USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot 9:sc= 0.0325 USER MOD Set 1.2: B 27 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.00618 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.993 K(o=-0.99,f=-2.9!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0725 K(o=-0.073,f=-1.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.58) USER MOD Single : B 1 PHE N :NH3+ 172:sc= -1.1! (180deg=-1.46!) USER MOD Single : B 3 ASN : amide:sc= -0.0175 K(o=-0.017,f=-0.55) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -1.5 F(o=-3.2,f=-1.5) USER MOD Single : B 9 SER OG : rot 95:sc= 0.0622 USER MOD Single : B 10 HIS : no HD1:sc= 0.0183 K(o=0.018,f=-0.67) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -1.65 F(o=-4.9,f=-1.7) USER MOD Single : B 26 TYR OH : rot 180:sc= -2.16! USER MOD Single : B 29 LYS NZ :NH3+ -153:sc= -0.0154 (180deg=-0.86) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.442 7.788 7.085 1.00 0.00 N ATOM 2 CA GLY A 1 -2.639 6.311 7.157 1.00 0.00 C ATOM 3 C GLY A 1 -1.299 5.606 6.969 1.00 0.00 C ATOM 4 O GLY A 1 -0.284 6.013 7.500 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.085 8.257 7.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.458 8.019 7.329 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.646 8.119 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.073 6.038 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.341 5.990 6.388 1.00 0.00 H new ATOM 10 N ILE A 2 -1.292 4.549 6.209 1.00 0.00 N ATOM 11 CA ILE A 2 -0.029 3.804 5.966 1.00 0.00 C ATOM 12 C ILE A 2 0.972 4.736 5.272 1.00 0.00 C ATOM 13 O ILE A 2 2.140 4.756 5.596 1.00 0.00 O ATOM 14 CB ILE A 2 -0.359 2.585 5.082 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.121 1.302 5.765 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.296 2.701 3.701 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.851 0.158 5.446 1.00 0.00 C ATOM 0 H ILE A 2 -2.114 4.167 5.742 1.00 0.00 H new ATOM 0 HA ILE A 2 0.416 3.460 6.900 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.440 2.553 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.124 1.048 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.182 1.452 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.043 1.825 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.067 3.599 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.378 2.762 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.509 -0.756 5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.846 0.413 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.889 0.003 4.368 1.00 0.00 H new ATOM 29 N VAL A 3 0.504 5.492 4.311 1.00 0.00 N ATOM 30 CA VAL A 3 1.397 6.425 3.561 1.00 0.00 C ATOM 31 C VAL A 3 2.472 6.997 4.492 1.00 0.00 C ATOM 32 O VAL A 3 3.599 7.210 4.090 1.00 0.00 O ATOM 33 CB VAL A 3 0.551 7.564 2.988 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.446 8.532 2.213 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.508 6.983 2.044 1.00 0.00 C ATOM 0 H VAL A 3 -0.471 5.502 4.011 1.00 0.00 H new ATOM 0 HA VAL A 3 1.891 5.884 2.754 1.00 0.00 H new ATOM 0 HB VAL A 3 0.063 8.098 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.840 9.342 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.201 8.945 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.936 8.001 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.113 7.792 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.017 6.449 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.149 6.295 2.595 1.00 0.00 H new ATOM 45 N GLU A 4 2.140 7.237 5.728 1.00 0.00 N ATOM 46 CA GLU A 4 3.154 7.786 6.672 1.00 0.00 C ATOM 47 C GLU A 4 3.932 6.630 7.311 1.00 0.00 C ATOM 48 O GLU A 4 4.185 6.619 8.499 1.00 0.00 O ATOM 49 CB GLU A 4 2.457 8.599 7.765 1.00 0.00 C ATOM 50 CG GLU A 4 3.147 9.958 7.905 1.00 0.00 C ATOM 51 CD GLU A 4 3.732 10.093 9.313 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.981 10.427 10.214 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.919 9.864 9.463 1.00 0.00 O ATOM 0 H GLU A 4 1.214 7.078 6.126 1.00 0.00 H new ATOM 0 HA GLU A 4 3.842 8.433 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.405 8.737 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.493 8.061 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.938 10.054 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.434 10.761 7.718 1.00 0.00 H new ATOM 60 N GLN A 5 4.312 5.658 6.525 1.00 0.00 N ATOM 61 CA GLN A 5 5.075 4.501 7.076 1.00 0.00 C ATOM 62 C GLN A 5 5.562 3.623 5.921 1.00 0.00 C ATOM 63 O GLN A 5 6.648 3.079 5.955 1.00 0.00 O ATOM 64 CB GLN A 5 4.167 3.677 7.992 1.00 0.00 C ATOM 65 CG GLN A 5 4.362 4.123 9.442 1.00 0.00 C ATOM 66 CD GLN A 5 3.014 4.545 10.032 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.111 4.914 9.310 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.841 4.504 11.326 1.00 0.00 N ATOM 0 H GLN A 5 4.126 5.616 5.523 1.00 0.00 H new ATOM 0 HA GLN A 5 5.929 4.866 7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.125 3.804 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.399 2.617 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.790 3.310 10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.067 4.954 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.600 4.194 11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.947 4.782 11.730 1.00 0.00 H new ATOM 77 N CYS A 6 4.765 3.485 4.896 1.00 0.00 N ATOM 78 CA CYS A 6 5.173 2.650 3.734 1.00 0.00 C ATOM 79 C CYS A 6 5.910 3.528 2.722 1.00 0.00 C ATOM 80 O CYS A 6 6.684 3.051 1.916 1.00 0.00 O ATOM 81 CB CYS A 6 3.926 2.050 3.083 1.00 0.00 C ATOM 82 SG CYS A 6 3.353 0.640 4.061 1.00 0.00 S ATOM 0 H CYS A 6 3.845 3.918 4.815 1.00 0.00 H new ATOM 0 HA CYS A 6 5.830 1.846 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.140 2.803 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.151 1.732 2.065 1.00 0.00 H new ATOM 87 N CYS A 7 5.678 4.812 2.764 1.00 0.00 N ATOM 88 CA CYS A 7 6.366 