4.494 -7.177 7.421 1.00 0.00 C ATOM 614 CD ARG A 42 -5.878 -7.119 8.072 1.00 0.00 C ATOM 615 NE ARG A 42 -6.942 -7.066 7.050 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.917 -6.154 6.983 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.996 -5.180 7.876 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.797 -6.207 6.005 1.00 0.00 N ATOM 0 H ARG A 42 -2.468 -8.955 6.850 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.866 -6.237 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.434 -8.151 9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.468 -6.403 9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.362 -6.304 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.438 -8.055 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.022 -7.993 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.944 -6.243 8.717 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.932 -7.790 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.308 -5.119 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.745 -4.490 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.734 -6.943 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.542 -5.513 5.951 1.00 0.00 H new ATOM 632 N GLY A 43 -0.479 -8.299 9.413 1.00 0.00 N ATOM 633 CA GLY A 43 0.613 -8.435 10.386 1.00 0.00 C ATOM 634 C GLY A 43 1.956 -7.946 9.849 1.00 0.00 C ATOM 635 O GLY A 43 2.874 -7.669 10.622 1.00 0.00 O ATOM 0 H GLY A 43 -0.907 -9.185 9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.362 -7.874 11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.704 -9.481 10.678 1.00 0.00 H new ATOM 639 N LYS A 44 2.073 -7.863 8.506 1.00 0.00 N ATOM 640 CA LYS A 44 3.268 -7.349 7.810 1.00 0.00 C ATOM 641 C LYS A 44 3.080 -5.882 7.366 1.00 0.00 C ATOM 642 O LYS A 44 4.083 -5.221 7.141 1.00 0.00 O ATOM 643 CB LYS A 44 3.641 -8.254 6.582 1.00 0.00 C ATOM 644 CG LYS A 44 4.436 -9.548 6.917 1.00 0.00 C ATOM 645 CD LYS A 44 3.670 -10.551 7.812 1.00 0.00 C ATOM 646 CE LYS A 44 4.520 -11.788 8.161 1.00 0.00 C ATOM 647 NZ LYS A 44 3.818 -12.715 9.093 1.00 0.00 N ATOM 0 H LYS A 44 1.331 -8.155 7.870 1.00 0.00 H new ATOM 0 HA LYS A 44 4.094 -7.379 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.722 -8.537 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.227 -7.660 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.709 -10.044 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.365 -9.271 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.362 -10.053 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.761 -10.869 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.774 -12.321 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.458 -11.465 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.430 -13.531 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.598 -12.216 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.935 -13.046 8.654 1.00 0.00 H new ATOM 661 N TRP A 45 1.809 -5.368 7.254 1.00 0.00 N ATOM 662 CA TRP A 45 1.532 -3.967 6.774 1.00 0.00 C ATOM 663 C TRP A 45 2.402 -2.940 7.532 1.00 0.00 C ATOM 664 O TRP A 45 3.033 -2.058 6.925 1.00 0.00 O ATOM 665 CB TRP A 45 0.024 -3.563 6.938 1.00 0.00 C ATOM 666 CG TRP A 45 -0.951 -4.157 5.955 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.683 -4.999 4.924 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.376 -3.918 5.903 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.838 -5.333 4.276 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.882 -4.677 4.838 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.268 -3.153 6.655 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.231 -4.696 4.496 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.609 -3.171 6.315 1.00 0.00 C ATOM 674 CH2 TRP A 45 -5.081 -3.940 5.246 1.00 0.00 C ATOM 0 H TRP A 45 0.969 -5.897 7.487 1.00 0.00 H new ATOM 0 HA TRP A 45 1.780 -3.958 5.713 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.295 -3.842 7.942 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.046 -2.477 6.871 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.301 -5.353 4.655 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.905 -5.978 3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.919 -2.558 7.