USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 372 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 5 GLN :FLIP amide:sc= 0.00113 X(o=0,f=0.003) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.00189 X(o=0.003,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 13:sc= 0.968 USER MOD Single : A 12 SER OG : rot -170:sc= -0.764 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00899 X(o=-0.009,f=-0.18) USER MOD Single : A 19 TYR OH : rot 108:sc= 0.841 USER MOD Single : A 21 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.9) USER MOD Single : B 24 ASN :FLIP amide:sc= 0.554 F(o=-0.002,f=0.55) USER MOD Single : B 25 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.51) USER MOD Single : B 26 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-6.5!) 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 180:sc= 0 USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 46:sc= 0.0872 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.219 5.088 8.797 1.00 0.00 N ATOM 2 CA GLY A 1 -4.283 5.946 7.947 1.00 0.00 C ATOM 3 C GLY A 1 -3.443 5.293 6.902 1.00 0.00 C ATOM 4 O GLY A 1 -2.259 5.544 6.797 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.728 5.694 9.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.903 4.605 8.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.663 4.380 9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.891 6.703 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.611 6.470 8.627 1.00 0.00 H new ATOM 10 N ILE A 2 -4.030 4.444 6.103 1.00 0.00 N ATOM 11 CA ILE A 2 -3.246 3.760 5.038 1.00 0.00 C ATOM 12 C ILE A 2 -3.049 4.719 3.864 1.00 0.00 C ATOM 13 O ILE A 2 -1.940 5.080 3.523 1.00 0.00 O ATOM 14 CB ILE A 2 -4.006 2.518 4.565 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.931 1.430 5.640 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.380 1.998 3.271 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.491 0.925 5.758 1.00 0.00 C ATOM 0 H ILE A 2 -5.018 4.195 6.142 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.274 3.461 5.431 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.049 2.779 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.268 1.827 6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.597 0.606 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.921 1.114 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.435 2.771 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.337 1.738 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.439 0.151 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.171 0.512 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.837 1.752 6.033 1.00 0.00 H new ATOM 29 N VAL A 3 -4.117 5.139 3.244 1.00 0.00 N ATOM 30 CA VAL A 3 -3.990 6.079 2.095 1.00 0.00 C ATOM 31 C VAL A 3 -3.592 7.461 2.618 1.00 0.00 C ATOM 32 O VAL A 3 -3.192 8.331 1.869 1.00 0.00 O ATOM 33 CB VAL A 3 -5.329 6.167 1.355 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.937 4.770 1.239 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.296 7.071 2.127 1.00 0.00 C ATOM 0 H VAL A 3 -5.072 4.872 3.483 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.226 5.719 1.406 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.160 6.583 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.890 4.830 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.257 4.122 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.098 4.360 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.245 7.128 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.463 6.659 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.869 8.070 2.215 1.00 0.00 H new ATOM 45 N GLU A 4 -3.704 7.667 3.900 1.00 0.00 N ATOM 46 CA GLU A 4 -3.341 8.987 4.481 1.00 0.00 C ATOM 47 C GLU A 4 -1.857 8.992 4.852 1.00 0.00 C ATOM 48 O GLU A 4 -1.299 10.013 5.203 1.00 0.00 O ATOM 49 CB GLU A 4 -4.185 9.235 5.732 1.00 0.00 C ATOM 50 CG GLU A 4 -5.576 8.627 5.534 1.00 0.00 C ATOM 51 CD GLU A 4 -6.466 8.987 6.725 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.503 10.153 7.080 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.095 8.089 7.262 1.00 0.00 O ATOM 0 H GLU A 4 -4.033 6.974 4.573 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.531 9.774 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.703 8.792 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.267 10.305 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.019 8.999 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.500 7.544 5.437 1.00 0.00 H new ATOM 60 N GLN A 5 -1.212 7.860 4.775 1.00 0.00 N ATOM 61 CA GLN A 5 0.236 7.805 5.120 1.00 0.00 C ATOM 62 C GLN A 5 1.064 7.885 3.837 1.00 0.00 C ATOM 63 O GLN A 5 1.966 8.690 3.718 1.00 0.00 O ATOM 64 CB GLN A 5 0.543 6.489 5.839 1.00 0.00 C ATOM 65 CG GLN A 5 0.372 6.677 7.348 1.00 0.00 C ATOM 66 CD GLN A 5 1.743 6.884 7.996 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.479 5.845 8.282 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 2.148 8.002 8.245 1.00 0.00 N flip ATOM 0 H GLN A 5 -1.625 6.972 4.488 1.00 0.00 H new ATOM 0 HA GLN A 5 0.486 8.642 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.124 5.704 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.561 6.169 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.270 7.535 7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.118 5.805 7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.573 8.814 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.063 8.128 8.677 1.00 0.00 H new ATOM 77 N CYS A 6 0.767 7.054 2.877 1.00 0.00 N ATOM 78 CA CYS A 6 1.541 7.080 1.605 1.00 0.00 C ATOM 79 C CYS A 6 0.946 8.121 0.655 1.00 0.00 C ATOM 80 O CYS A 6 1.544 9.138 0.387 1.00 0.00 O ATOM 81 CB CYS A 6 1.486 5.703 0.940 1.00 0.00 