USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 : amide:sc= 0.972 K(o=1.6,f=0.59) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.593 K(o=1.6,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 1.06 (180deg=0.199) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.146 USER MOD Single : A 12 SER OG : rot 33:sc= 0.101 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 144:sc= 0.293 (180deg=0.0737) USER MOD Single : B 3 ASN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.734 K(o=0.73,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -4:sc= 0.254 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : B 29 LYS NZ :NH3+ -170:sc= 0.718 (180deg=0.578) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00552 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.621 11.487 -1.712 1.00 0.00 N ATOM 2 CA GLY A 1 -1.824 10.272 -2.005 1.00 0.00 C ATOM 3 C GLY A 1 -2.685 9.132 -2.544 1.00 0.00 C ATOM 4 O GLY A 1 -3.910 9.210 -2.523 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.304 11.901 -0.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.492 12.180 -2.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.627 11.233 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.049 10.515 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.318 9.944 -1.097 1.00 0.00 H new ATOM 10 N ILE A 2 -2.110 8.032 -3.043 1.00 0.00 N ATOM 11 CA ILE A 2 -0.673 7.758 -3.255 1.00 0.00 C ATOM 12 C ILE A 2 -0.148 8.183 -4.632 1.00 0.00 C ATOM 13 O ILE A 2 1.063 8.328 -4.754 1.00 0.00 O ATOM 14 CB ILE A 2 -0.346 6.269 -2.982 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.031 5.296 -3.968 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.704 5.940 -1.527 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.607 3.828 -3.823 1.00 0.00 C ATOM 0 H ILE A 2 -2.682 7.240 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.149 8.382 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 2 0.723 6.128 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.110 5.363 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.817 5.622 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.477 4.893 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.123 6.573 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.767 6.119 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.139 3.221 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.466 3.741 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.847 3.478 -2.819 1.00 0.00 H new ATOM 29 N VAL A 3 -0.995 8.453 -5.639 1.00 0.00 N ATOM 30 CA VAL A 3 -0.545 8.899 -6.990 1.00 0.00 C ATOM 31 C VAL A 3 0.421 10.093 -6.914 1.00 0.00 C ATOM 32 O VAL A 3 1.397 10.153 -7.656 1.00 0.00 O ATOM 33 CB VAL A 3 -1.746 9.249 -7.912 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.382 10.070 -9.165 1.00 0.00 C ATOM 35 CG2 VAL A 3 -2.429 7.966 -8.401 1.00 0.00 C ATOM 0 H VAL A 3 -2.008 8.372 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.009 8.055 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.398 9.861 -7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.283 10.266 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.933 11.016 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.672 9.510 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.269 8.224 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.713 7.363 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.791 7.397 -7.544 1.00 0.00 H new ATOM 45 N GLU A 4 0.180 11.020 -5.985 1.00 0.00 N ATOM 46 CA GLU A 4 0.996 12.220 -5.777 1.00 0.00 C ATOM 47 C GLU A 4 2.400 11.916 -5.218 1.00 0.00 C ATOM 48 O GLU A 4 3.290 12.760 -5.323 1.00 0.00 O ATOM 49 CB GLU A 4 0.244 13.173 -4.831 1.00 0.00 C ATOM 50 CG GLU A 4 -1.103 13.650 -5.394 1.00 0.00 C ATOM 51 CD GLU A 4 -1.923 14.349 -4.310 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.662 13.655 -3.571 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.870 15.596 -4.206 1.00 0.00 O ATOM 0 H GLU A 4 -0.607 10.956 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 4 1.153 12.683 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.074 12.670 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.872 14.040 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.934 14.333 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.660 12.800 -5.787 1.00 0.00 H new ATOM 60 N GLN A 5 2.626 10.716 -4.672 1.00 0.00 N ATOM 61 CA GLN A 5 3.961 10.170 -4.443 1.00 0.00 C ATOM 62 C GLN A 5 4.388 9.341 -5.656 1.00 0.00 C ATOM 63 O GLN A 5 5.422 9.628 -6.247 1.00 0.00 O ATOM 64 CB GLN A 5 3.986 9.321 -3.157 1.00 0.00 C ATOM 65 CG GLN A 5 5.400 8.809 -2.819 1.00 0.00 C ATOM 66 CD GLN A 5 5.414 7.711 -1.752 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.694 7.745 -0.760 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.224 6.686 -1.921 1.00 0.00 N ATOM 0 H GLN A 5 1.876 10.092 -4.375 1.00 0.00 H new ATOM 0 HA GLN A 5 4.667 10.990 -4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.609 9.916 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.313 8.472 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.866 8.428 -3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.008 9.646 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.829 6.644 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.246 5.935 -1.232 1.00 0.00 H new ATOM 77 N CYS A 6 3.613 8.323 -6.038 1.00 0.00 N ATOM 78 CA CYS A 6 4.050 7.278 -6.968 1.00 0.00 C ATOM 79 C CYS A 6 4.383 7.772 -8.377 1.00 0.00 C ATOM 80 O CYS A 6 5.227 7.178 -9.049 1.00 0.00 O ATOM 81 CB CYS A 6 2.961 6.203 -7.042 1.00 0.00 C ATOM 82 SG CYS A 6 2.488 5.414 -5.475 1.00 0.00 S ATOM 0 H CYS A 6 2.656 8.200 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 6 4.986 6.883 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.069 6.651 -7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.297 5.425 -7.727 1.00 0.00 H new ATOM 87 N CYS A 7 3.726 8.840 -8.830 1.00 0.00 N ATOM 88 CA CYS A 7 3.868 9.372 -10.193 1.00 0.00 C ATOM 89 C CYS A 7 4.880 10.530 -10.270 1.00 0.00 C ATOM 90 O CYS A 7 5.661 10.604 -11.225 1.00 0.00 O ATOM 91 CB CYS A 7 2.476 9.784 -10.689 1.00 0.00 C ATOM 92 SG CYS A 7 2.371 10.195 -12.450 1.00 0.00 S ATOM 0 H CYS A 7 3.070 9.370 -8.256 1.00 0.00 H new ATOM 0 HA CYS A 7 4.275 8.598 -10.844 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.779 8.972 -10.480 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.143 10.646 -10.111 1.00 0.00 H new ATOM 97 N THR A 8 4.888 11.407 -9.253 1.00 0.00 N ATOM 98 CA THR A 8 5.770 12.588 -9.144 1.00 0.00 C ATOM 99 C THR A 8 7.146 12.219 -8.585 1.00 0.00 C ATOM 100 O THR A 8 8.165 12.717 -9.056 1.00 0.00 O ATOM 101 CB THR A 8 5.092 13.649 -8.263 1.00 0.00 C ATOM 102 OG1 THR A 8 3.788 13.880 -8.759 1.00 0.00 O ATOM 103 CG2 THR A 8 5.826 14.989 -8.267 1.00 0.00 C ATOM 0 H THR A 8 4.260 11.313 -8.455 1.00 0.00 H new ATOM 0 HA THR A 8 5.930 12.992 -10.143 1.00 0.00 H new ATOM 0 HB THR A 8 5.093 13.264 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.342 14.554 -8.205 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.298 15.695 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.840 14.849 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.864 15.380 -9.284 1.00 0.00 H new ATOM 111 N SER A 9 7.174 11.317 -7.608 1.00 0.00 N ATOM 112 CA SER A 9 8.352 10.630 -7.079 1.00 0.00 C ATOM 113 C SER A 9 8.237 9.122 -7.405 1.00 0.00 C ATOM 114 O SER A 9 7.881 8.767 -8.533 1.00 0.00 O ATOM 115 CB SER A 9 8.463 10.949 -5.576 1.00 0.00 C ATOM 116 OG SER A 9 9.666 10.442 -5.010 1.00 0.00 O ATOM 0 H SER A 9 6.320 11.026 -7.133 1.00 0.00 H new ATOM 0 HA SER A 9 9.278 10.972 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.421 12.028 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.608 10.523 -5.051 1.00 0.00 H new ATOM 0 HG SER A 9 9.699 10.667 -4.057 1.00 0.00 H new ATOM 122 N ILE A 10 8.531 8.229 -6.459 1.00 0.00 N ATOM 123 CA ILE A 10 8.503 6.764 -6.615 1.00 0.00 C ATOM 124 C ILE A 10 7.776 6.076 -5.450 1.00 0.00 C ATOM 125 O ILE A 10 7.802 6.557 -4.315 1.00 0.00 O ATOM 126 CB ILE A 10 9.943 6.211 -6.784 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.864 6.563 -5.587 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.531 6.670 -8.129 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.336 6.151 -5.752 1.00 0.00 C ATOM 0 H ILE A 10 8.808 8.514 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 10 7.937 6.537 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 10 9.883 5.123 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.821 7.639 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.468 6.085 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.542 6.276 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.908 6.300 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.560 7.759 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.897 6.440 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.399 5.071 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.758 6.649 -6.625 1.00 0.00 H new ATOM 141 N CYS A 11 7.172 4.915 -5.718 1.00 0.00 N ATOM 142 CA CYS A 11 6.598 4.002 -4.717 1.00 0.00 C ATOM 143 C CYS A 11 7.174 2.595 -4.862 1.00 0.00 C ATOM 144 O CYS A 11 7.646 2.220 -5.933 1.00 0.00 O ATOM 145 CB CYS A 11 5.079 3.931 -4.886 1.00 0.00 C ATOM 146 SG CYS A 11 4.188 5.406 -4.353 1.00 0.00 S ATOM 0 H CYS A 11 7.064 4.570 -6.672 1.00 0.00 H new ATOM 0 HA CYS A 11 6.849 4.389 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.853 3.747 -5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.705 3.075 -4.324 1.00 0.00 H new ATOM 151 N SER A 12 7.101 1.803 -3.795 1.00 0.00 N ATOM 152 CA SER A 12 7.518 0.392 -3.781 1.00 0.00 C ATOM 153 C SER A 12 6.330 -0.569 -3.677 1.00 0.00 C ATOM 154 O SER A 12 5.259 -0.228 -3.172 1.00 0.00 O ATOM 155 CB SER A 12 8.498 0.110 -2.637 1.00 0.00 C ATOM 156 OG SER A 12 9.106 -1.167 -2.786 1.00 0.00 O ATOM 0 H SER A 12 6.744 2.125 -2.895 1.00 0.00 H new ATOM 0 HA SER A 12 8.015 0.217 -4.735 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.267 0.882 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.972 0.157 -1.684 1.00 0.00 H new ATOM 0 HG SER A 12 9.214 -1.369 -3.739 1.00 0.00 H new ATOM 162 N LEU A 13 6.551 -1.815 -4.099 1.00 0.00 N ATOM 163 CA LEU A 13 5.572 -2.903 -4.073 1.00 0.00 C ATOM 164 C LEU A 13 5.069 -3.182 -2.648 1.00 0.00 C ATOM 165 O LEU A 13 3.886 -3.435 -2.442 1.00 0.00 O ATOM 166 CB LEU A 13 6.221 -4.159 -4.683 1.00 0.00 C ATOM 167 CG LEU A 13 6.821 -4.005 -6.104 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.286 -5.380 -6.602 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.856 -3.391 -7.128 1.00 0.00 C ATOM 0 H LEU A 13 7.451 -2.105 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 13 4.700 -2.613 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.012 -4.494 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.472 -4.950 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 13 7.655 -3.308 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.710 -5.281 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.043 -5.775 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.436 -6.062 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.351 -3.317 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.972 -4.023 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.558 -2.396 -6.796 1.00 0.00 H new ATOM 181 N TYR A 14 5.941 -3.043 -1.645 1.00 0.00 N ATOM 182 CA TYR A 14 5.589 -3.134 -0.225 1.00 0.00 C ATOM 183 C TYR A 14 4.593 -2.045 0.225 1.00 0.00 C ATOM 184 O TYR A 14 3.775 -2.276 1.116 1.00 0.00 O ATOM 185 CB TYR A 14 6.883 -3.062 0.594 1.00 0.00 C ATOM 186 CG TYR A 14 6.687 -3.215 2.090 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.315 -4.463 2.623 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.864 -2.112 2.949 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.123 -4.618 4.009 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.667 -2.257 4.337 1.00 0.00 C ATOM 191 CZ TYR A 14 6.296 -3.511 4.873 1.00 0.00 C ATOM 192 OH TYR A 14 6.119 -3.648 6.218 1.00 0.00 O ATOM 0 H TYR A 14 6.932 -2.860 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 14 5.078 -4.083 