USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.25) USER MOD Single : A 8 THR OG1 : rot -81:sc= 0.677 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 K(o=0,f=-0.59) USER MOD Single : A 18 ASN : amide:sc= -0.0121 X(o=-0.012,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 33 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 34 GLN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 0.451 K(o=0.45,f=-5!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc=-0.00431 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.950 1.378 -1.922 1.00 25.00 N ATOM 2 CA GLY A 1 3.899 0.976 -0.895 1.00 25.00 C ATOM 3 C GLY A 1 4.531 -0.400 -1.049 1.00 25.00 C ATOM 4 O GLY A 1 4.025 -1.281 -1.679 1.00 25.00 O ATOM 0 H1 GLY A 1 2.589 2.330 -1.708 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.424 1.387 -2.848 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.158 0.705 -1.945 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.699 1.716 -0.862 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.392 1.012 0.069 1.00 25.00 H new ATOM 9 N ILE A 2 5.693 -0.554 -0.392 1.00 25.00 N ATOM 10 CA ILE A 2 6.488 -1.742 -0.556 1.00 25.00 C ATOM 11 C ILE A 2 5.721 -3.003 -0.122 1.00 25.00 C ATOM 12 O ILE A 2 5.882 -4.077 -0.755 1.00 25.00 O ATOM 13 CB ILE A 2 7.876 -1.644 0.131 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.753 -2.799 -0.330 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.743 -1.516 1.699 1.00 25.00 C ATOM 16 CD1 ILE A 2 10.247 -2.639 0.084 1.00 25.00 C ATOM 0 H ILE A 2 6.085 0.135 0.250 1.00 25.00 H new ATOM 0 HA ILE A 2 6.687 -1.830 -1.624 1.00 25.00 H new ATOM 0 HB ILE A 2 8.375 -0.725 -0.176 1.00 25.00 H new ATOM 0 HG12 ILE A 2 8.365 -3.729 0.085 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.690 -2.884 -1.415 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.736 -1.450 2.144 1.00 25.00 H new ATOM 0 HG22 ILE A 2 7.175 -0.619 1.944 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.226 -2.391 2.093 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.818 -3.495 -0.275 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.650 -1.725 -0.353 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.320 -2.584 1.170 1.00 25.00 H new ATOM 28 N VAL A 3 4.837 -2.870 0.867 1.00 25.00 N ATOM 29 CA VAL A 3 4.058 -4.018 1.286 1.00 25.00 C ATOM 30 C VAL A 3 3.097 -4.460 0.165 1.00 25.00 C ATOM 31 O VAL A 3 3.078 -5.613 -0.242 1.00 25.00 O ATOM 32 CB VAL A 3 3.257 -3.778 2.567 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.352 -4.955 2.865 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.169 -3.478 3.743 1.00 25.00 C ATOM 0 H VAL A 3 4.651 -2.005 1.375 1.00 25.00 H new ATOM 0 HA VAL A 3 4.782 -4.805 1.499 1.00 25.00 H new ATOM 0 HB VAL A 3 2.630 -2.901 2.407 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.793 -4.761 3.780 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.656 -5.098 2.038 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.955 -5.854 2.992 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.568 -3.313 4.637 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.840 -4.321 3.908 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.756 -2.584 3.530 1.00 25.00 H new ATOM 44 N GLU A 4 2.370 -3.523 -0.398 1.00 25.00 N ATOM 45 CA GLU A 4 1.418 -3.832 -1.465 1.00 25.00 C ATOM 46 C GLU A 4 2.221 -4.367 -2.686 1.00 25.00 C ATOM 47 O GLU A 4 1.769 -5.286 -3.375 1.00 25.00 O ATOM 48 CB GLU A 4 0.645 -2.567 -1.852 1.00 25.00 C ATOM 49 CG GLU A 4 -0.300 -2.098 -0.749 1.00 25.00 C ATOM 50 CD GLU A 4 -1.061 -0.895 -1.129 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.567 0.168 -1.259 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.285 -1.112 -1.329 1.00 25.00 O ATOM 0 H GLU A 4 2.412 -2.537 -0.142 1.00 25.00 H new ATOM 0 HA GLU A 4 0.701 -4.582 -1.132 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.352 -1.770 -2.083 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.072 -2.759 -2.759 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.995 -2.901 -0.505 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.275 -1.890 0.153 1.00 25.00 H new ATOM 60 N GLN A 5 3.390 -3.794 -2.904 1.00 25.00 N ATOM 61 CA GLN A 5 4.215 -4.185 -4.028 1.00 25.00 C ATOM 62 C GLN A 5 4.828 -5.582 -3.936 1.00 25.00 C ATOM 63 O GLN A 5 4.992 -6.241 -4.953 1.00 25.00 O ATOM 64 CB GLN A 5 5.330 -3.164 -4.270 1.00 25.00 C ATOM 65 CG GLN A 5 5.773 -3.106 -5.725 1.00 25.00 C ATOM 66 CD GLN A 5 4.647 -2.624 -6.638 1.00 25.00 C ATOM 67 OE1 GLN A 5 4.058 -1.590 -6.378 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.375 -3.342 -7.682 1.00 25.00 N ATOM 0 H GLN A 5 3.787 -3.059 -2.319 1.00 25.00 H new ATOM 0 HA GLN A 5 3.522 -4.213 -4.869 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.986 -2.177 -3.960 1.00 25.00 H new ATOM 0 HB3 GLN A 5 6.187 -3.414 -3.644 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.629 -2.438 -5.819 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.103 -4.094 -6.045 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.895 -4.201 -7.860 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.641 -3.048 -8.326 1.00 25.00 H new ATOM 77 N CYS A 6 5.177 -6.047 -2.741 1.00 25.00 N ATOM 78 CA CYS A 6 5.843 -7.371 -2.624 1.00 25.00 C ATOM 79 C CYS A 6 4.917 -8.510 -2.132 1.00 25.00 C ATOM 80 O CYS A 6 5.184 -9.688 -2.347 1.00 25.00 O ATOM 81 CB CYS A 6 7.114 -7.280 -1.778 1.00 25.00 