USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 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 Single : A 1 GLY N :NH3+ -108:sc= 0.178 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.086) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.443 X(o=0.44,f=-0.0062) USER MOD Single : A 18 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.072 K(o=0.072,f=-3.1!) USER MOD Single : B 1 PHE N :NH3+ -100:sc= 1.12 (180deg=0.149) USER MOD Single : B 3 ASN : amide:sc= 1.21 K(o=1.2,f=-0.099) USER MOD Single : B 4 GLN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0 K(o=0,f=-2.2!) USER MOD Single : B 9 SER OG : rot -29:sc= 0.17 USER MOD Single : B 10 HIS : no HD1:sc= 0.2 K(o=0.2,f=-2.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 51:sc= 1.49 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.670 26.119 -9.349 1.00 0.00 N ATOM 2 CA GLY A 1 -24.612 25.288 -8.741 1.00 0.00 C ATOM 3 C GLY A 1 -24.142 24.237 -9.726 1.00 0.00 C ATOM 4 O GLY A 1 -24.660 24.211 -10.838 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.292 27.065 -9.557 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.996 25.675 -10.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.468 26.203 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.773 25.916 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.990 24.808 -7.838 1.00 0.00 H new ATOM 10 N ILE A 2 -23.202 23.372 -9.331 1.00 0.00 N ATOM 11 CA ILE A 2 -22.600 22.354 -10.221 1.00 0.00 C ATOM 12 C ILE A 2 -23.630 21.393 -10.833 1.00 0.00 C ATOM 13 O ILE A 2 -23.466 20.973 -11.972 1.00 0.00 O ATOM 14 CB ILE A 2 -21.476 21.587 -9.484 1.00 0.00 C ATOM 15 CG1 ILE A 2 -20.609 20.728 -10.432 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.038 20.672 -8.378 1.00 0.00 C ATOM 17 CD1 ILE A 2 -19.896 21.523 -11.534 1.00 0.00 C ATOM 0 H ILE A 2 -22.830 23.352 -8.381 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.165 22.892 -11.063 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.848 22.361 -9.043 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -19.861 20.199 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.241 19.972 -10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.217 20.151 -7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.577 21.274 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -22.717 19.943 -8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -19.311 20.843 -12.153 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -20.636 22.031 -12.153 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -19.235 22.261 -11.080 1.00 0.00 H new ATOM 29 N VAL A 3 -24.748 21.169 -10.127 1.00 0.00 N ATOM 30 CA VAL A 3 -25.949 20.442 -10.582 1.00 0.00 C ATOM 31 C VAL A 3 -26.427 20.821 -11.991 1.00 0.00 C ATOM 32 O VAL A 3 -27.046 19.992 -12.646 1.00 0.00 O ATOM 33 CB VAL A 3 -27.073 20.604 -9.531 1.00 0.00 C ATOM 34 CG1 VAL A 3 -27.513 22.067 -9.346 1.00 0.00 C ATOM 35 CG2 VAL A 3 -28.324 19.776 -9.840 1.00 0.00 C ATOM 0 H VAL A 3 -24.847 21.508 -9.170 1.00 0.00 H new ATOM 0 HA VAL A 3 -25.670 19.392 -10.669 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.618 20.235 -8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -28.303 22.117 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.662 22.664 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.885 22.457 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.069 19.939 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -28.733 20.080 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.061 18.719 -9.875 1.00 0.00 H new ATOM 45 N GLU A 4 -26.079 22.006 -12.515 1.00 0.00 N ATOM 46 CA GLU A 4 -26.287 22.371 -13.923 1.00 0.00 C ATOM 47 C GLU A 4 -25.790 21.290 -14.907 1.00 0.00 C ATOM 48 O GLU A 4 -26.456 21.038 -15.907 1.00 0.00 O ATOM 49 CB GLU A 4 -25.600 23.723 -14.194 1.00 0.00 C ATOM 50 CG GLU A 4 -25.887 24.300 -15.594 1.00 0.00 C ATOM 51 CD GLU A 4 -27.349 24.694 -15.807 1.00 0.00 C ATOM 52 OE1 GLU A 4 -28.212 24.723 -14.939 1.00 0.00 O ATOM 53 OE2 GLU A 4 -27.661 25.078 -17.059 1.00 0.00 O ATOM 0 H GLU A 4 -25.640 22.745 -11.966 1.00 0.00 H new ATOM 0 HA GLU A 4 -27.360 22.455 -14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -25.925 24.442 -13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -24.523 23.603 -14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.257 25.175 -15.753 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.605 23.563 -16.346 1.00 0.00 H new ATOM 61 N GLN A 5 -24.684 20.604 -14.594 1.00 0.00 N ATOM 62 CA GLN A 5 -24.112 19.517 -15.401 1.00 0.00 C ATOM 63 C GLN A 5 -24.977 18.243 -15.474 1.00 0.00 C ATOM 64 O GLN A 5 -24.681 17.366 -16.281 1.00 0.00 O ATOM 65 CB GLN A 5 -22.708 19.175 -14.865 1.00 0.00 C ATOM 66 CG GLN A 5 -21.716 20.351 -14.913 1.00 0.00 C ATOM 67 CD GLN A 5 -21.623 21.009 -16.285 1.00 0.00 C ATOM 68 OE1 GLN A 5 -21.806 22.203 -16.439 1.00 0.00 O ATOM 69 NE2 GLN A 5 -21.392 20.263 -17.344 1.00 0.00 N ATOM 0 H GLN A 5 -24.146 20.795 -13.748 1.00 0.00 H new ATOM 0 HA GLN A 5 -24.065 19.889 -16.424 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -22.798 18.830 -13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -22.301 18.346 -15.444 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -22.015 21.099 -14.179 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.728 19.995 -14.621 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.236 19.261 -17.238 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.369 20.687 -18.271 1.00 0.00 H new ATOM 78 N CYS A 6 -26.044 18.146 -14.675 1.00 0.00 N ATOM 79 CA CYS A 6 -26.998 17.034 -14.693 1.00 0.00 C ATOM 80 C CYS A 6 -28.466 17.490 -14.481 1.00 0.00 C ATOM 81 O CYS A 6 -29.354 16.705 -14.159 1.00 0.00 O ATOM 82 CB CYS A 6 -26.489 15.951 -13.724 1.00 0.00 C ATOM 83 SG CYS A 6 -27.345 14.360 -13.824 1.00 0.00 S ATOM 0 H CYS A 6 -26.274 18.857 -13.980 1.00 0.00 H new ATOM 0 HA CYS A 6 -27.043 16.588 -15.686 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -25.428 15.787 -13.914 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -26.576 16.328 -12.705 1.00 0.00 H new ATOM 88 N CYS A 7 -28.757 18.777 -14.696 1.00 0.00 N ATOM 89 CA CYS A 7 -30.091 19.382 -14.546 1.00 0.00 C ATOM 90 C CYS A 7 -30.971 19.186 -15.806 1.00 0.00 C ATOM 91 O CYS A 7 -31.679 20.098 -16.229 1.00 0.00 O ATOM 92 CB CYS A 7 -29.915 20.864 -14.163 1.00 0.00 C ATOM 93 SG CYS A 7 -30.857 21.438 -12.724 1.00 0.00 S ATOM 0 H CYS A 7 -28.050 19.451 -14.989 1.00 0.00 H new ATOM 0 HA CYS A 7 -30.632 18.874 -13.748 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -28.857 21.045 -13.974 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -30.195 21.475 -15.021 1.00 0.00 H new ATOM 98 N ALA A 8 -30.862 18.029 -16.465 1.00 0.00 N ATOM 99 CA ALA A 8 -31.324 17.813 -17.839 1.00 0.00 C ATOM 100 C ALA A 8 -31.671 16.327 -18.086 1.00 0.00 C ATOM 101 O ALA A 8 -32.308 15.689 -17.247 1.00 0.00 O ATOM 102 CB ALA A 8 -30.228 18.364 -18.775 1.00 0.00 C ATOM 0 H ALA A 8 -30.441 17.198 -16.049 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.255 18.344 -18.038 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -30.531 18.223 -19.813 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.083 19.427 -18.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.294 17.832 -18.595 1.00 0.00 H new ATOM 108 N SER A 9 -31.258 15.762 -19.227 1.00 0.00 N ATOM 109 CA SER A 9 -31.273 14.315 -19.473 1.00 0.00 C ATOM 110 C SER A 9 -30.545 13.573 -18.347 1.00 0.00 C ATOM 111 O SER A 9 -29.452 13.968 -17.954 1.00 0.00 O ATOM 112 CB SER A 9 -30.594 14.002 -20.809 1.00 0.00 C ATOM 113 OG SER A 9 -31.201 14.739 -21.856 1.00 0.00 O ATOM 0 H SER A 9 -30.900 16.303 -20.014 1.00 0.00 H new ATOM 0 HA SER A 9 -32.311 13.983 -19.506 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.533 14.246 -20.751 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.664 12.935 -21.019 1.00 0.00 H new ATOM 0 HG SER A 9 -30.756 14.530 -22.704 1.00 0.00 H new ATOM 119 N VAL A 10 -31.170 12.522 -17.812 1.00 0.00 N ATOM 120 CA VAL A 10 -30.788 11.925 -16.521 1.00 0.00 C ATOM 121 C VAL A 10 -29.403 11.264 -16.530 1.00 0.00 C ATOM 122 O VAL A 10 -29.018 10.596 -17.488 1.00 0.00 O ATOM 123 CB VAL A 10 -31.871 10.956 -16.006 1.00 0.00 C ATOM 124 CG1 VAL A 10 -33.222 11.673 -15.860 1.00 0.00 C ATOM 125 CG2 VAL A 10 -32.078 9.719 -16.891 1.00 0.00 C ATOM 0 H VAL A 10 -31.959 12.056 -18.260 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.712 12.758 -15.822 1.00 0.00 H new ATOM 0 HB VAL A 10 -31.502 10.613 -15.040 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -33.970 10.969 -15.495 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -33.123 12.496 -15.152 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -33.533 12.064 -16.829 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -32.856 9.089 -16.460 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.378 10.033 -17.891 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -31.147 9.155 -16.952 1.00 0.00 H new ATOM 135 N CYS A 11 -28.670 11.422 -15.425 1.00 0.00 N ATOM 136 CA CYS A 11 -27.255 11.066 -15.294 1.00 0.00 C ATOM 137 C CYS A 11 -26.880 10.704 -13.846 1.00 0.00 C ATOM 138 O CYS A 11 -27.571 11.055 -12.890 1.00 0.00 O ATOM 139 CB CYS A 11 -26.377 12.218 -15.828 1.00 0.00 C ATOM 140 SG CYS A 11 -27.119 13.873 -15.785 1.00 0.00 S ATOM 0 H CYS A 11 -29.059 11.815 -14.568 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.073 10.173 -15.893 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -25.453 12.241 -15.250 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -26.103 11.991 -16.858 1.00 0.00 H new ATOM 145 N SER A 12 -25.770 9.981 -13.677 1.00 0.00 N ATOM 146 CA SER A 12 -25.281 9.515 -12.372 1.00 0.00 C ATOM 147 C SER A 12 -24.779 10.654 -11.471 1.00 0.00 C ATOM 148 O SER A 12 -24.127 11.586 -11.948 1.00 0.00 O ATOM 149 CB SER A 12 -24.151 8.496 -12.567 1.00 0.00 C ATOM 150 OG SER A 12 -24.549 7.488 -13.475 1.00 0.00 O ATOM 0 H SER A 12 -25.174 9.697 -14.455 1.00 0.00 H new ATOM 0 HA SER A 12 -26.133 9.055 -11.872 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.259 8.999 -12.940 1.00 0.00 H new ATOM 0 HB3 SER A 12 -23.887 8.048 -11.609 1.00 0.00 H new ATOM 0 HG SER A 12 -23.818 6.846 -13.592 1.00 0.00 H new ATOM 156 N LEU A 13 -24.985 10.504 -10.154 1.00 0.00 N ATOM 157 CA LEU A 13 -24.721 11.497 -9.092 1.00 0.00 C ATOM 158 C LEU A 13 -23.339 12.178 -9.136 1.00 0.00 C ATOM 159 O LEU A 13 -23.211 13.341 -8.761 1.00 0.00 O ATOM 160 CB LEU A 13 -24.951 10.811 -7.727 1.00 0.00 C ATOM 161 CG LEU A 13 -23.923 9.710 -7.365 1.00 0.00 C ATOM 162 CD1 LEU A 13 -22.834 10.217 -6.419 1.00 0.00 C ATOM 163 CD2 LEU A 13 -24.600 8.537 -6.660 1.00 0.00 C ATOM 0 H LEU A 13 -25.363 9.636 -9.775 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.416 12.320 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.934 11.573 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -25.948 10.371 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 13 -23.481 9.403 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -22.139 9.407 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.295 11.038 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.290 10.568 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.855 7.779 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -25.073 8.888 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.356 8.106 -7.316 1.00 0.00 H new ATOM 175 N TYR A 14 -22.319 11.487 -9.648 1.00 0.00 N ATOM 176 CA TYR A 14 -20.950 11.992 -9.800 1.00 0.00 C ATOM 177 C TYR A 14 -20.840 13.228 -10.718 1.00 0.00 C ATOM 178 O TYR A 14 -19.833 13.927 -10.686 1.00 0.00 O ATOM 179 CB TYR A 14 -20.066 10.849 -10.328 1.00 0.00 C ATOM 180 CG TYR A 14 -20.350 9.490 -9.702 1.00 0.00 C ATOM 181 CD1 TYR A 14 -19.925 9.213 -8.389 1.00 0.00 C ATOM 182 CD2 TYR A 14 -21.082 8.524 -10.422 1.00 0.00 C ATOM 183 CE1 TYR A 14 -20.220 7.969 -7.798 1.00 0.00 C ATOM 184 CE2 TYR A 14 -21.394 7.286 -9.828 1.00 0.00 C ATOM 185 CZ TYR A 14 -20.957 7.003 -8.517 1.00 0.00 C ATOM 186 OH TYR A 14 -21.229 5.794 -7.958 1.00 0.00 O ATOM 0 H TYR A 14 -22.425 10.528 -9.980 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.612 12.329 -8.820 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.199 10.773 -11.407 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.021 11.104 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -19.372 9.956 -7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.404 8.734 -11.431 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -19.882 7.754 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.968 6.553 -10.376 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.746 5.251 -8.589 1.00 0.00 H new ATOM 196 N GLN A 15 -21.872 13.497 -11.527 1.00 0.00 N ATOM 197 CA GLN A 15 -22.000 14.675 -12.399 1.00 0.00 C ATOM 198 C GLN A 15 -22.994 15.724 -11.851 1.00 0.00 C ATOM 199 O GLN A 15 -23.394 16.630 -12.579 1.00 0.00 O ATOM 200 CB GLN A 15 -22.387 14.205 -13.817 1.00 0.00 C ATOM 201 CG GLN A 15 -21.309 13.309 -14.470 1.00 0.00 C ATOM 202 CD GLN A 15 -21.809 11.997 -15.076 1.00 0.00 C ATOM 203 OE1 GLN A 15 -21.322 11.536 -16.090 1.00 0.00 O ATOM 204 NE2 GLN A 15 -22.766 11.297 -14.504 1.00 0.00 N ATOM 0 H GLN A 15 -22.676 12.874 -11.596 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.037 15.184 -12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.327 13.656 -13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.559 15.076 -14.449 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.813 13.883 -15.253 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.554 13.076 -13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.208 11.639 -13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -23.065 10.412 -14.914 1.00 0.00 H new ATOM 213 N LEU A 16 -23.435 15.583 -10.593 1.00 0.00 N ATOM 214 CA LEU A 16 -24.567 16.317 -10.012 1.00 0.00 C ATOM 215 C LEU A 16 -24.182 17.098 -8.739 1.00 0.00 C ATOM 216 O LEU A 16 -24.649 18.223 -8.554 1.00 0.00 O ATOM 217 CB LEU A 16 -25.698 15.286 -9.784 1.00 0.00 C ATOM 218 CG LEU A 16 -27.130 15.842 -9.656 1.00 0.00 C ATOM 219 CD1 LEU A 16 -28.135 14.714 -9.894 1.00 0.00 C ATOM 220 CD2 LEU A 16 -27.444 16.424 -8.275 1.00 0.00 C ATOM 0 H LEU A 16 -23.002 14.937 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.909 17.096 -10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.682 14.576 -10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.469 14.725 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 16 -27.204 16.641 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -29.149 15.105 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.992 14.304 -10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.982 13.928 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.469 16.795 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.329 15.648 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.758 17.244 -8.061 1.00 0.00 H new ATOM 232 N GLU A 17 -23.318 16.551 -7.872 1.00 0.00 N ATOM 233 CA GLU A 17 -22.981 17.149 -6.570 1.00 0.00 C ATOM 234 C GLU A 17 -21.505 17.009 -6.164 1.00 0.00 C ATOM 235 O GLU A 17 -20.841 16.022 -6.463 1.00 0.00 O ATOM 236 CB GLU A 17 -23.886 16.549 -5.471 1.00 0.00 C ATOM 237 CG GLU A 17 -25.079 17.448 -5.114 1.00 0.00 C ATOM 238 CD GLU A 17 -24.679 18.726 -4.373 1.00 0.00 C ATOM 239 OE1 GLU A 17 -23.532 19.066 -4.072 1.00 0.00 O ATOM 240 OE2 GLU A 17 -25.708 19.546 -4.075 1.00 0.00 O ATOM 0 H GLU A 17 -22.829 15.675 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 17 -23.157 18.219 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -24.256 15.579 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.291 16.373 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -25.607 17.718 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -25.778 16.883 -4.497 1.00 0.00 H new ATOM 248 N ASN A 18 -21.036 17.989 -5.381 1.00 0.00 N ATOM 249 CA ASN A 18 -19.718 18.000 -4.720 1.00 0.00 C ATOM 250 C ASN A 18 -19.731 18.688 -3.333 1.00 0.00 C ATOM 251 O ASN A 18 -18.677 18.868 -2.732 1.00 0.00 O ATOM 252 CB ASN A 18 -18.662 18.671 -5.626 1.00 0.00 C ATOM 253 CG ASN A 18 -18.601 18.131 -7.042 1.00 0.00 C ATOM 254 OD1 ASN A 18 -19.236 18.654 -7.939 1.00 0.00 O ATOM 255 ND2 ASN A 18 -17.832 17.098 -7.293 1.00 0.00 N ATOM 0 H ASN A 18 -21.581 18.828 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 18 -19.456 16.955 -4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.868 19.741 -5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.681 18.553 -5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.765 16.731 -8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.301 16.662 -6.539 1.00 0.00 H new ATOM 262 N TYR A 19 -20.896 19.119 -2.831 1.00 0.00 N ATOM 263 CA TYR A 19 -21.012 20.033 -1.679 1.00 0.00 C ATOM 264 C TYR A 19 -21.840 19.451 -0.524 1.00 0.00 C ATOM 265 O TYR A 19 -21.545 19.731 0.641 1.00 0.00 O ATOM 266 CB TYR A 19 -21.606 21.365 -2.168 1.00 0.00 C ATOM 267 CG TYR A 19 -20.776 22.049 -3.241 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.798 22.991 -2.870 1.00 0.00 C ATOM 269 CD2 TYR A 19 -20.937 21.700 -4.598 1.00 0.00 C ATOM 270 CE1 TYR A 19 -18.968 23.575 -3.845 1.00 0.00 C ATOM 271 CE2 TYR A 19 -20.096 22.269 -5.574 1.00 0.00 C ATOM 272 CZ TYR A 19 -19.108 23.204 -5.198 1.00 0.00 C ATOM 273 OH TYR A 19 -18.302 23.750 -6.146 1.00 0.00 O ATOM 0 H TYR A 19 -21.798 18.841 -3.216 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.014 20.189 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.608 21.184 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -21.711 22.039 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.684 23.267 -1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.704 20.997 -4.888 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.226 24.305 -3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.207 21.990 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.534 23.382 -7.024 1.00 0.00 H new ATOM 283 N