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.591 -5.288 3.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.307 -2.578 6.888 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.135 -3.934 5.012 1.00 0.00 H new ATOM 685 N ASP A 46 2.418 -3.094 8.862 1.00 0.00 N ATOM 686 CA ASP A 46 3.194 -2.245 9.779 1.00 0.00 C ATOM 687 C ASP A 46 4.705 -2.456 9.576 1.00 0.00 C ATOM 688 O ASP A 46 5.479 -1.496 9.502 1.00 0.00 O ATOM 689 CB ASP A 46 2.812 -2.571 11.245 1.00 0.00 C ATOM 690 CG ASP A 46 1.324 -2.337 11.540 1.00 0.00 C ATOM 691 OD1 ASP A 46 0.511 -3.273 11.357 1.00 0.00 O ATOM 692 OD2 ASP A 46 0.958 -1.213 11.949 1.00 0.00 O ATOM 0 H ASP A 46 1.886 -3.821 9.339 1.00 0.00 H new ATOM 0 HA ASP A 46 2.960 -1.202 9.564 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.060 -3.611 11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.412 -1.957 11.917 1.00 0.00 H new ATOM 697 N GLU A 47 5.088 -3.736 9.478 1.00 0.00 N ATOM 698 CA GLU A 47 6.491 -4.183 9.373 1.00 0.00 C ATOM 699 C GLU A 47 7.116 -3.863 7.990 1.00 0.00 C ATOM 700 O GLU A 47 8.338 -3.930 7.833 1.00 0.00 O ATOM 701 CB GLU A 47 6.550 -5.719 9.637 1.00 0.00 C ATOM 702 CG GLU A 47 5.793 -6.210 10.892 1.00 0.00 C ATOM 703 CD GLU A 47 6.253 -5.542 12.200 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.286 -5.966 12.760 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.579 -4.601 12.676 1.00 0.00 O ATOM 0 H GLU A 47 4.421 -4.508 9.469 1.00 0.00 H new ATOM 0 HA GLU A 47 7.073 -3.639 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.146 -6.235 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.595 -6.014 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.727 -6.025 10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.921 -7.289 10.982 1.00 0.00 H new ATOM 712 N THR A 48 6.273 -3.536 6.995 1.00 0.00 N ATOM 713 CA THR A 48 6.710 -3.297 5.608 1.00 0.00 C ATOM 714 C THR A 48 6.708 -1.782 5.299 1.00 0.00 C ATOM 715 O THR A 48 5.707 -1.103 5.577 1.00 0.00 O ATOM 716 CB THR A 48 5.771 -4.056 4.614 1.00 0.00 C ATOM 717 OG1 THR A 48 5.716 -5.438 4.984 1.00 0.00 O ATOM 718 CG2 THR A 48 6.247 -3.962 3.158 1.00 0.00 C ATOM 0 H THR A 48 5.268 -3.430 7.130 1.00 0.00 H new ATOM 0 HA THR A 48 7.726 -3.673 5.488 1.00 0.00 H new ATOM 0 HB THR A 48 4.790 -3.585 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.086 -5.553 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.557 -4.507 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.279 -2.916 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.243 -4.396 3.072 1.00 0.00 H new ATOM 726 N PRO A 49 7.832 -1.222 4.747 1.00 0.00 N ATOM 727 CA PRO A 49 7.905 0.200 4.356 1.00 0.00 C ATOM 728 C PRO A 49 7.339 0.475 2.943 1.00 0.00 C ATOM 729 O PRO A 49 6.956 -0.448 2.213 1.00 0.00 O ATOM 730 CB PRO A 49 9.421 0.474 4.422 1.00 0.00 C ATOM 731 CG PRO A 49 10.048 -0.808 3.975 1.00 0.00 C ATOM 732 CD PRO A 49 9.138 -1.914 4.489 1.00 0.00 C ATOM 0 HA PRO A 49 7.303 0.844 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.704 1.303 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.734 0.739 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.133 -0.844 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.056 -0.912 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.028 -2.713 