C ATOM 82 SG CYS A 6 8.659 -7.727 -2.663 1.00 25.00 S ATOM 0 H CYS A 6 5.024 -5.559 -1.859 1.00 25.00 H new ATOM 0 HA CYS A 6 6.119 -7.646 -3.642 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.210 -6.262 -1.399 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.005 -7.933 -0.912 1.00 25.00 H new ATOM 87 N CYS A 7 3.818 -8.167 -1.468 1.00 25.00 N ATOM 88 CA CYS A 7 2.833 -9.158 -1.038 1.00 25.00 C ATOM 89 C CYS A 7 2.113 -9.734 -2.255 1.00 25.00 C ATOM 90 O CYS A 7 1.523 -10.823 -2.172 1.00 25.00 O ATOM 91 CB CYS A 7 1.759 -8.552 -0.081 1.00 25.00 C ATOM 92 SG CYS A 7 1.089 -9.741 1.155 1.00 25.00 S ATOM 0 H CYS A 7 3.585 -7.207 -1.214 1.00 25.00 H new ATOM 0 HA CYS A 7 3.379 -9.933 -0.500 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.196 -7.705 0.447 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.934 -8.164 -0.679 1.00 25.00 H new ATOM 97 N THR A 8 2.118 -8.965 -3.357 1.00 25.00 N ATOM 98 CA THR A 8 1.507 -9.369 -4.658 1.00 25.00 C ATOM 99 C THR A 8 2.678 -9.736 -5.608 1.00 25.00 C ATOM 100 O THR A 8 3.753 -9.163 -5.466 1.00 25.00 O ATOM 101 CB THR A 8 0.565 -8.254 -5.336 1.00 25.00 C ATOM 102 OG1 THR A 8 1.328 -7.077 -5.636 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.571 -7.871 -4.474 1.00 25.00 C ATOM 0 H THR A 8 2.545 -8.039 -3.382 1.00 25.00 H new ATOM 0 HA THR A 8 0.838 -10.209 -4.471 1.00 25.00 H new ATOM 0 HB THR A 8 0.166 -8.698 -6.248 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.426 -6.535 -4.825 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.173 -7.117 -4.980 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.185 -8.748 -4.270 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.195 -7.465 -3.535 1.00 25.00 H new ATOM 111 N SER A 9 2.484 -10.656 -6.531 1.00 25.00 N ATOM 112 CA SER A 9 3.555 -11.090 -7.493 1.00 25.00 C ATOM 113 C SER A 9 4.843 -11.671 -6.825 1.00 25.00 C ATOM 114 O SER A 9 4.920 -11.750 -5.595 1.00 25.00 O ATOM 115 CB SER A 9 3.955 -9.946 -8.414 1.00 25.00 C ATOM 116 OG SER A 9 2.808 -9.389 -9.067 1.00 25.00 O ATOM 0 H SER A 9 1.595 -11.140 -6.660 1.00 25.00 H new ATOM 0 HA SER A 9 3.099 -11.904 -8.056 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.463 -9.172 -7.839 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.664 -10.305 -9.160 1.00 25.00 H new ATOM 0 HG SER A 9 3.089 -8.655 -9.652 1.00 25.00 H new ATOM 122 N ILE A 10 5.805 -12.136 -7.611 1.00 25.00 N ATOM 123 CA ILE A 10 7.040 -12.696 -7.061 1.00 25.00 C ATOM 124 C ILE A 10 8.073 -11.562 -6.950 1.00 25.00 C ATOM 125 O ILE A 10 8.280 -10.789 -7.917 1.00 25.00 O ATOM 126 CB ILE A 10 7.607 -13.875 -7.953 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.596 -15.040 -8.104 1.00 25.00 C ATOM 128 CG2 ILE A 10 8.943 -14.384 -7.402 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.289 -15.817 -6.787 1.00 25.00 C ATOM 0 H ILE A 10 5.758 -12.138 -8.630 1.00 25.00 H new ATOM 0 HA ILE A 10 6.830 -13.121 -6.080 1.00 25.00 H new ATOM 0 HB ILE A 10 7.774 -13.466 -8.949 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.662 -14.642 -8.500 1.00 25.00 H new ATOM 0 HG13 ILE A 10 6.982 -15.743 -8.842 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.312 -15.193 -8.032 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.668 -13.570 -7.396 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.801 -14.751 -6.386 1.00 25.00 H new ATOM 0 HD11 ILE A 10 5.572 -16.612 -6.992 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.210 -16.250 -6.397 1.00 25.00 H new ATOM 0 HD13 ILE A 10 5.870 -15.132 -6.050 1.00 25.00 H new ATOM 141 N CYS A 11 8.673 -11.424 -5.783 1.00 25.00 N ATOM 142 CA CYS A 11 9.663 -10.357 -5.531 1.00 25.00 C ATOM 143 C CYS A 11 11.004 -10.694 -6.166 1.00 25.00 C ATOM 144 O CYS A 11 11.364 -11.862 -6.221 1.00 25.00 O ATOM 145 CB CYS A 11 9.874 -10.188 -4.013 1.00 25.00 C ATOM 146 SG CYS A 11 8.338 -9.647 -3.176 1.00 25.00 S ATOM 0 H CYS A 11 8.501 -12.032 -4.983 1.00 25.00 H new ATOM 0 HA CYS A 11 9.279 -9.436 -5.969 1.00 25.00 H new ATOM 0 HB2 CYS A 11 10.210 -11.132 -3.584 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.663 -9.458 -3.834 1.00 25.00 H new ATOM 151 N SER A 12 11.757 -9.719 -6.651 1.00 25.00 N ATOM 152 CA SER A 12 13.055 -9.935 -7.268 1.00 25.00 C ATOM 153 C SER A 12 14.060 -9.120 -6.494 1.00 25.00 C ATOM 154 O SER A 12 13.813 -7.946 -6.172 1.00 25.00 O ATOM 155 CB SER A 12 12.987 -9.475 -8.730 1.00 25.00 C ATOM 156 OG SER A 12 12.167 -8.324 -8.921 1.00 25.00 O ATOM 0 H SER A 12 11.478 -8.738 -6.626 1.00 25.00 H new ATOM 0 HA SER A 12 13.343 -10.986 -7.252 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.995 -9.257 -9.082 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.604 -10.291 -9.343 1.00 25.00 H new ATOM 0 HG SER A 12 12.164 -8.078 -9.870 1.00 25.00 H new ATOM 162 N LEU A 13 15.185 -9.718 -6.175 1.00 25.00 N ATOM 163 CA LEU A 13 16.163 -9.038 -5.310 1.00 25.00 C ATOM 164 C LEU A 13 16.682 -7.759 -5.996 1.00 25.00 C ATOM 165 O LEU A 13 17.040 -6.802 -5.297 1.00 25.00 O ATOM 166 CB LEU A 13 17.330 -10.015 -4.956 1.00 25.00 C ATOM 167 CG LEU A 13 18.325 -10.405 -6.035 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.593 -9.614 -5.905 1.00 25.00 C ATOM 169 CD2 LEU A 13 18.608 -11.884 -6.022 1.00 25.00 C ATOM 0 H LEU A 13 15.456 -10.651 -6.485 1.00 25.00 H new ATOM 0 HA LEU A 13 15.679 -8.741 -4.380 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.893 -9.569 -4.136 