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.562 -3.841 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.369 -2.106 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.176 -5.308 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.151 -1.153 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.844 -5.580 4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.800 -1.409 4.992 1.00 0.00 H new ATOM 0 HH TYR A 14 6.280 -2.787 6.658 1.00 0.00 H new ATOM 202 N GLN A 15 4.628 -0.870 -0.414 1.00 0.00 N ATOM 203 CA GLN A 15 3.703 0.240 -0.156 1.00 0.00 C ATOM 204 C GLN A 15 2.378 0.022 -0.903 1.00 0.00 C ATOM 205 O GLN A 15 1.318 0.354 -0.367 1.00 0.00 O ATOM 206 CB GLN A 15 4.354 1.577 -0.552 1.00 0.00 C ATOM 207 CG GLN A 15 5.633 1.878 0.252 1.00 0.00 C ATOM 208 CD GLN A 15 6.380 3.118 -0.246 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.470 3.387 -1.438 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.962 3.907 0.633 1.00 0.00 N ATOM 0 H GLN A 15 5.314 -0.660 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 15 3.481 0.274 0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.594 1.558 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.637 2.384 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.371 2.016 1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.298 1.016 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.896 3.697 1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.478 4.728 0.318 1.00 0.00 H new ATOM 219 N LEU A 16 2.412 -0.594 -2.095 1.00 0.00 N ATOM 220 CA LEU A 16 1.209 -1.017 -2.825 1.00 0.00 C ATOM 221 C LEU A 16 0.439 -2.124 -2.082 1.00 0.00 C ATOM 222 O LEU A 16 -0.791 -2.109 -2.056 1.00 0.00 O ATOM 223 CB LEU A 16 1.591 -1.496 -4.238 1.00 0.00 C ATOM 224 CG LEU A 16 2.344 -0.482 -5.120 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.472 -1.056 -6.533 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.684 0.905 -5.169 1.00 0.00 C ATOM 0 H LEU A 16 3.281 -0.813 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 16 0.549 -0.153 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.207 -2.390 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.679 -1.791 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 16 3.325 -0.328 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.004 -0.347 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.025 -1.995 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.479 -1.236 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.270 1.565 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.675 0.814 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.638 1.322 -4.163 1.00 0.00 H new ATOM 238 N GLU A 17 1.156 -3.060 -1.448 1.00 0.00 N ATOM 239 CA GLU A 17 0.563 -4.190 -0.717 1.00 0.00 C ATOM 240 C GLU A 17 -0.357 -3.760 0.446 1.00 0.00 C ATOM 241 O GLU A 17 -1.283 -4.488 0.806 1.00 0.00 O ATOM 242 CB GLU A 17 1.690 -5.121 -0.229 1.00 0.00 C ATOM 243 CG GLU A 17 1.145 -6.443 0.336 1.00 0.00 C ATOM 244 CD GLU A 17 2.233 -7.508 0.517 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.254 -7.244 1.192 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.031 -8.644 0.024 1.00 0.00 O ATOM 0 H GLU A 17 2.176 -3.055 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.088 -4.725 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.368 -5.333 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.273 -4.612 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.667 -6.252 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.375 -6.828 -0.332 1.00 0.00 H new ATOM 253 N ASN A 18 -0.158 -2.557 0.992 1.00 0.00 N ATOM 254 CA ASN A 18 -1.021 -1.971 2.026 1.00 0.00 C ATOM 255 C ASN A 18 -2.501 -1.826 1.591 1.00 0.00 C ATOM 256 O ASN A 18 -3.394 -1.789 2.441 1.00 0.00 O ATOM 257 CB ASN A 18 -0.426 -0.608 2.414 1.00 0.00 C ATOM 258 CG ASN A 18 -1.109 0.003 3.633 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.900 0.933 3.530 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.823 -0.500 4.820 1.00 0.00 N ATOM 0 H ASN A 18 0.619 -1.952 0.725 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.044 -2.649 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.638 -0.725 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.515 0.077 1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.261 -0.114 5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.164 -1.274 4.900 1.00 0.00 H new ATOM 267 N TYR A 19 -2.768 -1.767 0.280 1.00 0.00 N ATOM 268 CA TYR A 19 -4.099 -1.581 -0.311 1.00 0.00 C ATOM 269 C TYR A 19 -4.776 -2.889 -0.768 1.00 0.00 C ATOM 270 O TYR A 19 -5.898 -2.853 -1.279 1.00 0.00 O ATOM 271 CB TYR A 19 -3.956 -0.566 -1.453 1.00 0.00 C ATOM 272 CG TYR A 19 -3.607 0.821 -0.953 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.634 1.678 -0.513 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.261 1.223 -0.847 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.318 2.929 0.055 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.939 2.467 -0.272 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.966 3.319 0.191 1.00 0.00 C ATOM 278 OH TYR A 19 -2.654 4.509 0.781 1.00 0.00 O ATOM 0 H TYR A 19 -2.035 -1.851 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.774 -1.204 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.183 -0.906 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.889 -0.522 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.666 1.376 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.475 0.576 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.107 3.588 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.906 2.770 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.681 4.622 0.795 1.00 0.00 H new ATOM 288 N CYS A 20 -4.132 -4.048 -0.579 1.00 0.00 N ATOM 289 CA CYS A 20 -4.732 -5.368 -0.841 1.00 0.00 C ATOM 290 C CYS A 20 -5.860 -5.731 0.148 1.00 0.00 C ATOM 291 O CYS A 20 -5.952 -5.166 1.244 1.00 0.00 O ATOM 292 CB CYS A 20 -3.654 -6.459 -0.839 1.00 0.00 C ATOM 293 SG CYS A 20 -2.270 -6.218 -1.981 1.00 0.00 S ATOM 0 H CYS A 20 -3.172 -4.099 