USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: B 46 23F H2 : B 46 23F N : B 45 PHE C :(H bumps) USER MOD NoAdj-H: B 46 23F H : B 46 23F N : B 45 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -0.0316 F(o=-0.56,f=-0.032) USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= -5.92! C(o=-5.9!,f=-6.1!) USER MOD Set 2.3: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 177:sc= -0.542 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.085) USER MOD Single : A 21 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.91) USER MOD Single : B 24 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.022) USER MOD Single : B 25 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 0.94 K(o=0.94,f=-3.8!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 30:sc= -0.144 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.134 USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= -0.136 (180deg=-0.855) USER MOD Single : B 51 THR OG1 : rot 5:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.794 21.185 -14.084 1.00 0.00 N ATOM 2 CA GLY A 1 1.471 20.384 -12.821 1.00 0.00 C ATOM 3 C GLY A 1 2.344 19.243 -12.427 1.00 0.00 C ATOM 4 O GLY A 1 2.943 18.592 -13.259 1.00 0.00 O ATOM 0 H1 GLY A 1 1.088 21.938 -14.207 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.740 21.608 -13.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.774 20.553 -14.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.455 21.085 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.458 19.996 -12.931 1.00 0.00 H new ATOM 10 N ILE A 2 2.442 18.972 -11.155 1.00 0.00 N ATOM 11 CA ILE A 2 3.302 17.845 -10.698 1.00 0.00 C ATOM 12 C ILE A 2 2.915 16.566 -11.447 1.00 0.00 C ATOM 13 O ILE A 2 3.691 15.648 -11.568 1.00 0.00 O ATOM 14 CB ILE A 2 3.119 17.647 -9.182 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.950 16.434 -8.708 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.628 17.446 -8.848 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.800 16.246 -7.205 1.00 0.00 C ATOM 0 H ILE A 2 1.964 19.482 -10.412 1.00 0.00 H new ATOM 0 HA ILE A 2 4.347 18.073 -10.906 1.00 0.00 H new ATOM 0 HB ILE A 2 3.470 18.537 -8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.622 15.534 -9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.000 16.583 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.511 17.307 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.063 18.323 -9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.254 16.566 -9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.391 15.388 -6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.150 17.140 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.751 16.075 -6.963 1.00 0.00 H new ATOM 29 N VAL A 3 1.718 16.487 -11.940 1.00 0.00 N ATOM 30 CA VAL A 3 1.298 15.255 -12.656 1.00 0.00 C ATOM 31 C VAL A 3 2.060 15.113 -13.982 1.00 0.00 C ATOM 32 O VAL A 3 2.616 14.078 -14.276 1.00 0.00 O ATOM 33 CB VAL A 3 -0.207 15.331 -12.908 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.667 14.093 -13.672 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.929 15.390 -11.560 1.00 0.00 C ATOM 0 H VAL A 3 1.011 17.220 -11.880 1.00 0.00 H new ATOM 0 HA VAL A 3 1.527 14.380 -12.048 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.436 16.219 -13.497 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.741 14.153 -13.849 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.144 14.040 -14.627 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.445 13.201 -13.087 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.005 15.445 -11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.696 14.495 -10.983 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.601 16.272 -11.010 1.00 0.00 H new ATOM 45 N GLU A 4 2.085 16.130 -14.791 1.00 0.00 N ATOM 46 CA GLU A 4 2.804 16.025 -16.099 1.00 0.00 C ATOM 47 C GLU A 4 4.230 15.497 -15.904 1.00 0.00 C ATOM 48 O GLU A 4 4.599 14.470 -16.431 1.00 0.00 O ATOM 49 CB GLU A 4 2.879 17.415 -16.743 1.00 0.00 C ATOM 50 CG GLU A 4 3.824 17.390 -17.960 1.00 0.00 C ATOM 51 CD GLU A 4 3.474 18.535 -18.916 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.329 18.606 -19.330 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.359 19.320 -19.217 1.00 0.00 O ATOM 0 H GLU A 4 1.642 17.030 -14.609 1.00 0.00 H new ATOM 0 HA GLU A 4 2.257 15.331 -16.737 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.884 17.734 -17.053 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.234 18.143 -16.013 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.859 17.484 -17.630 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.740 16.434 -18.477 1.00 0.00 H new ATOM 60 N GLN A 5 5.048 16.214 -15.196 1.00 0.00 N ATOM 61 CA GLN A 5 6.460 15.772 -15.033 1.00 0.00 C ATOM 62 C GLN A 5 6.559 14.423 -14.304 1.00 0.00 C ATOM 63 O GLN A 5 7.393 13.604 -14.626 1.00 0.00 O ATOM 64 CB GLN A 5 7.235 16.827 -14.237 1.00 0.00 C ATOM 65 CG GLN A 5 7.129 18.191 -14.932 1.00 0.00 C ATOM 66 CD GLN A 5 5.790 18.847 -14.588 0.50 0.00 C ATOM 67 OE1 GLN A 5 5.138 19.410 -15.444 0.50 0.00 O ATOM 68 NE2 GLN A 5 5.354 18.799 -13.361 0.50 0.00 N ATOM 0 H GLN A 5 4.805 17.084 -14.723 1.00 0.00 H new ATOM 0 HA GLN A 5 6.886 15.651 -16.029 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.838 16.894 -13.224 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.281 16.534 -14.151 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.951 18.834 -14.617 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.217 18.067 -16.011 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.903 18.326 -12.643 0.50 0.00 H new ATOM 0 HE22 GLN A 5 4.464 19.235 -13.119 0.50 0.00 H new ATOM 77 N CYS A 6 5.757 14.207 -13.299 1.00 0.00 N ATOM 78 CA CYS A 6 5.842 12.930 -12.517 1.00 0.00 C ATOM 79 C CYS A 6 5.014 11.803 -13.153 1.00 0.00 C ATOM 80 O CYS A 6 5.458 10.676 -13.239 1.00 0.00 O ATOM 81 CB CYS A 6 5.338 