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.884 -10.933 -4.574 1.00 25.00 H new ATOM 0 HG LEU A 13 17.873 -10.168 -6.998 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.289 -9.912 -6.689 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.370 -8.551 -6.002 1.00 25.00 H new ATOM 0 HD13 LEU A 13 20.042 -9.804 -4.930 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.324 -12.124 -6.808 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.023 -12.167 -5.054 1.00 25.00 H new ATOM 0 HD23 LEU A 13 17.682 -12.433 -6.194 1.00 25.00 H new ATOM 181 N TYR A 14 16.773 -7.786 -7.322 1.00 25.00 N ATOM 182 CA TYR A 14 17.236 -6.666 -8.111 1.00 25.00 C ATOM 183 C TYR A 14 16.425 -5.402 -7.740 1.00 25.00 C ATOM 184 O TYR A 14 16.980 -4.367 -7.356 1.00 25.00 O ATOM 185 CB TYR A 14 17.146 -7.027 -9.605 1.00 25.00 C ATOM 186 CG TYR A 14 17.777 -6.023 -10.557 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.168 -5.860 -10.642 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.965 -5.208 -11.379 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.725 -4.936 -11.582 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.521 -4.251 -12.280 1.00 25.00 C ATOM 191 CZ TYR A 14 18.926 -4.132 -12.375 1.00 25.00 C ATOM 192 OH TYR A 14 19.453 -3.237 -13.282 1.00 25.00 O ATOM 0 H TYR A 14 16.522 -8.602 -7.880 1.00 25.00 H new ATOM 0 HA TYR A 14 18.281 -6.444 -7.897 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.623 -7.995 -9.757 1.00 25.00 H new ATOM 0 HB3 TYR A 14 16.095 -7.144 -9.871 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.819 -6.432 -9.998 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.892 -5.313 -11.323 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.799 -4.864 -11.675 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.877 -3.626 -12.881 1.00 25.00 H new ATOM 0 HH TYR A 14 18.724 -2.769 -13.741 1.00 25.00 H new ATOM 202 N GLN A 15 15.076 -5.498 -7.816 1.00 25.00 N ATOM 203 CA GLN A 15 14.183 -4.408 -7.375 1.00 25.00 C ATOM 204 C GLN A 15 14.296 -4.180 -5.868 1.00 25.00 C ATOM 205 O GLN A 15 14.217 -3.044 -5.433 1.00 25.00 O ATOM 206 CB GLN A 15 12.785 -4.762 -7.791 1.00 25.00 C ATOM 207 CG GLN A 15 11.830 -3.588 -7.643 1.00 25.00 C ATOM 208 CD GLN A 15 10.457 -3.873 -8.283 1.00 25.00 C ATOM 209 OE1 GLN A 15 10.134 -4.980 -8.609 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.689 -2.842 -8.522 1.00 25.00 N ATOM 0 H GLN A 15 14.587 -6.317 -8.178 1.00 25.00 H new ATOM 0 HA GLN A 15 14.471 -3.467 -7.843 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.790 -5.097 -8.828 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.428 -5.597 -7.188 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.696 -3.361 -6.585 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.269 -2.704 -8.106 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.984 -1.909 -8.235 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.795 -2.971 -8.995 1.00 25.00 H new ATOM 219 N LEU A 16 14.402 -5.241 -5.062 1.00 25.00 N ATOM 220 CA LEU A 16 14.373 -5.054 -3.617 1.00 25.00 C ATOM 221 C LEU A 16 15.557 -4.221 -3.169 1.00 25.00 C ATOM 222 O LEU A 16 15.421 -3.322 -2.316 1.00 25.00 O ATOM 223 CB LEU A 16 14.400 -6.384 -2.922 1.00 25.00 C ATOM 224 CG LEU A 16 14.166 -6.323 -1.402 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.678 -5.906 -1.053 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.392 -7.725 -0.813 1.00 25.00 C ATOM 0 H LEU A 16 14.505 -6.206 -5.376 1.00 25.00 H new ATOM 0 HA LEU A 16 13.453 -4.532 -3.355 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.640 -7.026 -3.367 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.365 -6.856 -3.108 1.00 25.00 H new ATOM 0 HG LEU A 16 14.853 -5.584 -0.990 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.553 -5.874 0.029 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.468 -4.922 -1.471 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.987 -6.635 -1.477 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.230 -7.697 0.264 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.693 -8.428 -1.267 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.413 -8.045 -1.018 1.00 25.00 H new ATOM 238 N GLU A 17 16.726 -4.466 -3.744 1.00 25.00 N ATOM 239 CA GLU A 17 17.890 -3.710 -3.360 1.00 25.00 C ATOM 240 C GLU A 17 17.757 -2.233 -3.786 1.00 25.00 C ATOM 241 O GLU A 17 18.380 -1.352 -3.174 1.00 25.00 O ATOM 242 CB GLU A 17 19.159 -4.318 -3.979 1.00 25.00 C ATOM 243 CG GLU A 17 19.606 -5.589 -3.331 1.00 25.00 C ATOM 244 CD GLU A 17 20.874 -6.072 -3.929 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.960 -6.488 -5.050 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.876 -6.024 -3.137 1.00 25.00 O ATOM 0 H GLU A 17 16.884 -5.171 -4.464 1.00 25.00 H new ATOM 0 HA GLU A 17 17.969 -3.752 -2.274 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.980 -4.506 -5.038 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.966 -3.588 -3.917 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.742 -5.428 -2.262 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.834 -6.350 -3.443 1.00 25.00 H new ATOM 254 N ASN A 18 16.931 -1.945 -4.793 1.00 25.00 N ATOM 255 CA ASN A 18 16.776 -0.571 -5.258 1.00 25.00 C ATOM 256 C ASN A 18 16.006 0.263 -4.235 1.00 25.00 C ATOM 257 O ASN A 18 16.109 1.513 -4.293 1.00 25.00 O ATOM 258 CB ASN A 18 16.024 -0.503 -6.573 1.00 25.00 C ATOM 259 CG ASN A 18 