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.189 -5.307 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.254 -6.543 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.130 -7.411 -1.074 1.00 0.00 H new ATOM 298 N ASN A 21 -6.705 -6.700 -0.231 1.00 0.00 N ATOM 299 CA ASN A 21 -7.860 -7.190 0.537 1.00 0.00 C ATOM 300 C ASN A 21 -8.047 -8.717 0.414 1.00 0.00 C ATOM 301 O ASN A 21 -8.200 -9.220 -0.721 1.00 0.00 O ATOM 302 CB ASN A 21 -9.115 -6.405 0.091 1.00 0.00 C ATOM 303 CG ASN A 21 -10.366 -6.783 0.873 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.311 -7.360 0.349 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.413 -6.471 2.151 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.028 -9.397 1.463 1.00 0.00 O ATOM 0 H ASN A 21 -6.598 -7.186 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.684 -7.013 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.929 -5.337 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.289 -6.583 -0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.236 -6.710 2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.626 -5.991 2.588 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.909 -6.280 -2.455 1.00 0.00 N ATOM 315 CA PHE B 1 10.978 -5.339 -3.134 1.00 0.00 C ATOM 316 C PHE B 1 11.746 -4.404 -4.090 1.00 0.00 C ATOM 317 O PHE B 1 12.932 -4.636 -4.334 1.00 0.00 O ATOM 318 CB PHE B 1 10.110 -4.577 -2.113 1.00 0.00 C ATOM 319 CG PHE B 1 9.363 -5.468 -1.133 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.232 -6.193 -1.556 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.791 -5.566 0.206 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.540 -7.013 -0.650 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.102 -6.394 1.110 1.00 0.00 C ATOM 324 CZ PHE B 1 7.976 -7.120 0.682 1.00 0.00 C ATOM 0 H1 PHE B 1 11.587 -6.444 -1.480 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.927 -7.183 -2.971 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.865 -5.871 -2.439 1.00 0.00 H new ATOM 0 HA PHE B 1 10.287 -5.916 -3.749 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.747 -3.894 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.387 -3.966 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.896 -6.118 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.651 -5.004 0.539 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.670 -7.563 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.438 -6.472 2.134 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.448 -7.758 1.375 1.00 0.00 H new ATOM 336 N VAL B 2 11.107 -3.367 -4.658 1.00 0.00 N ATOM 337 CA VAL B 2 11.689 -2.451 -5.665 1.00 0.00 C ATOM 338 C VAL B 2 10.809 -1.209 -5.848 1.00 0.00 C ATOM 339 O VAL B 2 9.585 -1.319 -5.929 1.00 0.00 O ATOM 340 CB VAL B 2 11.960 -3.160 -7.023 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.686 -3.707 -7.698 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.712 -2.253 -8.010 1.00 0.00 C ATOM 0 H VAL B 2 10.142 -3.133 -4.425 1.00 0.00 H new ATOM 0 HA VAL B 2 12.658 -2.128 -5.284 1.00 0.00 H new ATOM 0 HB VAL B 2 12.590 -4.012 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.951 -4.188 -8.640 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.210 -4.434 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.996 -2.886 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.879 -2.791 -8.943 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.120 -1.359 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.672 -1.965 -7.581 1.00 0.00 H new ATOM 352 N ASN B 3 11.440 -0.031 -5.920 1.00 0.00 N ATOM 353 CA ASN B 3 10.774 1.253 -6.163 1.00 0.00 C ATOM 354 C ASN B 3 10.677 1.579 -7.664 1.00 0.00 C ATOM 355 O ASN B 3 11.605 1.318 -8.433 1.00 0.00 O ATOM 356 CB ASN B 3 11.504 2.387 -5.425 1.00 0.00 C ATOM 357 CG ASN B 3 11.416 2.287 -3.905 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.097 1.493 -3.268 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.579 3.097 -3.278 1.00 0.00 N ATOM 0 H ASN B 3 12.450 0.057 -5.808 1.00 0.00 H new ATOM 0 HA ASN B 3 9.759 1.166 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.553 2.384 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.086 3.343 -5.742 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.500 3.061 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.013 3.757 -3.811 1.00 0.00 H new ATOM 366 N GLN B 4 9.555 2.173 -8.078 1.00 0.00 N ATOM 367 CA GLN B 4 9.250 2.527 -9.469 1.00 0.00 C ATOM 368 C GLN B 4 8.450 3.841 -9.541 1.00 0.00 C ATOM 369 O GLN B 4 7.748 4.208 -8.596 1.00 0.00 O ATOM 370 CB GLN B 4 8.421 1.394 -10.118 1.00 0.00 C ATOM 371 CG GLN B 4 9.163 0.051 -10.243 1.00 0.00 C ATOM 372 CD GLN B 4 8.321 -0.997 -10.975 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.557 -1.324 -12.131 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.304 -1.552 -10.344 1.00 0.00 N ATOM 0 H GLN B 4 8.808 2.430 -7.433 1.00 0.00 H new ATOM 0 HA GLN B 4 10.191 2.661 -10.003 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.516 1.241 -9.530 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.106 1.714 -11.111 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.101 0.202 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.418 -0.317 -9.249 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.096 -1.289 -9.381 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.725 -2.245 -10.819 1.00 0.00 H new ATOM 383 N HIS B 5 8.502 4.520 -10.693 1.00 0.00 N ATOM 384 CA HIS B 5 7.508 5.532 -11.063 1.00 0.00 C ATOM 385 C HIS B 5 6.253 4.817 -11.592 1.00 0.00 C ATOM 386 O HIS B 5 6.341 3.986 -12.503 1.00 0.00 O ATOM 387 CB HIS B 5 8.055 6.470 -12.149 1.00 0.00 C ATOM 388 CG HIS B 5 9.275 7.273 -11.771 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.321 8.336 -10.899 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.524 7.138 -12.309 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.573 8.827 -10.912 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.351 8.127 -11.761 1.00 0.00 N ATOM 0 H HIS B 5 9.232 4.383 -11.392 1.00 0.00 H new ATOM 0 HA HIS B 5 7.268 6.131 -10.184 