13.217 -11.104 1.00 0.00 C ATOM 82 SG CYS A 6 5.980 14.824 -10.589 1.00 0.00 S ATOM 0 H CYS A 6 5.041 14.860 -12.980 1.00 0.00 H new ATOM 0 HA CYS A 6 6.877 12.588 -12.506 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.248 13.219 -11.083 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.669 12.438 -10.417 1.00 0.00 H new ATOM 87 N CYS A 7 3.808 12.073 -13.567 1.00 0.00 N ATOM 88 CA CYS A 7 2.969 10.987 -14.162 1.00 0.00 C ATOM 89 C CYS A 7 3.302 10.789 -15.646 1.00 0.00 C ATOM 90 O CYS A 7 3.590 9.691 -16.079 1.00 0.00 O ATOM 91 CB CYS A 7 1.491 11.349 -14.005 1.00 0.00 C ATOM 92 SG CYS A 7 0.464 9.967 -14.564 1.00 0.00 S ATOM 0 H CYS A 7 3.366 12.991 -13.521 1.00 0.00 H new ATOM 0 HA CYS A 7 3.180 10.054 -13.639 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.272 11.580 -12.963 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.262 12.243 -14.585 1.00 0.00 H new ATOM 97 N THR A 8 3.268 11.831 -16.433 1.00 0.00 N ATOM 98 CA THR A 8 3.586 11.668 -17.884 1.00 0.00 C ATOM 99 C THR A 8 5.079 11.367 -18.031 1.00 0.00 C ATOM 100 O THR A 8 5.500 10.659 -18.924 1.00 0.00 O ATOM 101 CB THR A 8 3.230 12.958 -18.635 1.00 0.00 C ATOM 102 OG1 THR A 8 2.015 13.481 -18.120 1.00 0.00 O ATOM 103 CG2 THR A 8 3.060 12.664 -20.122 1.00 0.00 C ATOM 0 H THR A 8 3.036 12.780 -16.139 1.00 0.00 H new ATOM 0 HA THR A 8 3.007 10.846 -18.305 1.00 0.00 H new ATOM 0 HB THR A 8 4.032 13.684 -18.501 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.811 14.331 -18.563 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.807 13.584 -20.648 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.990 12.261 -20.522 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.260 11.936 -20.260 1.00 0.00 H new ATOM 111 N SER A 9 5.873 11.896 -17.141 1.00 0.00 N ATOM 112 CA SER A 9 7.348 11.658 -17.175 1.00 0.00 C ATOM 113 C SER A 9 7.785 11.274 -15.766 1.00 0.00 C ATOM 114 O SER A 9 7.002 11.316 -14.844 1.00 0.00 O ATOM 115 CB SER A 9 8.064 12.938 -17.595 1.00 0.00 C ATOM 116 OG SER A 9 7.752 13.230 -18.951 1.00 0.00 O ATOM 0 H SER A 9 5.558 12.494 -16.377 1.00 0.00 H new ATOM 0 HA SER A 9 7.592 10.868 -17.886 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.759 13.765 -16.954 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.141 12.821 -17.475 1.00 0.00 H new ATOM 0 HG SER A 9 8.210 14.053 -19.222 1.00 0.00 H new ATOM 122 N ILE A 10 9.019 10.902 -15.572 1.00 0.00 N ATOM 123 CA ILE A 10 9.458 10.531 -14.192 1.00 0.00 C ATOM 124 C ILE A 10 9.904 11.794 -13.456 1.00 0.00 C ATOM 125 O ILE A 10 10.587 12.639 -14.000 1.00 0.00 O ATOM 126 CB ILE A 10 10.608 9.516 -14.251 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.164 8.302 -15.101 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.960 9.064 -12.821 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.009 7.060 -14.775 1.00 0.00 C ATOM 0 H ILE A 10 9.736 10.838 -16.295 1.00 0.00 H new ATOM 0 HA ILE A 10 8.626 10.071 -13.658 1.00 0.00 H new ATOM 0 HB ILE A 10 11.488 9.970 -14.706 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.111 8.089 -14.914 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.258 8.542 -16.160 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.776 8.343 -12.858 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.266 9.928 -12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.087 8.601 -12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.675 6.222 -15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.058 7.268 -14.986 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.894 6.808 -13.721 1.00 0.00 H new ATOM 141 N CYS A 11 9.512 11.926 -12.216 1.00 0.00 N ATOM 142 CA CYS A 11 9.890 13.129 -11.414 1.00 0.00 C ATOM 143 C CYS A 11 11.020 12.772 -10.455 1.00 0.00 C ATOM 144 O CYS A 11 11.562 11.684 -10.471 1.00 0.00 O ATOM 145 CB CYS A 11 8.675 13.587 -10.589 1.00 0.00 C ATOM 146 SG CYS A 11 7.796 14.903 -11.451 1.00 0.00 S ATOM 0 H CYS A 11 8.939 11.244 -11.718 1.00 0.00 H new ATOM 0 HA CYS A 11 10.213 13.923 -12.087 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.005 12.745 -10.417 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.003 13.939 -9.611 1.00 0.00 H new ATOM 151 N SER A 12 11.346 13.694 -9.598 1.00 0.00 N ATOM 152 CA SER A 12 12.404 13.466 -8.587 1.00 0.00 C ATOM 153 C SER A 12 11.912 14.039 -7.259 1.00 0.00 C ATOM 154 O SER A 12 11.065 14.905 -7.212 1.00 0.00 O ATOM 155 CB SER A 12 13.704 14.162 -9.031 1.00 0.00 C ATOM 156 OG SER A 12 13.630 14.437 -10.424 1.00 0.00 O ATOM 0 H SER A 12 10.912 14.616 -9.557 1.00 0.00 H new ATOM 0 HA SER A 12 12.613 12.402 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.846 15.087 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.563 13.526 -8.818 1.00 0.00 H new ATOM 0 HG SER A 12 14.454 14.882 -10.714 1.00 0.00 H new ATOM 162 N LEU A 13 12.447 13.561 -6.191 1.00 0.00 N ATOM 163 CA LEU A 13 12.054 14.054 -4.847 1.00 0.00 C ATOM 164 C LEU A 13 11.974 15.574 -4.868 1.00 0.00 C ATOM 165 O LEU A 13 10.951 16.172 -4.615 1.00 0.00 O ATOM 166 CB LEU A 13 13.156 13.631 -3.880 1.00 0.00 C ATOM 167 CG LEU A 13 13.005 14.339 -2.534 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.561 14.218 -2.051 1.00 0.00 C ATOM 169 CD2 LEU A 13 13.930 13.679 -1.522 1.00 0.00 C ATOM 0 H LEU A 13 13.159 12.831 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 13 11.086 13.651 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.121 12.552 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.131 13.863 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 13 13.263 15.393 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.455 14.723 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.894 14.679 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.302 13.165 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.829 14.177 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.663 12.628 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.961 