16.773 0.343 -7.590 1.00 25.00 C ATOM 260 OD1 ASN A 18 16.310 1.385 -7.999 1.00 25.00 O ATOM 261 ND2 ASN A 18 17.887 -0.087 -8.018 1.00 25.00 N ATOM 0 H ASN A 18 16.369 -2.633 -5.293 1.00 25.00 H new ATOM 0 HA ASN A 18 17.782 -0.175 -5.394 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.882 -1.510 -6.967 1.00 25.00 H new ATOM 0 HB3 ASN A 18 15.032 -0.083 -6.407 1.00 25.00 H new ATOM 0 HD21 ASN A 18 18.405 0.446 -8.716 1.00 25.00 H new ATOM 0 HD22 ASN A 18 18.264 -0.966 -7.664 1.00 25.00 H new ATOM 268 N TYR A 19 15.301 -0.369 -3.272 1.00 25.00 N ATOM 269 CA TYR A 19 14.584 0.421 -2.248 1.00 25.00 C ATOM 270 C TYR A 19 15.615 0.974 -1.237 1.00 25.00 C ATOM 271 O TYR A 19 15.272 1.824 -0.443 1.00 25.00 O ATOM 272 CB TYR A 19 13.593 -0.468 -1.515 1.00 25.00 C ATOM 273 CG TYR A 19 12.367 -0.839 -2.293 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.176 -0.046 -2.265 1.00 25.00 C ATOM 275 CD2 TYR A 19 12.358 -2.004 -3.071 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.043 -0.408 -3.049 1.00 25.00 C ATOM 277 CE2 TYR A 19 11.244 -2.388 -3.826 1.00 25.00 C ATOM 278 CZ TYR A 19 10.094 -1.597 -3.794 1.00 25.00 C ATOM 279 OH TYR A 19 9.042 -2.037 -4.525 1.00 25.00 O ATOM 0 H TYR A 19 15.214 -1.381 -3.182 1.00 25.00 H new ATOM 0 HA TYR A 19 14.047 1.240 -2.725 1.00 25.00 H new ATOM 0 HB2 TYR A 19 14.104 -1.383 -1.215 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.283 0.038 -0.601 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.136 0.836 -1.643 1.00 25.00 H new ATOM 0 HD2 TYR A 19 13.240 -2.627 -3.089 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.164 0.219 -3.070 1.00 25.00 H new ATOM 0 HE2 TYR A 19 11.274 -3.285 -4.426 1.00 25.00 H new ATOM 0 HH TYR A 19 9.280 -2.878 -4.968 1.00 25.00 H new ATOM 289 N CYS A 20 16.842 0.449 -1.259 1.00 25.00 N ATOM 290 CA CYS A 20 17.916 0.878 -0.360 1.00 25.00 C ATOM 291 C CYS A 20 18.971 1.691 -1.102 1.00 25.00 C ATOM 292 O CYS A 20 19.349 2.802 -0.751 1.00 25.00 O ATOM 293 CB CYS A 20 18.577 -0.376 0.245 1.00 25.00 C ATOM 294 SG CYS A 20 20.045 -0.096 1.288 1.00 25.00 S ATOM 0 H CYS A 20 17.120 -0.290 -1.905 1.00 25.00 H new ATOM 0 HA CYS A 20 17.489 1.509 0.419 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.831 -0.902 0.840 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.860 -1.041 -0.571 1.00 25.00 H new ATOM 299 N ASN A 21 19.586 1.052 -2.125 1.00 25.00 N ATOM 300 CA ASN A 21 20.674 1.591 -2.936 1.00 25.00 C ATOM 301 C ASN A 21 20.097 2.336 -4.130 1.00 25.00 C ATOM 302 O ASN A 21 19.614 1.798 -5.105 1.00 25.00 O ATOM 303 CB ASN A 21 21.571 0.453 -3.449 1.00 25.00 C ATOM 304 CG ASN A 21 22.239 -0.277 -2.330 1.00 25.00 C ATOM 305 OD1 ASN A 21 21.810 -1.273 -1.862 1.00 25.00 O ATOM 306 ND2 ASN A 21 23.357 0.253 -1.828 1.00 25.00 N ATOM 307 OXT ASN A 21 20.228 3.649 -4.107 1.00 25.00 O ATOM 0 H ASN A 21 19.318 0.110 -2.409 1.00 25.00 H new ATOM 0 HA ASN A 21 21.265 2.269 -2.320 1.00 25.00 H new ATOM 0 HB2 ASN A 21 20.972 -0.246 -4.032 1.00 25.00 H new ATOM 0 HB3 ASN A 21 22.328 0.861 -4.119 1.00 25.00 H new ATOM 0 HD21 ASN A 21 23.832 -0.202 -1.048 1.00 25.00 H new ATOM 0 HD22 ASN A 21 23.736 1.113 -2.224 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.095 -15.381 -1.523 1.00 25.00 N ATOM 317 CA PHE B 31 17.698 -14.908 -1.656 1.00 25.00 C ATOM 318 C PHE B 31 16.813 -15.896 -2.425 1.00 25.00 C ATOM 319 O PHE B 31 17.277 -16.698 -3.181 1.00 25.00 O ATOM 320 CB PHE B 31 17.793 -13.559 -2.366 1.00 25.00 C ATOM 321 CG PHE B 31 16.470 -12.966 -2.561 1.00 25.00 C ATOM 322 CD1 PHE B 31 15.967 -12.135 -1.561 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.772 -13.178 -3.741 1.00 25.00 C ATOM 324 CE1 PHE B 31 14.720 -11.524 -1.760 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.519 -12.573 -3.920 1.00 25.00 C ATOM 326 CZ PHE B 31 14.020 -11.707 -2.932 1.00 25.00 C ATOM 0 HA PHE B 31 17.221 -14.818 -0.680 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.415 -12.881 -1.781 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.282 -13.688 -3.332 1.00 25.00 H new ATOM 0 HD1 PHE B 31 16.526 -11.965 -0.652 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.190 -13.804 -4.516 1.00 25.00 H new ATOM 0 HE1 PHE B 31 14.303 -10.901 -0.983 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.942 -12.771 -4.811 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.088 -11.185 -3.092 1.00 25.00 H new ATOM 337 N VAL B 32 15.564 -15.911 -2.111 1.00 25.00 N ATOM 338 CA VAL B 32 14.589 -16.867 -2.651 1.00 25.00 C ATOM 339 C VAL B 32 13.487 -16.104 -3.334 1.00 25.00 C ATOM 340 O VAL B 32 13.041 -15.043 -2.864 1.00 25.00 O ATOM 341 CB VAL B 32 14.020 -17.803 -1.561 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.062 -18.807 -1.118 1.00 25.00 C ATOM 343 CG2 VAL B 32 13.505 -16.995 -0.329 1.00 25.00 C ATOM 0 H VAL B 32 15.154 -15.248 -1.453 1.00 25.00 H new ATOM 0 HA VAL B 32 15.097 -17.509 -3.371 1.00 25.00 H new ATOM 0 HB VAL B 32 13.176 -18.337 -1.998 1.00 25.00 H new ATOM 0 HG11 VAL B 32 14.639 -19.455 -0.350 1.00 25.00 H new ATOM 0 HG12 VAL B 32 15.373 -19.410 -1.971 1.00 25.00 H new ATOM 0 HG13 VAL B 32 15.926 -18.280 -0.713 1.00 25.00 H new ATOM 0 HG21 VAL B 32 13.111 -17.683 0.419 1.00 25.00 H new ATOM 0 HG22 VAL B 32 14.328 -16.424 0.101 1.00 25.00 H new ATOM 0 HG23 VAL B 32 12.716 -16.313 -0.645 1.00 25.00 H new ATOM 353 N ASN B 33 13.051 -16.639 -4.465 1.00 25.00 N ATOM 354 CA