5.731 1.814 1.00 0.00 C ATOM 89 C CYS A 7 7.637 6.267 2.479 1.00 0.00 C ATOM 90 O CYS A 7 8.669 6.400 1.850 1.00 0.00 O ATOM 91 CB CYS A 7 5.422 6.887 1.458 1.00 0.00 C ATOM 92 SG CYS A 7 6.357 8.253 0.718 1.00 0.00 S ATOM 0 H CYS A 7 5.039 5.265 3.418 1.00 0.00 H new ATOM 0 HA CYS A 7 6.635 5.201 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.658 6.541 0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.905 7.233 2.353 1.00 0.00 H new ATOM 97 N THR A 8 7.576 6.565 3.747 1.00 0.00 N ATOM 98 CA THR A 8 8.786 7.079 4.453 1.00 0.00 C ATOM 99 C THR A 8 9.806 5.946 4.574 1.00 0.00 C ATOM 100 O THR A 8 10.995 6.144 4.422 1.00 0.00 O ATOM 101 CB THR A 8 8.402 7.568 5.852 1.00 0.00 C ATOM 102 OG1 THR A 8 7.136 7.033 6.209 1.00 0.00 O ATOM 103 CG2 THR A 8 8.336 9.094 5.865 1.00 0.00 C ATOM 0 H THR A 8 6.741 6.475 4.326 1.00 0.00 H new ATOM 0 HA THR A 8 9.214 7.909 3.890 1.00 0.00 H new ATOM 0 HB THR A 8 9.152 7.236 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.890 7.344 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.062 9.438 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.310 9.503 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.589 9.432 5.147 1.00 0.00 H new ATOM 111 N SER A 9 9.344 4.756 4.841 1.00 0.00 N ATOM 112 CA SER A 9 10.276 3.602 4.970 1.00 0.00 C ATOM 113 C SER A 9 9.715 2.414 4.187 1.00 0.00 C ATOM 114 O SER A 9 8.695 2.518 3.532 1.00 0.00 O ATOM 115 CB SER A 9 10.416 3.220 6.442 1.00 0.00 C ATOM 116 OG SER A 9 10.452 4.401 7.233 1.00 0.00 O ATOM 0 H SER A 9 8.358 4.533 4.976 1.00 0.00 H new ATOM 0 HA SER A 9 11.254 3.875 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.581 2.590 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.326 2.639 6.594 1.00 0.00 H new ATOM 0 HG SER A 9 10.540 4.159 8.179 1.00 0.00 H new ATOM 122 N ILE A 10 10.365 1.286 4.251 1.00 0.00 N ATOM 123 CA ILE A 10 9.860 0.094 3.512 1.00 0.00 C ATOM 124 C ILE A 10 9.055 -0.790 4.467 1.00 0.00 C ATOM 125 O ILE A 10 9.561 -1.746 5.019 1.00 0.00 O ATOM 126 CB ILE A 10 11.044 -0.699 2.954 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.880 0.208 2.049 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.521 -1.886 2.141 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.917 -0.630 1.299 1.00 0.00 C ATOM 0 H ILE A 10 11.223 1.137 4.782 1.00 0.00 H new ATOM 0 HA ILE A 10 9.221 0.417 2.690 1.00 0.00 H new ATOM 0 HB ILE A 10 11.661 -1.063 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.234 0.726 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.378 0.973 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.362 -2.453 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.921 -2.531 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.907 -1.521 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.511 0.018 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.570 -1.127 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.409 -1.379 0.691 1.00 0.00 H new ATOM 141 N CYS A 11 7.804 -0.474 4.668 1.00 0.00 N ATOM 142 CA CYS A 11 6.968 -1.294 5.589 1.00 0.00 C ATOM 143 C CYS A 11 6.926 -2.741 5.091 1.00 0.00 C ATOM 144 O CYS A 11 7.595 -3.100 4.143 1.00 0.00 O ATOM 145 CB CYS A 11 5.546 -0.729 5.627 1.00 0.00 C ATOM 146 SG CYS A 11 4.866 -0.692 3.951 1.00 0.00 S ATOM 0 H CYS A 11 7.326 0.316 4.234 1.00 0.00 H new ATOM 0 HA CYS A 11 7.399 -1.266 6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.917 -1.342 6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.554 0.276 6.050 1.00 0.00 H new ATOM 151 N SER A 12 6.144 -3.573 5.723 1.00 0.00 N ATOM 152 CA SER A 12 6.059 -4.995 5.284 1.00 0.00 C ATOM 153 C SER A 12 4.734 -5.225 4.557 1.00 0.00 C ATOM 154 O SER A 12 3.825 -4.424 4.633 1.00 0.00 O ATOM 155 CB SER A 12 6.135 -5.915 6.505 1.00 0.00 C ATOM 156 OG SER A 12 5.556 -5.259 7.625 1.00 0.00 O ATOM 0 H SER A 12 5.561 -3.330 6.524 1.00 0.00 H new ATOM 0 HA SER A 12 6.888 -5.216 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.609 -6.849 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.173 -6.173 6.716 1.00 0.00 H new ATOM 0 HG SER A 12 5.602 -5.847 8.408 1.00 0.00 H new ATOM 162 N LEU A 13 4.618 -6.317 3.849 1.00 0.00 N ATOM 163 CA LEU A 13 3.353 -6.599 3.117 1.00 0.00 C ATOM 164 C LEU A 13 2.244 -6.936 4.117 1.00 0.00 C ATOM 165 O LEU A 13 1.100 -7.122 3.749 1.00 0.00 O ATOM 166 CB LEU A 13 3.564 -7.782 2.171 1.00 0.00 C ATOM 167 CG LEU A 13 3.523 -7.293 0.722 1.00 0.00 C ATOM 168 CD1 LEU A 13 3.640 -8.488 -0.225 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.199 -6.569 0.467 1.00 0.00 C ATOM 0 H LEU A 13 5.346 -7.025 3.747 1.00 0.00 H new ATOM 0 HA LEU A 13 3.065 -5.719 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.522 -8.260 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.791 -8.533 2.334 1.00 0.00 H new ATOM 0 HG LEU A 13 4.353 -6.609 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.611 -8.139 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.582 -9.005 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.811 -9.173 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.168 -6.220 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.370 -7.254 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.115 -5.717 1.141 1.00 0.00 H new ATOM 181 N TYR A 14 2.571 -7.021 5.378 1.00 0.00 N ATOM 182 CA TYR A 14 1.531 -7.350 6.393 1.00 0.00 C ATOM 183 C TYR A 14 0.781 -6.076 6.790 1.00 0.00 C ATOM 184 O TYR A 14 -0.365 -6.118 7.189 1.00 0.00 O ATOM 185 CB TYR A 14 2.199 -7.956 7.631 1.00 0.00 C ATOM 186 CG TYR A 14 1.200 -8.015 8.762 1.00 0.00 C ATOM 187 CD1 TYR A 14 0.125 -8.909 8.701 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.349 -7.173 9.871 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.802 -8.961 9.747 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.421 -7.224 10.918 1.00 0.00 C ATOM 191 CZ TYR A 14 -0.654 -8.120 10.856 1.00 0.00 C ATOM 192 OH TYR A 14 -1.570 -8.173 11.887 1.00 0.00 O ATOM 0 H TYR A 14 3.511 -6.877 