13.759 -1.866 1.00 0.00 H new ATOM 181 N TYR A 14 13.070 16.177 -5.168 1.00 0.00 N ATOM 182 CA TYR A 14 13.150 17.665 -5.225 1.00 0.00 C ATOM 183 C TYR A 14 11.955 18.194 -6.000 1.00 0.00 C ATOM 184 O TYR A 14 11.290 19.123 -5.588 1.00 0.00 O ATOM 185 CB TYR A 14 14.454 18.053 -5.914 1.00 0.00 C ATOM 186 CG TYR A 14 15.517 17.065 -5.500 1.00 0.00 C ATOM 187 CD1 TYR A 14 16.009 17.061 -4.189 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.996 16.147 -6.425 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.987 16.132 -3.814 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.969 15.218 -6.058 1.00 0.00 C ATOM 191 CZ TYR A 14 17.469 15.209 -4.750 1.00 0.00 C ATOM 192 OH TYR A 14 18.433 14.292 -4.385 1.00 0.00 O ATOM 0 H TYR A 14 13.944 15.698 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 14 13.134 18.094 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.329 18.046 -6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.746 19.065 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.635 17.773 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.613 16.152 -7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.369 16.127 -2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.337 14.506 -6.782 1.00 0.00 H new ATOM 0 HH TYR A 14 18.654 13.726 -5.154 1.00 0.00 H new ATOM 202 N GLN A 15 11.658 17.584 -7.105 1.00 0.00 N ATOM 203 CA GLN A 15 10.480 18.032 -7.883 1.00 0.00 C ATOM 204 C GLN A 15 9.249 17.770 -7.031 1.00 0.00 C ATOM 205 O GLN A 15 8.297 18.515 -7.061 1.00 0.00 O ATOM 206 CB GLN A 15 10.389 17.262 -9.203 1.00 0.00 C ATOM 207 CG GLN A 15 11.479 17.751 -10.157 1.00 0.00 C ATOM 208 CD GLN A 15 11.211 17.194 -11.542 1.00 0.00 C ATOM 209 OE1 GLN A 15 10.040 17.374 -12.062 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 12.071 16.594 -12.155 1.00 0.00 N flip ATOM 0 H GLN A 15 12.176 16.800 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 15 10.560 19.092 -8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.503 16.193 -9.021 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.407 17.406 -9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.493 18.841 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.459 17.429 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.992 16.456 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.872 16.228 -13.086 1.00 0.00 H new ATOM 219 N LEU A 16 9.272 16.736 -6.233 1.00 0.00 N ATOM 220 CA LEU A 16 8.092 16.472 -5.360 1.00 0.00 C ATOM 221 C LEU A 16 8.094 17.494 -4.233 1.00 0.00 C ATOM 222 O LEU A 16 7.062 17.934 -3.767 1.00 0.00 O ATOM 223 CB LEU A 16 8.163 15.050 -4.759 1.00 0.00 C ATOM 224 CG LEU A 16 7.191 14.105 -5.471 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.648 13.891 -6.905 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.154 12.762 -4.734 1.00 0.00 C ATOM 0 H LEU A 16 10.043 16.073 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 16 7.180 16.550 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.179 14.665 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.926 15.088 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 16 6.193 14.543 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.956 13.218 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.670 14.848 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.646 13.453 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.462 12.088 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.151 12.322 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.822 12.919 -3.708 1.00 0.00 H new ATOM 238 N GLU A 17 9.252 17.853 -3.782 1.00 0.00 N ATOM 239 CA GLU A 17 9.349 18.817 -2.677 1.00 0.00 C ATOM 240 C GLU A 17 8.799 20.168 -3.101 1.00 0.00 C ATOM 241 O GLU A 17 8.178 20.881 -2.338 1.00 0.00 O ATOM 242 CB GLU A 17 10.809 18.997 -2.308 1.00 0.00 C ATOM 243 CG GLU A 17 11.414 17.672 -1.809 1.00 0.00 C ATOM 244 CD GLU A 17 12.565 17.953 -0.836 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.368 18.823 -1.135 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.623 17.294 0.189 1.00 0.00 O ATOM 0 H GLU A 17 10.145 17.513 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 17 8.775 18.439 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.366 19.353 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.902 19.759 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.647 17.076 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.776 17.087 -2.654 1.00 0.00 H new ATOM 253 N ASN A 18 9.053 20.519 -4.311 1.00 0.00 N ATOM 254 CA ASN A 18 8.592 21.830 -4.839 1.00 0.00 C ATOM 255 C ASN A 18 7.114 22.037 -4.517 1.00 0.00 C ATOM 256 O ASN A 18 6.657 23.136 -4.274 1.00 0.00 O ATOM 257 CB ASN A 18 8.772 21.811 -6.370 1.00 0.00 C ATOM 258 CG ASN A 18 10.057 22.543 -6.775 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.231 23.706 -6.468 1.00 0.00 O ATOM 260 ND2 ASN A 18 10.969 21.903 -7.455 1.00 0.00 N ATOM 0 H ASN A 18 9.571 19.948 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 18 9.167 22.637 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.808 20.781 -6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.913 22.283 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.829 22.379 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.822 20.927 -7.712 1.00 0.00 H new ATOM 267 N TYR A 19 6.370 20.989 -4.582 1.00 0.00 N ATOM 268 CA TYR A 19 4.902 21.079 -4.362 1.00 0.00 C ATOM 269 C TYR A 19 4.514 20.948 -2.887 1.00 0.00 C ATOM 270 O TYR A 19 3.348 20.955 -2.565 1.00 0.00 O ATOM 271 CB TYR A 19 4.259 19.960 -5.166 1.00 0.00 C ATOM 272 CG TYR A 19 4.830 19.991 -6.568 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.619 21.105 -7.377 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.576 18.915 -7.049 1.00 0.00 C ATOM 275 CE1 TYR A 19 5.153 21.151 -8.671 1.00 0.00 C ATOM 276 CE2 TYR A 19 6.115 18.955 -8.345 1.00 0.00 C ATOM 277 CZ TYR