C ATOM 82 SG CYS A 6 2.711 4.610 1.703 1.00 0.00 S ATOM 0 H CYS A 6 0.022 6.358 2.918 1.00 0.00 H new ATOM 0 HA CYS A 6 2.576 7.340 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.488 5.277 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.682 5.796 -0.128 1.00 0.00 H new ATOM 87 N CYS A 7 -0.223 7.871 0.134 1.00 0.00 N ATOM 88 CA CYS A 7 -0.840 8.844 -0.813 1.00 0.00 C ATOM 89 C CYS A 7 -0.630 10.283 -0.326 1.00 0.00 C ATOM 90 O CYS A 7 -0.628 11.212 -1.109 1.00 0.00 O ATOM 91 CB CYS A 7 -2.335 8.564 -0.936 1.00 0.00 C ATOM 92 SG CYS A 7 -2.904 9.101 -2.567 1.00 0.00 S ATOM 0 H CYS A 7 -0.778 7.036 0.322 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.361 8.730 -1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.531 7.500 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.882 9.091 -0.154 1.00 0.00 H new ATOM 97 N THR A 8 -0.455 10.484 0.952 1.00 0.00 N ATOM 98 CA THR A 8 -0.248 11.872 1.457 1.00 0.00 C ATOM 99 C THR A 8 1.152 12.352 1.056 1.00 0.00 C ATOM 100 O THR A 8 1.398 13.532 0.903 1.00 0.00 O ATOM 101 CB THR A 8 -0.393 11.893 2.985 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.652 13.222 3.415 1.00 0.00 O ATOM 103 CG2 THR A 8 0.893 11.385 3.645 1.00 0.00 C ATOM 0 H THR A 8 -0.446 9.753 1.664 1.00 0.00 H new ATOM 0 HA THR A 8 -0.995 12.536 1.022 1.00 0.00 H new ATOM 0 HB THR A 8 -1.220 11.244 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.747 13.238 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.778 11.405 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.090 10.364 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.727 12.025 3.357 1.00 0.00 H new ATOM 111 N SER A 9 2.067 11.440 0.887 1.00 0.00 N ATOM 112 CA SER A 9 3.452 11.824 0.498 1.00 0.00 C ATOM 113 C SER A 9 4.121 10.623 -0.183 1.00 0.00 C ATOM 114 O SER A 9 3.456 9.745 -0.690 1.00 0.00 O ATOM 115 CB SER A 9 4.231 12.221 1.755 1.00 0.00 C ATOM 116 OG SER A 9 3.823 13.520 2.167 1.00 0.00 O ATOM 0 H SER A 9 1.914 10.438 1.002 1.00 0.00 H new ATOM 0 HA SER A 9 3.436 12.668 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.050 11.500 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.302 12.210 1.552 1.00 0.00 H new ATOM 0 HG SER A 9 3.009 13.776 1.685 1.00 0.00 H new ATOM 122 N ILE A 10 5.422 10.564 -0.208 1.00 0.00 N ATOM 123 CA ILE A 10 6.082 9.402 -0.862 1.00 0.00 C ATOM 124 C ILE A 10 6.678 8.490 0.213 1.00 0.00 C ATOM 125 O ILE A 10 7.570 8.874 0.944 1.00 0.00 O ATOM 126 CB ILE A 10 7.182 9.895 -1.800 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.748 11.216 -2.437 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.410 8.858 -2.899 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.590 10.961 -3.407 1.00 0.00 C ATOM 0 H ILE A 10 6.051 11.261 0.191 1.00 0.00 H new ATOM 0 HA ILE A 10 5.349 8.843 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 10 8.104 10.043 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.440 11.921 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.586 11.669 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.195 9.206 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.711 7.912 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.487 8.715 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.281 11.903 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.914 10.272 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.750 10.527 -2.865 1.00 0.00 H new ATOM 141 N CYS A 11 6.186 7.284 0.316 1.00 0.00 N ATOM 142 CA CYS A 11 6.720 6.347 1.347 1.00 0.00 C ATOM 143 C CYS A 11 7.725 5.391 0.702 1.00 0.00 C ATOM 144 O CYS A 11 7.899 5.376 -0.501 1.00 0.00 O ATOM 145 CB CYS A 11 5.573 5.545 1.976 1.00 0.00 C ATOM 146 SG CYS A 11 4.423 4.984 0.695 1.00 0.00 S ATOM 0 H CYS A 11 5.439 6.908 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 11 7.218 6.924 2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.973 4.687 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.045 6.162 2.704 1.00 0.00 H new ATOM 151 N SER A 12 8.395 4.597 1.494 1.00 0.00 N ATOM 152 CA SER A 12 9.395 3.648 0.927 1.00 0.00 C ATOM 153 C SER A 12 8.846 2.220 0.985 1.00 0.00 C ATOM 154 O SER A 12 8.062 1.877 1.848 1.00 0.00 O ATOM 155 CB SER A 12 10.688 3.730 1.740 1.00 0.00 C ATOM 156 OG SER A 12 10.550 2.954 2.923 1.00 0.00 O ATOM 0 H SER A 12 8.293 4.565 2.508 1.00 0.00 H new ATOM 0 HA SER A 12 9.596 3.913 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.527 3.365 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.905 4.767 1.995 1.00 0.00 H new ATOM 0 HG SER A 12 11.308 3.128 3.519 1.00 0.00 H new ATOM 162 N LEU A 13 9.255 1.382 0.071 1.00 0.00 N ATOM 163 CA LEU A 13 8.758 -0.023 0.071 1.00 0.00 C ATOM 164 C LEU A 13 8.833 -0.596 1.487 1.00 0.00 C ATOM 165 O LEU A 13 8.064 -1.460 1.857 1.00 0.00 O ATOM 166 CB LEU A 13 9.621 -0.869 -0.865 1.00 0.00 C ATOM 167 CG LEU A 13 8.719 -1.689 -1.787 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.360 -0.858 -3.021 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.458 -2.955 -2.225 1.00 0.00 C ATOM 0 H LEU A 13 9.912 1.610 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 13 7.723 -0.039 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.274 -0.226 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.264 -1.531 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 13 7.808 -1.963 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.717 -1.443 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.836 0.046 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.271 -0.585 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.817 -3.542 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.368 -2.679 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.716 -3.548 -1.347 1.00 0.00 