5.748 1.00 0.00 H new ATOM 0 HA TYR A 14 0.828 -8.068 5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.569 -8.956 7.405 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.061 -7.356 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.011 -9.559 7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.180 -6.484 9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.632 -9.650 9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.534 -6.573 11.773 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.321 -7.526 12.579 1.00 0.00 H new ATOM 202 N GLN A 15 1.419 -4.943 6.688 1.00 0.00 N ATOM 203 CA GLN A 15 0.739 -3.671 7.065 1.00 0.00 C ATOM 204 C GLN A 15 -0.318 -3.325 6.015 1.00 0.00 C ATOM 205 O GLN A 15 -1.426 -2.947 6.338 1.00 0.00 O ATOM 206 CB GLN A 15 1.772 -2.549 7.149 1.00 0.00 C ATOM 207 CG GLN A 15 2.729 -2.830 8.309 1.00 0.00 C ATOM 208 CD GLN A 15 3.404 -1.529 8.746 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.256 -0.508 8.106 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.146 -1.524 9.822 1.00 0.00 N ATOM 0 H GLN A 15 2.380 -4.842 6.361 1.00 0.00 H new ATOM 0 HA GLN A 15 0.255 -3.789 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.327 -2.479 6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.274 -1.591 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.184 -3.267 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.482 -3.557 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.270 -2.382 10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.601 -0.662 10.124 1.00 0.00 H new ATOM 219 N LEU A 16 0.014 -3.449 4.757 1.00 0.00 N ATOM 220 CA LEU A 16 -0.976 -3.127 3.692 1.00 0.00 C ATOM 221 C LEU A 16 -2.129 -4.131 3.745 1.00 0.00 C ATOM 222 O LEU A 16 -3.126 -3.976 3.071 1.00 0.00 O ATOM 223 CB LEU A 16 -0.306 -3.201 2.316 1.00 0.00 C ATOM 224 CG LEU A 16 0.782 -2.124 2.192 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.007 -1.804 0.713 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.346 -0.844 2.914 1.00 0.00 C ATOM 0 H LEU A 16 0.927 -3.759 4.423 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.357 -2.119 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.132 -4.188 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.052 -3.065 1.533 1.00 0.00 H new ATOM 0 HG LEU A 16 1.701 -2.497 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.779 -1.040 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.324 -2.706 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.079 -1.438 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.126 -0.089 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.576 -0.471 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.178 -1.061 3.969 1.00 0.00 H new ATOM 238 N GLU A 17 -2.003 -5.157 4.543 1.00 0.00 N ATOM 239 CA GLU A 17 -3.100 -6.159 4.632 1.00 0.00 C ATOM 240 C GLU A 17 -4.338 -5.483 5.225 1.00 0.00 C ATOM 241 O GLU A 17 -5.455 -5.758 4.835 1.00 0.00 O ATOM 242 CB GLU A 17 -2.667 -7.319 5.530 1.00 0.00 C ATOM 243 CG GLU A 17 -1.518 -8.079 4.859 1.00 0.00 C ATOM 244 CD GLU A 17 -1.305 -9.415 5.574 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.920 -9.616 6.609 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.531 -10.215 5.075 1.00 0.00 O ATOM 0 H GLU A 17 -1.192 -5.343 5.133 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.329 -6.546 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.350 -6.942 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.508 -7.990 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.746 -8.250 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.605 -7.485 4.895 1.00 0.00 H new ATOM 253 N ASN A 18 -4.145 -4.588 6.157 1.00 0.00 N ATOM 254 CA ASN A 18 -5.310 -3.882 6.761 1.00 0.00 C ATOM 255 C ASN A 18 -6.118 -3.226 5.642 1.00 0.00 C ATOM 256 O ASN A 18 -7.275 -2.897 5.804 1.00 0.00 O ATOM 257 CB ASN A 18 -4.813 -2.809 7.734 1.00 0.00 C ATOM 258 CG ASN A 18 -5.397 -3.069 9.124 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.585 -2.931 9.334 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.604 -3.447 10.090 1.00 0.00 N ATOM 0 H ASN A 18 -3.233 -4.316 6.525 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.935 -4.591 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.724 -2.819 7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.108 -1.820 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.983 -3.626 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.606 -3.563 9.915 1.00 0.00 H new ATOM 267 N TYR A 19 -5.505 -3.035 4.506 1.00 0.00 N ATOM 268 CA TYR A 19 -6.214 -2.401 3.361 1.00 0.00 C ATOM 269 C TYR A 19 -6.992 -3.472 2.590 1.00 0.00 C ATOM 270 O TYR A 19 -6.944 -3.538 1.378 1.00 0.00 O ATOM 271 CB TYR A 19 -5.187 -1.744 2.437 1.00 0.00 C ATOM 272 CG TYR A 19 -4.912 -0.352 2.921 1.00 0.00 C ATOM 273 CD1 TYR A 19 -5.792 0.685 2.593 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.786 -0.095 3.703 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.545 1.983 3.051 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.540 1.201 4.159 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.417 2.241 3.837 1.00 0.00 C ATOM 278 OH TYR A 19 -4.171 3.520 4.291 1.00 0.00 O ATOM 0 H TYR A 19 -4.536 -3.293 4.322 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.909 -1.646 3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.266 -2.327 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.563 -1.719 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.662 0.483 1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.107 -0.896 3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.224 2.784 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.668 1.401 4.764 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.946 4.089 4.102 1.00 0.00 H new ATOM 288 N CYS A 20 -7.710 -4.308 3.288 1.00 0.00 N ATOM 289 CA CYS A 20 -8.493 -5.373 2.601 1.00 0.00 C ATOM 290 C CYS A 20 -9.958 -5.288 3.036 1.00 0.00 C ATOM 291 O CYS A 20 -10.262 -5.070 4.193 1.00 0.00 O ATOM 292 CB CYS A 20 -7.928 -6.743 2.975 1.00 0.00 C ATOM 293 SG CYS A 20 -6.838 -7.323 1.654 1.00 0.00 S ATOM 0 H CYS A 20 -7.788 -4.300 4.305 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.426 -5.236 1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.378 -6.678 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.740 -7.454 3.130 1.00 0.00 H new ATOM 298 N ASN A 21 -10.870 -5.455 2.116 1.00 0.00 N ATOM 299 CA ASN A 21 -12.315 -5.379 2.476 1.00 0.00 C ATOM 300 C ASN A 21 -13.058 -6.561 1.850 1.00 0.00 C ATOM 301 O ASN A 21 -14.277 -6.547 1.875 1.00 0.00 O ATOM 302 CB ASN A 21 -12.901 -4.068 1.950 1.00 0.00 C ATOM 303 CG ASN A 21 -14.294 -3.854 2.548 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.238 -3.574 1.837 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.464 -3.974 3.837 1.00 0.00 N ATOM 306 OXT ASN A 21 -12.397 -7.459 1.357 1.00 0.00 O ATOM 0 H ASN A 21 -10.677 -5.641 1.132 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.424 -5.416 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.249 -3.235 2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.961 -4.095 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.388 -3.833 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.673 -4.209 4.436 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.446 -10.331 -5.614 1.00 0.00 N ATOM 315 CA PHE B 1 8.510 -9.633 -4.689 1.00 0.00 C ATOM 316 C PHE B 1 9.278 -8.592 -3.873 1.00 0.00 C ATOM 317 O PHE B 1 9.196 -8.555 -2.662 1.00 0.00 O ATOM 318 CB PHE B 1 7.868 -10.656 -3.746 1.00 0.00 C ATOM 319 CG PHE B 1 8.884 -11.117 -2.728 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.091 -11.684 -3.153 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.620 -10.976 -1.361 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.035 -12.109 -2.211 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.563 -11.400 -0.418 1.00 0.00 C ATOM 324 CZ PHE B 1 10.772 -11.967 -0.843 1.00 0.00 C ATOM 0 H1 PHE B 1 8.955 -11.127 -6.069 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.775 -9.665 -6.342 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.262 -10.689 -5.077 1.00 0.00 H new ATOM 0 HA PHE B 1 7.732 -9.135 -5.267 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.010 -10.212 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.497 -11.508 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.294 -11.794 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.688 -10.540 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.966 -12.546 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.359 -11.290 0.637 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.500 -12.294 -0.116 1.00 0.00 H new ATOM 336 N VAL B 2 10.023 -7.744 -4.527 1.00 0.00 N ATOM 337 CA VAL B 2 10.792 -6.705 -3.786 1.00 0.00 C ATOM 338 C VAL B 2 9.872 -5.524 -3.468 1.00 0.00 C ATOM 339 O VAL B 2 9.242 -4.963 -4.343 1.00 0.00 O ATOM 340 CB VAL B 2 11.962 -6.222 -4.644 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.978 -5.500 -3.757 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.633 -7.424 -5.315 1.00 0.00 C ATOM 0 H VAL B 2 10.132 -7.726 -5.541 1.00 0.00 H new ATOM 0 HA VAL B 2 11.176 -7.130 -2.859 1.00 0.00 H new ATOM 0 HB VAL B 2 11.595 -5.538 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.813 -5.155 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.500 -4.645 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.346 -6.185 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.467 -7.080 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.001 -8.109 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.909 -7.940 -5.946 1.00 0.00 H new ATOM 352 N ASN B 3 9.785 -5.145 -2.223 1.00 0.00 N ATOM 353 CA ASN B 3 8.902 -4.004 -1.854 1.00 0.00 C ATOM 354 C ASN B 3 9.731 -2.720 -1.760 1.00 0.00 C ATOM 355 O ASN B 3 10.743 -2.669 -1.090 1.00 0.00 O ATOM 356 CB ASN B 3 8.245 -4.286 -0.501 1.00 0.00 C ATOM 357 CG ASN B 3 7.304 -5.484 -0.630 1.00 0.00 C ATOM 358 OD1 ASN B 3 6.117 -5.321 -0.831 1.00 0.00 O ATOM 359 ND2 ASN B 3 7.788 -6.693 -0.522 1.00 0.00 N ATOM 0 H ASN B 3 10.287 -5.576 -1.446 1.00 0.00 H new ATOM 0 HA ASN B 3 8.132 -3.882 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.008 -4.489 0.250 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.691 -3.410 -0.164 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.169 -7.499 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.785 -6.830 -0.353 1.00 0.00 H new ATOM 366 N GLN B 4 9.306 -1.681 -2.425 1.00 0.00 N ATOM 367 CA GLN B 4 10.064 -0.401 -2.373 1.00 0.00 C ATOM 368 C GLN B 4 9.202 0.674 -1.712 1.00 0.00 C ATOM 369 O GLN B 4 8.144 0.396 -1.181 1.00 0.00 O ATOM 370 CB GLN B 4 10.422 0.039 -3.793 1.00 0.00 C ATOM 371 CG GLN B 4 10.680 -1.193 -4.662 1.00 0.00 C ATOM 372 CD GLN B 4 11.601 -0.813 -5.822 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.213 -0.073 -6.705 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.815 -1.290 -5.861 1.00 0.00 N ATOM 0 H GLN B 4 8.465 -1.664 -3.003 1.00 0.00 H new ATOM 0 HA GLN B 4 10.977 -0.544 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.611 0.632 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.307 0.676 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.136 -1.983 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.738 -1.585 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.143 -1.911 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.436 -1.042 -6.631 1.00 0.00 H new ATOM 383 N HIS B 5 9.641 1.903 -1.739 1.00 0.00 N ATOM 384 CA HIS B 5 8.842 2.993 -1.114 1.00 0.00 C ATOM 385 C HIS B 5 7.583 3.241 -1.945 1.00 0.00 C ATOM 386 O HIS B 5 7.628 3.301 -3.158 1.00 0.00 O ATOM 387 CB HIS B 5 9.682 4.271 -1.053 1.00 0.00 C ATOM 388 CG HIS B 5 10.712 4.136 0.033 1.00 0.00 C ATOM 389 ND1 HIS B 5 12.018 4.551 0.120 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 10.444 3.485 1.228 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.553 