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.294 5.874 -13.030 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.263 7.162 -12.437 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.543 8.689 -10.341 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.823 6.395 -13.034 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.909 9.667 -10.323 1.00 0.00 H new ATOM 400 N LEU B 6 5.086 5.141 -11.031 1.00 0.00 N ATOM 401 CA LEU B 6 3.809 4.481 -11.289 1.00 0.00 C ATOM 402 C LEU B 6 2.675 5.516 -11.284 1.00 0.00 C ATOM 403 O LEU B 6 2.445 6.190 -10.282 1.00 0.00 O ATOM 404 CB LEU B 6 3.578 3.408 -10.204 1.00 0.00 C ATOM 405 CG LEU B 6 4.528 2.192 -10.229 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.269 1.338 -8.984 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.322 1.320 -11.481 1.00 0.00 C ATOM 0 H LEU B 6 5.004 5.902 -10.357 1.00 0.00 H new ATOM 0 HA LEU B 6 3.824 4.003 -12.269 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.660 3.886 -9.228 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.555 3.044 -10.296 1.00 0.00 H new ATOM 0 HG LEU B 6 5.552 2.566 -10.247 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.935 0.475 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.454 1.933 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.234 0.998 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.012 0.477 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.297 0.950 -11.502 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.511 1.916 -12.374 1.00 0.00 H new ATOM 419 N CYS B 7 1.957 5.624 -12.401 1.00 0.00 N ATOM 420 CA CYS B 7 0.878 6.594 -12.619 1.00 0.00 C ATOM 421 C CYS B 7 -0.400 5.887 -13.092 1.00 0.00 C ATOM 422 O CYS B 7 -0.337 5.012 -13.959 1.00 0.00 O ATOM 423 CB CYS B 7 1.315 7.602 -13.697 1.00 0.00 C ATOM 424 SG CYS B 7 2.882 8.479 -13.421 1.00 0.00 S ATOM 0 H CYS B 7 2.113 5.020 -13.208 1.00 0.00 H new ATOM 0 HA CYS B 7 0.674 7.105 -11.678 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.386 7.072 -14.647 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.525 8.346 -13.805 1.00 0.00 H new ATOM 429 N GLY B 8 -1.554 6.280 -12.547 1.00 0.00 N ATOM 430 CA GLY B 8 -2.892 5.920 -13.042 1.00 0.00 C ATOM 431 C GLY B 8 -3.078 4.427 -13.324 1.00 0.00 C ATOM 432 O GLY B 8 -2.989 3.590 -12.427 1.00 0.00 O ATOM 0 H GLY B 8 -1.588 6.878 -11.721 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.635 6.235 -12.309 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.091 6.478 -13.957 1.00 0.00 H new ATOM 436 N SER B 9 -3.322 4.083 -14.587 1.00 0.00 N ATOM 437 CA SER B 9 -3.548 2.707 -15.042 1.00 0.00 C ATOM 438 C SER B 9 -2.356 1.780 -14.742 1.00 0.00 C ATOM 439 O SER B 9 -2.552 0.620 -14.384 1.00 0.00 O ATOM 440 CB SER B 9 -3.824 2.703 -16.553 1.00 0.00 C ATOM 441 OG SER B 9 -4.900 3.576 -16.885 1.00 0.00 O ATOM 0 H SER B 9 -3.370 4.767 -15.342 1.00 0.00 H new ATOM 0 HA SER B 9 -4.408 2.324 -14.492 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.926 3.009 -17.090 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.061 1.690 -16.879 1.00 0.00 H new ATOM 0 HG SER B 9 -5.052 3.554 -17.853 1.00 0.00 H new ATOM 447 N HIS B 10 -1.121 2.287 -14.806 1.00 0.00 N ATOM 448 CA HIS B 10 0.086 1.514 -14.498 1.00 0.00 C ATOM 449 C HIS B 10 0.213 1.248 -12.984 1.00 0.00 C ATOM 450 O HIS B 10 0.596 0.150 -12.577 1.00 0.00 O ATOM 451 CB HIS B 10 1.312 2.278 -15.034 1.00 0.00 C ATOM 452 CG HIS B 10 1.276 2.518 -16.524 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.614 1.616 -17.506 1.00 0.00 N ATOM 454 CD2 HIS B 10 0.894 3.673 -17.154 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.437 2.214 -18.698 1.00 0.00 C ATOM 456 NE2 HIS B 10 0.999 3.475 -18.538 1.00 0.00 N ATOM 0 H HIS B 10 -0.929 3.252 -15.075 1.00 0.00 H new ATOM 0 HA HIS B 10 0.023 0.540 -14.983 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.383 3.238 -14.522 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.214 1.718 -14.787 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.568 4.581 -16.668 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.622 1.745 -19.653 1.00 0.00 H new ATOM 0 HE2 HIS B 10 0.787 4.150 -19.273 1.00 0.00 H new ATOM 464 N LEU B 11 -0.179 2.218 -12.147 1.00 0.00 N ATOM 465 CA LEU B 11 -0.277 2.048 -10.694 1.00 0.00 C ATOM 466 C LEU B 11 -1.375 1.036 -10.331 1.00 0.00 C ATOM 467 O LEU B 11 -1.131 0.142 -9.528 1.00 0.00 O ATOM 468 CB LEU B 11 -0.508 3.427 -10.053 1.00 0.00 C ATOM 469 CG LEU B 11 -0.658 3.404 -8.521 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.628 2.970 -7.810 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.072 4.797 -8.048 1.00 0.00 C ATOM 0 H LEU B 11 -0.439 3.152 -12.465 1.00 0.00 H new ATOM 0 HA LEU B 11 0.652 1.636 -10.300 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.326 4.079 -10.314 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.405 3.869 -10.486 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.420 2.668 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.466 2.971 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.902 1.966 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.432 3.663 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.182 4.795 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.308 5.520 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.021 5.070 -8.509 1.00 0.00 H new ATOM 483 N VAL B 12 -2.552 1.145 -10.953 1.00 0.00 N ATOM 484 CA VAL B 12 -3.686 0.213 -10.765 1.00 0.00 C ATOM 485 C VAL B 12 -3.331 -1.216 -11.215 1.00 0.00 C ATOM 486 O VAL B 12 -3.713 -2.178 -10.551 1.00 0.00 O ATOM 487 CB VAL B 12 -4.954 0.748 -11.472 1.00 0.00 C ATOM 488 CG1 VAL B 12 -6.101 -0.268 -11.556 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.480 1.995 -10.731 1.00 0.00 C ATOM 0 H VAL B 12 -2.755 1.894 -11.615 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.902 0.155 -9.698 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.644 0.979 -12.491 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.952 0.185 -12.065 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.770 -1.145 -12.112 