ASN B 33 12.020 -16.001 -5.317 1.00 25.00 C ATOM 355 C ASN B 33 10.666 -16.450 -4.798 1.00 25.00 C ATOM 356 O ASN B 33 10.190 -17.528 -5.080 1.00 25.00 O ATOM 357 CB ASN B 33 12.216 -16.391 -6.821 1.00 25.00 C ATOM 358 CG ASN B 33 13.066 -15.375 -7.558 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.026 -14.822 -6.982 1.00 25.00 O ATOM 360 ND2 ASN B 33 12.785 -15.164 -8.850 1.00 25.00 N ATOM 0 H ASN B 33 13.393 -17.528 -4.831 1.00 25.00 H new ATOM 0 HA ASN B 33 12.099 -14.915 -5.269 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.686 -17.373 -6.884 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.243 -16.472 -7.306 1.00 25.00 H new ATOM 0 HD21 ASN B 33 13.365 -14.531 -9.401 1.00 25.00 H new ATOM 0 HD22 ASN B 33 11.991 -15.636 -9.283 1.00 25.00 H new ATOM 367 N GLN B 34 10.073 -15.588 -3.979 1.00 25.00 N ATOM 368 CA GLN B 34 8.777 -15.831 -3.348 1.00 25.00 C ATOM 369 C GLN B 34 8.112 -14.472 -3.112 1.00 25.00 C ATOM 370 O GLN B 34 8.677 -13.423 -3.301 1.00 25.00 O ATOM 371 CB GLN B 34 8.951 -16.582 -2.021 1.00 25.00 C ATOM 372 CG GLN B 34 9.802 -15.827 -0.985 1.00 25.00 C ATOM 373 CD GLN B 34 9.607 -16.365 0.435 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.198 -17.371 0.808 1.00 25.00 O ATOM 375 NE2 GLN B 34 8.822 -15.703 1.232 1.00 25.00 N ATOM 0 H GLN B 34 10.483 -14.688 -3.730 1.00 25.00 H new ATOM 0 HA GLN B 34 8.155 -16.451 -3.993 1.00 25.00 H new ATOM 0 HB2 GLN B 34 7.967 -16.779 -1.595 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.412 -17.549 -2.220 1.00 25.00 H new ATOM 0 HG2 GLN B 34 10.854 -15.904 -1.258 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.543 -14.768 -1.008 1.00 25.00 H new ATOM 0 HE21 GLN B 34 8.341 -14.868 0.897 1.00 25.00 H new ATOM 0 HE22 GLN B 34 8.687 -16.018 2.193 1.00 25.00 H new ATOM 384 N HIS B 35 6.872 -14.538 -2.629 1.00 25.00 N ATOM 385 CA HIS B 35 6.142 -13.335 -2.215 1.00 25.00 C ATOM 386 C HIS B 35 6.736 -12.931 -0.876 1.00 25.00 C ATOM 387 O HIS B 35 7.144 -13.821 -0.081 1.00 25.00 O ATOM 388 CB HIS B 35 4.658 -13.611 -2.053 1.00 25.00 C ATOM 389 CG HIS B 35 4.054 -14.457 -3.152 1.00 25.00 C ATOM 390 ND1 HIS B 35 3.998 -14.047 -4.473 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.416 -15.670 -3.140 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.385 -14.976 -5.188 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.054 -15.964 -4.408 1.00 25.00 N ATOM 0 H HIS B 35 6.351 -15.407 -2.514 1.00 25.00 H new ATOM 0 HA HIS B 35 6.237 -12.551 -2.966 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.496 -14.110 -1.097 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.127 -12.660 -2.010 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.370 -13.170 -4.837 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.235 -16.283 -2.270 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.190 -14.923 -6.249 1.00 25.00 H new ATOM 402 N LEU B 36 6.783 -11.638 -0.616 1.00 25.00 N ATOM 403 CA LEU B 36 7.309 -11.160 0.648 1.00 25.00 C ATOM 404 C LEU B 36 6.225 -10.289 1.312 1.00 25.00 C ATOM 405 O LEU B 36 5.693 -9.372 0.714 1.00 25.00 O ATOM 406 CB LEU B 36 8.623 -10.406 0.468 1.00 25.00 C ATOM 407 CG LEU B 36 9.867 -11.248 0.088 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.045 -10.381 -0.308 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.263 -12.202 1.187 1.00 25.00 C ATOM 0 H LEU B 36 6.468 -10.908 -1.255 1.00 25.00 H new ATOM 0 HA LEU B 36 7.546 -12.005 1.295 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.477 -9.649 -0.303 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.841 -9.878 1.396 1.00 25.00 H new ATOM 0 HG LEU B 36 9.578 -11.838 -0.782 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.893 -11.015 -0.566 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.774 -9.770 -1.169 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.316 -9.733 0.526 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.139 -12.771 0.877 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.497 -11.639 2.091 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.439 -12.886 1.389 1.00 25.00 H new ATOM 421 N CYS B 37 5.879 -10.634 2.551 1.00 25.00 N ATOM 422 CA CYS B 37 4.837 -9.959 3.269 1.00 25.00 C ATOM 423 C CYS B 37 5.113 -10.157 4.776 1.00 25.00 C ATOM 424 O CYS B 37 5.933 -11.007 5.141 1.00 25.00 O ATOM 425 CB CYS B 37 3.490 -10.576 2.890 1.00 25.00 C ATOM 426 SG CYS B 37 2.157 -9.332 2.856 1.00 25.00 S ATOM 0 H CYS B 37 6.322 -11.391 3.072 1.00 25.00 H new ATOM 0 HA CYS B 37 4.811 -8.896 3.028 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.570 -11.049 1.911 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.236 -11.360 3.603 1.00 25.00 H new ATOM 431 N GLY B 38 4.427 -9.399 5.628 1.00 25.00 N ATOM 432 CA GLY B 38 4.599 -9.552 7.054 1.00 25.00 C ATOM 433 C GLY B 38 6.031 -9.211 7.416 1.00 25.00 C ATOM 434 O GLY B 38 6.640 -8.398 6.758 1.00 25.00 O ATOM 0 H GLY B 38 3.756 -8.682 5.351 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.909 -8.899 7.589 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.368 -10.574 7.354 1.00 25.00 H new ATOM 438 N SER B 39 6.524 -9.842 8.464 1.00 25.00 N ATOM 439 CA SER B 39 7.885 -9.612 8.947 1.00 25.00 C ATOM 440 C SER B 39 8.956 -10.022 7.914 1.00 25.00 C ATOM 441 O SER B 39 9.986 -9.400 7.789 1.00 25.00 O ATOM 442 CB SER B 39 8.131 -10.379 10.232 1.00 25.00 C ATOM 443 OG SER B 39 7.076 -10.140 11.118 1.00 25.00 O