4.165 1.345 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 11.563 3.525 1.973 1.00 0.00 N flip ATOM 0 H HIS B 5 10.518 2.198 -2.167 1.00 0.00 H new ATOM 0 HA HIS B 5 8.555 2.703 -0.103 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.169 4.446 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.042 5.132 -0.858 1.00 0.00 H new ATOM 0 HD1 HIS B 5 12.520 5.065 -0.604 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.506 3.029 1.509 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.554 4.344 1.710 1.00 0.00 H new ATOM 400 N LEU B 6 6.455 3.379 -1.302 1.00 0.00 N ATOM 401 CA LEU B 6 5.188 3.614 -2.051 1.00 0.00 C ATOM 402 C LEU B 6 4.642 5.003 -1.716 1.00 0.00 C ATOM 403 O LEU B 6 4.011 5.199 -0.697 1.00 0.00 O ATOM 404 CB LEU B 6 4.158 2.557 -1.653 1.00 0.00 C ATOM 405 CG LEU B 6 4.730 1.162 -1.907 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.005 0.147 -1.023 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.528 0.788 -3.379 1.00 0.00 C ATOM 0 H LEU B 6 6.357 3.339 -0.288 1.00 0.00 H new ATOM 0 HA LEU B 6 5.385 3.550 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.896 2.668 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.241 2.695 -2.226 1.00 0.00 H new ATOM 0 HG LEU B 6 5.794 1.157 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.412 -0.848 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.145 0.412 0.025 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.941 0.152 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.936 -0.206 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.463 0.792 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.041 1.512 -4.012 1.00 0.00 H new ATOM 419 N CYS B 7 4.873 5.964 -2.566 1.00 0.00 N ATOM 420 CA CYS B 7 4.360 7.336 -2.294 1.00 0.00 C ATOM 421 C CYS B 7 3.434 7.770 -3.433 1.00 0.00 C ATOM 422 O CYS B 7 3.877 8.124 -4.507 1.00 0.00 O ATOM 423 CB CYS B 7 5.535 8.309 -2.193 1.00 0.00 C ATOM 424 SG CYS B 7 6.819 7.597 -1.135 1.00 0.00 S ATOM 0 H CYS B 7 5.394 5.859 -3.436 1.00 0.00 H new ATOM 0 HA CYS B 7 3.806 7.337 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.938 8.513 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.198 9.261 -1.784 1.00 0.00 H new ATOM 429 N GLY B 8 2.148 7.745 -3.207 1.00 0.00 N ATOM 430 CA GLY B 8 1.195 8.155 -4.276 1.00 0.00 C ATOM 431 C GLY B 8 0.398 6.938 -4.749 1.00 0.00 C ATOM 432 O GLY B 8 0.119 6.033 -3.988 1.00 0.00 O ATOM 0 H GLY B 8 1.717 7.458 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.518 8.921 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.739 8.594 -5.113 1.00 0.00 H new ATOM 436 N SER B 9 0.031 6.907 -6.001 1.00 0.00 N ATOM 437 CA SER B 9 -0.747 5.747 -6.521 1.00 0.00 C ATOM 438 C SER B 9 0.110 4.482 -6.442 1.00 0.00 C ATOM 439 O SER B 9 -0.374 3.382 -6.612 1.00 0.00 O ATOM 440 CB SER B 9 -1.135 6.006 -7.978 1.00 0.00 C ATOM 441 OG SER B 9 -1.254 7.408 -8.190 1.00 0.00 O ATOM 0 H SER B 9 0.236 7.634 -6.686 1.00 0.00 H new ATOM 0 HA SER B 9 -1.648 5.616 -5.921 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.383 5.588 -8.647 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.078 5.510 -8.209 1.00 0.00 H new ATOM 0 HG SER B 9 -0.410 7.758 -8.544 1.00 0.00 H new ATOM 447 N HIS B 10 1.381 4.631 -6.186 1.00 0.00 N ATOM 448 CA HIS B 10 2.271 3.436 -6.100 1.00 0.00 C ATOM 449 C HIS B 10 1.812 2.536 -4.952 1.00 0.00 C ATOM 450 O HIS B 10 1.868 1.327 -5.045 1.00 0.00 O ATOM 451 CB HIS B 10 3.710 3.890 -5.850 1.00 0.00 C ATOM 452 CG HIS B 10 4.219 4.630 -7.056 1.00 0.00 C ATOM 453 ND1 HIS B 10 3.917 5.962 -7.288 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.007 4.235 -8.109 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.514 6.320 -8.438 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.194 5.305 -8.980 1.00 0.00 N ATOM 0 H HIS B 10 1.842 5.528 -6.033 1.00 0.00 H new ATOM 0 HA HIS B 10 2.223 2.880 -7.036 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.752 4.533 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.344 3.028 -5.645 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.419 3.245 -8.241 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.452 7.307 -8.871 1.00 0.00 H new ATOM 0 HE2 HIS B 10 5.734 5.313 -9.845 1.00 0.00 H new ATOM 464 N LEU B 11 1.359 3.109 -3.870 1.00 0.00 N ATOM 465 CA LEU B 11 0.901 2.266 -2.730 1.00 0.00 C ATOM 466 C LEU B 11 -0.377 1.531 -3.126 1.00 0.00 C ATOM 467 O LEU B 11 -0.629 0.428 -2.684 1.00 0.00 O ATOM 468 CB LEU B 11 0.630 3.142 -1.507 1.00 0.00 C ATOM 469 CG LEU B 11 1.044 2.380 -0.247 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.777 3.330 0.707 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.201 1.810 0.439 1.00 0.00 C ATOM 0 H LEU B 11 1.287 4.116 -3.727 1.00 0.00 H new ATOM 0 HA LEU B 11 1.679 1.543 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.187 4.076 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.427 3.404 -1.458 1.00 0.00 H new ATOM 0 HG LEU B 11 1.709 1.560 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.072 2.787 1.605 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.665 3.727 0.214 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.116 4.152 0.981 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.095 1.267 1.337 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.871 2.625 0.712 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.714 1.132 -0.243 1.00 0.00 H new ATOM 483 N VAL B 12 -1.184 2.123 -3.961 1.00 0.00 N ATOM 484 CA VAL B 12 -2.434 1.437 -4.387 1.00 0.00 C ATOM 485 C VAL B 12 -2.057 0.193 -5.190 1.00 0.00 C ATOM 486 O VAL B 12 -2.833 -0.731 -5.330 1.00 0.00 O ATOM 487 CB VAL B 12 -3.275 2.376 -5.251 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.396 1.582 -5.923 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.885 3.467 -4.368 1.00 0.00 C ATOM 0 H VAL B 12 -1.033 3.047 -4.365 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.018 1.153 -3.511 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.644 