H new ATOM 181 N TYR A 14 9.747 -0.120 2.285 1.00 0.00 N ATOM 182 CA TYR A 14 9.858 -0.639 3.676 1.00 0.00 C ATOM 183 C TYR A 14 8.557 -0.339 4.419 1.00 0.00 C ATOM 184 O TYR A 14 8.005 -1.183 5.096 1.00 0.00 O ATOM 185 CB TYR A 14 11.031 0.048 4.383 1.00 0.00 C ATOM 186 CG TYR A 14 10.935 -0.213 5.906 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.860 -1.536 6.415 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.917 0.864 6.823 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.774 -1.759 7.796 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.829 0.623 8.199 1.00 0.00 C ATOM 191 CZ TYR A 14 10.759 -0.683 8.684 1.00 0.00 C ATOM 192 OH TYR A 14 10.674 -0.911 10.042 1.00 0.00 O ATOM 0 H TYR A 14 10.420 0.604 2.035 1.00 0.00 H new ATOM 0 HA TYR A 14 10.032 -1.715 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.977 -0.332 3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.013 1.120 4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.869 -2.375 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.972 1.879 6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.719 -2.769 8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.815 1.453 8.889 1.00 0.00 H new ATOM 0 HH TYR A 14 10.676 -0.055 10.518 1.00 0.00 H new ATOM 202 N GLN A 15 8.058 0.858 4.287 1.00 0.00 N ATOM 203 CA GLN A 15 6.789 1.215 4.975 1.00 0.00 C ATOM 204 C GLN A 15 5.663 0.319 4.461 1.00 0.00 C ATOM 205 O GLN A 15 4.980 -0.331 5.226 1.00 0.00 O ATOM 206 CB GLN A 15 6.450 2.678 4.684 1.00 0.00 C ATOM 207 CG GLN A 15 7.113 3.575 5.730 1.00 0.00 C ATOM 208 CD GLN A 15 6.101 4.606 6.228 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.188 5.771 5.894 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.135 4.224 7.016 1.00 0.00 N ATOM 0 H GLN A 15 8.476 1.605 3.731 1.00 0.00 H new ATOM 0 HA GLN A 15 6.903 1.074 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.794 2.950 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.370 2.822 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.476 2.974 6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.979 4.078 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.062 3.246 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.452 4.903 7.352 1.00 0.00 H new ATOM 219 N LEU A 16 5.463 0.274 3.172 1.00 0.00 N ATOM 220 CA LEU A 16 4.379 -0.586 2.627 1.00 0.00 C ATOM 221 C LEU A 16 4.519 -1.995 3.194 1.00 0.00 C ATOM 222 O LEU A 16 3.547 -2.645 3.517 1.00 0.00 O ATOM 223 CB LEU A 16 4.477 -0.644 1.105 1.00 0.00 C ATOM 224 CG LEU A 16 4.190 0.731 0.494 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.121 1.475 1.303 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.476 1.558 0.458 1.00 0.00 C ATOM 0 H LEU A 16 6.001 0.793 2.478 1.00 0.00 H new ATOM 0 HA LEU A 16 3.413 -0.167 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.472 -0.978 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.768 -1.376 0.717 1.00 0.00 H new ATOM 0 HG LEU A 16 3.818 0.587 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.934 2.449 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.199 0.894 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.469 1.612 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.268 2.535 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.855 1.686 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.223 1.043 -0.146 1.00 0.00 H new ATOM 238 N GLU A 17 5.722 -2.473 3.331 1.00 0.00 N ATOM 239 CA GLU A 17 5.906 -3.833 3.894 1.00 0.00 C ATOM 240 C GLU A 17 5.081 -3.930 5.177 1.00 0.00 C ATOM 241 O GLU A 17 4.535 -4.965 5.504 1.00 0.00 O ATOM 242 CB GLU A 17 7.384 -4.060 4.207 1.00 0.00 C ATOM 243 CG GLU A 17 8.022 -4.896 3.095 1.00 0.00 C ATOM 244 CD GLU A 17 8.884 -5.998 3.714 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.320 -6.898 4.314 1.00 0.00 O ATOM 246 OE2 GLU A 17 10.094 -5.922 3.579 1.00 0.00 O ATOM 0 H GLU A 17 6.580 -1.983 3.079 1.00 0.00 H new ATOM 0 HA GLU A 17 5.580 -4.590 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.898 -3.103 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.489 -4.570 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.248 -5.336 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.632 -4.261 2.452 1.00 0.00 H new ATOM 253 N ASN A 18 4.978 -2.844 5.897 1.00 0.00 N ATOM 254 CA ASN A 18 4.176 -2.852 7.154 1.00 0.00 C ATOM 255 C ASN A 18 2.687 -2.841 6.798 1.00 0.00 C ATOM 256 O ASN A 18 1.845 -3.231 7.582 1.00 0.00 O ATOM 257 CB ASN A 18 4.511 -1.605 7.977 1.00 0.00 C ATOM 258 CG ASN A 18 4.998 -2.019 9.366 1.00 0.00 C ATOM 259 OD1 ASN A 18 5.888 -2.837 9.491 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.451 -1.484 10.423 1.00 0.00 N ATOM 0 H ASN A 18 5.415 -1.951 5.668 1.00 0.00 H new ATOM 0 HA ASN A 18 4.409 -3.745 7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.279 -1.020 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.631 -0.968 8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.770 -1.752 11.354 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.704 -0.797 10.318 1.00 0.00 H new ATOM 267 N TYR A 19 2.361 -2.396 5.614 1.00 0.00 N ATOM 268 CA TYR A 19 0.933 -2.351 5.187 1.00 0.00 C ATOM 269 C TYR A 19 0.405 -3.779 5.023 1.00 0.00 C ATOM 270 O TYR A 19 -0.787 -4.008 4.975 1.00 0.00 O ATOM 271 CB TYR A 19 0.831 -1.622 3.843 1.00 0.00 C ATOM 272 CG TYR A 19 1.047 -0.092 4.063 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.171 0.402 4.790 1.00 0.00 C ATOM 274 CD2 TYR A 19 0.137 0.856 3.528 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.355 1.778 4.961 1.00 0.00 C ATOM 276 CE2 TYR A 19 0.344 2.226 3.707 1.00 0.00 C ATOM 277 CZ TYR A 19 1.449 2.687 4.419 1.00 0.00 C ATOM 278 OH TYR A 19 1.645 4.042 4.589 1.00 0.00 O ATOM 0 