ATOM 0 H SER B 39 6.000 -10.528 9.008 1.00 25.00 H new ATOM 0 HA SER B 39 7.971 -8.540 9.123 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.212 -11.446 10.023 1.00 25.00 H new ATOM 0 HB3 SER B 39 9.075 -10.069 10.680 1.00 25.00 H new ATOM 0 HG SER B 39 7.229 -10.635 11.950 1.00 25.00 H new ATOM 449 N HIS B 40 8.693 -11.098 7.156 1.00 25.00 N ATOM 450 CA HIS B 40 9.671 -11.607 6.220 1.00 25.00 C ATOM 451 C HIS B 40 10.086 -10.572 5.148 1.00 25.00 C ATOM 452 O HIS B 40 11.253 -10.568 4.781 1.00 25.00 O ATOM 453 CB HIS B 40 9.208 -12.926 5.598 1.00 25.00 C ATOM 454 CG HIS B 40 9.926 -14.120 6.164 1.00 25.00 C ATOM 455 ND1 HIS B 40 11.220 -14.478 5.804 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.574 -15.044 7.107 1.00 25.00 C ATOM 457 CE1 HIS B 40 11.606 -15.580 6.486 1.00 25.00 C ATOM 458 NE2 HIS B 40 10.616 -15.926 7.282 1.00 25.00 N ATOM 0 H HIS B 40 7.816 -11.619 7.182 1.00 25.00 H new ATOM 0 HA HIS B 40 10.575 -11.809 6.795 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.136 -13.042 5.759 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.366 -12.890 4.520 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.630 -15.077 7.631 1.00 25.00 H new ATOM 0 HE1 HIS B 40 12.556 -16.086 6.394 1.00 25.00 H new ATOM 0 HE2 HIS B 40 10.621 -16.719 7.924 1.00 25.00 H new ATOM 467 N LEU B 41 9.155 -9.720 4.685 1.00 25.00 N ATOM 468 CA LEU B 41 9.496 -8.592 3.784 1.00 25.00 C ATOM 469 C LEU B 41 10.547 -7.680 4.389 1.00 25.00 C ATOM 470 O LEU B 41 11.545 -7.346 3.756 1.00 25.00 O ATOM 471 CB LEU B 41 8.278 -7.755 3.417 1.00 25.00 C ATOM 472 CG LEU B 41 8.447 -6.479 2.543 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.269 -6.720 1.266 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.079 -5.929 2.146 1.00 25.00 C ATOM 0 H LEU B 41 8.163 -9.786 4.915 1.00 25.00 H new ATOM 0 HA LEU B 41 9.894 -9.053 2.880 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.577 -8.411 2.901 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.802 -7.449 4.349 1.00 25.00 H new ATOM 0 HG LEU B 41 8.993 -5.763 3.157 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.348 -5.790 0.703 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.267 -7.067 1.535 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.776 -7.474 0.653 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.209 -5.036 1.535 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.535 -6.683 1.576 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.515 -5.675 3.043 1.00 25.00 H new ATOM 486 N VAL B 42 10.307 -7.190 5.638 1.00 25.00 N ATOM 487 CA VAL B 42 11.203 -6.147 6.214 1.00 25.00 C ATOM 488 C VAL B 42 12.517 -6.777 6.665 1.00 25.00 C ATOM 489 O VAL B 42 13.588 -6.103 6.706 1.00 25.00 O ATOM 490 CB VAL B 42 10.529 -5.370 7.414 1.00 25.00 C ATOM 491 CG1 VAL B 42 10.264 -6.285 8.674 1.00 25.00 C ATOM 492 CG2 VAL B 42 11.364 -4.147 7.865 1.00 25.00 C ATOM 0 H VAL B 42 9.538 -7.483 6.241 1.00 25.00 H new ATOM 0 HA VAL B 42 11.398 -5.417 5.428 1.00 25.00 H new ATOM 0 HB VAL B 42 9.571 -5.033 7.018 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.800 -5.693 9.463 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.600 -7.103 8.396 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.209 -6.691 9.034 1.00 25.00 H new ATOM 0 HG21 VAL B 42 10.859 -3.647 8.691 1.00 25.00 H new ATOM 0 HG22 VAL B 42 12.350 -4.479 8.190 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.472 -3.453 7.032 1.00 25.00 H new ATOM 502 N GLU B 43 12.461 -8.077 6.914 1.00 25.00 N ATOM 503 CA GLU B 43 13.650 -8.796 7.280 1.00 25.00 C ATOM 504 C GLU B 43 14.544 -9.046 6.056 1.00 25.00 C ATOM 505 O GLU B 43 15.723 -8.945 6.124 1.00 25.00 O ATOM 506 CB GLU B 43 13.298 -10.112 7.921 1.00 25.00 C ATOM 507 CG GLU B 43 14.495 -10.948 8.339 1.00 25.00 C ATOM 508 CD GLU B 43 14.096 -12.315 8.820 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.969 -12.721 8.758 1.00 25.00 O ATOM 510 OE2 GLU B 43 15.092 -13.047 9.233 1.00 25.00 O ATOM 0 H GLU B 43 11.612 -8.641 6.868 1.00 25.00 H new ATOM 0 HA GLU B 43 14.198 -8.183 7.995 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.680 -9.921 8.798 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.692 -10.691 7.224 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.178 -11.047 7.496 1.00 25.00 H new ATOM 0 HG3 GLU B 43 15.038 -10.431 9.130 1.00 25.00 H new ATOM 518 N ALA B 44 13.942 -9.375 4.936 1.00 25.00 N ATOM 519 CA ALA B 44 14.693 -9.484 3.692 1.00 25.00 C ATOM 520 C ALA B 44 15.265 -8.155 3.262 1.00 25.00 C ATOM 521 O ALA B 44 16.416 -8.093 2.802 1.00 25.00 O ATOM 522 CB ALA B 44 13.751 -10.032 2.574 1.00 25.00 C ATOM 0 H ALA B 44 12.945 -9.571 4.853 1.00 25.00 H new ATOM 0 HA ALA B 44 15.527 -10.166 3.858 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.306 -10.116 1.640 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.376 -11.014 2.863 1.00 25.00 H new ATOM 0 HB3 ALA B 44 12.913 -9.349 2.438 1.00 25.00 H new ATOM 528 N LEU B 45 14.471 -7.106 3.422 1.00 25.00 N ATOM 529 CA LEU B 45 14.948 -5.777 3.110 1.00 25.00 C ATOM 530 C LEU B 45 16.126 -5.373 4.019 1.00 25.00 C ATOM 531 O LEU B 45 17.115 -4.830 3.534 1.00 25.00 O ATOM 532 CB LEU B 45 13.799 -4.765 3.198 1.00 25.00 C ATOM 533 CG LEU B 45 14.082 -3.327 2.702 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.368 -3.266 1.182 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.978 -2.382 3.028 1.00 