A 19 5.903 20.076 -9.154 1.00 0.00 C ATOM 278 OH TYR A 19 6.431 20.118 -10.429 1.00 0.00 O ATOM 0 H TYR A 19 6.715 20.050 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 19 4.556 22.062 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.455 18.995 -4.698 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.177 20.087 -5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.041 21.938 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.739 18.050 -6.424 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.985 22.017 -9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.692 18.121 -8.717 1.00 0.00 H new ATOM 0 HH TYR A 19 6.925 19.291 -10.606 1.00 0.00 H new ATOM 288 N CYS A 20 5.436 20.831 -1.976 1.00 0.00 N ATOM 289 CA CYS A 20 5.000 20.719 -0.557 1.00 0.00 C ATOM 290 C CYS A 20 4.524 22.075 -0.048 1.00 0.00 C ATOM 291 O CYS A 20 5.190 22.734 0.725 1.00 0.00 O ATOM 292 CB CYS A 20 6.133 20.253 0.316 1.00 0.00 C ATOM 293 SG CYS A 20 6.775 18.700 -0.322 1.00 0.00 S ATOM 0 H CYS A 20 6.442 20.808 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 20 4.187 19.994 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.923 21.004 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.787 20.123 1.342 1.00 0.00 H new ATOM 298 N ASN A 21 3.371 22.481 -0.470 1.00 0.00 N ATOM 299 CA ASN A 21 2.815 23.784 -0.017 1.00 0.00 C ATOM 300 C ASN A 21 3.844 24.893 -0.247 1.00 0.00 C ATOM 301 O ASN A 21 4.922 24.584 -0.729 1.00 0.00 O ATOM 302 CB ASN A 21 2.477 23.695 1.473 1.00 0.00 C ATOM 303 CG ASN A 21 1.987 25.057 1.969 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.142 25.674 1.351 1.00 0.00 O ATOM 305 ND2 ASN A 21 2.485 25.556 3.068 1.00 0.00 N ATOM 306 OXT ASN A 21 3.537 26.033 0.060 1.00 0.00 O ATOM 0 H ASN A 21 2.778 21.963 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 21 1.913 24.013 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.710 22.939 1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.356 23.385 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.165 26.463 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.194 25.039 3.587 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 15.488 8.439 -3.287 1.00 0.00 N ATOM 315 CA PHE B 22 14.031 8.376 -3.590 1.00 0.00 C ATOM 316 C PHE B 22 13.783 7.274 -4.628 1.00 0.00 C ATOM 317 O PHE B 22 14.283 6.173 -4.504 1.00 0.00 O ATOM 318 CB PHE B 22 13.569 9.742 -4.130 1.00 0.00 C ATOM 319 CG PHE B 22 12.091 9.943 -3.853 1.00 0.00 C ATOM 320 CD1 PHE B 22 11.650 10.116 -2.537 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.165 9.955 -4.907 1.00 0.00 C ATOM 322 CE1 PHE B 22 10.289 10.299 -2.271 1.00 0.00 C ATOM 323 CE2 PHE B 22 9.801 10.139 -4.640 1.00 0.00 C ATOM 324 CZ PHE B 22 9.363 10.311 -3.321 1.00 0.00 C ATOM 0 HA PHE B 22 13.465 8.145 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.146 10.540 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE B 22 13.756 9.800 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.362 10.108 -1.725 1.00 0.00 H new ATOM 0 HD2 PHE B 22 11.503 9.822 -5.924 1.00 0.00 H new ATOM 0 HE1 PHE B 22 9.952 10.431 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.088 10.148 -5.451 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.313 10.453 -3.114 1.00 0.00 H new ATOM 336 N VAL B 23 13.012 7.552 -5.647 1.00 0.00 N ATOM 337 CA VAL B 23 12.735 6.512 -6.682 1.00 0.00 C ATOM 338 C VAL B 23 12.518 7.179 -8.042 1.00 0.00 C ATOM 339 O VAL B 23 12.324 8.375 -8.137 1.00 0.00 O ATOM 340 CB VAL B 23 11.480 5.742 -6.285 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.357 6.736 -6.029 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.074 4.782 -7.411 1.00 0.00 C ATOM 0 H VAL B 23 12.563 8.454 -5.807 1.00 0.00 H new ATOM 0 HA VAL B 23 13.582 5.830 -6.752 1.00 0.00 H new ATOM 0 HB VAL B 23 11.676 5.161 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.453 6.198 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.646 7.412 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.167 7.311 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL B 23 10.177 4.237 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.873 5.351 -8.319 1.00 0.00 H new ATOM 0 HG23 VAL B 23 11.883 4.076 -7.597 1.00 0.00 H new ATOM 352 N ASN B 24 12.544 6.401 -9.092 1.00 0.00 N ATOM 353 CA ASN B 24 12.337 6.944 -10.469 1.00 0.00 C ATOM 354 C ASN B 24 11.165 6.200 -11.110 1.00 0.00 C ATOM 355 O ASN B 24 11.341 5.409 -12.016 1.00 0.00 O ATOM 356 CB ASN B 24 13.607 6.709 -11.292 1.00 0.00 C ATOM 357 CG ASN B 24 14.658 7.759 -10.923 1.00 0.00 C ATOM 358 OD1 ASN B 24 15.774 7.423 -10.579 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.345 9.024 -10.978 1.00 0.00 N ATOM 0 H ASN B 24 12.703 5.394 -9.053 1.00 0.00 H new ATOM 0 HA ASN B 24 12.123 8.012 -10.431 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.996 5.708 -11.103 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.379 6.766 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.037 9.732 -10.732 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.408 9.305 -11.267 1.00 0.00 H new ATOM 366 N GLN B 25 9.970 6.436 -10.626 1.00 0.00 N ATOM 367 CA GLN B 25 8.763 5.739 -11.171 1.00 0.00 C ATOM 368 C GLN B 25 7.786 6.764 -11.753 1.00 0.00 C ATOM 369 O GLN B 25 7.900 7.954 -11.533 1.00 0.00 O ATOM 370 CB GLN B 25 8.074 4.986 -10.013 1.00 0.00 C ATOM 371 CG GLN B 25 8.624 3.558 -9.905 1.00 0.00 C ATOM 372 CD GLN B 25 7.862 2.797 -8.819 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.930 3.410 -8.142 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 8.117 1.633 -8.583 1.00 0.00 N flip ATOM 0 H GLN B 25 9.777 7.090 -9.867 1.00 0.00 H new ATOM 0 HA GLN B 25 9.061 5.046 -11.957 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.238 5.518 -9.076 1.00 0.00 H new ATOM 0 HB3 GLN B 25 6.997 4.957 -10.179 1.00 0.00 H new ATOM 0 HG2 GLN B 25 8.523 3.045 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN B 25 9.687 3.584 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.845 1.153 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.603 1.135 -7.856 1.00 0.00 H new ATOM 383 N HIS B 26 6.806 6.289 -12.471 1.00 0.00 N ATOM 384 CA HIS B 26 5.779 7.197 -13.052 1.00 0.00 C ATOM 385 C HIS B 26 4.672 7.349 -12.012 1.00 0.00 C ATOM 386 O HIS B 26 3.753 6.557 -11.946 1.00 0.00 O ATOM 387 CB HIS B 26 5.208 6.573 -14.336 1.00 0.00 C ATOM 388 CG HIS B 26 6.080 6.930 -15.511 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.744 7.944 -16.398 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.275 6.420 -15.959 1.00 0.00 C ATOM 391 CE1 HIS B 26 6.716 8.013 -17.325 1.00 0.00 C ATOM 392 NE2 HIS B 26 7.669 7.107 -17.101 1.00 0.00 N ATOM 0 H HIS B 26 6.672 5.300 -12.682 1.00 0.00 H new ATOM 0 HA HIS B 26 6.210 8.167 -13.302 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.151 5.490 -14.230 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.192 6.931 -14.504 1.00 0.00 H new ATOM 0 HD1 HIS B 26 4.911 8.531 -16.354 1.00 0.00 H new ATOM 0 HD2 HIS B 26 7.822 5.612 -15.496 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.724 8.714 -18.147 1.00 0.00 H new ATOM 400 N LEU B 27 4.772 8.342 -11.178 1.00 0.00 N ATOM 401 CA LEU B 27 3.750 8.526 -10.114 1.00 0.00 C ATOM 402 C LEU B 27 2.538 9.273 -10.663 1.00 0.00 C ATOM 403 O LEU B 27 2.671 10.230 -11.397 1.00 0.00 O ATOM 404 CB LEU B 27 4.337 9.339 -8.961 1.00 0.00 C ATOM 405 CG LEU B 27 5.737 8.838 -8.577 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.426 9.889 -7.704 1.00 0.00 C ATOM 407 CD2 LEU B 27 5.615 7.536 -7.783 1.00 0.00 C ATOM 0 H LEU B 27 5.519 9.036 -11.187 1.00 0.00 H new ATOM 0 HA LEU B 27 3.446 7.540 -9.762 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.390 10.390 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU B 27 3.677 9.276 -8.096 1.00 0.00 H new ATOM 0 HG LEU B 27 6.320 8.663 -9.481 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.421 9.538 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.512 10.823 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU B 27 5.837 10.055 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU B 27 6.609 7.181 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.033 7.714 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.116 6.783 -8.393 1.00 0.00 H new ATOM 419 N CYS B 28 1.353 8.862 -10.290 1.00 0.00 N ATOM 420 CA CYS B 28 0.129 9.566 -10.775 1.00 0.00 C ATOM 421 C CYS B 28 -0.888 9.664 -9.642 1.00 0.00 C ATOM 422 O CYS B 28 -1.293 8.675 -9.063 1.00 0.00 O ATOM 423 CB CYS B 28 -0.477 8.788 -11.944 1.00 0.00 C ATOM 424 SG CYS B 28 0.794 8.513 -13.202 1.00 0.00 S ATOM 0 H CYS B 28 1.181 8.070 -9.671 1.00 0.00 H new ATOM 0 HA CYS B 28 0.395 10.569 -11.107 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.872 7.834 -11.595 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.313 9.342 -12.370 1.00 0.00 H new ATOM 429 N GLY B 29 -1.308 10.862 -9.340 1.00 0.00 N ATOM 430 CA GLY B 29 -2.311 11.078 -8.260 1.00 0.00 C ATOM 431 C GLY B 29 -2.055 10.151 -7.068 1.00 0.00 C ATOM 432 O GLY B 29 -1.116 10.324 -6.330 1.00 0.00 O ATOM 0 H GLY B 29 -0.993 11.714 -9.804 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.275 12.116 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -3.313 10.902 -8.651 1.00 0.00 H new ATOM 436 N SER B 30 -2.906 9.182 -6.868 1.00 0.00 N ATOM 437 CA SER B 30 -2.748 8.251 -5.709 1.00 0.00 C ATOM 438 C SER B 30 -1.275 7.901 -5.460 1.00 0.00 C ATOM 439 O SER B 30 -0.755 8.119 -4.384 1.00 0.00 O ATOM 440 CB SER B 30 -3.533 6.968 -5.979 1.00 0.00 C ATOM 441 OG SER B 30 -4.915 7.279 -6.102 1.00 0.00 O ATOM 0 H SER B 30 -3.713 8.992 -7.463 1.00 0.00 H new ATOM 0 HA SER B 30 -3.131 8.752 -4.820 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.173 6.493 -6.892 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.379 6.257 -5.168 1.00 0.00 H new ATOM 0 HG SER B 30 -5.421 6.458 -6.277 1.00 0.00 H new ATOM 447 N ASP B 31 -0.602 7.348 -6.429 1.00 0.00 N ATOM 448 CA ASP B 31 0.827 6.976 -6.218 1.00 0.00 C ATOM 449 C ASP B 31 1.679 8.236 -6.059 1.00 0.00 C ATOM 450 O ASP B 31 2.710 8.217 -5.425 1.00 0.00 O ATOM 451 CB ASP B 31 1.322 6.161 -7.418 1.00 0.00 C ATOM 452 CG ASP B 31 0.205 5.234 -7.900 1.00 0.00 C ATOM 453 OD1 ASP B 31 -0.134 4.317 -7.170 1.00 0.00 O ATOM 454 OD2 ASP B 31 -0.293 5.455 -8.992 1.00 0.00 O ATOM 0 H ASP B 31 -0.976 7.138 -7.354 1.00 0.00 H new ATOM 0 HA ASP B 31 0.913 6.377 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.628 6.829 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.199 5.577 -7.138 1.00 0.00 H new ATOM 459 N LEU B 32 1.256 9.321 -6.634 1.00 0.00 N ATOM 460 CA LEU B 32 2.026 10.596 -6.527 1.00 0.00 C ATOM 461 C LEU B 32 1.658 11.298 -5.232 1.00 0.00 C ATOM 462 O LEU B 32 2.484 11.503 -4.372 1.00 0.00 O ATOM 463 CB LEU B 32 1.665 11.448 -7.740 1.00 0.00 C ATOM 464 CG LEU B 32 2.142 12.895 -7.593 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.667 12.937 -7.308 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.800 13.634 -8.907 1.00 0.00 C ATOM 0 H LEU B 32 0.398 9.385 -7.182 1.00 0.00 H new ATOM 0 HA LEU B 32 3.101 10.416 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.108 11.010 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.584 11.436 -7.882 1.00 0.00 H new ATOM 0 HG LEU B 32 1.646 13.380 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.990 13.973 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU B 32 3.880 12.398 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.204 12.469 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.127 14.671 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.308 13.149 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.723 13.604 -9.072 1.00 0.00 H new ATOM 478 N VAL B 33 0.421 11.652 -5.085 1.00 0.00 N ATOM 479 CA VAL B 33 -0.041 12.318 -3.841 1.00 0.00 C ATOM 480 C VAL