CYS A 20 -22.847 18.641 -0.863 1.00 0.00 N ATOM 284 CA CYS A 20 -23.698 17.834 0.014 1.00 0.00 C ATOM 285 C CYS A 20 -24.147 16.612 -0.808 1.00 0.00 C ATOM 286 O CYS A 20 -24.671 16.816 -1.907 1.00 0.00 O ATOM 287 CB CYS A 20 -24.929 18.651 0.441 1.00 0.00 C ATOM 288 SG CYS A 20 -24.625 20.178 1.375 1.00 0.00 S ATOM 0 H CYS A 20 -23.109 18.524 -1.842 1.00 0.00 H new ATOM 0 HA CYS A 20 -23.161 17.531 0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -25.491 18.910 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -25.570 18.007 1.044 1.00 0.00 H new ATOM 293 N ASN A 21 -23.898 15.386 -0.330 1.00 0.00 N ATOM 294 CA ASN A 21 -24.134 14.132 -1.071 1.00 0.00 C ATOM 295 C ASN A 21 -24.164 12.916 -0.126 1.00 0.00 C ATOM 296 O ASN A 21 -23.066 12.445 0.243 1.00 0.00 O ATOM 297 CB ASN A 21 -23.046 14.015 -2.172 1.00 0.00 C ATOM 298 CG ASN A 21 -23.094 12.735 -2.990 1.00 0.00 C ATOM 299 OD1 ASN A 21 -23.441 12.722 -4.160 1.00 0.00 O ATOM 300 ND2 ASN A 21 -22.710 11.628 -2.402 1.00 0.00 N ATOM 301 OXT ASN A 21 -25.284 12.459 0.182 1.00 0.00 O ATOM 0 H ASN A 21 -23.518 15.231 0.604 1.00 0.00 H new ATOM 0 HA ASN A 21 -25.115 14.149 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -23.142 14.864 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -22.065 14.091 -1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -22.700 10.751 -2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -22.421 11.644 -1.424 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -25.986 5.658 -3.027 1.00 0.00 N ATOM 310 CA PHE B 1 -26.355 6.997 -2.515 1.00 0.00 C ATOM 311 C PHE B 1 -27.218 7.681 -3.562 1.00 0.00 C ATOM 312 O PHE B 1 -26.939 7.466 -4.732 1.00 0.00 O ATOM 313 CB PHE B 1 -25.108 7.852 -2.213 1.00 0.00 C ATOM 314 CG PHE B 1 -23.883 7.029 -1.858 1.00 0.00 C ATOM 315 CD1 PHE B 1 -22.912 6.761 -2.844 1.00 0.00 C ATOM 316 CD2 PHE B 1 -23.764 6.449 -0.580 1.00 0.00 C ATOM 317 CE1 PHE B 1 -21.832 5.909 -2.555 1.00 0.00 C ATOM 318 CE2 PHE B 1 -22.683 5.597 -0.295 1.00 0.00 C ATOM 319 CZ PHE B 1 -21.721 5.323 -1.283 1.00 0.00 C ATOM 0 H1 PHE B 1 -26.603 4.940 -2.597 1.00 0.00 H new ATOM 0 H2 PHE B 1 -26.100 5.638 -4.061 1.00 0.00 H new ATOM 0 H3 PHE B 1 -24.996 5.454 -2.784 1.00 0.00 H new ATOM 0 HA PHE B 1 -26.902 6.885 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -24.882 8.470 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -25.332 8.530 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -22.998 7.211 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -24.502 6.659 0.180 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -21.088 5.705 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -22.591 5.152 0.685 1.00 0.00 H new ATOM 0 HZ PHE B 1 -20.896 4.661 -1.064 1.00 0.00 H new ATOM 331 N VAL B 2 -28.239 8.441 -3.167 1.00 0.00 N ATOM 332 CA VAL B 2 -28.969 9.450 -3.969 1.00 0.00 C ATOM 333 C VAL B 2 -29.848 10.233 -2.993 1.00 0.00 C ATOM 334 O VAL B 2 -30.432 9.626 -2.098 1.00 0.00 O ATOM 335 CB VAL B 2 -29.894 8.891 -5.085 1.00 0.00 C ATOM 336 CG1 VAL B 2 -29.227 8.909 -6.466 1.00 0.00 C ATOM 337 CG2 VAL B 2 -30.462 7.492 -4.813 1.00 0.00 C ATOM 0 H VAL B 2 -28.610 8.372 -2.219 1.00 0.00 H new ATOM 0 HA VAL B 2 -28.212 10.041 -4.485 1.00 0.00 H new ATOM 0 HB VAL B 2 -30.737 9.581 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -29.917 8.508 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -28.965 9.934 -6.730 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -28.324 8.298 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -31.095 7.188 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -29.643 6.782 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -31.053 7.511 -3.897 1.00 0.00 H new ATOM 347 N ASN B 3 -29.928 11.557 -3.140 1.00 0.00 N ATOM 348 CA ASN B 3 -30.640 12.429 -2.194 1.00 0.00 C ATOM 349 C ASN B 3 -32.046 12.785 -2.705 1.00 0.00 C ATOM 350 O ASN B 3 -33.042 12.423 -2.085 1.00 0.00 O ATOM 351 CB ASN B 3 -29.770 13.661 -1.873 1.00 0.00 C ATOM 352 CG ASN B 3 -28.307 13.293 -1.694 1.00 0.00 C ATOM 353 OD1 ASN B 3 -27.567 13.252 -2.662 1.00 0.00 O ATOM 354 ND2 ASN B 3 -27.894 12.952 -0.499 1.00 0.00 N ATOM 0 H ASN B 3 -29.501 12.059 -3.919 1.00 0.00 H new ATOM 0 HA ASN B 3 -30.804 11.895 -1.258 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.865 14.391 -2.677 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -30.138 14.138 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -26.932 12.643 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -28.534 12.996 0.294 1.00 0.00 H new ATOM 361 N GLN B 4 -32.126 13.443 -3.866 1.00 0.00 N ATOM 362 CA GLN B 4 -33.342 13.640 -4.663 1.00 0.00 C ATOM 363 C GLN B 4 -32.960 13.687 -6.148 1.00 0.00 C ATOM 364 O GLN B 4 -31.987 14.346 -6.508 1.00 0.00 O ATOM 365 CB GLN B 4 -34.075 14.945 -4.289 1.00 0.00 C ATOM 366 CG GLN B 4 -34.857 14.911 -2.965 1.00 0.00 C ATOM 367 CD GLN B 4 -34.132 15.603 -1.817 1.00 0.00 C ATOM 368 OE1 GLN B 4 -33.952 16.809 -1.802 1.00 0.00 O ATOM 369 NE2 GLN B 4 -33.692 14.877 -0.816 1.00 0.00 N ATOM 0 H GLN B 4 -31.307 13.873 -4.296 1.00 0.00 H new ATOM 0 HA GLN B 4 -34.017 12.809 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -33.342 15.750 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -34.767 15.195 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -35.827 15.386 -3.112 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -35.049 13.874 -2.691 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -33.836 13.867 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -33.206 15.323 -0.038 1.00 0.00 H new ATOM 378 N HIS B 5 -33.733 13.025 -7.015 1.00 0.00 N ATOM 379 CA HIS B 5 -33.522 13.021 -8.473 1.00 0.00 C ATOM 380 C HIS B 5 -34.098 14.289 -9.137 1.00 0.00 C ATOM 381 O HIS B 5 -34.981 14.216 -9.989 1.00 0.00 O ATOM 382 CB HIS B 5 -34.075 11.710 -9.056 1.00 0.00 C ATOM 383 CG HIS B 5 -33.515 11.410 -10.420 1.00 0.00 C ATOM 384 ND1 HIS B 5 -32.235 10.909 -10.654 1.00 0.00 N ATOM 385 CD2 HIS B 5 -34.121 11.664 -11.615 1.00 