2.833 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.997 2.251 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.964 0.801 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.028 1.127 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.486 4.138 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.517 3.008 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.088 4.032 -3.885 1.00 0.00 H new ATOM 499 N GLU B 13 -0.858 0.164 -5.709 1.00 0.00 N ATOM 500 CA GLU B 13 -0.410 -1.018 -6.493 1.00 0.00 C ATOM 501 C GLU B 13 -0.041 -2.143 -5.525 1.00 0.00 C ATOM 502 O GLU B 13 -0.063 -3.308 -5.870 1.00 0.00 O ATOM 503 CB GLU B 13 0.813 -0.640 -7.332 1.00 0.00 C ATOM 504 CG GLU B 13 0.362 0.094 -8.595 1.00 0.00 C ATOM 505 CD GLU B 13 1.532 0.900 -9.163 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.560 0.303 -9.432 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.378 2.100 -9.318 1.00 0.00 O ATOM 0 H GLU B 13 -0.170 0.912 -5.622 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.210 -1.349 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.483 -0.007 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.373 -1.536 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.006 -0.621 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.472 0.757 -8.365 1.00 0.00 H new ATOM 514 N ALA B 14 0.291 -1.799 -4.312 1.00 0.00 N ATOM 515 CA ALA B 14 0.654 -2.839 -3.310 1.00 0.00 C ATOM 516 C ALA B 14 -0.579 -3.169 -2.469 1.00 0.00 C ATOM 517 O ALA B 14 -0.653 -4.201 -1.830 1.00 0.00 O ATOM 518 CB ALA B 14 1.764 -2.308 -2.402 1.00 0.00 C ATOM 0 H ALA B 14 0.327 -0.839 -3.970 1.00 0.00 H new ATOM 0 HA ALA B 14 1.005 -3.736 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.030 -3.069 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.639 -2.062 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.415 -1.413 -1.886 1.00 0.00 H new ATOM 524 N LEU B 15 -1.551 -2.297 -2.466 1.00 0.00 N ATOM 525 CA LEU B 15 -2.785 -2.552 -1.670 1.00 0.00 C ATOM 526 C LEU B 15 -3.637 -3.608 -2.382 1.00 0.00 C ATOM 527 O LEU B 15 -4.054 -4.583 -1.791 1.00 0.00 O ATOM 528 CB LEU B 15 -3.586 -1.255 -1.536 1.00 0.00 C ATOM 529 CG LEU B 15 -2.841 -0.294 -0.610 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.705 0.940 -0.347 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.542 -0.996 0.718 1.00 0.00 C ATOM 0 H LEU B 15 -1.543 -1.417 -2.982 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.511 -2.911 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.727 -0.798 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.578 -1.466 -1.137 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.907 0.011 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.172 1.624 0.313 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.920 1.441 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.640 0.636 0.124 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.011 -0.312 1.380 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.477 -1.301 1.187 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.925 -1.875 0.534 1.00 0.00 H new ATOM 543 N HIS B 16 -3.895 -3.419 -3.649 1.00 0.00 N ATOM 544 CA HIS B 16 -4.716 -4.411 -4.398 1.00 0.00 C ATOM 545 C HIS B 16 -3.936 -5.725 -4.514 1.00 0.00 C ATOM 546 O HIS B 16 -4.495 -6.802 -4.452 1.00 0.00 O ATOM 547 CB HIS B 16 -5.035 -3.856 -5.798 1.00 0.00 C ATOM 548 CG HIS B 16 -3.885 -4.112 -6.737 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.597 -3.643 -6.760 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -4.004 -4.949 -7.836 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.921 -4.180 -7.852 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.816 -4.958 -8.468 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.572 -2.621 -4.196 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.651 -4.596 -3.869 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.940 -4.324 -6.185 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.231 -2.786 -5.736 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.888 -5.494 -8.131 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.895 -4.006 -8.139 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.622 -5.493 -9.314 1.00 0.00 H new ATOM 560 N LEU B 17 -2.645 -5.637 -4.685 1.00 0.00 N ATOM 561 CA LEU B 17 -1.819 -6.868 -4.805 1.00 0.00 C ATOM 562 C LEU B 17 -1.990 -7.720 -3.544 1.00 0.00 C ATOM 563 O LEU B 17 -1.940 -8.934 -3.592 1.00 0.00 O ATOM 564 CB LEU B 17 -0.349 -6.475 -4.968 1.00 0.00 C ATOM 565 CG LEU B 17 0.496 -7.725 -5.222 1.00 0.00 C ATOM 566 CD1 LEU B 17 0.040 -8.400 -6.517 1.00 0.00 C ATOM 567 CD2 LEU B 17 1.968 -7.324 -5.350 1.00 0.00 C ATOM 0 H LEU B 17 -2.126 -4.761 -4.747 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.139 -7.443 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.240 -5.776 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.002 -5.964 -4.072 1.00 0.00 H new ATOM 0 HG LEU B 17 0.375 -8.419 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.644 -9.290 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.009 -8.684 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.160 -7.707 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.573 -8.213 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.085 -6.630 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.296 -6.844 -4.428 1.00 0.00 H new ATOM 579 N VAL B 18 -2.200 -7.096 -2.418 1.00 0.00 N ATOM 580 CA VAL B 18 -2.380 -7.873 -1.160 1.00 0.00 C ATOM 581 C VAL B 18 -3.747 -8.559 -1.184 1.00 0.00 C ATOM 582 O VAL B 18 -3.872 -9.728 -0.872 1.00 0.00 O ATOM 583 CB VAL B 18 -2.305 -6.930 0.043 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.624 -7.704 1.323 1.00 0.00 C ATOM 585 CG2 VAL B 18 -0.892 -6.348 0.142 1.00 0.00 C ATOM 0 H VAL B 18 -2.255 -6.083 -2.315 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.593 -8.623 -1.079 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.028 -6.124 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.570 -7.031 2.178 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.628 -8.123 1.254 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.902 -8.511 1.450 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.835 -5.676 0.998 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.173 -7.158 0.268 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.661 -5.796 -0.769 1.00 0.00 H new ATOM 595 N CYS B 19 -4.774 -7.846 -1.556 1.00 0.00 N ATOM 596 CA CYS B 19 -6.130 -8.461 -1.608 1.00 0.00 C ATOM 597 C CYS B 19 -6.361 -9.074 -2.989 1.00 0.00 C ATOM 598 O CYS B 19 -6.276 -10.272 -3.170 1.00 0.00 O ATOM 599 CB CYS B 19 -7.190 -7.395 -1.347 1.00 0.00 C ATOM 600 SG CYS B 19 -8.103 -7.808 0.158 1.00 0.00 S ATOM 0 H CYS B 19 -4.733 -6.863 -1.826 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.200 -9.237 -0.846 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.720 -6.417 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.873 -7.332 -2.194 1.00 0.00 H new ATOM 605 N GLY B 20 -6.651 -8.259 -3.965 1.00 0.00 N ATOM 606 CA GLY B 20 -6.888 -8.792 -5.336 1.00 0.00 C ATOM 607 C GLY B 20 -8.043 -8.028 -5.987 1.00 0.00 C ATOM 608 O GLY B 20 -8.191 -6.837 -5.807 1.00 0.00 O ATOM 0 H GLY B 20 -6.734 -7.247 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.985 -8.690 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.122 -9.856 -5.289 1.00 0.00 H new ATOM 612 N GLU B 21 -8.861 -8.706 -6.743 1.00 0.00 N ATOM 613 CA GLU B 21 -10.006 -8.022 -7.405 1.00 0.00 C ATOM 614 C GLU B 21 -11.041 -7.619 -6.354 1.00 0.00 C ATOM 615 O GLU B 21 -11.816 -6.705 -6.550 1.00 0.00 O ATOM 616 CB GLU B 21 -10.650 -8.976 -8.410 1.00 0.00 C ATOM 617 CG GLU B 21 -10.303 -8.534 -9.833 1.00 0.00 C ATOM 618 CD GLU B 21 -11.576 -8.101 -10.561 1.00 0.00 C ATOM 619 OE1 GLU B 21 -12.555 -7.827 -9.888 1.00 0.00 O ATOM 620 OE2 GLU B 21 -11.551 -8.052 -11.779 1.00 0.00 O ATOM 0 H GLU B 21 -8.786 -9.706 -6.931 1.00 0.00 H new ATOM 0 HA GLU B 21 -9.648 -7.131 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -10.298 -9.993 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -11.732 -8.986 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -9.590 -7.710 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.824 -9.352 -10.372 1.00 0.00 H new ATOM 627 N ARG B 22 -11.058 -8.301 -5.240 1.00 0.00 N ATOM 628 CA ARG B 22 -12.042 -7.971 -4.166 1.00 0.00 C ATOM 629 C ARG B 22 -12.189 -6.453 -4.046 1.00 0.00 C ATOM 630 O ARG B 22 -13.218 -5.891 -4.367 1.00 0.00 O ATOM 631 CB ARG B 22 -11.549 -8.538 -2.833 1.00 0.00 C ATOM 632 CG ARG B 22 -11.222 -10.023 -2.996 1.00 0.00 C ATOM 633 CD ARG B 22 -12.139 -10.849 -2.090 1.00 0.00 C ATOM 634 NE ARG B 22 -11.892 -12.299 -2.321 1.00 0.00 N ATOM 635 CZ ARG B 22 -12.334 -13.185 -1.468 1.00 0.00 C ATOM 636 NH1 ARG B 22 -12.990 -12.803 -0.404 1.00 0.00 N ATOM 637 NH2 ARG B 22 -12.120 -14.455 -1.678 1.00 0.00 N ATOM 0 H ARG B 22 -10.430 -9.076 -5.026 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.008 -8.409 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.664 -7.995 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -12.312 -8.405 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.353 -10.323 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.178 -10.207 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.955 -10.600 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.182 -10.610 -2.296 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.376 -12.602 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.158 -11.811 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.334 -13.497 0.260 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.608 -14.756 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.465 -15.147 -1.013 1.00 0.00 H new ATOM 651 N GLY B 23 -11.169 -5.782 -3.582 1.00 0.00 N ATOM 652 CA GLY B 23 -11.254 -4.300 -3.441 1.00 0.00 C ATOM 653 C GLY B 23 -10.604 -3.871 -2.125 1.00 0.00 C ATOM 654 O GLY B 23 -10.558 -4.623 -1.170 1.00 0.00 O ATOM 0 H GLY B 23 -10.282 -6.196 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.754 -3.816 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.296 -3.982 -3.464 1.00 0.00 H new ATOM 658 N PHE B 24 -10.101 -2.669 -2.066 1.00 0.00 N ATOM 659 CA PHE B 24 -9.454 -2.190 -0.812 1.00 0.00 C ATOM 660 C PHE B 24 -9.736 -0.698 -0.633 1.00 0.00 C ATOM 661 O PHE B 24 -9.670 0.072 -1.572 1.00 0.00 O ATOM 662 CB PHE B 24 -7.943 -2.412 -0.904 1.00 0.00 C ATOM 663 CG PHE B 24 -7.442 -1.871 -2.216 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.592 -2.630 -3.378 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.834 -0.610 -2.274 1.00 0.00 C ATOM 666 CE1 PHE B 24 -7.133 -2.135 -4.602 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.375 -0.112 -3.498 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.525 -0.875 -4.664 1.00 0.00 C ATOM 0 H PHE B 24 -10.110 -1.997 -2.833 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.854 -2.742 0.038 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.439 -1.914 -0.076 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.714 -3.475 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.063 -3.601 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.720 -0.023 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.247 -2.724 -5.500 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.905 0.860 -3.544 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.172 -0.491 -5.610 1.00 0.00 H new ATOM 678 N PHE B 25 -10.051 -0.282 0.562 1.00 0.00 N ATOM 679 CA PHE B 25 -10.337 1.161 0.796 1.00 0.00 C ATOM 680 C PHE B 25 -9.026 1.908 1.057 1.00 0.00 C ATOM 681 O PHE B 25 -8.381 1.716 2.068 1.00 0.00 O ATOM 682 CB PHE B 25 -11.266 1.308 2.005 1.00 0.00 C ATOM 683 CG PHE B 25 -10.547 0.879 3.260 1.00 0.00 C ATOM 684 CD1 PHE B 25 -10.472 -0.480 3.596 1.00 0.00 C ATOM 685 CD2 PHE B 25 -9.954 1.837 4.090 1.00 0.00 C ATOM 686 CE1 PHE B 25 -9.806 -0.877 