25.00 C ATOM 0 H LEU B 45 13.510 -7.152 3.761 1.00 25.00 H new ATOM 0 HA LEU B 45 15.322 -5.780 2.086 1.00 25.00 H new ATOM 0 HB2 LEU B 45 12.958 -5.159 2.628 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.480 -4.706 4.239 1.00 25.00 H new ATOM 0 HG LEU B 45 14.979 -3.017 3.239 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.560 -2.234 0.889 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.241 -3.877 0.951 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.505 -3.645 0.634 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.229 -1.388 2.657 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.056 -2.723 2.557 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.840 -2.342 4.109 1.00 25.00 H new ATOM 547 N TYR B 46 16.046 -5.705 5.301 1.00 25.00 N ATOM 548 CA TYR B 46 17.146 -5.421 6.210 1.00 25.00 C ATOM 549 C TYR B 46 18.374 -6.220 5.834 1.00 25.00 C ATOM 550 O TYR B 46 19.489 -5.661 5.929 1.00 25.00 O ATOM 551 CB TYR B 46 16.790 -5.676 7.680 1.00 25.00 C ATOM 552 CG TYR B 46 18.016 -5.559 8.591 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.470 -4.309 9.048 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.744 -6.718 9.009 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.584 -4.211 9.889 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.843 -6.622 9.890 1.00 25.00 C ATOM 557 CZ TYR B 46 20.244 -5.348 10.308 1.00 25.00 C ATOM 558 OH TYR B 46 21.308 -5.182 11.143 1.00 25.00 O ATOM 0 H TYR B 46 15.243 -6.165 5.729 1.00 25.00 H new ATOM 0 HA TYR B 46 17.357 -4.356 6.108 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.031 -4.962 7.999 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.355 -6.670 7.781 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.951 -3.411 8.745 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.446 -7.689 8.642 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.929 -3.240 10.212 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.360 -7.507 10.232 1.00 25.00 H new ATOM 0 HH TYR B 46 21.687 -6.057 11.368 1.00 25.00 H new ATOM 568 N LEU B 47 18.221 -7.478 5.454 1.00 25.00 N ATOM 569 CA LEU B 47 19.391 -8.294 5.041 1.00 25.00 C ATOM 570 C LEU B 47 20.089 -7.690 3.813 1.00 25.00 C ATOM 571 O LEU B 47 21.304 -7.625 3.775 1.00 25.00 O ATOM 572 CB LEU B 47 18.999 -9.754 4.765 1.00 25.00 C ATOM 573 CG LEU B 47 18.711 -10.654 5.984 1.00 25.00 C ATOM 574 CD1 LEU B 47 18.037 -11.991 5.585 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.942 -10.960 6.835 1.00 25.00 C ATOM 0 H LEU B 47 17.325 -7.964 5.417 1.00 25.00 H new ATOM 0 HA LEU B 47 20.092 -8.285 5.876 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.112 -9.751 4.132 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.801 -10.215 4.188 1.00 25.00 H new ATOM 0 HG LEU B 47 18.024 -10.063 6.589 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.856 -12.588 6.479 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.089 -11.786 5.087 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.691 -12.541 4.908 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.657 -11.598 7.672 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.687 -11.472 6.226 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.362 -10.029 7.215 1.00 25.00 H new ATOM 587 N VAL B 48 19.311 -7.254 2.815 1.00 25.00 N ATOM 588 CA VAL B 48 19.967 -6.726 1.644 1.00 25.00 C ATOM 589 C VAL B 48 20.520 -5.298 1.804 1.00 25.00 C ATOM 590 O VAL B 48 21.428 -4.928 1.112 1.00 25.00 O ATOM 591 CB VAL B 48 19.068 -6.767 0.419 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.726 -8.210 0.059 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.817 -5.900 0.602 1.00 25.00 C ATOM 0 H VAL B 48 18.291 -7.258 2.801 1.00 25.00 H new ATOM 0 HA VAL B 48 20.821 -7.390 1.507 1.00 25.00 H new ATOM 0 HB VAL B 48 19.614 -6.337 -0.420 1.00 25.00 H new ATOM 0 HG11 VAL B 48 18.082 -8.223 -0.820 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.643 -8.759 -0.155 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.209 -8.681 0.895 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.201 -5.956 -0.295 1.00 25.00 H new ATOM 0 HG22 VAL B 48 17.246 -6.261 1.457 1.00 25.00 H new ATOM 0 HG23 VAL B 48 18.113 -4.865 0.774 1.00 25.00 H new ATOM 603 N CYS B 49 19.996 -4.524 2.738 1.00 25.00 N ATOM 604 CA CYS B 49 20.389 -3.128 2.929 1.00 25.00 C ATOM 605 C CYS B 49 21.476 -2.937 4.020 1.00 25.00 C ATOM 606 O CYS B 49 22.439 -2.203 3.833 1.00 25.00 O ATOM 607 CB CYS B 49 19.139 -2.272 3.189 1.00 25.00 C ATOM 608 SG CYS B 49 19.387 -0.480 3.152 1.00 25.00 S ATOM 0 H CYS B 49 19.281 -4.843 3.392 1.00 25.00 H new ATOM 0 HA CYS B 49 20.863 -2.787 2.008 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.384 -2.530 2.446 1.00 25.00 H new ATOM 0 HB3 CYS B 49 18.733 -2.543 4.163 1.00 25.00 H new ATOM 613 N GLY B 50 21.336 -3.595 5.185 1.00 25.00 N ATOM 614 CA GLY B 50 22.361 -3.504 6.209 1.00 25.00 C ATOM 615 C GLY B 50 22.262 -2.245 7.096 1.00 25.00 C ATOM 616 O GLY B 50 23.001 -2.082 8.060 1.00 25.00 O ATOM 0 H GLY B 50 20.537 -4.181 5.427 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.303 -4.388 6.845 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.340 -3.520 5.729 1.00 25.00 H new ATOM 620 N GLU B 51 21.313 -1.357 6.792 1.00 25.00 N ATOM 621 CA GLU B 51 21.125 -0.126 7.552 1.00 25.00 C ATOM 622 C GLU B 51 20.496 -0.389 8.884 1.00 25.00 C ATOM 623 O GLU B 51 19.545 -1.140 8.970 