0.00 C ATOM 386 CE1 HIS B 5 -32.092 10.879 -11.986 1.00 0.00 C ATOM 387 NE2 HIS B 5 -33.212 11.317 -12.588 1.00 0.00 N ATOM 0 H HIS B 5 -34.536 12.468 -6.723 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.455 13.055 -8.692 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -33.841 10.887 -8.381 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.161 11.772 -9.117 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -31.549 10.624 -9.955 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -35.115 12.058 -11.767 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -31.203 10.550 -12.503 1.00 0.00 H new ATOM 395 N LEU B 6 -33.677 15.464 -8.657 1.00 0.00 N ATOM 396 CA LEU B 6 -34.333 16.757 -8.889 1.00 0.00 C ATOM 397 C LEU B 6 -33.385 17.794 -9.509 1.00 0.00 C ATOM 398 O LEU B 6 -32.277 18.010 -9.025 1.00 0.00 O ATOM 399 CB LEU B 6 -34.897 17.288 -7.549 1.00 0.00 C ATOM 400 CG LEU B 6 -36.398 17.065 -7.283 1.00 0.00 C ATOM 401 CD1 LEU B 6 -37.255 17.954 -8.185 1.00 0.00 C ATOM 402 CD2 LEU B 6 -36.853 15.614 -7.445 1.00 0.00 C ATOM 0 H LEU B 6 -32.842 15.545 -8.077 1.00 0.00 H new ATOM 0 HA LEU B 6 -35.140 16.598 -9.604 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -34.337 16.823 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -34.700 18.359 -7.499 1.00 0.00 H new ATOM 0 HG LEU B 6 -36.538 17.334 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -38.310 17.776 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.019 19.001 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.048 17.720 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -37.921 15.543 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -36.656 15.283 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -36.307 14.981 -6.746 1.00 0.00 H new ATOM 414 N CYS B 7 -33.886 18.509 -10.517 1.00 0.00 N ATOM 415 CA CYS B 7 -33.364 19.810 -10.944 1.00 0.00 C ATOM 416 C CYS B 7 -34.118 20.957 -10.216 1.00 0.00 C ATOM 417 O CYS B 7 -34.936 20.713 -9.325 1.00 0.00 O ATOM 418 CB CYS B 7 -33.439 19.849 -12.485 1.00 0.00 C ATOM 419 SG CYS B 7 -32.804 21.340 -13.307 1.00 0.00 S ATOM 0 H CYS B 7 -34.682 18.194 -11.071 1.00 0.00 H new ATOM 0 HA CYS B 7 -32.321 19.956 -10.664 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -32.891 18.990 -12.872 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -34.481 19.720 -12.776 1.00 0.00 H new ATOM 424 N GLY B 8 -33.870 22.216 -10.584 1.00 0.00 N ATOM 425 CA GLY B 8 -34.587 23.387 -10.069 1.00 0.00 C ATOM 426 C GLY B 8 -33.945 23.966 -8.807 1.00 0.00 C ATOM 427 O GLY B 8 -32.751 24.253 -8.792 1.00 0.00 O ATOM 0 H GLY B 8 -33.149 22.456 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -34.619 24.156 -10.841 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -35.619 23.110 -9.852 1.00 0.00 H new ATOM 431 N SER B 9 -34.737 24.167 -7.749 1.00 0.00 N ATOM 432 CA SER B 9 -34.270 24.791 -6.495 1.00 0.00 C ATOM 433 C SER B 9 -34.723 24.060 -5.224 1.00 0.00 C ATOM 434 O SER B 9 -34.200 24.311 -4.138 1.00 0.00 O ATOM 435 CB SER B 9 -34.704 26.260 -6.470 1.00 0.00 C ATOM 436 OG SER B 9 -34.091 26.953 -5.404 1.00 0.00 O ATOM 0 H SER B 9 -35.722 23.903 -7.732 1.00 0.00 H new ATOM 0 HA SER B 9 -33.182 24.718 -6.489 1.00 0.00 H new ATOM 0 HB2 SER B 9 -34.443 26.736 -7.415 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.788 26.321 -6.372 1.00 0.00 H new ATOM 0 HG SER B 9 -33.917 26.331 -4.667 1.00 0.00 H new ATOM 442 N HIS B 10 -35.680 23.137 -5.329 1.00 0.00 N ATOM 443 CA HIS B 10 -36.298 22.463 -4.184 1.00 0.00 C ATOM 444 C HIS B 10 -35.294 21.640 -3.371 1.00 0.00 C ATOM 445 O HIS B 10 -35.273 21.740 -2.147 1.00 0.00 O ATOM 446 CB HIS B 10 -37.454 21.591 -4.698 1.00 0.00 C ATOM 447 CG HIS B 10 -38.452 22.350 -5.544 1.00 0.00 C ATOM 448 ND1 HIS B 10 -38.198 22.882 -6.815 1.00 0.00 N ATOM 449 CD2 HIS B 10 -39.738 22.635 -5.192 1.00 0.00 C ATOM 450 CE1 HIS B 10 -39.349 23.457 -7.202 1.00 0.00 C ATOM 451 NE2 HIS B 10 -40.286 23.330 -6.247 1.00 0.00 N ATOM 0 H HIS B 10 -36.054 22.831 -6.227 1.00 0.00 H new ATOM 0 HA HIS B 10 -36.679 23.219 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -37.045 20.768 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -37.972 21.150 -3.847 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -40.230 22.368 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -39.500 23.953 -8.150 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -41.240 23.687 -6.295 1.00 0.00 H new ATOM 459 N LEU B 11 -34.415 20.887 -4.044 1.00 0.00 N ATOM 460 CA LEU B 11 -33.426 20.027 -3.386 1.00 0.00 C ATOM 461 C LEU B 11 -32.307 20.815 -2.680 1.00 0.00 C ATOM 462 O LEU B 11 -31.907 20.440 -1.583 1.00 0.00 O ATOM 463 CB LEU B 11 -32.950 18.919 -4.356 1.00 0.00 C ATOM 464 CG LEU B 11 -32.016 19.211 -5.552 1.00 0.00 C ATOM 465 CD1 LEU B 11 -32.437 20.409 -6.410 1.00 0.00 C ATOM 466 CD2 LEU B 11 -30.549 19.354 -5.142 1.00 0.00 C ATOM 0 H LEU B 11 -34.370 20.858 -5.063 1.00 0.00 H new ATOM 0 HA LEU B 11 -33.910 19.513 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -32.452 18.164 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -33.848 18.456 -4.766 1.00 0.00 H new ATOM 0 HG LEU B 11 -32.119 18.323 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.726 20.540 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -33.431 20.231 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.454 21.309 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -29.943 19.558 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -30.448 20.176 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -30.210 18.429 -4.675 1.00 0.00 H new ATOM 478 N VAL B 12 -31.853 21.957 -3.218 1.00 0.00 N ATOM 479 CA VAL B 12 -30.858 22.803 -2.520 1.00 0.00 C ATOM 480 C VAL B 12 -31.471 23.551 -1.333 1.00 0.00 C ATOM 481 O VAL B 12 -30.785 23.777 -0.337 1.00 0.00 O ATOM 482 CB VAL B 12 -30.103 23.768 -3.453 1.00 0.00 C ATOM 483 CG1 VAL B 12 -29.254 23.004 -4.476 1.00 0.00 C ATOM 484 CG2 VAL B 12 -31.002 24.750 -4.209 1.00 0.00 C ATOM 0 