B 33 0.612 11.638 -2.642 1.00 0.00 C ATOM 481 O VAL B 33 1.307 12.253 -1.858 1.00 0.00 O ATOM 482 CB VAL B 33 -1.558 12.150 -3.740 1.00 0.00 C ATOM 483 CG1 VAL B 33 -2.036 12.487 -2.314 1.00 0.00 C ATOM 484 CG2 VAL B 33 -2.222 13.070 -4.761 1.00 0.00 C ATOM 0 H VAL B 33 -0.305 11.506 -5.786 1.00 0.00 H new ATOM 0 HA VAL B 33 0.225 13.375 -3.856 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.832 11.116 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -3.117 12.364 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.555 11.818 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.775 13.518 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.305 12.960 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.950 14.104 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.886 12.804 -5.763 1.00 0.00 H new ATOM 494 N GLU B 34 0.402 10.362 -2.513 1.00 0.00 N ATOM 495 CA GLU B 34 1.026 9.633 -1.379 1.00 0.00 C ATOM 496 C GLU B 34 2.530 9.913 -1.426 1.00 0.00 C ATOM 497 O GLU B 34 3.177 10.082 -0.412 1.00 0.00 O ATOM 498 CB GLU B 34 0.728 8.127 -1.483 1.00 0.00 C ATOM 499 CG GLU B 34 1.572 7.486 -2.578 1.00 0.00 C ATOM 500 CD GLU B 34 1.145 6.028 -2.759 1.00 0.00 C ATOM 501 OE1 GLU B 34 0.013 5.808 -3.158 1.00 0.00 O ATOM 502 OE2 GLU B 34 1.957 5.156 -2.496 1.00 0.00 O ATOM 0 H GLU B 34 -0.170 9.795 -3.138 1.00 0.00 H new ATOM 0 HA GLU B 34 0.618 9.970 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.934 7.644 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.330 7.974 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU B 34 1.449 8.031 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.629 7.537 -2.315 1.00 0.00 H new ATOM 509 N ALA B 35 3.077 10.009 -2.612 1.00 0.00 N ATOM 510 CA ALA B 35 4.523 10.332 -2.736 1.00 0.00 C ATOM 511 C ALA B 35 4.734 11.703 -2.114 1.00 0.00 C ATOM 512 O ALA B 35 5.728 11.956 -1.480 1.00 0.00 O ATOM 513 CB ALA B 35 4.949 10.353 -4.221 1.00 0.00 C ATOM 0 H ALA B 35 2.583 9.877 -3.495 1.00 0.00 H new ATOM 0 HA ALA B 35 5.126 9.578 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.010 10.591 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA B 35 4.766 9.375 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.371 11.108 -4.755 1.00 0.00 H new ATOM 519 N LEU B 36 3.798 12.599 -2.268 1.00 0.00 N ATOM 520 CA LEU B 36 3.982 13.930 -1.655 1.00 0.00 C ATOM 521 C LEU B 36 3.766 13.814 -0.149 1.00 0.00 C ATOM 522 O LEU B 36 4.643 14.113 0.634 1.00 0.00 O ATOM 523 CB LEU B 36 2.995 14.905 -2.254 1.00 0.00 C ATOM 524 CG LEU B 36 3.412 15.225 -3.703 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.214 15.848 -4.442 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.642 16.182 -3.712 1.00 0.00 C ATOM 0 H LEU B 36 2.929 12.464 -2.785 1.00 0.00 H new ATOM 0 HA LEU B 36 4.991 14.294 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU B 36 1.991 14.481 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.964 15.819 -1.662 1.00 0.00 H new ATOM 0 HG LEU B 36 3.705 14.309 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.499 16.078 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.382 15.143 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.911 16.764 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.926 16.400 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.384 17.110 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.477 15.706 -3.198 1.00 0.00 H new ATOM 538 N TYR B 37 2.612 13.352 0.266 1.00 0.00 N ATOM 539 CA TYR B 37 2.352 13.182 1.726 1.00 0.00 C ATOM 540 C TYR B 37 3.565 12.500 2.355 1.00 0.00 C ATOM 541 O TYR B 37 3.903 12.716 3.499 1.00 0.00 O ATOM 542 CB TYR B 37 1.121 12.305 1.921 1.00 0.00 C ATOM 543 CG TYR B 37 0.877 12.146 3.395 1.00 0.00 C ATOM 544 CD1 TYR B 37 1.578 11.178 4.118 1.00 0.00 C ATOM 545 CD2 TYR B 37 -0.039 12.976 4.038 1.00 0.00 C ATOM 546 CE1 TYR B 37 1.358 11.037 5.492 1.00 0.00 C ATOM 547 CE2 TYR B 37 -0.261 12.841 5.410 1.00 0.00 C ATOM 548 CZ TYR B 37 0.437 11.870 6.140 1.00 0.00 C ATOM 549 OH TYR B 37 0.220 11.735 7.496 1.00 0.00 O ATOM 0 H TYR B 37 1.840 13.086 -0.345 1.00 0.00 H new ATOM 0 HA TYR B 37 2.180 14.151 2.194 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.254 12.757 1.440 1.00 0.00 H new ATOM 0 HB3 TYR B 37 1.272 11.331 1.455 1.00 0.00 H new ATOM 0 HD1 TYR B 37 2.289 10.539 3.616 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.577 13.724 3.475 1.00 0.00 H new ATOM 0 HE1 TYR B 37 1.897 10.287 6.052 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.971 13.485 5.908 1.00 0.00 H new ATOM 0 HH TYR B 37 -0.448 12.390 7.787 1.00 0.00 H new ATOM 559 N LEU B 38 4.231 11.695 1.586 1.00 0.00 N ATOM 560 CA LEU B 38 5.439 11.000 2.073 1.00 0.00 C ATOM 561 C LEU B 38 6.588 12.007 2.086 1.00 0.00 C ATOM 562 O LEU B 38 7.336 12.115 3.037 1.00 0.00 O ATOM 563 CB LEU B 38 5.734 9.860 1.095 1.00 0.00 C ATOM 564 CG LEU B 38 6.996 9.086 1.520 1.00 0.00 C ATOM 565 CD1 LEU B 38 6.926 7.654 0.971 1.00 0.00 C ATOM 566 CD2 LEU B 38 8.273 9.778 0.989 1.00 0.00 C ATOM 0 H LEU B 38 3.981 11.487 0.619 1.00 0.00 H new ATOM 0 HA LEU B 38 5.307 10.597 3.077 1.00 0.00 H new ATOM 0 HB2 LEU B 38 4.882 9.181 1.054 1.00 0.00 H new ATOM 0 HB3 LEU B 38 5.870 10.262 0.091 1.00 0.00 H new ATOM 0 HG LEU B 38 7.040 9.067 2.609 1.00 0.00 H new ATOM 0 HD11 LEU B 38 7.819 7.105 1.271 1.00 0.00 H new ATOM 0 HD12 LEU B 38 6.042 7.155 1.368 1.00 0.00 H new ATOM 0 HD13 LEU B 38 6.867 7.684 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.150 9.212 1.302 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.238 9.820 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.332 10.790 1.389 1.00 0.00 H new ATOM 578 N VAL B 39 6.717 12.748 1.023 1.00 0.00 N ATOM 579 CA VAL B 39 7.797 13.771 0.921 1.00 0.00 C ATOM 580 C VAL B 39 7.431 14.996 1.772 1.00 0.00 C ATOM 581 O VAL B 39 8.145 15.383 2.677 1.00 0.00 O ATOM 582 CB VAL B 39 7.918 14.192 -0.557 