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.535 -2.367 5.397 1.00 0.00 H new ATOM 740 N VAL A 50 7.286 1.767 2.594 1.00 0.00 N ATOM 741 CA VAL A 50 6.924 2.258 1.250 1.00 0.00 C ATOM 742 C VAL A 50 8.128 3.024 0.660 1.00 0.00 C ATOM 743 O VAL A 50 8.655 3.943 1.294 1.00 0.00 O ATOM 744 CB VAL A 50 5.651 3.195 1.305 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.370 3.891 -0.047 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.404 2.416 1.778 1.00 0.00 C ATOM 0 H VAL A 50 7.497 2.519 3.249 1.00 0.00 H new ATOM 0 HA VAL A 50 6.676 1.407 0.616 1.00 0.00 H new ATOM 0 HB VAL A 50 5.873 3.976 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.486 4.522 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.227 4.505 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.199 3.137 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.545 3.086 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.203 1.597 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.583 2.014 2.775 1.00 0.00 H new ATOM 756 N THR A 51 8.544 2.628 -0.554 1.00 0.00 N ATOM 757 CA THR A 51 9.683 3.222 -1.279 1.00 0.00 C ATOM 758 C THR A 51 9.150 4.035 -2.470 1.00 0.00 C ATOM 759 O THR A 51 8.150 3.641 -3.077 1.00 0.00 O ATOM 760 CB THR A 51 10.640 2.098 -1.808 1.00 0.00 C ATOM 761 OG1 THR A 51 10.994 1.226 -0.726 1.00 0.00 O ATOM 762 CG2 THR A 51 11.928 2.650 -2.445 1.00 0.00 C ATOM 0 H THR A 51 8.091 1.873 -1.069 1.00 0.00 H new ATOM 0 HA THR A 51 10.239 3.868 -0.600 1.00 0.00 H new ATOM 0 HB THR A 51 10.097 1.562 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.591 0.522 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.547 1.822 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.671 3.289 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.479 3.231 -1.706 1.00 0.00 H new ATOM 770 N ALA A 52 9.819 5.158 -2.799 1.00 0.00 N ATOM 771 CA ALA A 52 9.451 6.013 -3.938 1.00 0.00 C ATOM 772 C ALA A 52 9.494 5.230 -5.266 1.00 0.00 C ATOM 773 O ALA A 52 10.552 4.725 -5.656 1.00 0.00 O ATOM 774 CB ALA A 52 10.373 7.243 -3.980 1.00 0.00 C ATOM 0 H ALA A 52 10.630 5.495 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 52 8.424 6.351 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.098 7.875 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.267 7.809 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.408 6.919 -4.091 1.00 0.00 H new ATOM 780 N GLY A 53 8.330 5.127 -5.937 1.00 0.00 N ATOM 781 CA GLY A 53 8.217 4.409 -7.216 1.00 0.00 C ATOM 782 C GLY A 53 7.454 3.091 -7.124 1.00 0.00 C ATOM 783 O GLY A 53 7.268 2.421 -8.148 1.00 0.00 O ATOM 0 H GLY A 53 7.454 5.534 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.720 5.054 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.218 4.211 -7.599 1.00 0.00 H new ATOM 787 N ASP A 54 7.010 2.709 -5.904 1.00 0.00 N ATOM 788 CA ASP A 54 6.287 1.434 -5.676 1.00 0.00 C ATOM 789 C ASP A 54 4.883 1.443 -6.304 1.00 0.00 C ATOM 790 O ASP A 54 4.111 2.389 -6.124 1.00 0.00 O ATOM 791 CB ASP A 54 6.188 1.098 -4.150 1.00 0.00 C ATOM 792 CG ASP A 54 7.450 0.460 -3.541 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.318 -0.028 -4.287 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.555 0.397 -2.300 1.00 0.00 O ATOM 0 H ASP A 54 7.140 3.267 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 54 6.871 0.657 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.964 2.015 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.347 0.422 -3.996 1.00 0.00 H new ATOM 799 N GLU A 55 4.580 0.369 -7.047 1.00 0.00 N ATOM 800 CA GLU A 55 3.234 0.080 -7.548 1.00 0.00 C ATOM 801 C GLU A 55 2.471 -0.659 -6.435 1.00 0.00 C ATOM 802 O GLU A 55 2.615 -1.879 -6.262 1.00 0.00 O ATOM 803 CB GLU A 55 3.310 -0.763 -8.849 1.00 0.00 C