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.397 -0.567 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.373 2.367 -11.233 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.726 1.730 -9.703 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.713 2.770 -10.733 1.00 0.00 H new ATOM 499 N GLU B 13 -2.554 -1.361 -12.296 1.00 0.00 N ATOM 500 CA GLU B 13 -2.013 -2.649 -12.740 1.00 0.00 C ATOM 501 C GLU B 13 -1.003 -3.211 -11.726 1.00 0.00 C ATOM 502 O GLU B 13 -1.106 -4.373 -11.333 1.00 0.00 O ATOM 503 CB GLU B 13 -1.367 -2.472 -14.128 1.00 0.00 C ATOM 504 CG GLU B 13 -1.015 -3.786 -14.831 1.00 0.00 C ATOM 505 CD GLU B 13 -2.268 -4.521 -15.339 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.805 -4.135 -16.405 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.711 -5.500 -14.696 1.00 0.00 O ATOM 0 H GLU B 13 -2.282 -0.579 -12.892 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.826 -3.371 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.048 -1.905 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.460 -1.877 -14.021 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.349 -3.582 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.470 -4.431 -14.142 1.00 0.00 H new ATOM 514 N ALA B 14 -0.057 -2.391 -11.248 1.00 0.00 N ATOM 515 CA ALA B 14 0.927 -2.802 -10.245 1.00 0.00 C ATOM 516 C ALA B 14 0.260 -3.243 -8.930 1.00 0.00 C ATOM 517 O ALA B 14 0.613 -4.297 -8.397 1.00 0.00 O ATOM 518 CB ALA B 14 1.924 -1.656 -10.043 1.00 0.00 C ATOM 0 H ALA B 14 0.045 -1.422 -11.549 1.00 0.00 H new ATOM 0 HA ALA B 14 1.465 -3.680 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.665 -1.946 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.424 -1.438 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.393 -0.768 -9.700 1.00 0.00 H new ATOM 524 N LEU B 15 -0.746 -2.504 -8.447 1.00 0.00 N ATOM 525 CA LEU B 15 -1.586 -2.882 -7.304 1.00 0.00 C ATOM 526 C LEU B 15 -2.186 -4.279 -7.496 1.00 0.00 C ATOM 527 O LEU B 15 -1.923 -5.170 -6.689 1.00 0.00 O ATOM 528 CB LEU B 15 -2.684 -1.817 -7.112 1.00 0.00 C ATOM 529 CG LEU B 15 -2.202 -0.552 -6.376 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.132 0.633 -6.667 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.175 -0.795 -4.862 1.00 0.00 C ATOM 0 H LEU B 15 -1.005 -1.604 -8.850 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.972 -2.924 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.074 -1.531 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.511 -2.257 -6.555 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.198 -0.321 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.773 1.516 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.143 0.832 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.141 0.394 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.833 0.107 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.177 -1.048 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.496 -1.617 -4.638 1.00 0.00 H new ATOM 543 N TYR B 16 -2.909 -4.513 -8.595 1.00 0.00 N ATOM 544 CA TYR B 16 -3.486 -5.822 -8.915 1.00 0.00 C ATOM 545 C TYR B 16 -2.438 -6.952 -8.959 1.00 0.00 C ATOM 546 O TYR B 16 -2.672 -8.033 -8.415 1.00 0.00 O ATOM 547 CB TYR B 16 -4.241 -5.717 -10.251 1.00 0.00 C ATOM 548 CG TYR B 16 -4.805 -7.036 -10.742 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.868 -7.646 -10.048 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.248 -7.671 -11.868 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.378 -8.887 -10.480 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.756 -8.909 -12.308 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.823 -9.521 -11.614 1.00 0.00 C ATOM 554 OH TYR B 16 -6.310 -10.728 -12.024 1.00 0.00 O ATOM 0 H TYR B 16 -3.112 -3.796 -9.291 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.174 -6.092 -8.114 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.057 -5.002 -10.141 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.567 -5.317 -11.008 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.294 -7.161 -9.182 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.428 -7.207 -12.397 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.192 -9.353 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.330 -9.390 -13.176 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.820 -11.026 -12.819 1.00 0.00 H new ATOM 564 N LEU B 17 -1.264 -6.695 -9.550 1.00 0.00 N ATOM 565 CA LEU B 17 -0.171 -7.671 -9.681 1.00 0.00 C ATOM 566 C LEU B 17 0.544 -7.957 -8.354 1.00 0.00 C ATOM 567 O LEU B 17 0.930 -9.099 -8.111 1.00 0.00 O ATOM 568 CB LEU B 17 0.827 -7.188 -10.755 1.00 0.00 C ATOM 569 CG LEU B 17 0.293 -7.244 -12.205 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.303 -6.556 -13.135 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.064 -8.688 -12.682 1.00 0.00 C ATOM 0 H LEU B 17 -1.042 -5.787 -9.958 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.614 -8.618 -9.990 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.116 -6.162 -10.528 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.730 -7.795 -10.691 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.669 -6.732 -12.230 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.935 -6.590 -14.161 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.430 -5.517 -12.830 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.262 -7.071 -13.076 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.311 -8.678 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.005 -9.237 -12.646 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.665 -9.174 -12.033 1.00 0.00 H new ATOM 583 N VAL B 18 0.682 -6.960 -7.479 1.00 0.00 N ATOM 584 CA VAL B 18 1.203 -7.136 -6.108 1.00 0.00 C ATOM 585 C VAL B 18 0.235 -7.966 -5.267 1.00 0.00 C ATOM 586 O VAL B 18 0.659 -8.870 -4.549 1.00 0.00 O ATOM 587 CB VAL B 18 1.488 -5.774 -5.426 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.674 -5.862 -3.901 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.772 -5.173 -6.018 1.00 0.00 C ATOM 0 H VAL B 18 0.435 -5.995 -7.697 1.00 0.00 H new ATOM 0 HA VAL