4.761 1.00 0.00 C ATOM 687 CE2 PHE B 25 -9.288 1.440 5.255 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.214 0.082 5.590 1.00 0.00 C ATOM 0 H PHE B 25 -10.123 -0.878 1.386 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.821 1.583 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.594 2.343 2.099 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.161 0.702 1.863 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.928 -1.221 2.956 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.010 2.884 3.831 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.749 -1.924 5.020 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.831 2.180 5.895 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.700 -0.225 6.489 1.00 0.00 H new ATOM 698 N TYR B 26 -8.630 2.760 0.152 1.00 0.00 N ATOM 699 CA TYR B 26 -7.363 3.523 0.349 1.00 0.00 C ATOM 700 C TYR B 26 -7.695 4.902 0.924 1.00 0.00 C ATOM 701 O TYR B 26 -8.848 5.261 1.064 1.00 0.00 O ATOM 702 CB TYR B 26 -6.652 3.687 -0.999 1.00 0.00 C ATOM 703 CG TYR B 26 -5.235 4.162 -0.774 1.00 0.00 C ATOM 704 CD1 TYR B 26 -4.459 3.605 0.250 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.698 5.163 -1.591 1.00 0.00 C ATOM 706 CE1 TYR B 26 -3.147 4.048 0.456 1.00 0.00 C ATOM 707 CE2 TYR B 26 -3.385 5.607 -1.384 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.611 5.048 -0.361 1.00 0.00 C ATOM 709 OH TYR B 26 -1.318 5.485 -0.159 1.00 0.00 O ATOM 0 H TYR B 26 -9.128 2.961 -0.715 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.711 2.985 1.037 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.647 2.738 -1.536 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.191 4.402 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.873 2.833 0.881 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.295 5.593 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.549 3.617 1.246 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.971 6.380 -2.014 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.102 6.182 -0.813 1.00 0.00 H new ATOM 719 N THR B 27 -6.701 5.681 1.256 1.00 0.00 N ATOM 720 CA THR B 27 -6.981 7.031 1.818 1.00 0.00 C ATOM 721 C THR B 27 -6.224 8.102 1.021 1.00 0.00 C ATOM 722 O THR B 27 -5.541 8.925 1.599 1.00 0.00 O ATOM 723 CB THR B 27 -6.535 7.078 3.280 1.00 0.00 C ATOM 724 OG1 THR B 27 -6.506 5.759 3.809 1.00 0.00 O ATOM 725 CG2 THR B 27 -7.516 7.929 4.088 1.00 0.00 C ATOM 0 H THR B 27 -5.714 5.442 1.163 1.00 0.00 H new ATOM 0 HA THR B 27 -8.051 7.227 1.753 1.00 0.00 H new ATOM 0 HB THR B 27 -5.539 7.517 3.341 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.219 5.788 4.745 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.197 7.962 5.130 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.539 8.941 3.684 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.513 7.492 4.027 1.00 0.00 H new ATOM 733 N PRO B 28 -6.377 8.072 -0.280 1.00 0.00 N ATOM 734 CA PRO B 28 -5.729 9.041 -1.192 1.00 0.00 C ATOM 735 C PRO B 28 -6.214 10.457 -0.869 1.00 0.00 C ATOM 736 O PRO B 28 -7.388 10.756 -0.962 1.00 0.00 O ATOM 737 CB PRO B 28 -6.159 8.645 -2.607 1.00 0.00 C ATOM 738 CG PRO B 28 -7.124 7.451 -2.482 1.00 0.00 C ATOM 739 CD PRO B 28 -7.205 7.075 -0.997 1.00 0.00 C ATOM 0 HA PRO B 28 -4.644 9.029 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.647 9.481 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.292 8.375 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.110 7.714 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -6.767 6.607 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.236 7.097 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.832 6.065 -0.829 1.00 0.00 H new ATOM 747 N LYS B 29 -5.323 11.328 -0.486 1.00 0.00 N ATOM 748 CA LYS B 29 -5.741 12.720 -0.153 1.00 0.00 C ATOM 749 C LYS B 29 -5.122 13.699 -1.152 1.00 0.00 C ATOM 750 O LYS B 29 -4.010 13.519 -1.606 1.00 0.00 O ATOM 751 CB LYS B 29 -5.267 13.066 1.258 1.00 0.00 C ATOM 752 CG LYS B 29 -6.443 12.967 2.230 1.00 0.00 C ATOM 753 CD LYS B 29 -7.125 14.331 2.345 1.00 0.00 C ATOM 754 CE LYS B 29 -7.736 14.476 3.741 1.00 0.00 C ATOM 755 NZ LYS B 29 -8.419 13.205 4.116 1.00 0.00 N ATOM 0 H LYS B 29 -4.326 11.138 -0.389 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.827 12.793 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -4.471 12.386 1.563 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -4.850 14.073 1.276 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.156 12.220 1.880 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.093 12.640 3.209 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -6.403 15.128 2.167 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -7.900 14.428 1.585 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -6.959 14.712 4.468 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.447 15.302 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.185 13.408 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.816 12.760 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.733 12.559 4.557 1.00 0.00 H new ATOM 769 N THR B 30 -5.835 14.737 -1.495 1.00 0.00 N ATOM 770 CA THR B 30 -5.287 15.732 -2.461 1.00 0.00 C ATOM 771 C THR B 30 -5.119 17.082 -1.759 1.00 0.00 C ATOM 772 O THR B 30 -5.224 18.095 -2.432 1.00 0.00 O ATOM 773 CB THR B 30 -6.251 15.886 -3.641 1.00 0.00 C ATOM 774 OG1 THR B 30 -7.547 15.453 -3.254 1.00 0.00 O ATOM 775 CG2 THR B 30 -5.759 15.041 -4.819 1.00 0.00 C ATOM 776 OXT THR B 30 -4.890 17.080 -0.561 1.00 0.00 O ATOM 0 H THR B 30 -6.773 14.939 -1.148 1.00 0.00 H new ATOM 0 HA THR B 30 -4.320 15.388 -2.827 1.00 0.00 H new ATOM 0 HB THR B 30 -6.293 16.933 -3.940 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.164 15.553 -4.009 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.446 15.152 -5.658 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.765 15.376 -5.117 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.715 13.993 -4.522 1.00 0.00 H new TER 784 THR B 30