H VAL B 12 -32.152 22.318 -4.124 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.113 22.107 -2.134 1.00 0.00 H new ATOM 0 HB VAL B 12 -29.471 24.351 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -28.734 23.714 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -28.524 22.385 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -29.900 22.369 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -30.389 25.391 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -31.706 24.195 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.552 25.364 -3.495 1.00 0.00 H new ATOM 494 N GLU B 13 -32.769 23.876 -1.388 1.00 0.00 N ATOM 495 CA GLU B 13 -33.494 24.429 -0.244 1.00 0.00 C ATOM 496 C GLU B 13 -33.716 23.373 0.849 1.00 0.00 C ATOM 497 O GLU B 13 -33.493 23.659 2.022 1.00 0.00 O ATOM 498 CB GLU B 13 -34.812 25.058 -0.729 1.00 0.00 C ATOM 499 CG GLU B 13 -35.590 25.789 0.381 1.00 0.00 C ATOM 500 CD GLU B 13 -34.862 27.009 0.947 1.00 0.00 C ATOM 501 OE1 GLU B 13 -33.792 27.451 0.554 1.00 0.00 O ATOM 502 OE2 GLU B 13 -35.505 27.628 1.955 1.00 0.00 O ATOM 0 H GLU B 13 -33.341 23.762 -2.225 1.00 0.00 H new ATOM 0 HA GLU B 13 -32.891 25.212 0.216 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.595 25.761 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.444 24.277 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.556 26.105 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.790 25.089 1.192 1.00 0.00 H new ATOM 510 N ALA B 14 -34.069 22.135 0.484 1.00 0.00 N ATOM 511 CA ALA B 14 -34.117 21.017 1.428 1.00 0.00 C ATOM 512 C ALA B 14 -32.740 20.769 2.074 1.00 0.00 C ATOM 513 O ALA B 14 -32.637 20.684 3.297 1.00 0.00 O ATOM 514 CB ALA B 14 -34.645 19.773 0.704 1.00 0.00 C ATOM 0 H ALA B 14 -34.328 21.883 -0.470 1.00 0.00 H new ATOM 0 HA ALA B 14 -34.797 21.261 2.244 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -34.684 18.936 1.401 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -35.646 19.973 0.320 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -33.982 19.525 -0.125 1.00 0.00 H new ATOM 520 N LEU B 15 -31.664 20.748 1.278 1.00 0.00 N ATOM 521 CA LEU B 15 -30.284 20.634 1.763 1.00 0.00 C ATOM 522 C LEU B 15 -29.813 21.839 2.597 1.00 0.00 C ATOM 523 O LEU B 15 -28.836 21.696 3.326 1.00 0.00 O ATOM 524 CB LEU B 15 -29.333 20.375 0.580 1.00 0.00 C ATOM 525 CG LEU B 15 -29.493 18.983 -0.065 1.00 0.00 C ATOM 526 CD1 LEU B 15 -28.771 18.952 -1.413 1.00 0.00 C ATOM 527 CD2 LEU B 15 -28.910 17.874 0.816 1.00 0.00 C ATOM 0 H LEU B 15 -31.729 20.811 0.262 1.00 0.00 H new ATOM 0 HA LEU B 15 -30.263 19.785 2.446 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -29.501 21.137 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -28.305 20.488 0.923 1.00 0.00 H new ATOM 0 HG LEU B 15 -30.561 18.806 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -28.887 17.967 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -29.199 19.707 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.712 19.160 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -29.044 16.910 0.324 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -27.847 18.056 0.974 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -29.424 17.865 1.777 1.00 0.00 H new ATOM 539 N TYR B 16 -30.481 22.997 2.568 1.00 0.00 N ATOM 540 CA TYR B 16 -30.161 24.088 3.497 1.00 0.00 C ATOM 541 C TYR B 16 -30.413 23.663 4.952 1.00 0.00 C ATOM 542 O TYR B 16 -29.596 23.943 5.826 1.00 0.00 O ATOM 543 CB TYR B 16 -30.935 25.356 3.112 1.00 0.00 C ATOM 544 CG TYR B 16 -30.403 26.609 3.779 1.00 0.00 C ATOM 545 CD1 TYR B 16 -30.901 27.016 5.032 1.00 0.00 C ATOM 546 CD2 TYR B 16 -29.389 27.360 3.152 1.00 0.00 C ATOM 547 CE1 TYR B 16 -30.390 28.170 5.657 1.00 0.00 C ATOM 548 CE2 TYR B 16 -28.877 28.515 3.772 1.00 0.00 C ATOM 549 CZ TYR B 16 -29.376 28.923 5.025 1.00 0.00 C ATOM 550 OH TYR B 16 -28.877 30.038 5.620 1.00 0.00 O ATOM 0 H TYR B 16 -31.240 23.203 1.918 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.099 24.320 3.421 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.895 25.484 2.030 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.984 25.228 3.379 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -31.677 26.441 5.515 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -29.003 27.048 2.193 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.773 28.479 6.618 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -28.101 29.089 3.287 1.00 0.00 H new ATOM 0 HH TYR B 16 -28.186 30.433 5.048 1.00 0.00 H new ATOM 560 N LEU B 17 -31.490 22.907 5.195 1.00 0.00 N ATOM 561 CA LEU B 17 -31.764 22.265 6.481 1.00 0.00 C ATOM 562 C LEU B 17 -30.998 20.935 6.612 1.00 0.00 C ATOM 563 O LEU B 17 -30.256 20.739 7.568 1.00 0.00 O ATOM 564 CB LEU B 17 -33.283 22.046 6.652 1.00 0.00 C ATOM 565 CG LEU B 17 -34.121 23.322 6.890 1.00 0.00 C ATOM 566 CD1 LEU B 17 -34.337 24.168 5.631 1.00 0.00 C ATOM 567 CD2 LEU B 17 -35.503 22.927 7.418 1.00 0.00 C ATOM 0 H LEU B 17 -32.205 22.723 4.491 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.416 22.924 7.276 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -33.662 21.546 5.761 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -33.442 21.368 7.490 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.555 23.922 7.602 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.934 25.045 5.880 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.372 24.486 5.236 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -34.859 23.576 4.880 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -36.098 23.824 7.587 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -36.004 22.292 6.687 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -35.392 22.383 8.356 1.00 0.00 H new ATOM 579 N VAL B 18 -31.144 20.030 5.638 1.00 0.00 N ATOM 580 CA VAL B 18 -30.682 18.626 5.719 1.00 0.00 C ATOM 581 C VAL B 18 -29.153 18.472 5.685 1.00 0.00 C ATOM 582 O VAL B 18 -28.623 17.544 6.284 1.00 0.00 O ATOM 583 CB VAL B 18 -31.372 17.785 