B 18 2.149 -7.672 -6.182 1.00 0.00 H new ATOM 0 HB VAL B 18 0.611 -5.155 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.869 -4.867 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.769 -6.265 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.516 -6.516 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.978 -4.214 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.606 -5.852 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.644 -5.026 -7.090 1.00 0.00 H new ATOM 599 N CYS B 19 -1.068 -7.679 -5.363 1.00 0.00 N ATOM 600 CA CYS B 19 -2.082 -8.377 -4.570 1.00 0.00 C ATOM 601 C CYS B 19 -2.309 -9.820 -5.056 1.00 0.00 C ATOM 602 O CYS B 19 -2.461 -10.720 -4.226 1.00 0.00 O ATOM 603 CB CYS B 19 -3.360 -7.533 -4.539 1.00 0.00 C ATOM 604 SG CYS B 19 -3.118 -5.887 -3.803 1.00 0.00 S ATOM 0 H CYS B 19 -1.445 -6.964 -5.986 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.728 -8.488 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.735 -7.417 -5.556 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.126 -8.066 -3.976 1.00 0.00 H new ATOM 609 N GLY B 20 -2.238 -10.062 -6.371 1.00 0.00 N ATOM 610 CA GLY B 20 -2.231 -11.394 -6.985 1.00 0.00 C ATOM 611 C GLY B 20 -3.575 -12.105 -6.832 1.00 0.00 C ATOM 612 O GLY B 20 -4.561 -11.720 -7.460 1.00 0.00 O ATOM 0 H GLY B 20 -2.182 -9.311 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.988 -11.303 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.447 -11.999 -6.529 1.00 0.00 H new ATOM 616 N GLU B 21 -3.607 -13.144 -5.996 1.00 0.00 N ATOM 617 CA GLU B 21 -4.829 -13.865 -5.616 1.00 0.00 C ATOM 618 C GLU B 21 -5.766 -13.004 -4.736 1.00 0.00 C ATOM 619 O GLU B 21 -6.987 -13.180 -4.767 1.00 0.00 O ATOM 620 CB GLU B 21 -4.414 -15.160 -4.891 1.00 0.00 C ATOM 621 CG GLU B 21 -5.578 -16.118 -4.615 1.00 0.00 C ATOM 622 CD GLU B 21 -5.075 -17.449 -4.035 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.967 -17.571 -2.793 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.796 -18.390 -4.819 1.00 0.00 O ATOM 0 H GLU B 21 -2.768 -13.518 -5.553 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.399 -14.103 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.666 -15.677 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.939 -14.899 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.276 -15.655 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.126 -16.304 -5.539 1.00 0.00 H new ATOM 631 N ARG B 22 -5.202 -12.053 -3.980 1.00 0.00 N ATOM 632 CA ARG B 22 -5.939 -11.081 -3.161 1.00 0.00 C ATOM 633 C ARG B 22 -6.592 -10.002 -4.040 1.00 0.00 C ATOM 634 O ARG B 22 -6.091 -9.690 -5.127 1.00 0.00 O ATOM 635 CB ARG B 22 -4.999 -10.429 -2.133 1.00 0.00 C ATOM 636 CG ARG B 22 -4.310 -11.436 -1.193 1.00 0.00 C ATOM 637 CD ARG B 22 -3.155 -10.797 -0.406 1.00 0.00 C ATOM 638 NE ARG B 22 -2.008 -10.486 -1.285 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.841 -9.994 -0.885 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.582 -9.719 0.374 1.00 0.00 N ATOM 641 NH2 ARG B 22 0.127 -9.754 -1.738 1.00 0.00 N ATOM 0 H ARG B 22 -4.191 -11.935 -3.919 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.729 -11.614 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.235 -9.860 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.568 -9.718 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.043 -11.840 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -3.930 -12.274 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.503 -9.884 0.076 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.835 -11.474 0.386 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.122 -10.664 -2.283 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.292 -9.883 1.088 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.329 -9.342 0.637 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.009 -9.945 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.015 -9.376 -1.408 1.00 0.00 H new ATOM 655 N GLY B 23 -7.675 -9.387 -3.551 1.00 0.00 N ATOM 656 CA GLY B 23 -8.273 -8.185 -4.143 1.00 0.00 C ATOM 657 C GLY B 23 -7.516 -6.926 -3.727 1.00 0.00 C ATOM 658 O GLY B 23 -6.474 -7.005 -3.074 1.00 0.00 O ATOM 0 H GLY B 23 -8.168 -9.715 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.269 -8.272 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.315 -8.104 -3.833 1.00 0.00 H new ATOM 662 N PHE B 24 -8.051 -5.760 -4.088 1.00 0.00 N ATOM 663 CA PHE B 24 -7.517 -4.443 -3.714 1.00 0.00 C ATOM 664 C PHE B 24 -8.556 -3.324 -3.888 1.00 0.00 C ATOM 665 O PHE B 24 -9.558 -3.498 -4.586 1.00 0.00 O ATOM 666 CB PHE B 24 -6.239 -4.129 -4.516 1.00 0.00 C ATOM 667 CG PHE B 24 -6.457 -3.701 -5.955 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.794 -4.658 -6.932 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.331 -2.347 -6.319 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.028 -4.256 -8.260 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.543 -1.949 -7.651 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.891 -2.903 -8.621 1.00 0.00 C ATOM 0 H PHE B 24 -8.890 -5.700 -4.664 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.266 -4.486 -2.654 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.692 -3.340 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.602 -5.014 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.873 -5.701 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.071 -1.611 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.313 -4.986 -9.003 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.438 -0.910 -7.928 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.053 -2.598 -9.644 1.00 0.00 H new ATOM 682 N PHE B 25 -8.278 -2.154 -3.300 1.00 0.00 N ATOM 683 CA PHE B 25 -9.004 -0.914 -3.582 1.00 0.00 C ATOM 684 C PHE B 25 -8.125 0.323 -3.352 1.00 0.00 C ATOM 685 O PHE B 25 -7.590 0.527 -2.261 1.00 0.00 O ATOM 686 CB PHE B 25 -10.292 -0.840 -2.740 1.00 0.00 C ATOM 687 CG PHE B 25 -11.099 0.419 -3.005 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.918 0.500 -4.150 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.992 1.528 -2.146 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.627 1.684 -4.431 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.698 2.711 -2.430 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.518 2.790 -3.568 1.00 0.00 C ATOM 0 H PHE B 25 -7.536 -2.043 -2.609 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.280 -0.923 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.910 -1.713 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.032 -0.883 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.002 -0.348 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.367 1.471 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.254 1.743 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.609 3.562 -1.771 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.064 3.698 -3.780 1.00 0.00 H new ATOM 702 N TYR B 26 -8.046 1.169 -4.381 1.00 0.00 N ATOM 703 CA TYR B 26 -7.417 2.490 -4.384 1.00 0.00 C ATOM 704 C TYR B 26 -7.855 3.324 -5.611 1.00 0.00 C ATOM 705 O TYR B 26 -8.131 2.767 -6.680 1.00 0.00 O ATOM 706 CB TYR B 26 -5.885 2.344 -4.343 1.00 0.00 C ATOM 707 CG TYR B 26 -5.183 3.678 -4.498 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.307 4.652 -3.490 1.00 0.00 C ATOM 709 CD2 TYR B 26 -4.613 4.021 -5.740 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.907 5.982 -3.738 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.208 5.343 -5.991 1.00 0.00 C ATOM 712 CZ TYR B 26 -4.367 6.333 -4.997 1.00 0.00 C ATOM 713 OH TYR B 26 -4.014 7.619 -5.256 1.00 0.00 O ATOM 0 H TYR B 26 -8.444 0.935 -5.290 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.746 3.025 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.590 1.887 -3.399 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.564 1.671 -5.138 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.709 4.381 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.487 3.266 -6.501 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.013 6.731 -2.967 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.774 5.602 -6.946 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.257 8.185 -4.494 1.00 0.00 H new ATOM 723 N THR B 27 -7.863 4.659 -5.468 1.00 0.00 N ATOM 724 CA THR B 27 -8.087 5.666 -6.522 1.00 0.00 C ATOM 725 C THR B 27 -7.633 7.048 -6.018 1.00 0.00 C ATOM 726 O THR B 27 -7.810 7.319 -4.824 1.00 0.00 O ATOM 727 CB THR B 27 -9.559 5.645 -6.976 1.00 0.00 C ATOM 728 OG1 THR B 27 -9.724 6.550 -8.042 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.561 6.011 -5.874 1.00 0.00 C ATOM 0 H THR B 27 -7.704 5.092 -4.558 1.00 0.00 H new ATOM 0 HA THR B 27 -7.488 5.429 -7.402 1.00 0.00 H new ATOM 0 HB THR B 27 -9.771 4.617 -7.270 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.658 6.541 -8.337 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.574 5.973 -6.276 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.470 5.303 -5.050 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.352 7.018 -5.512 1.00 0.00 H new ATOM 737 N PRO B 28 -7.031 7.920 -6.860 1.00 0.00 N ATOM 738 CA PRO B 28 -6.650 9.280 -6.471 1.00 0.00 C ATOM 739 C PRO B 28 -7.877 10.135 -6.124 1.00 0.00 C ATOM 740 O PRO B 28 -8.986 9.886 -6.597 1.00 0.00 O ATOM 741 CB PRO B 28 -5.871 9.856 -7.659 1.00 0.00 C ATOM 742 CG PRO B 28 -6.389 9.054 -8.850 1.00 0.00 C ATOM 743 CD PRO B 28 -6.641 7.677 -8.241 1.00 0.00 C ATOM 0 HA PRO B 28 -6.039 9.275 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.058 10.923 -7.782 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.796 9.734 -7.531 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.300 9.487 -9.265 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.659 9.012 -9.659 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.426 7.148 -8.782 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -5.746 7.057 -8.291 1.00 0.00 H new ATOM 751 N LYS B 29 -7.677 11.171 -5.302 1.00 0.00 N ATOM 752 CA LYS B 29 -8.762 12.027 -4.782 1.00 0.00 C ATOM 753 C LYS B 29 -9.354 13.033 -5.798 1.00 0.00 C ATOM 754 O LYS B 29 -10.285 13.776 -5.465 1.00 0.00 O ATOM 755 CB LYS B 29 -8.256 12.716 -3.498 1.00 0.00 C ATOM 756 CG LYS B 29 -7.254 13.855 -3.750 1.00 0.00 C ATOM 757 CD LYS B 29 -6.691 14.388 -2.421 1.00 0.00 C ATOM 758 CE LYS B 29 -5.910 15.701 -2.579 1.00 0.00 C ATOM 759 NZ LYS B 29 -4.773 15.591 -3.527 1.00 0.00 N ATOM 0 H LYS B 29 -6.751 11.446 -4.973 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.612 11.381 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.111 13.113 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.787 11.969 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.439 13.496 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.744 14.663 -4.293 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.513 14.543 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.037 13.634 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -6.589 16.481 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.534 16.013 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -4.186 16.447 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -4.198 14.759 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -5.137 15.490 -4.496 1.00 0.00 H new ATOM 773 N THR B 30 -8.804 13.085 -7.015 1.00 0.00 N ATOM 774 CA THR B 30 -9.187 13.991 -8.124 1.00 0.00 C ATOM 775 C THR B 30 -10.623 13.790 -8.622 1.00 0.00 C ATOM 776 O THR B 30 -11.337 14.805 -8.794 1.00 0.00 O ATOM 777 CB THR B 30 -8.214 13.856 -9.301 1.00 0.00 C ATOM 778 OG1 THR B 30 -8.013 12.496 -9.630 1.00 0.00 O ATOM 779 CG2 THR B 30 -6.847 14.462 -8.971 1.00 0.00 C ATOM 780 OXT THR B 30 -11.034 12.631 -8.854 1.00 0.00 O ATOM 0 H THR B 30 -8.037 12.466 -7.276 1.00 0.00 H new ATOM 0 HA THR B 30 -9.134 14.997 -7.707 1.00 0.00 H new ATOM 0 HB THR B 30 -8.661 14.390 -10.139 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.391 12.430 -10.384 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.182 14.349 -9.828 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.964 15.521 -8.740 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.420 13.948 -8.110 1.00 0.00 H new TER 788 THR B 30