H TYR A 19 3.028 -2.059 4.920 1.00 0.00 H new ATOM 0 HA TYR A 19 0.344 -1.826 5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.577 -2.009 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.146 -1.801 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.884 -0.291 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.726 0.514 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.207 2.139 5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.358 2.933 3.290 1.00 0.00 H new ATOM 0 HH TYR A 19 1.918 4.442 3.737 1.00 0.00 H new ATOM 288 N CYS A 20 1.285 -4.739 4.930 1.00 0.00 N ATOM 289 CA CYS A 20 0.835 -6.150 4.761 1.00 0.00 C ATOM 290 C CYS A 20 0.468 -6.737 6.124 1.00 0.00 C ATOM 291 O CYS A 20 0.926 -7.798 6.499 1.00 0.00 O ATOM 292 CB CYS A 20 1.963 -6.976 4.137 1.00 0.00 C ATOM 293 SG CYS A 20 2.840 -5.974 2.910 1.00 0.00 S ATOM 0 H CYS A 20 2.296 -4.607 4.964 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.038 -6.175 4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.654 -7.309 4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.555 -7.871 3.667 1.00 0.00 H new ATOM 298 N ASN A 21 -0.356 -6.054 6.868 1.00 0.00 N ATOM 299 CA ASN A 21 -0.756 -6.570 8.207 1.00 0.00 C ATOM 300 C ASN A 21 -2.270 -6.786 8.239 1.00 0.00 C ATOM 301 O ASN A 21 -2.805 -7.240 7.241 1.00 0.00 O ATOM 302 CB ASN A 21 -0.365 -5.552 9.280 1.00 0.00 C ATOM 303 CG ASN A 21 -0.195 -6.263 10.624 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.742 -7.327 10.836 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.547 -5.716 11.548 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.869 -6.494 9.260 1.00 0.00 O ATOM 0 H ASN A 21 -0.770 -5.159 6.607 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.250 -7.516 8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.563 -5.053 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.131 -4.780 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.667 -6.182 12.447 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.006 -4.823 11.371 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 7.896 -1.254 -7.512 1.00 0.00 N ATOM 315 CA PHE B 22 8.800 -0.453 -6.640 1.00 0.00 C ATOM 316 C PHE B 22 8.030 0.733 -6.056 1.00 0.00 C ATOM 317 O PHE B 22 6.817 0.721 -5.979 1.00 0.00 O ATOM 318 CB PHE B 22 9.984 0.059 -7.463 1.00 0.00 C ATOM 319 CG PHE B 22 11.246 -0.049 -6.642 1.00 0.00 C ATOM 320 CD1 PHE B 22 11.591 -1.270 -6.048 1.00 0.00 C ATOM 321 CD2 PHE B 22 12.069 1.071 -6.472 1.00 0.00 C ATOM 322 CE1 PHE B 22 12.761 -1.371 -5.284 1.00 0.00 C ATOM 323 CE2 PHE B 22 13.239 0.971 -5.708 1.00 0.00 C ATOM 324 CZ PHE B 22 13.585 -0.250 -5.114 1.00 0.00 C ATOM 0 HA PHE B 22 9.168 -1.080 -5.828 1.00 0.00 H new ATOM 0 HB2 PHE B 22 10.082 -0.522 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.816 1.095 -7.758 1.00 0.00 H new ATOM 0 HD1 PHE B 22 10.955 -2.133 -6.179 1.00 0.00 H new ATOM 0 HD2 PHE B 22 11.802 2.012 -6.930 1.00 0.00 H new ATOM 0 HE1 PHE B 22 13.028 -2.312 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE B 22 13.874 1.835 -5.577 1.00 0.00 H new ATOM 0 HZ PHE B 22 14.487 -0.327 -4.525 1.00 0.00 H new ATOM 336 N VAL B 23 8.725 1.755 -5.638 1.00 0.00 N ATOM 337 CA VAL B 23 8.035 2.938 -5.053 1.00 0.00 C ATOM 338 C VAL B 23 8.477 4.206 -5.787 1.00 0.00 C ATOM 339 O VAL B 23 8.879 4.165 -6.932 1.00 0.00 O ATOM 340 CB VAL B 23 8.371 3.025 -3.552 1.00 0.00 C ATOM 341 CG1 VAL B 23 9.651 3.837 -3.325 1.00 0.00 C ATOM 342 CG2 VAL B 23 7.207 3.684 -2.807 1.00 0.00 C ATOM 0 H VAL B 23 9.742 1.821 -5.677 1.00 0.00 H new ATOM 0 HA VAL B 23 6.956 2.837 -5.166 1.00 0.00 H new ATOM 0 HB VAL B 23 8.531 2.016 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.867 3.884 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.482 3.358 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.515 4.847 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.443 3.746 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL B 23 7.044 4.687 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL B 23 6.304 3.089 -2.943 1.00 0.00 H new ATOM 352 N ASN B 24 8.386 5.322 -5.125 1.00 0.00 N ATOM 353 CA ASN B 24 8.779 6.626 -5.743 1.00 0.00 C ATOM 354 C ASN B 24 7.589 7.210 -6.508 1.00 0.00 C ATOM 355 O ASN B 24 7.696 8.232 -7.157 1.00 0.00 O ATOM 356 CB ASN B 24 9.958 6.427 -6.698 1.00 0.00 C ATOM 357 CG ASN B 24 10.829 7.685 -6.698 1.00 0.00 C ATOM 358 OD1 ASN B 24 11.996 7.656 -6.115 1.00 0.00 O flip ATOM 359 ND2 ASN B 24 10.443 8.704 -7.234 1.00 0.00 N flip ATOM 0 H ASN B 24 8.050 5.392 -4.164 1.00 0.00 H new ATOM 0 HA ASN B 24 9.079 7.315 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN B 24 10.547 5.563 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN B 24 9.594 6.223 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN B 24 9.531 8.726 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN B 24 11.031 9.537 -7.229 1.00 0.00 H new ATOM 366 N GLN B 25 6.452 6.574 -6.429 1.00 0.00 N ATOM 367 CA GLN B 25 5.251 7.094 -7.141 1.00 0.00 C ATOM 368 C GLN B 25 4.146 7.353 -6.119 1.00 0.00 C ATOM 369 O GLN B 25 4.103 6.739 -5.071 1.00 0.00 O ATOM 370 CB GLN B 25 4.772 6.056 -8.157 1.00 0.00 C ATOM 371 CG GLN B 25 4.383 6.753 -9.463 1.00 0.00 C ATOM 372 CD GLN B 25 5.600 7.483 -10.036 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.577 6.862 -10.402 1.00 0.00 O ATOM 374 NE2 GLN B 25 5.579 8.784 -10.131 1.00 0.00 N ATOM 0 H GLN B 25 6.303 5.714 -5.900 1.00 0.00 H new ATOM 0 HA GLN B 25 5.500 8.019 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.559 5.326 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN B 25 3.918 5.509 -7.757 1.00 0.00 H new ATOM 0 HG2 GLN B 25 4.013 6.021 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN B 25 3.573 7.460 