4.619 1.00 0.00 C ATOM 584 CG1 VAL B 18 -30.858 16.343 4.512 1.00 0.00 C ATOM 585 CG2 VAL B 18 -32.885 17.703 4.873 1.00 0.00 C ATOM 0 H VAL B 18 -31.595 20.250 4.750 1.00 0.00 H new ATOM 0 HA VAL B 18 -30.976 18.247 6.698 1.00 0.00 H new ATOM 0 HB VAL B 18 -31.137 18.303 3.689 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -31.394 15.824 3.718 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -29.792 16.353 4.284 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -31.022 15.827 5.458 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -33.354 17.108 4.089 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -33.067 17.236 5.841 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -33.310 18.707 4.869 1.00 0.00 H new ATOM 595 N CYS B 19 -28.427 19.377 5.022 1.00 0.00 N ATOM 596 CA CYS B 19 -26.960 19.444 5.090 1.00 0.00 C ATOM 597 C CYS B 19 -26.471 20.438 6.168 1.00 0.00 C ATOM 598 O CYS B 19 -25.273 20.514 6.439 1.00 0.00 O ATOM 599 CB CYS B 19 -26.446 19.782 3.683 1.00 0.00 C ATOM 600 SG CYS B 19 -24.680 19.613 3.331 1.00 0.00 S ATOM 0 H CYS B 19 -28.840 20.088 4.419 1.00 0.00 H new ATOM 0 HA CYS B 19 -26.552 18.482 5.402 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -26.984 19.151 2.976 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -26.727 20.813 3.469 1.00 0.00 H new ATOM 605 N GLY B 20 -27.382 21.238 6.746 1.00 0.00 N ATOM 606 CA GLY B 20 -27.205 22.153 7.888 1.00 0.00 C ATOM 607 C GLY B 20 -26.199 23.306 7.744 1.00 0.00 C ATOM 608 O GLY B 20 -26.201 24.221 8.559 1.00 0.00 O ATOM 0 H GLY B 20 -28.341 21.264 6.399 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.177 22.586 8.121 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -26.907 21.556 8.750 1.00 0.00 H new ATOM 612 N GLU B 21 -25.302 23.250 6.757 1.00 0.00 N ATOM 613 CA GLU B 21 -24.033 23.989 6.752 1.00 0.00 C ATOM 614 C GLU B 21 -23.684 24.573 5.366 1.00 0.00 C ATOM 615 O GLU B 21 -22.499 24.726 5.052 1.00 0.00 O ATOM 616 CB GLU B 21 -22.910 23.064 7.285 1.00 0.00 C ATOM 617 CG GLU B 21 -23.168 22.420 8.662 1.00 0.00 C ATOM 618 CD GLU B 21 -23.330 23.433 9.791 1.00 0.00 C ATOM 619 OE1 GLU B 21 -22.914 24.582 9.772 1.00 0.00 O ATOM 620 OE2 GLU B 21 -23.934 22.957 10.896 1.00 0.00 O ATOM 0 H GLU B 21 -25.438 22.680 5.922 1.00 0.00 H new ATOM 0 HA GLU B 21 -24.137 24.852 7.410 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -22.745 22.269 6.558 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -21.987 23.641 7.342 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.067 21.807 8.604 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -22.341 21.751 8.901 1.00 0.00 H new ATOM 628 N ARG B 22 -24.695 24.799 4.501 1.00 0.00 N ATOM 629 CA ARG B 22 -24.621 25.578 3.233 1.00 0.00 C ATOM 630 C ARG B 22 -25.935 25.669 2.450 1.00 0.00 C ATOM 631 O ARG B 22 -26.301 26.748 2.000 1.00 0.00 O ATOM 632 CB ARG B 22 -23.535 25.049 2.265 1.00 0.00 C ATOM 633 CG ARG B 22 -23.589 23.540 1.939 1.00 0.00 C ATOM 634 CD ARG B 22 -22.192 22.926 1.795 1.00 0.00 C ATOM 635 NE ARG B 22 -21.482 22.964 3.086 1.00 0.00 N ATOM 636 CZ ARG B 22 -20.750 22.028 3.653 1.00 0.00 C ATOM 637 NH1 ARG B 22 -20.498 20.876 3.094 1.00 0.00 N ATOM 638 NH2 ARG B 22 -20.261 22.263 4.836 1.00 0.00 N ATOM 0 H ARG B 22 -25.631 24.429 4.669 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.366 26.577 3.587 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -23.609 25.604 1.330 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -22.557 25.273 2.692 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -24.133 23.019 2.727 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -24.147 23.390 1.014 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -22.274 21.896 1.447 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.623 23.472 1.043 1.00 0.00 H new ATOM 0 HE ARG B 22 -21.570 23.834 3.612 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -20.875 20.664 2.170 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -19.924 20.188 3.581 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -20.449 23.153 5.298 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.690 21.557 5.301 1.00 0.00 H new ATOM 652 N GLY B 23 -26.571 24.530 2.163 1.00 0.00 N ATOM 653 CA GLY B 23 -27.603 24.379 1.119 1.00 0.00 C ATOM 654 C GLY B 23 -27.127 24.678 -0.314 1.00 0.00 C ATOM 655 O GLY B 23 -27.044 23.776 -1.145 1.00 0.00 O ATOM 0 H GLY B 23 -26.381 23.660 2.661 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -27.986 23.359 1.153 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -28.436 25.041 1.355 1.00 0.00 H new ATOM 659 N PHE B 24 -26.790 25.942 -0.595 1.00 0.00 N ATOM 660 CA PHE B 24 -26.559 26.493 -1.939 1.00 0.00 C ATOM 661 C PHE B 24 -25.306 27.391 -2.070 1.00 0.00 C ATOM 662 O PHE B 24 -25.183 28.121 -3.053 1.00 0.00 O ATOM 663 CB PHE B 24 -27.839 27.226 -2.389 1.00 0.00 C ATOM 664 CG PHE B 24 -28.226 28.408 -1.514 1.00 0.00 C ATOM 665 CD1 PHE B 24 -29.183 28.245 -0.494 1.00 0.00 C ATOM 666 CD2 PHE B 24 -27.628 29.669 -1.710 1.00 0.00 C ATOM 667 CE1 PHE B 24 -29.526 29.331 0.331 1.00 0.00 C ATOM 668 CE2 PHE B 24 -27.963 30.750 -0.877 1.00 0.00 C ATOM 669 CZ PHE B 24 -28.911 30.581 0.146 1.00 0.00 C ATOM 0 H PHE B 24 -26.665 26.640 0.138 1.00 0.00 H new ATOM 0 HA PHE B 24 -26.341 25.655 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -27.702 27.576 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -28.665 26.514 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -29.654 27.285 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -26.909 29.805 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -30.264 29.204 1.109 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -27.492 31.711 -1.023 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.167 31.410 0.789 1.00 0.00 H new ATOM 679 N PHE B 25 -24.371 27.369 -1.113 1.00 0.00 N ATOM 680 CA PHE B 25 -23.157 28.203 -1.172 1.00 0.00 C ATOM 681 C PHE B 25 -22.252 27.876 -2.380 1.00 0.00 C ATOM 682 O PHE B 25 -21.960 