ATOM 804 CG GLU A 55 1.965 -1.010 -9.552 1.00 0.00 C ATOM 805 CD GLU A 55 2.104 -1.948 -10.763 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.494 -1.480 -11.856 1.00 0.00 O ATOM 807 OE2 GLU A 55 1.862 -3.167 -10.617 1.00 0.00 O ATOM 0 H GLU A 55 5.272 -0.329 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 55 2.708 1.001 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.980 -0.262 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.760 -1.727 -8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.259 -1.440 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.548 -0.057 -9.879 1.00 0.00 H new ATOM 814 N ILE A 56 1.757 0.124 -5.621 1.00 0.00 N ATOM 815 CA ILE A 56 0.969 -0.362 -4.485 1.00 0.00 C ATOM 816 C ILE A 56 -0.511 -0.431 -4.905 1.00 0.00 C ATOM 817 O ILE A 56 -1.220 0.567 -4.844 1.00 0.00 O ATOM 818 CB ILE A 56 1.134 0.628 -3.257 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.641 0.903 -2.956 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.410 0.097 -2.000 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.912 1.859 -1.809 1.00 0.00 C ATOM 0 H ILE A 56 1.710 1.136 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 56 1.316 -1.352 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 56 0.666 1.573 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.130 -0.047 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.107 1.302 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.544 0.801 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.653 -0.014 -2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.828 -0.870 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.988 1.981 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.460 2.827 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.483 1.457 -0.891 1.00 0.00 H new ATOM 833 N GLU A 57 -0.986 -1.605 -5.331 1.00 0.00 N ATOM 834 CA GLU A 57 -2.377 -1.768 -5.784 1.00 0.00 C ATOM 835 C GLU A 57 -3.229 -2.332 -4.660 1.00 0.00 C ATOM 836 O GLU A 57 -2.977 -3.435 -4.193 1.00 0.00 O ATOM 837 CB GLU A 57 -2.458 -2.687 -7.027 1.00 0.00 C ATOM 838 CG GLU A 57 -3.898 -2.927 -7.540 1.00 0.00 C ATOM 839 CD GLU A 57 -3.954 -3.708 -8.861 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.781 -4.944 -8.843 1.00 0.00 O ATOM 841 OE2 GLU A 57 -4.149 -3.085 -9.927 1.00 0.00 O ATOM 0 H GLU A 57 -0.430 -2.459 -5.373 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.758 -0.786 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.866 -2.248 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.004 -3.648 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.460 -3.471 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.393 -1.965 -7.674 1.00 0.00 H new ATOM 848 N ILE A 58 -4.266 -1.592 -4.254 1.00 0.00 N ATOM 849 CA ILE A 58 -5.201 -2.054 -3.231 1.00 0.00 C ATOM 850 C ILE A 58 -6.145 -3.085 -3.863 1.00 0.00 C ATOM 851 O ILE A 58 -6.810 -2.804 -4.864 1.00 0.00 O ATOM 852 CB ILE A 58 -6.030 -0.870 -2.623 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.076 0.174 -1.951 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.109 -1.387 -1.624 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.769 1.405 -1.402 1.00 0.00 C ATOM 0 H ILE A 58 -4.477 -0.665 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.634 -2.503 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.560 -0.371 -3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.538 -0.316 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.332 0.489 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.666 -0.541 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.793 -2.058 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.623 -1.923 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.030 2.070 