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.758 9.305 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.384 9.281 -10.513 1.00 0.00 H new ATOM 383 N HIS B 26 3.250 8.254 -6.408 1.00 0.00 N ATOM 384 CA HIS B 26 2.158 8.536 -5.440 1.00 0.00 C ATOM 385 C HIS B 26 1.128 7.409 -5.570 1.00 0.00 C ATOM 386 O HIS B 26 1.159 6.659 -6.525 1.00 0.00 O ATOM 387 CB HIS B 26 1.519 9.883 -5.784 1.00 0.00 C ATOM 388 CG HIS B 26 1.344 10.674 -4.521 1.00 0.00 C ATOM 389 ND1 HIS B 26 2.216 10.519 -3.466 1.00 0.00 N ATOM 390 CD2 HIS B 26 0.441 11.640 -4.170 1.00 0.00 C ATOM 391 CE1 HIS B 26 1.834 11.381 -2.519 1.00 0.00 C ATOM 392 NE2 HIS B 26 0.750 12.091 -2.903 1.00 0.00 N ATOM 0 H HIS B 26 3.227 8.803 -7.267 1.00 0.00 H new ATOM 0 HA HIS B 26 2.535 8.584 -4.419 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.147 10.430 -6.487 1.00 0.00 H new ATOM 0 HB3 HIS B 26 0.555 9.730 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -0.377 11.991 -4.782 1.00 0.00 H new ATOM 0 HE1 HIS B 26 2.329 11.496 -1.566 1.00 0.00 H new ATOM 0 HE2 HIS B 26 0.262 12.810 -2.368 1.00 0.00 H new ATOM 400 N LEU B 27 0.226 7.253 -4.637 1.00 0.00 N ATOM 401 CA LEU B 27 -0.758 6.135 -4.787 1.00 0.00 C ATOM 402 C LEU B 27 -2.000 6.315 -3.908 1.00 0.00 C ATOM 403 O LEU B 27 -1.922 6.567 -2.723 1.00 0.00 O ATOM 404 CB LEU B 27 -0.102 4.795 -4.426 1.00 0.00 C ATOM 405 CG LEU B 27 1.178 5.003 -3.606 1.00 0.00 C ATOM 406 CD1 LEU B 27 0.900 5.875 -2.379 1.00 0.00 C ATOM 407 CD2 LEU B 27 1.680 3.642 -3.133 1.00 0.00 C ATOM 0 H LEU B 27 0.126 7.830 -3.802 1.00 0.00 H new ATOM 0 HA LEU B 27 -1.073 6.145 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.805 4.185 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU B 27 0.133 4.246 -5.338 1.00 0.00 H new ATOM 0 HG LEU B 27 1.921 5.499 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.821 6.010 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU B 27 0.527 6.847 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.154 5.390 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.590 3.773 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU B 27 0.917 3.167 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU B 27 1.891 3.012 -3.997 1.00 0.00 H new ATOM 419 N CYS B 28 -3.151 6.124 -4.489 1.00 0.00 N ATOM 420 CA CYS B 28 -4.419 6.215 -3.718 1.00 0.00 C ATOM 421 C CYS B 28 -5.348 5.080 -4.160 1.00 0.00 C ATOM 422 O CYS B 28 -5.238 4.569 -5.258 1.00 0.00 O ATOM 423 CB CYS B 28 -5.110 7.559 -3.976 1.00 0.00 C ATOM 424 SG CYS B 28 -4.872 8.664 -2.561 1.00 0.00 S ATOM 0 H CYS B 28 -3.267 5.906 -5.479 1.00 0.00 H new ATOM 0 HA CYS B 28 -4.196 6.134 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -4.704 8.018 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -6.175 7.402 -4.149 1.00 0.00 H new ATOM 429 N GLY B 29 -6.263 4.692 -3.313 1.00 0.00 N ATOM 430 CA GLY B 29 -7.217 3.600 -3.669 1.00 0.00 C ATOM 431 C GLY B 29 -6.523 2.513 -4.497 1.00 0.00 C ATOM 432 O GLY B 29 -5.642 1.821 -4.026 1.00 0.00 O ATOM 0 H GLY B 29 -6.392 5.088 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -7.630 3.162 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -8.054 4.013 -4.232 1.00 0.00 H new ATOM 436 N SER B 30 -6.934 2.350 -5.725 1.00 0.00 N ATOM 437 CA SER B 30 -6.330 1.301 -6.596 1.00 0.00 C ATOM 438 C SER B 30 -4.802 1.352 -6.530 1.00 0.00 C ATOM 439 O SER B 30 -4.168 0.427 -6.063 1.00 0.00 O ATOM 440 CB SER B 30 -6.777 1.522 -8.040 1.00 0.00 C ATOM 441 OG SER B 30 -8.066 0.953 -8.223 1.00 0.00 O ATOM 0 H SER B 30 -7.669 2.903 -6.166 1.00 0.00 H new ATOM 0 HA SER B 30 -6.663 0.325 -6.244 1.00 0.00 H new ATOM 0 HB2 SER B 30 -6.802 2.588 -8.266 1.00 0.00 H new ATOM 0 HB3 SER B 30 -6.064 1.066 -8.728 1.00 0.00 H new ATOM 0 HG SER B 30 -8.358 1.094 -9.148 1.00 0.00 H new ATOM 447 N ASP B 31 -4.203 2.411 -7.010 1.00 0.00 N ATOM 448 CA ASP B 31 -2.713 2.493 -6.983 1.00 0.00 C ATOM 449 C ASP B 31 -2.201 1.984 -5.638 1.00 0.00 C ATOM 450 O ASP B 31 -1.199 1.303 -5.563 1.00 0.00 O ATOM 451 CB ASP B 31 -2.260 3.940 -7.181 1.00 0.00 C ATOM 452 CG ASP B 31 -3.103 4.602 -8.272 1.00 0.00 C ATOM 453 OD1 ASP B 31 -2.910 4.264 -9.429 1.00 0.00 O ATOM 454 OD2 ASP B 31 -3.924 5.437 -7.933 1.00 0.00 O ATOM 0 H ASP B 31 -4.678 3.217 -7.417 1.00 0.00 H new ATOM 0 HA ASP B 31 -2.310 1.880 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -2.359 4.493 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -1.206 3.966 -7.457 1.00 0.00 H new ATOM 459 N LEU B 32 -2.885 2.301 -4.573 1.00 0.00 N ATOM 460 CA LEU B 32 -2.431 1.819 -3.239 1.00 0.00 C ATOM 461 C LEU B 32 -2.555 0.296 -3.193 1.00 0.00 C ATOM 462 O LEU B 32 -1.571 -0.413 -3.263 1.00 0.00 O ATOM 463 CB LEU B 32 -3.294 2.443 -2.142 1.00 0.00 C ATOM 464 CG LEU B 32 -2.394 2.958 -1.017 1.00 0.00 C ATOM 465 CD1 LEU B 32 -2.145 4.454 -1.204 1.00 0.00 C ATOM 466 CD2 LEU B 32 -3.078 2.720 0.329 1.00 0.00 C ATOM 0 H LEU B 32 -3.732 2.869 -4.568 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.393 2.108 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -3.887 3.261 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -3.995 1.705 -1.752 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.442 2.427 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.504 4.819 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.658 4.625 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.096 4.987 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.438 3.086 1.132 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -4.030 3.251 0.352 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.254 1.653 0.464 1.00 0.00 H new ATOM 478 N VAL B 33 -3.753 -0.218 -3.088 1.00 0.00 N ATOM 479 CA VAL B 33 -3.920 -1.700 -3.053 1.00 0.00 C ATOM 480 C VAL B 33 -3.023 -2.319 -4.123 1.00 0.00 C ATOM 481 O VAL B 33 -2.555 -3.432 -3.993 1.00 0.00 O ATOM 482 CB VAL B 33 -5.378 -2.068 -3.333 1.00 0.00 C ATOM 483 CG1 VAL B 33 -6.287 -1.323 -2.357 1.00 0.00 C ATOM 484 CG2 VAL B 33 -5.742 -1.679 -4.768 1.00 0.00 C ATOM 0 H VAL B 33 -4.617 0.321 -3.025 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.644 -2.077 -2.068 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.510 -3.143 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -7.326 -1.585 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.031 -1.603 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.153 -0.249 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.781 -1.943 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -5.609 -0.605 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.095 -2.212 -5.465 1.00 0.00 H new ATOM 494 N GLU B 34 -2.769 -1.592 -5.178 1.00 0.00 N ATOM 495 CA GLU B 34 -1.891 -2.118 -6.255 1.00 0.00 C ATOM 496 C GLU B 34 -0.435 -1.994 -5.810 1.00 0.00 C ATOM 497 O GLU B 34 0.262 -2.978 -5.668 1.00 0.00 O ATOM 498 CB GLU B 34 -2.110 -1.308 -7.534 1.00 0.00 C ATOM 499 CG GLU B 34 -3.023 -2.087 -8.483 1.00 0.00 C ATOM 500 CD GLU B 34 -4.366 -1.367 -8.610 1.00 0.00 C ATOM 501 OE1 GLU B 34 -4.486 -0.530 -9.489 1.00 0.00 O ATOM 502 OE2 GLU B 34 -5.253 -1.666 -7.827 1.00 0.00 O ATOM 0 H GLU B 34 -3.135 -0.653 -5.338 1.00 0.00 H new ATOM 0 HA GLU B 34 -2.128 -3.164 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -2.556 -0.343 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -1.154 -1.106 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -2.554 -2.178 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.176 -3.099 -8.108 1.00 0.00 H new ATOM 509 N ALA B 35 0.027 -0.795 -5.572 1.00 0.00 N ATOM 510 CA ALA B 35 1.435 -0.623 -5.120 1.00 0.00 C ATOM 511 C ALA B 35 1.636 -1.447 -3.850 1.00 0.00 C ATOM 512 O ALA B 35 2.656 -2.079 -3.653 1.00 0.00 O ATOM 513 CB ALA B 35 1.701 0.854 -4.821 1.00 0.00 C ATOM 0 H ALA B 35 -0.508 0.068 -5.671 1.00 0.00 H new ATOM 0 HA ALA B 35 2.123 -0.956 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.732 0.978 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.536 1.443 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA B 35 1.025 1.194 -4.037 1.00 0.00 H new ATOM 519 N LEU B 36 0.653 -1.450 -2.996 1.00 0.00 N ATOM 520 CA LEU B 36 0.742 -2.235 -1.735 1.00 0.00 C ATOM 521 C LEU B 36 0.827 -3.719 -2.084 1.00 0.00 C ATOM 522 O LEU B 36 1.470 -4.502 -1.412 1.00 0.00 O ATOM 523 CB LEU B 36 -0.531 -1.989 -0.919 1.00 0.00 C ATOM 524 CG LEU B 36 -0.503 -0.600 -0.264 1.00 0.00 C ATOM 525 CD1 LEU B 36 0.121 -0.721 1.119 1.00 0.00 C ATOM 526 CD2 LEU B 36 0.317 0.391 -1.102 1.00 0.00 C ATOM 0 H LEU B 36 -0.219 -0.936 -3.120 1.00 0.00 H new ATOM 0 HA LEU B 36 1.621 -1.936 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.404 -2.073 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.629 -2.756 -0.151 1.00 0.00 H new ATOM 0 HG LEU B 36 -1.525 -0.227 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.146 0.260 1.594 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -0.472 -1.404 1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.137 -1.106 1.027 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.319 1.366 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.341 0.029 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.126 0.483 -2.094 1.00 0.00 H new ATOM 538 N TYR B 37 0.164 -4.103 -3.135 1.00 0.00 N ATOM 539 CA TYR B 37 0.166 -5.530 -3.557 1.00 0.00 C ATOM 540 C TYR B 37 1.497 -5.877 -4.232 1.00 0.00 C ATOM 541 O TYR B 37 1.892 -7.025 -4.283 1.00 0.00 O ATOM 542 CB TYR B 37 -0.987 -5.758 -4.538 1.00 0.00 C ATOM 543 CG TYR B 37 -0.910 -7.200 -5.094 1.00 0.00 C ATOM 544 CD1 TYR B 37 -0.758 -8.309 -4.221 1.00 0.00 C ATOM 545 CD2 TYR B 37 -0.988 -7.445 -6.485 1.00 0.00 C ATOM 546 CE1 TYR B 37 -0.689 -9.610 -4.734 1.00 0.00 C ATOM 547 CE2 TYR B 37 -0.919 -8.752 -6.982 1.00 0.00 C ATOM 548 CZ TYR B 37 -0.771 -9.830 -6.109 1.00 0.00 C ATOM 549 OH TYR B 37 -0.706 -11.116 -6.605 1.00 0.00 O ATOM 0 H TYR B 37 -0.387 -3.482 -3.728 1.00 0.00 H new ATOM 0 HA TYR B 37 0.041 -6.169 -2.683 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -1.942 -5.600 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -0.932 -5.038 -5.355 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.695 -8.148 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -1.102 -6.617 -7.169 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.572 -10.447 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.981 -8.926 -8.046 1.00 0.00 H new ATOM 0 HH TYR B 37 -0.779 -11.094 -7.582 1.00 0.00 H new ATOM 559 N LEU B 38 2.201 -4.901 -4.741 1.00 0.00 N ATOM 560 CA LEU B 38 3.509 -5.205 -5.394 1.00 0.00 C ATOM 561 C LEU B 38 4.545 -5.461 -4.305 1.00 0.00 C ATOM 562 O LEU B 38 5.207 -6.480 -4.286 1.00 0.00 O ATOM 563 CB LEU B 38 3.979 -4.034 -6.266 1.00 0.00 C ATOM 564 CG LEU B 38 2.787 -3.189 -6.705 1.00 0.00 C ATOM 565 CD1 LEU B 38 3.268 -2.078 -7.640 1.00 0.00 C ATOM 566 CD2 LEU B 38 1.771 -4.063 -7.440 1.00 0.00 C ATOM 0 H LEU B 38 1.932 -3.917 -4.734 1.00 0.00 H new ATOM 0 HA LEU B 38 3.389 -6.080 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU B 38 4.685 -3.418 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU B 38 4.507 -4.412 -7.141 1.00 0.00 H new ATOM 0 HG LEU B 38 2.315 -2.752 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.417 -1.473 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU B 38 3.987 -1.448 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU B 38 3.743 -2.520 -8.516 1.00 0.00 H new ATOM 0 HD21 LEU B 38 0.923 -3.453 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.240 -4.506 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU B 38 1.424 -4.855 -6.776 1.00 0.00 H new ATOM 578 N VAL B 39 4.680 -4.544 -3.390 1.00 0.00 N ATOM 579 CA VAL B 39 5.660 -4.727 -2.289 1.00 0.00 C ATOM 580 C VAL B 39 5.383 -6.064 -1.601 1.00 0.00 C ATOM 581 O VAL B 39 6.277 -6.721 -1.105 1.00 0.00 O ATOM 582 CB VAL B 39 5.503 -3.580 -1.285 1.00 0.00 C ATOM 583 CG1 VAL B 39 5.334 -2.262 -2.043 1.00 0.00 C ATOM 584 CG2 VAL B 39 4.266 -3.817 -0.411 1.00 0.00 C ATOM 0 H VAL B 39 4.151 -3.673 -3.358 1.00 0.00 H new ATOM 0 HA VAL B 39 6.677 -4.724 -2.681 1.00 0.00 H new ATOM 0 HB VAL B 39 6.390 -3.535 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL B 39 5.222 -1.444 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL B 39 6.212 -2.084 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.447 -2.317 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.161 -2.998 0.300 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.379 -3.866 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.378 -4.756 0.131 1.00 0.00 H new ATOM 594 N CYS B 40 4.141 -6.463 -1.562 1.00 0.00 N ATOM 595 CA CYS B 40 3.786 -7.749 -0.902 1.00 0.00 C ATOM 596 C CYS B 40 3.064 -8.660 -1.900 1.00 0.00 C ATOM 597 O CYS B 40 2.118 -9.341 -1.559 1.00 0.00 O ATOM 598 CB CYS B 40 2.862 -7.467 0.283 1.00 0.00 C ATOM 599 SG CYS B 40 3.846 -7.324 1.795 1.00 0.00 S ATOM 0 H CYS B 40 3.354 -5.951 -1.961 1.00 0.00 H new ATOM 0 HA CYS B 40 4.694 -8.241 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.304 -6.547 0.111 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.131 -8.269 0.387 1.00 0.00 H new ATOM 604 N GLY B 41 3.501 -8.677 -3.129 1.00 0.00 N ATOM 605 CA GLY B 41 2.836 -9.543 -4.145 1.00 0.00 C ATOM 606 C GLY B 41 2.770 -10.986 -3.637 1.00 0.00 C ATOM 607 O GLY B 41 1.850 -11.718 -3.941 1.00 0.00 O ATOM 0 H GLY B 41 4.289 -8.129 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY B 41 1.831 -9.174 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.386 -9.504 -5.085 1.00 0.00 H new ATOM 611 N GLU B 42 3.741 -11.403 -2.870 1.00 0.00 N ATOM 612 CA GLU B 42 3.733 -12.802 -2.352 1.00 0.00 C ATOM 613 C GLU B 42 2.809 -12.903 -1.135 1.00 0.00 C ATOM 614 O GLU B 42 2.755 -13.918 -0.469 1.00 0.00 O ATOM 615 CB GLU B 42 5.153 -13.199 -1.947 1.00 0.00 C ATOM 616 CG GLU B 42 5.636 -12.281 -0.823 1.00 0.00 C ATOM 617 CD GLU B 42 7.164 -12.215 -0.838 1.00 0.00 C ATOM 618 OE1 GLU B 42 7.774 -13.164 -1.302 1.00 0.00 O ATOM 619 OE2 GLU B 42 7.699 -11.216 -0.385 1.00 0.00 O ATOM 0 H GLU B 42 4.538 -10.837 -2.580 1.00 0.00 H new ATOM 0 HA GLU B 42 3.371 -13.472 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU B 42 5.172 -14.238 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU B 42 5.822 -13.125 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU B 42 5.217 -11.283 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU B 42 5.287 -12.653 0.140 1.00 0.00 H new ATOM 626 N ARG B 43 2.081 -11.861 -0.839 1.00 0.00 N ATOM 627 CA ARG B 43 1.162 -11.903 0.333 1.00 0.00 C ATOM 628 C ARG B 43 -0.285 -11.769 -0.163 1.00 0.00 C ATOM 629 O ARG B 43 -0.577 -11.001 -1.057 1.00 0.00 O ATOM 630 CB ARG B 43 1.535 -10.761 1.303 1.00 0.00 C ATOM 631 CG ARG B 43 0.293 -9.978 1.754 1.00 0.00 C ATOM 632 CD ARG B 43 -0.072 -8.945 0.686 1.00 0.00 C ATOM 633 NE ARG B 43 -1.528 -9.027 0.387 1.00 0.00 N ATOM 634 CZ ARG B 43 -2.181 -7.955 0.030 1.00 0.00 C ATOM 635 NH1 ARG B 43 -1.962 -6.824 0.643 1.00 0.00 N ATOM 636 NH2 ARG B 43 -3.049 -8.013 -0.942 1.00 0.00 N ATOM 0 H ARG B 43 2.083 -10.983 -1.358 1.00 0.00 H new ATOM 0 HA ARG B 43 1.255 -12.849 0.866 1.00 0.00 H new ATOM 0 HB2 ARG B 43 2.043 -11.174 2.175 1.00 0.00 H new ATOM 0 HB3 ARG B 43 2.237 -10.084 0.817 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -0.542 -10.660 1.916 1.00 0.00 H new ATOM 0 HG3 ARG B 43 0.488 -9.481 2.704 1.00 0.00 H new ATOM 0 HD2 ARG B 43 0.182 -7.943 1.033 1.00 0.00 H new ATOM 0 HD3 ARG B 43 0.506 -9.125 -0.220 1.00 0.00 H new ATOM 0 HE ARG B 43 -2.015 -9.920 0.461 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -1.281 -6.778 1.401 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -2.472 -5.986 0.364 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.218 -8.896 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -3.559 -7.175 -1.221 1.00 0.00 H new ATOM 650 N GLY B 44 -1.189 -12.514 0.413 1.00 0.00 N ATOM 651 CA GLY B 44 -2.610 -12.432 -0.024 1.00 0.00 C ATOM 652 C GLY B 44 -3.424 -11.660 1.015 1.00 0.00 C ATOM 653 O GLY B 44 -3.083 -11.620 2.181 1.00 0.00 O ATOM 0 H GLY B 44 -1.004 -13.175 1.167 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -2.675 -11.936 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -3.020 -13.434 -0.151 1.00 0.00 H new ATOM 657 N GLY B 45 -4.498 -11.045 0.602 1.00 0.00 N ATOM 658 CA GLY B 45 -5.335 -10.275 1.566 1.00 0.00 C ATOM 659 C GLY B 45 -6.755 -10.141 1.013 1.00 0.00 C ATOM 660 O GLY B 45 -7.220 -10.978 0.264 1.00 0.00 O ATOM 0 H GLY B 45 -4.833 -11.042 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -5.355 -10.781 2.531 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -4.903 -9.288 1.732 1.00 0.00 H new ATOM 664 N PHE B 46 -7.449 -9.098 1.376 1.00 0.00 N ATOM 665 CA PHE B 46 -8.837 -8.918 0.870 1.00 0.00 C ATOM 666 C PHE B 46 -9.232 -7.443 0.966 1.00 0.00 C ATOM 667 O PHE B 46 -10.382 -7.112 1.176 1.00 0.00 O ATOM 668 CB PHE B 46 -9.792 -9.754 1.716 1.00 0.00 C ATOM 669 CG PHE B 46 -10.692 -10.605 0.767 1.00 0.00 C ATOM 670 CD1 PHE B 46 -10.216 -11.821 0.202 1.00 0.00 C ATOM 671 CD2 PHE B 46 -12.010 -10.189 0.435 1.00 0.00 C ATOM 672 CE1 PHE B 46 -11.032 -12.578 -0.648 1.00 0.00 C ATOM 673 CE2 PHE B 46 -12.808 -10.961 -0.419 1.00 0.00 C ATOM 674 CZ PHE B 46 -12.321 -12.151 -0.955 1.00 0.00 C ATOM 0 H PHE B 46 -7.115 -8.364 2.000 1.00 0.00 H new ATOM 0 HA PHE B 46 -8.890 -9.239 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -9.231 -10.404 2.387 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -10.408 -9.107 2.340 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -9.217 -12.163 0.430 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -12.400 -9.269 0.845 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -10.658 -13.500 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -13.807 -10.632 -0.663 1.00 0.00 H new ATOM 0 HZ PHE B 46 -12.944 -12.743 -1.609 1.00 0.00 H new ATOM 684 N TYR B 47 -8.289 -6.556 0.819 1.00 0.00 N ATOM 685 CA TYR B 47 -8.611 -5.103 0.908 1.00 0.00 C ATOM 686 C TYR B 47 -9.694 -4.757 -0.118 1.00 0.00 C ATOM 687 O TYR B 47 -10.354 -3.741 -0.021 1.00 0.00 O ATOM 688 CB TYR B 47 -7.344 -4.288 0.622 1.00 0.00 C ATOM 689 CG TYR B 47 -7.527 -2.823 1.140 1.00 0.00 C ATOM 690 CD1 TYR B 47 -8.583 -2.470 2.039 1.00 0.00 C ATOM 691 CD2 TYR B 47 -6.641 -1.794 0.729 1.00 0.00 C ATOM 692 CE1 TYR B 47 -8.722 -1.150 2.488 1.00 0.00 C ATOM 693 CE2 TYR B 47 -6.802 -0.482 1.192 1.00 0.00 C ATOM 694 CZ TYR B 47 -7.836 -0.163 2.066 1.00 0.00 C ATOM 695 OH TYR B 47 -7.982 1.133 2.516 1.00 0.00 O ATOM 0 H TYR B 47 -7.308 -6.773 0.641 1.00 0.00 H new ATOM 0 HA TYR B 47 -8.976 -4.866 1.907 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -6.485 -4.751 1.109 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -7.139 -4.282 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -9.278 -3.226 2.374 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -5.833 -2.025 0.051 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -9.523 -0.896 3.167 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -6.118 0.288 0.868 1.00 0.00 H new ATOM 0 HH TYR B 47 -7.281 1.696 2.126 1.00 0.00 H new ATOM 705 N THR B 48 -9.883 -5.598 -1.099 1.00 0.00 N ATOM 706 CA THR B 48 -10.923 -5.325 -2.133 1.00 0.00 C ATOM 707 C THR B 48 -12.302 -5.283 -1.474 1.00 0.00 C ATOM 708 O THR B 48 -13.211 -4.632 -1.948 1.00 0.00 O ATOM 709 CB THR B 48 -10.889 -6.434 -3.190 1.00 0.00 C ATOM 710 OG1 THR B 48 -9.756 -6.252 -4.028 1.00 0.00 O ATOM 711 CG2 THR B 48 -12.163 -6.384 -4.037 1.00 0.00 C ATOM 0 H THR B 48 -9.361 -6.464 -1.229 1.00 0.00 H new ATOM 0 HA THR B 48 -10.724 -4.364 -2.608 1.00 0.00 H new ATOM 0 HB THR B 48 -10.826 -7.402 -2.694 1.00 0.00 H new ATOM 0 HG1 THR B 48 -9.732 -6.961 -4.704 1.00 0.00 H new ATOM 0 HG21 THR B 48 -12.133 -7.175 -4.787 1.00 0.00 H new ATOM 0 HG22 THR B 48 -13.032 -6.525 -3.395 1.00 0.00 H new ATOM 0 HG23 THR B 48 -12.232 -5.416 -4.533 1.00 0.00 H new ATOM 719 N LYS B 49 -12.460 -5.974 -0.385 1.00 0.00 N ATOM 720 CA LYS B 49 -13.775 -5.980 0.313 1.00 0.00 C ATOM 721 C LYS B 49 -13.557 -6.297 1.795 1.00 0.00 C ATOM 722 O LYS B 49 -13.610 -7.442 2.198 1.00 0.00 O ATOM 723 CB LYS B 49 -14.681 -7.043 -0.313 1.00 0.00 C ATOM 724 CG LYS B 49 -16.145 -6.649 -0.109 1.00 0.00 C ATOM 725 CD LYS B 49 -16.874 -6.675 -1.454 1.00 0.00 C ATOM 726 CE LYS B 49 -18.382 -6.555 -1.220 1.00 0.00 C ATOM 727 NZ LYS B 49 -19.082 -6.427 -2.529 1.00 0.00 N ATOM 0 H LYS B 49 -11.733 -6.538 0.056 1.00 0.00 H new ATOM 0 HA LYS B 49 -14.247 -5.003 0.215 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -14.464 -7.140 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -14.488 -8.015 0.142 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -16.623 -7.336 0.589 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -16.207 -5.654 0.331 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -16.527 -5.856 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -16.650 -7.601 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -18.748 -7.431 -0.685 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -18.595 -5.687 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -20.106 -6.346 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -18.741 -5.578 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -18.888 -7.268 -3.110 1.00 0.00 H new ATOM 741 N PRO B 50 -13.310 -5.265 2.560 1.00 0.00 N ATOM 742 CA PRO B 50 -13.069 -5.387 4.005 1.00 0.00 C ATOM 743 C PRO B 50 -14.384 -5.620 4.754 1.00 0.00 C ATOM 744 O PRO B 50 -15.457 -5.517 4.194 1.00 0.00 O ATOM 745 CB PRO B 50 -12.450 -4.040 4.385 1.00 0.00 C ATOM 746 CG PRO B 50 -12.882 -3.040 3.288 1.00 0.00 C ATOM 747 CD PRO B 50 -13.252 -3.881 2.054 1.00 0.00 C ATOM 0 HA PRO B 50 -12.427 -6.230 4.260 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -12.797 -3.715 5.366 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -11.364 -4.113 4.439 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -13.731 -2.443 3.620 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -12.075 -2.345 3.056 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -14.209 -3.571 1.634 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.508 -3.777 1.264 1.00 0.00 H new ATOM 755 N THR B 51 -14.306 -5.936 6.018 1.00 0.00 N ATOM 756 CA THR B 51 -15.547 -6.179 6.804 1.00 0.00 C ATOM 757 C THR B 51 -16.206 -4.840 7.145 1.00 0.00 C ATOM 758 O THR B 51 -17.370 -4.676 6.820 1.00 0.00 O ATOM 759 CB THR B 51 -15.192 -6.918 8.096 1.00 0.00 C ATOM 760 OG1 THR B 51 -13.925 -6.474 8.560 1.00 0.00 O ATOM 761 CG2 THR B 51 -15.139 -8.422 7.824 1.00 0.00 C ATOM 762 OXT THR B 51 -15.535 -4.003 7.726 1.00 0.00 O ATOM 0 H THR B 51 -13.435 -6.036 6.540 1.00 0.00 H new ATOM 0 HA THR B 51 -16.238 -6.783 6.217 1.00 0.00 H new ATOM 0 HB THR B 51 -15.949 -6.713 8.854 1.00 0.00 H new ATOM 0 HG1 THR B 51 -13.884 -5.496 8.513 1.00 0.00 H new ATOM 0 HG21 THR B 51 -14.886 -8.949 8.744 1.00 0.00 H new ATOM 0 HG22 THR B 51 -16.111 -8.762 7.466 1.00 0.00 H new ATOM 0 HG23 THR B 51 -14.382 -8.628 7.068 1.00 0.00 H new TER 770 THR B 51