26.713 -2.655 1.00 0.00 O ATOM 683 CB PHE B 25 -22.335 28.079 0.121 1.00 0.00 C ATOM 684 CG PHE B 25 -22.955 28.527 1.437 1.00 0.00 C ATOM 685 CD1 PHE B 25 -22.209 28.334 2.617 1.00 0.00 C ATOM 686 CD2 PHE B 25 -24.217 29.154 1.517 1.00 0.00 C ATOM 687 CE1 PHE B 25 -22.719 28.745 3.862 1.00 0.00 C ATOM 688 CE2 PHE B 25 -24.730 29.557 2.763 1.00 0.00 C ATOM 689 CZ PHE B 25 -23.983 29.354 3.935 1.00 0.00 C ATOM 0 H PHE B 25 -24.430 26.780 -0.282 1.00 0.00 H new ATOM 0 HA PHE B 25 -23.512 29.227 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -22.051 27.032 0.231 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -21.415 28.646 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -21.237 27.866 2.565 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -24.791 29.325 0.618 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -22.140 28.593 4.761 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -25.702 30.024 2.819 1.00 0.00 H new ATOM 0 HZ PHE B 25 -24.379 29.665 4.890 1.00 0.00 H new ATOM 699 N TYR B 26 -21.756 28.928 -3.041 1.00 0.00 N ATOM 700 CA TYR B 26 -20.785 28.926 -4.146 1.00 0.00 C ATOM 701 C TYR B 26 -19.888 30.177 -4.047 1.00 0.00 C ATOM 702 O TYR B 26 -20.020 30.973 -3.117 1.00 0.00 O ATOM 703 CB TYR B 26 -21.525 28.860 -5.504 1.00 0.00 C ATOM 704 CG TYR B 26 -21.988 27.464 -5.867 1.00 0.00 C ATOM 705 CD1 TYR B 26 -21.079 26.559 -6.449 1.00 0.00 C ATOM 706 CD2 TYR B 26 -23.290 27.041 -5.547 1.00 0.00 C ATOM 707 CE1 TYR B 26 -21.447 25.216 -6.637 1.00 0.00 C ATOM 708 CE2 TYR B 26 -23.652 25.689 -5.698 1.00 0.00 C ATOM 709 CZ TYR B 26 -22.713 24.770 -6.209 1.00 0.00 C ATOM 710 OH TYR B 26 -23.036 23.460 -6.328 1.00 0.00 O ATOM 0 H TYR B 26 -22.044 29.877 -2.800 1.00 0.00 H new ATOM 0 HA TYR B 26 -20.148 28.045 -4.075 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -22.388 29.525 -5.472 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -20.865 29.232 -6.288 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -20.099 26.897 -6.751 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -24.014 27.755 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -20.761 24.528 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -24.643 25.358 -5.424 1.00 0.00 H new ATOM 0 HH TYR B 26 -22.328 22.911 -5.931 1.00 0.00 H new ATOM 720 N THR B 27 -18.973 30.369 -5.002 1.00 0.00 N ATOM 721 CA THR B 27 -18.241 31.636 -5.180 1.00 0.00 C ATOM 722 C THR B 27 -19.208 32.828 -5.288 1.00 0.00 C ATOM 723 O THR B 27 -20.246 32.694 -5.945 1.00 0.00 O ATOM 724 CB THR B 27 -17.388 31.586 -6.456 1.00 0.00 C ATOM 725 OG1 THR B 27 -18.177 31.126 -7.533 1.00 0.00 O ATOM 726 CG2 THR B 27 -16.194 30.644 -6.321 1.00 0.00 C ATOM 0 H THR B 27 -18.715 29.650 -5.678 1.00 0.00 H new ATOM 0 HA THR B 27 -17.603 31.768 -4.306 1.00 0.00 H new ATOM 0 HB THR B 27 -17.019 32.597 -6.630 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.633 31.096 -8.348 1.00 0.00 H new ATOM 0 HG21 THR B 27 -15.623 30.645 -7.250 1.00 0.00 H new ATOM 0 HG22 THR B 27 -15.556 30.980 -5.503 1.00 0.00 H new ATOM 0 HG23 THR B 27 -16.549 29.634 -6.114 1.00 0.00 H new ATOM 734 N PRO B 28 -18.895 33.986 -4.675 1.00 0.00 N ATOM 735 CA PRO B 28 -19.810 35.124 -4.591 1.00 0.00 C ATOM 736 C PRO B 28 -20.055 35.817 -5.940 1.00 0.00 C ATOM 737 O PRO B 28 -19.188 35.851 -6.813 1.00 0.00 O ATOM 738 CB PRO B 28 -19.172 36.087 -3.582 1.00 0.00 C ATOM 739 CG PRO B 28 -17.678 35.803 -3.732 1.00 0.00 C ATOM 740 CD PRO B 28 -17.651 34.296 -3.982 1.00 0.00 C ATOM 0 HA PRO B 28 -20.799 34.787 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -19.410 37.126 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -19.519 35.896 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -17.240 36.360 -4.561 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.121 36.076 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -16.787 34.015 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -17.578 33.745 -3.044 1.00 0.00 H new ATOM 748 N LYS B 29 -21.240 36.425 -6.068 1.00 0.00 N ATOM 749 CA LYS B 29 -21.567 37.430 -7.089 1.00 0.00 C ATOM 750 C LYS B 29 -21.179 38.842 -6.594 1.00 0.00 C ATOM 751 O LYS B 29 -21.322 39.116 -5.403 1.00 0.00 O ATOM 752 CB LYS B 29 -23.074 37.313 -7.448 1.00 0.00 C ATOM 753 CG LYS B 29 -23.521 38.534 -8.258 1.00 0.00 C ATOM 754 CD LYS B 29 -24.942 38.636 -8.813 1.00 0.00 C ATOM 755 CE LYS B 29 -24.966 40.071 -9.368 1.00 0.00 C ATOM 756 NZ LYS B 29 -26.268 40.516 -9.895 1.00 0.00 N ATOM 0 H LYS B 29 -22.023 36.226 -5.445 1.00 0.00 H new ATOM 0 HA LYS B 29 -20.992 37.251 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -23.249 36.403 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -23.667 37.235 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -23.361 39.410 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -22.841 38.621 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -25.131 37.895 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -25.694 38.485 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -24.659 40.755 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -24.224 40.149 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -26.186 41.492 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -26.559 39.892 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -26.980 40.479 -9.138 1.00 0.00 H new ATOM 770 N ALA B 30 -20.806 39.728 -7.527 1.00 0.00 N ATOM 771 CA ALA B 30 -21.051 41.178 -7.460 1.00 0.00 C ATOM 772 C ALA B 30 -22.205 41.556 -8.414 1.00 0.00 C ATOM 773 O ALA B 30 -23.196 42.150 -7.940 1.00 0.00 O ATOM 774 CB ALA B 30 -19.747 41.922 -7.781 1.00 0.00 C ATOM 775 OXT ALA B 30 -22.170 41.102 -9.580 1.00 0.00 O ATOM 0 H ALA B 30 -20.311 39.449 -8.374 1.00 0.00 H new ATOM 0 HA ALA B 30 -21.360 41.472 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -19.920 42.997 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -18.982 41.645 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -19.411 41.653 -8.782 1.00 0.00 H new TER 781 ALA B 30