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.283 1.924 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.493 1.107 -0.644 1.00 0.00 H new ATOM 867 N LEU A 59 -6.154 -4.285 -3.293 1.00 0.00 N ATOM 868 CA LEU A 59 -7.027 -5.383 -3.725 1.00 0.00 C ATOM 869 C LEU A 59 -8.050 -5.683 -2.641 1.00 0.00 C ATOM 870 O LEU A 59 -7.744 -5.601 -1.464 1.00 0.00 O ATOM 871 CB LEU A 59 -6.179 -6.642 -4.057 1.00 0.00 C ATOM 872 CG LEU A 59 -5.325 -6.530 -5.363 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.460 -7.793 -5.603 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.241 -6.233 -6.579 1.00 0.00 C ATOM 0 H LEU A 59 -5.550 -4.531 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.560 -5.087 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.512 -6.845 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.846 -7.499 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.633 -5.697 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.884 -7.671 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.779 -7.933 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.107 -8.665 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.634 -6.157 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.965 -7.040 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.768 -5.293 -6.416 1.00 0.00 H new ATOM 886 N THR A 60 -9.276 -6.006 -3.042 1.00 0.00 N ATOM 887 CA THR A 60 -10.313 -6.482 -2.128 1.00 0.00 C ATOM 888 C THR A 60 -10.652 -7.926 -2.547 1.00 0.00 C ATOM 889 O THR A 60 -11.535 -8.141 -3.385 1.00 0.00 O ATOM 890 CB THR A 60 -11.565 -5.539 -2.149 1.00 0.00 C ATOM 891 OG1 THR A 60 -11.140 -4.171 -2.009 1.00 0.00 O ATOM 892 CG2 THR A 60 -12.537 -5.860 -1.010 1.00 0.00 C ATOM 0 H THR A 60 -9.581 -5.945 -4.014 1.00 0.00 H new ATOM 0 HA THR A 60 -9.962 -6.471 -1.096 1.00 0.00 H new ATOM 0 HB THR A 60 -12.076 -5.694 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.923 -3.582 -2.024 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.391 -5.185 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.882 -6.889 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.030 -5.735 -0.053 1.00 0.00 H new ATOM 900 N PRO A 61 -9.897 -8.942 -2.000 1.00 0.00 N ATOM 901 CA PRO A 61 -9.905 -10.328 -2.542 1.00 0.00 C ATOM 902 C PRO A 61 -11.221 -11.072 -2.248 1.00 0.00 C ATOM 903 O PRO A 61 -12.010 -10.625 -1.408 1.00 0.00 O ATOM 904 CB PRO A 61 -8.694 -10.980 -1.834 1.00 0.00 C ATOM 905 CG PRO A 61 -8.567 -10.257 -0.532 1.00 0.00 C ATOM 906 CD PRO A 61 -9.009 -8.831 -0.804 1.00 0.00 C ATOM 0 HA PRO A 61 -9.834 -10.357 -3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.856 -12.047 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.787 -10.879 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.189 -10.720 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.540 -10.285 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.541 -8.410 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.156 -8.181 -1.000 1.00 0.00 H new ATOM 914 N ARG A 62 -11.437 -12.216 -2.940 1.00 0.00 N ATOM 915 CA ARG A 62 -12.702 -12.989 -2.883 1.00 0.00 C ATOM 916 C ARG A 62 -12.979 -13.529 -1.460 1.00 0.00 C ATOM 917 O ARG A 62 -12.607 -14.658 -1.114 1.00 0.00 O ATOM 918 CB ARG A 62 -12.689 -14.140 -3.929 1.00 0.00 C ATOM 919 CG ARG A 62 -12.585 -13.659 -5.393 1.00 0.00 C ATOM 920 CD ARG A 62 -12.846 -14.782 -6.410 1.00 0.00 C ATOM 921 NE ARG A 62 -12.835 -14.279 -7.798 1.00 0.00 N ATOM 922 CZ ARG A 62 -13.885 -14.263 -8.639 1.00 0.00 C ATOM 923 NH1 ARG A 62 -15.078 -14.715 -8.259 1.00 0.00 N ATOM 924 NH2 ARG A 62 -13.737 -13.774 -9.857 1.00 0.00 N ATOM 0 H ARG A 62 -10.737 -12.630 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.517 -12.310 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.850 -14.802 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.598 -14.730 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.300 -12.853 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.592 -13.244 -5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.088 -15.557 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.809 -15.246 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.952 -13.910 -8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.208 -15.082 -7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.862 -14.695 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.831 -13.412 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.529 -13.759 -10.500 1.00 0.00 H new ATOM 938 N GLN A 63 -13.634 -12.671 -0.665 1.00 0.00 N ATOM 939 CA GLN A 63 -13.865 -12.827 0.778 1.00 0.00 C ATOM 940 C GLN A 63 -14.504 -11.518 1.246 1.00 0.00 C ATOM 941 O GLN A 63 -15.641 -11.491 1.715 1.00 0.00 O ATOM 942 CB GLN A 63 -12.535 -13.102 1.559 1.00 0.00 C ATOM 943 CG GLN A 63 -12.680 -13.297 3.089 1.00 0.00 C ATOM 944 CD GLN A 63 -13.399 -14.595 3.519 1.00 0.00 C ATOM 945 OE1 GLN A 63 -14.270 -15.122 2.829 1.00 0.00 O ATOM 946 NE2 GLN A 63 -13.048 -15.111 4.683 1.00 0.00 N ATOM 0 H GLN A 63 -14.037 -11.807 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.508 -13.686 0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.068 -13.994 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.853 -12.271 1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.686 -13.285 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.224 -12.446 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.324 -14.661 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.501 -15.959 5.022 1.00 0.00 H new ATOM 955 N GLY A 64 -13.747 -10.422 1.072 1.00 0.00 N ATOM 956 CA GLY A 64 -14.260 -9.067 1.277 1.00 0.00 C ATOM 957 C GLY A 64 -14.750 -8.436 -0.017 1.00 0.00 C ATOM 958 O GLY A 64 -15.474 -7.433 0.008 1.00 0.00 O ATOM 0 H GLY A 64 -12.768 -10.455 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.077 -9.095 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.476 -8.445 1.708 1.00 0.00 H new ATOM 962 N GLY A 65 -14.372 -9.057 -1.157 1.00 0.00 N ATOM 963 CA GLY A 65 -14.718 -8.555 -2.495 1.00 0.00 C ATOM 964 C GLY A 65 -16.089 -9.022 -2.971 1.00 0.00 C ATOM 965 O GLY A 65 -16.402 -8.954 -4.164 1.00 0.00 O ATOM 0 H GLY A 65 -13.821 -9.916 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.695 -7.465 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.961 -8.884 -3.207 1.00 0.00 H new ATOM 969 N LEU A 66 -16.896 -9.518 -2.023 1.00 0.00 N ATOM 970 CA LEU A 66 -18.286 -9.903 -2.246 1.00 0.00 C ATOM 971 C LEU A 66 -19.177 -8.686 -1.965 1.00 0.00 C ATOM 972 O LEU A 66 -19.394 -8.337 -0.799 1.00 0.00 O ATOM 973 CB LEU A 66 -18.643 -11.087 -1.303 1.00 0.00 C ATOM 974 CG LEU A 66 -17.791 -12.385 -1.499 1.00 0.00 C ATOM 975 CD1 LEU A 66 -18.162 -13.471 -0.465 1.00 0.00 C ATOM 976 CD2 LEU A 66 -17.924 -12.931 -2.940 1.00 0.00 C ATOM 0 H LEU A 66 -16.589 -9.664 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 66 -18.441 -10.226 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -18.532 -10.753 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -19.694 -11.338 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.748 -12.114 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.550 -14.357 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.984 -13.092 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -19.215 -13.732 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.321 -13.833 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.968 -13.167 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.577 -12.178 -3.648 1.00 0.00 H new ATOM 988 N GLU A 67 -19.602 -7.998 -3.046 1.00 0.00 N ATOM 989 CA GLU A 67 -20.482 -6.813 -2.970 1.00 0.00 C ATOM 990 C GLU A 67 -21.876 -7.182 -2.404 1.00 0.00 C ATOM 991 O GLU A 67 -22.835 -7.425 -3.146 1.00 0.00 O ATOM 992 CB GLU A 67 -20.595 -6.123 -4.363 1.00 0.00 C ATOM 993 CG GLU A 67 -19.243 -5.715 -4.986 1.00 0.00 C ATOM 994 CD GLU A 67 -19.380 -5.189 -6.427 1.00 0.00 C ATOM 995 OE1 GLU A 67 -19.448 -6.012 -7.365 1.00 0.00 O ATOM 996 OE2 GLU A 67 -19.447 -3.959 -6.630 1.00 0.00 O ATOM 0 H GLU A 67 -19.343 -8.250 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 67 -20.032 -6.101 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -21.108 -6.798 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -21.219 -5.234 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.781 -4.946 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.572 -6.574 -4.981 1.00 0.00 H new ATOM 1003 N HIS A 68 -21.930 -7.269 -1.072 1.00 0.00 N ATOM 1004 CA HIS A 68 -23.140 -7.543 -0.285 1.00 0.00 C ATOM 1005 C HIS A 68 -22.939 -6.849 1.072 1.00 0.00 C ATOM 1006 O HIS A 68 -21.795 -6.767 1.539 1.00 0.00 O ATOM 1007 CB HIS A 68 -23.356 -9.072 -0.120 1.00 0.00 C ATOM 1008 CG HIS A 68 -24.652 -9.468 0.562 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -24.703 -10.064 1.804 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -25.942 -9.375 0.148 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -25.960 -10.325 2.121 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -26.729 -9.916 1.134 1.00 0.00 N ATOM 0 H HIS A 68 -21.102 -7.146 -0.489 1.00 0.00 H new ATOM 0 HA HIS A 68 -24.033 -7.163 -0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -23.325 -9.536 -1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -22.523 -9.482 0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -26.285 -8.953 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -26.298 -10.794 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -27.746 -9.989 1.106 1.00 0.00 H new ATOM 1021 N HIS A 69 -24.027 -6.327 1.673 1.00 0.00 N ATOM 1022 CA HIS A 69 -23.945 -5.424 2.849 1.00 0.00 C ATOM 1023 C HIS A 69 -23.300 -6.097 4.088 1.00 0.00 C ATOM 1024 O HIS A 69 -23.977 -6.717 4.917 1.00 0.00 O ATOM 1025 CB HIS A 69 -25.337 -4.819 3.187 1.00 0.00 C ATOM 1026 CG HIS A 69 -25.830 -3.812 2.174 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -27.015 -3.946 1.481 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -25.298 -2.629 1.768 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -27.192 -2.901 0.698 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -26.166 -2.088 0.853 1.00 0.00 N ATOM 0 H HIS A 69 -24.981 -6.514 1.364 1.00 0.00 H new ATOM 0 HA HIS A 69 -23.278 -4.609 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -26.064 -5.627 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -25.286 -4.341 4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -24.367 -2.196 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -28.034 -2.738 0.041 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -26.038 -1.199 0.370 1.00 0.00 H new ATOM 1039 N HIS A 70 -21.959 -6.003 4.147 1.00 0.00 N ATOM 1040 CA HIS A 70 -21.140 -6.359 5.316 1.00 0.00 C ATOM 1041 C HIS A 70 -21.021 -5.138 6.248 1.00 0.00 C ATOM 1042 O HIS A 70 -20.770 -5.283 7.452 1.00 0.00 O ATOM 1043 CB HIS A 70 -19.715 -6.803 4.866 1.00 0.00 C ATOM 1044 CG HIS A 70 -19.665 -8.081 4.059 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -19.645 -8.107 2.678 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -19.605 -9.378 4.450 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -19.574 -9.352 2.262 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -19.551 -10.144 3.310 1.00 0.00 N ATOM 0 H HIS A 70 -21.402 -5.668 3.361 1.00 0.00 H new ATOM 0 HA HIS