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.707 15.492 -0.694 1.00 0.00 C ATOM 584 CG2 VAL B 39 8.615 13.090 -1.355 1.00 0.00 C ATOM 0 H VAL B 39 6.110 12.688 0.206 1.00 0.00 H new ATOM 0 HA VAL B 39 8.741 13.360 1.280 1.00 0.00 H new ATOM 0 HB VAL B 39 6.913 14.352 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.777 15.766 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.199 16.285 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.709 15.354 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL B 39 8.698 13.393 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL B 39 9.611 12.920 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.034 12.170 -1.289 1.00 0.00 H new ATOM 594 N CYS B 40 6.340 15.624 1.446 1.00 0.00 N ATOM 595 CA CYS B 40 5.905 16.853 2.168 1.00 0.00 C ATOM 596 C CYS B 40 5.482 16.551 3.608 1.00 0.00 C ATOM 597 O CYS B 40 5.878 17.229 4.533 1.00 0.00 O ATOM 598 CB CYS B 40 4.713 17.403 1.408 1.00 0.00 C ATOM 599 SG CYS B 40 5.158 17.502 -0.338 1.00 0.00 S ATOM 0 H CYS B 40 5.716 15.332 0.693 1.00 0.00 H new ATOM 0 HA CYS B 40 6.732 17.561 2.216 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.845 16.758 1.543 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.441 18.388 1.788 1.00 0.00 H new ATOM 604 N GLY B 41 4.683 15.545 3.808 1.00 0.00 N ATOM 605 CA GLY B 41 4.240 15.215 5.192 1.00 0.00 C ATOM 606 C GLY B 41 3.382 16.344 5.771 1.00 0.00 C ATOM 607 O GLY B 41 2.315 16.647 5.274 1.00 0.00 O ATOM 0 H GLY B 41 4.316 14.936 3.076 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.670 14.286 5.185 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.110 15.050 5.828 1.00 0.00 H new ATOM 611 N GLU B 42 3.828 16.944 6.840 1.00 0.00 N ATOM 612 CA GLU B 42 3.033 18.029 7.487 1.00 0.00 C ATOM 613 C GLU B 42 2.897 19.246 6.566 1.00 0.00 C ATOM 614 O GLU B 42 1.841 19.839 6.468 1.00 0.00 O ATOM 615 CB GLU B 42 3.728 18.452 8.785 1.00 0.00 C ATOM 616 CG GLU B 42 2.996 19.650 9.395 1.00 0.00 C ATOM 617 CD GLU B 42 3.426 19.825 10.853 1.00 0.00 C ATOM 618 OE1 GLU B 42 4.535 20.283 11.072 1.00 0.00 O ATOM 619 OE2 GLU B 42 2.638 19.498 11.726 1.00 0.00 O ATOM 0 H GLU B 42 4.714 16.729 7.297 1.00 0.00 H new ATOM 0 HA GLU B 42 2.034 17.647 7.695 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.738 17.622 9.491 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.767 18.712 8.584 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.220 20.553 8.828 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.918 19.498 9.339 1.00 0.00 H new ATOM 626 N ARG B 43 3.950 19.643 5.912 1.00 0.00 N ATOM 627 CA ARG B 43 3.856 20.842 5.031 1.00 0.00 C ATOM 628 C ARG B 43 2.627 20.744 4.126 1.00 0.00 C ATOM 629 O ARG B 43 2.202 21.724 3.550 1.00 0.00 O ATOM 630 CB ARG B 43 5.112 20.960 4.156 1.00 0.00 C ATOM 631 CG ARG B 43 6.345 20.531 4.941 1.00 0.00 C ATOM 632 CD ARG B 43 7.621 20.896 4.153 1.00 0.00 C ATOM 633 NE ARG B 43 8.220 19.650 3.598 1.00 0.00 N ATOM 634 CZ ARG B 43 9.189 19.721 2.727 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.656 20.884 2.364 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.693 18.629 2.220 1.00 0.00 N ATOM 0 H ARG B 43 4.866 19.195 5.947 1.00 0.00 H new ATOM 0 HA ARG B 43 3.770 21.723 5.667 1.00 0.00 H new ATOM 0 HB2 ARG B 43 5.004 20.339 3.267 1.00 0.00 H new ATOM 0 HB3 ARG B 43 5.230 21.988 3.814 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.356 21.021 5.915 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.315 19.457 5.124 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.381 21.590 3.347 1.00 0.00 H new ATOM 0 HD3 ARG B 43 8.335 21.399 4.805 1.00 0.00 H new ATOM 0 HE ARG B 43 7.872 18.740 3.899 1.00 0.00 H new ATOM 0 HH11 ARG B 43 9.264 21.738 2.761 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.413 20.939 1.683 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.329 17.719 2.505 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.450 18.685 1.539 1.00 0.00 H new ATOM 650 N GLY B 44 2.065 19.578 3.963 1.00 0.00 N ATOM 651 CA GLY B 44 0.890 19.469 3.054 1.00 0.00 C ATOM 652 C GLY B 44 1.410 19.600 1.625 1.00 0.00 C ATOM 653 O GLY B 44 2.599 19.675 1.410 1.00 0.00 O ATOM 0 H GLY B 44 2.362 18.711 4.411 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.384 18.514 3.193 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.162 20.250 3.271 1.00 0.00 H new ATOM 657 N PHE B 45 0.563 19.626 0.637 1.00 0.00 N ATOM 658 CA PHE B 45 1.103 19.741 -0.746 1.00 0.00 C ATOM 659 C PHE B 45 -0.024 20.053 -1.753 1.00 0.00 C ATOM 660 O PHE B 45 -1.191 20.000 -1.402 1.00 0.00 O ATOM 661 CB PHE B 45 1.752 18.414 -1.108 1.00 0.00 C ATOM 662 CG PHE B 45 0.815 17.285 -0.773 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.132 16.866 -1.702 1.00 0.00 C ATOM 664 CD2 PHE B 45 0.907 16.653 0.467 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.992 15.804 -1.393 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.050 15.597 0.781 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.898 15.170 -0.148 1.00 0.00 C ATOM 0 H PHE B 45 -0.452 19.574 0.720 1.00 0.00 H new ATOM 0 HA PHE B 45 1.828 20.554 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.995 18.395 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.689 18.296 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.204 17.359 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.643 16.981 1.186 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.726 15.475 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.121 15.111 1.743 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.559 14.351 0.092 1.00 0.00 H new HETATM 677 N 23F B 46 0.308 20.392 -3.092 1.00 0.00 N HETATM 678 CA 23F B 46 -0.692 20.674 -4.049 1.00 0.00 C HETATM 679 C 23F B 46 -1.608 19.566 -4.489 1.00 0.00 C HETATM 680 CB 23F B 46 -0.846 21.951 -4.609 1.00 0.00 C HETATM 681 CG 23F B 46 0.039 23.153 -4.349 1.00 0.00 C HETATM 682 CD1 23F B 46 1.256 23.152 -3.495 1.00 0.00 C HETATM 683 CD2 23F B 46 -0.313 24.400 -5.051 1.00 0.00 C HETATM 684 CE1 23F B 46 2.059 24.344 -3.382 1.00 0.00 C HETATM 685 CE2 23F B 46 0.492 25.557 -4.920 1.00 0.00 C HETATM 686 CZ 23F B 46 1.680 25.547 -4.092 1.00 0.00 C HETATM 687 O 23F B 46 -1.312 18.886 -5.453 1.00 0.00 O HETATM 0 HZ 23F B 46 2.289 26.446 -4.003 1.00 0.00 H new HETATM 0 HE2 23F B 46 0.214 26.468 -5.450 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.954 24.339 -2.760 1.00 0.00 H new HETATM 0 HD2 23F B 46 -1.204 24.432 -5.678 1.00 0.00 H new HETATM 0 HD1 23F B 46 1.541 22.250 -2.954 1.00 0.00 H new HETATM 0 HB 23F B 46 -1.681 22.092 -5.296 1.00 0.00 H new ATOM 695 N TYR B 47 -2.810 19.327 -3.811 1.00 0.00 N ATOM 696 CA TYR B 47 -3.753 18.236 -4.253 1.00 0.00 C ATOM 697 C TYR B 47 -4.959 18.228 -3.301 1.00 0.00 C ATOM 698 O TYR B 47 -4.808 18.284 -2.096 1.00 0.00 O ATOM 699 CB TYR B 47 -3.053 16.837 -4.230 1.00 0.00 C ATOM 700 CG TYR B 47 -2.984 16.234 -5.624 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.168 15.931 -6.306 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.740 15.955 -6.222 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.116 15.358 -7.582 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.694 15.378 -7.496 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.880 15.081 -8.176 1.00 0.00 C ATOM 706 OH TYR B 47 -2.830 14.513 -9.432 1.00 0.00 O ATOM 0 H TYR B 47 -3.124 19.856 -2.997 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.071 18.430 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.046 16.938 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.598 16.165 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.123 16.140 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.824 16.186 -5.699 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.031 15.130 -8.108 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.741 15.161 -7.955 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.615 14.791 -9.948 1.00 0.00 H new ATOM 716 N THR B 48 -6.150 18.154 -3.829 1.00 0.00 N ATOM 717 CA THR B 48 -7.356 18.135 -2.951 1.00 0.00 C ATOM 718 C THR B 48 -7.584 16.711 -2.439 1.00 0.00 C ATOM 719 O THR B 48 -6.941 15.777 -2.875 1.00 0.00 O ATOM 720 CB THR B 48 -8.578 18.592 -3.751 1.00 0.00 C ATOM 721 OG1 THR B 48 -9.711 18.643 -2.895 1.00 0.00 O ATOM 722 CG2 THR B 48 -8.841 17.608 -4.891 1.00 0.00 C ATOM 0 H THR B 48 -6.341 18.106 -4.830 1.00 0.00 H new ATOM 0 HA THR B 48 -7.205 18.808 -2.107 1.00 0.00 H new ATOM 0 HB THR B 48 -8.391 19.583 -4.166 1.00 0.00 H new ATOM 0 HG1 THR B 48 -10.494 18.937 -3.406 1.00 0.00 H new ATOM 0 HG21 THR B 48 -9.711 17.935 -5.460 1.00 0.00 H new ATOM 0 HG22 THR B 48 -7.972 17.571 -5.547 1.00 0.00 H new ATOM 0 HG23 THR B 48 -9.028 16.616 -4.480 1.00 0.00 H new ATOM 730 N LYS B 49 -8.492 16.534 -1.518 1.00 0.00 N ATOM 731 CA LYS B 49 -8.752 15.165 -0.986 1.00 0.00 C ATOM 732 C LYS B 49 -8.968 14.207 -2.172 1.00 0.00 C ATOM 733 O LYS B 49 -9.426 14.641 -3.210 1.00 0.00 O ATOM 734 CB LYS B 49 -10.017 15.184 -0.123 1.00 0.00 C ATOM 735 CG LYS B 49 -10.039 16.460 0.729 1.00 0.00 C ATOM 736 CD LYS B 49 -11.131 16.362 1.807 1.00 0.00 C ATOM 737 CE LYS B 49 -10.841 17.370 2.926 1.00 0.00 C ATOM 738 NZ LYS B 49 -10.228 18.598 2.345 1.00 0.00 N ATOM 0 H LYS B 49 -9.063 17.275 -1.112 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.905 14.836 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.903 15.143 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.044 14.304 0.520 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.067 16.609 1.199 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.222 17.327 0.094 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.108 16.562 1.368 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.165 15.351 2.214 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -11.763 17.624 3.449 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.169 16.929 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -10.325 19.386 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.220 18.427 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.711 18.840 1.456 1.00 0.00 H new ATOM 752 N PRO B 50 -8.660 12.935 -2.010 1.00 0.00 N ATOM 753 CA PRO B 50 -8.863 11.975 -3.100 1.00 0.00 C ATOM 754 C PRO B 50 -10.285 12.095 -3.663 1.00 0.00 C ATOM 755 O PRO B 50 -10.491 12.568 -4.763 1.00 0.00 O ATOM 756 CB PRO B 50 -8.616 10.595 -2.461 1.00 0.00 C ATOM 757 CG PRO B 50 -7.916 10.848 -1.106 1.00 0.00 C ATOM 758 CD PRO B 50 -8.089 12.345 -0.777 1.00 0.00 C ATOM 0 HA PRO B 50 -8.194 12.149 -3.943 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -9.556 10.062 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -7.994 9.976 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -8.356 10.229 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -6.859 10.586 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -8.753 12.489 0.076 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -7.136 12.807 -0.521 1.00 0.00 H new ATOM 766 N THR B 51 -11.264 11.664 -2.915 1.00 0.00 N ATOM 767 CA THR B 51 -12.674 11.741 -3.394 1.00 0.00 C ATOM 768 C THR B 51 -13.598 11.985 -2.197 1.00 0.00 C ATOM 769 O THR B 51 -13.992 13.123 -2.000 1.00 0.00 O ATOM 770 CB THR B 51 -13.039 10.416 -4.076 1.00 0.00 C ATOM 771 OG1 THR B 51 -12.371 10.333 -5.327 1.00 0.00 O ATOM 772 CG2 THR B 51 -14.551 10.338 -4.301 1.00 0.00 C ATOM 773 OXT THR B 51 -13.897 11.031 -1.499 1.00 0.00 O ATOM 0 H THR B 51 -11.147 11.259 -1.986 1.00 0.00 H new ATOM 0 HA THR B 51 -12.787 12.559 -4.106 1.00 0.00 H new ATOM 0 HB THR B 51 -12.732 9.589 -3.436 1.00 0.00 H new ATOM 0 HG1 THR B 51 -11.771 11.101 -5.429 1.00 0.00 H new ATOM 0 HG21 THR B 51 -14.798 9.394 -4.786 1.00 0.00 H new ATOM 0 HG22 THR B 51 -15.065 10.399 -3.342 1.00 0.00 H new ATOM 0 HG23 THR B 51 -14.868 11.165 -4.936 1.00 0.00 H new TER 781 THR B 51