A 70 -21.619 -7.185 5.843 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -19.271 -6.001 4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -19.093 -6.927 5.753 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -19.680 -7.286 2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -19.600 -9.741 5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.540 -9.671 1.231 1.00 0.00 H new ATOM 1057 N HIS A 71 -21.168 -3.927 5.654 1.00 0.00 N ATOM 1058 CA HIS A 71 -20.996 -2.630 6.347 1.00 0.00 C ATOM 1059 C HIS A 71 -22.079 -1.625 5.906 1.00 0.00 C ATOM 1060 O HIS A 71 -22.508 -1.641 4.743 1.00 0.00 O ATOM 1061 CB HIS A 71 -19.588 -2.043 6.061 1.00 0.00 C ATOM 1062 CG HIS A 71 -18.452 -2.849 6.638 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -17.418 -3.354 5.883 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -18.183 -3.204 7.921 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -16.564 -3.975 6.671 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -17.001 -3.899 7.909 1.00 0.00 N ATOM 0 H HIS A 71 -21.412 -3.825 4.669 1.00 0.00 H new ATOM 0 HA HIS A 71 -21.097 -2.806 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -19.452 -1.965 4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -19.541 -1.031 6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -18.787 -2.981 8.788 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -15.656 -4.465 6.353 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -16.536 -4.293 8.727 1.00 0.00 H new ATOM 1075 N HIS A 72 -22.492 -0.759 6.866 1.00 0.00 N ATOM 1076 CA HIS A 72 -23.463 0.344 6.662 1.00 0.00 C ATOM 1077 C HIS A 72 -23.659 1.099 7.986 1.00 0.00 C ATOM 1078 O HIS A 72 -23.635 2.336 8.010 1.00 0.00 O ATOM 1079 CB HIS A 72 -24.837 -0.174 6.139 1.00 0.00 C ATOM 1080 CG HIS A 72 -25.887 0.896 5.902 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -25.944 1.662 4.754 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -26.935 1.299 6.664 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -26.976 2.486 4.826 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -27.590 2.285 5.972 1.00 0.00 N ATOM 0 H HIS A 72 -22.150 -0.810 7.826 1.00 0.00 H new ATOM 0 HA HIS A 72 -23.057 1.013 5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -24.672 -0.711 5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -25.232 -0.894 6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -27.204 0.914 7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -27.266 3.203 4.072 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -28.420 2.783 6.294 1.00 0.00 H new ATOM 1093 N HIS A 73 -23.859 0.308 9.072 1.00 0.00 N ATOM 1094 CA HIS A 73 -24.192 0.798 10.420 1.00 0.00 C ATOM 1095 C HIS A 73 -25.599 1.452 10.394 1.00 0.00 C ATOM 1096 O HIS A 73 -25.715 2.672 10.190 1.00 0.00 O ATOM 1097 CB HIS A 73 -23.076 1.733 10.991 1.00 0.00 C ATOM 1098 CG HIS A 73 -23.319 2.243 12.400 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -23.035 1.510 13.533 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -23.832 3.421 12.842 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -23.356 2.214 14.604 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -23.840 3.374 14.211 1.00 0.00 N ATOM 1103 OXT HIS A 73 -26.593 0.720 10.542 1.00 0.00 O ATOM 0 H HIS A 73 -23.790 -0.709 9.026 1.00 0.00 H new ATOM 0 HA HIS A 73 -24.232 -0.042 11.114 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -22.129 1.193 10.975 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -22.966 2.589 10.326 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -24.171 4.242 12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -23.241 1.892 15.629 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -24.168 4.118 14.827 1.00 0.00 H new TER 1112 HIS A 73