1.00 25.00 O ATOM 624 CB GLU B 51 20.284 0.864 6.732 1.00 25.00 C ATOM 625 CG GLU B 51 21.103 2.071 6.309 1.00 25.00 C ATOM 626 CD GLU B 51 22.219 1.708 5.401 1.00 25.00 C ATOM 627 OE1 GLU B 51 22.070 1.191 4.352 1.00 25.00 O ATOM 628 OE2 GLU B 51 23.390 1.927 5.918 1.00 25.00 O ATOM 0 H GLU B 51 20.659 -1.472 6.018 1.00 25.00 H new ATOM 0 HA GLU B 51 22.104 0.312 7.744 1.00 25.00 H new ATOM 0 HB2 GLU B 51 19.889 0.363 5.848 1.00 25.00 H new ATOM 0 HB3 GLU B 51 19.428 1.192 7.322 1.00 25.00 H new ATOM 0 HG2 GLU B 51 20.453 2.791 5.812 1.00 25.00 H new ATOM 0 HG3 GLU B 51 21.505 2.563 7.195 1.00 25.00 H new ATOM 636 N GLN B 52 21.037 0.170 9.937 1.00 25.00 N ATOM 637 CA GLN B 52 20.551 -0.072 11.303 1.00 25.00 C ATOM 638 C GLN B 52 19.370 0.824 11.622 1.00 25.00 C ATOM 639 O GLN B 52 18.654 0.614 12.569 1.00 25.00 O ATOM 640 CB GLN B 52 21.666 0.198 12.347 1.00 25.00 C ATOM 641 CG GLN B 52 22.134 1.628 12.399 1.00 25.00 C ATOM 642 CD GLN B 52 23.253 1.831 13.454 1.00 25.00 C ATOM 643 OE1 GLN B 52 23.293 1.199 14.459 1.00 25.00 O ATOM 644 NE2 GLN B 52 24.114 2.765 13.222 1.00 25.00 N ATOM 0 H GLN B 52 21.830 0.810 9.888 1.00 25.00 H new ATOM 0 HA GLN B 52 20.247 -1.117 11.355 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.301 -0.088 13.333 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.519 -0.443 12.124 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.502 1.926 11.417 1.00 25.00 H new ATOM 0 HG3 GLN B 52 21.291 2.278 12.634 1.00 25.00 H new ATOM 0 HE21 GLN B 52 24.066 3.299 12.354 1.00 25.00 H new ATOM 0 HE22 GLN B 52 24.842 2.969 13.907 1.00 25.00 H new ATOM 653 N GLY B 53 19.139 1.833 10.783 1.00 25.00 N ATOM 654 CA GLY B 53 18.044 2.747 10.993 1.00 25.00 C ATOM 655 C GLY B 53 16.714 2.324 10.377 1.00 25.00 C ATOM 656 O GLY B 53 16.035 3.108 9.759 1.00 25.00 O ATOM 0 H GLY B 53 19.702 2.029 9.955 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.903 2.879 12.066 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.321 3.720 10.586 1.00 25.00 H new ATOM 660 N PHE B 54 16.362 1.058 10.487 1.00 25.00 N ATOM 661 CA PHE B 54 15.101 0.546 9.938 1.00 25.00 C ATOM 662 C PHE B 54 13.930 0.906 10.828 1.00 25.00 C ATOM 663 O PHE B 54 12.967 1.528 10.403 1.00 25.00 O ATOM 664 CB PHE B 54 15.228 -0.973 9.751 1.00 25.00 C ATOM 665 CG PHE B 54 15.592 -1.384 8.364 1.00 25.00 C ATOM 666 CD1 PHE B 54 16.729 -0.884 7.746 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.697 -2.195 7.624 1.00 25.00 C ATOM 668 CE1 PHE B 54 17.016 -1.169 6.378 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.964 -2.528 6.275 1.00 25.00 C ATOM 670 CZ PHE B 54 16.126 -2.011 5.652 1.00 25.00 C ATOM 0 H PHE B 54 16.931 0.352 10.954 1.00 25.00 H new ATOM 0 HA PHE B 54 14.907 1.009 8.971 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.982 -1.352 10.441 1.00 25.00 H new ATOM 0 HB3 PHE B 54 14.282 -1.443 10.022 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.411 -0.266 8.312 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.798 -2.564 8.096 1.00 25.00 H new ATOM 0 HE1 PHE B 54 17.892 -0.754 5.902 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.289 -3.169 5.727 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.338 -2.256 4.622 1.00 25.00 H new ATOM 680 N PHE B 55 14.014 0.496 12.097 1.00 25.00 N ATOM 681 CA PHE B 55 12.917 0.708 13.032 1.00 25.00 C ATOM 682 C PHE B 55 13.380 0.978 14.449 1.00 25.00 C ATOM 683 O PHE B 55 12.760 0.562 15.405 1.00 25.00 O ATOM 684 CB PHE B 55 12.026 -0.509 12.981 1.00 25.00 C ATOM 685 CG PHE B 55 10.576 -0.166 12.974 1.00 25.00 C ATOM 686 CD1 PHE B 55 9.990 0.258 11.787 1.00 25.00 C ATOM 687 CD2 PHE B 55 9.824 -0.250 14.145 1.00 25.00 C ATOM 688 CE1 PHE B 55 8.601 0.581 11.784 1.00 25.00 C ATOM 689 CE2 PHE B 55 8.435 0.116 14.175 1.00 25.00 C ATOM 690 CZ PHE B 55 7.825 0.503 12.992 1.00 25.00 C ATOM 0 H PHE B 55 14.824 0.020 12.493 1.00 25.00 H new ATOM 0 HA PHE B 55 12.375 1.604 12.731 1.00 25.00 H new ATOM 0 HB2 PHE B 55 12.261 -1.088 12.088 1.00 25.00 H new ATOM 0 HB3 PHE B 55 12.239 -1.146 13.840 1.00 25.00 H new ATOM 0 HD1 PHE B 55 10.576 0.341 10.884 1.00 25.00 H new ATOM 0 HD2 PHE B 55 10.297 -0.599 15.051 1.00 25.00 H new ATOM 0 HE1 PHE B 55 8.126 0.888 10.864 1.00 25.00 H new ATOM 0 HE2 PHE B 55 7.878 0.090 15.100 1.00 25.00 H new ATOM 0 HZ PHE B 55 6.772 0.745 12.978 1.00 25.00 H new ATOM 700 N TYR B 56 14.507 1.652 14.523 1.00 25.00 N ATOM 701 CA TYR B 56 15.238 2.013 15.781 1.00 25.00 C ATOM 702 C TYR B 56 15.804 0.823 16.552 1.00 25.00 C ATOM 703 O TYR B 56 15.100 -0.012 17.004 1.00 25.00 O ATOM 704 CB TYR B 56 14.399 2.915 16.690 1.00 25.00 C ATOM 705 CG TYR B 56 15.131 3.426 17.904 1.00 25.00 C ATOM 706 CD1 TYR B 56 15.883 4.597 17.856 1.00 25.00 C ATOM 707 CD2 TYR B 56 15.072 2.725 19.113 1.00 25.00 C ATOM 708 CE1 TYR B 56 16.651 5.055 18.987 1.00 25.00 C ATOM 709 CE2 TYR B 56 15.823 3.181 20.259 1.00 25.00 C ATOM 710 CZ TYR B 56 16.587 4.319 20.180 1.00 25.00 C ATOM 711 OH TYR B 56 17.280 4.746 21.293 1.00 25.00 O ATOM 0 H TYR B 56 14.984 1.992 13.688 1.00 25.00 H new ATOM 0 HA TYR B 56 16.107 2.576 15.442 1.00 25.00 H new ATOM 0 HB2 TYR B 56 14.044 3.766 16.109 1.00 25.00 H new ATOM 0 HB3 TYR B 56 13.518 2.363 17.017 1.00 25.00 H new ATOM 0 HD1 TYR B 56 15.891 5.179 16.946 1.00 25.00 H new ATOM 0 HD2 TYR B 56 14.461 1.838 19.190 1.00 25.00 H new ATOM 0 HE1 TYR B 56 17.261 5.943 18.918 1.00 25.00 H new ATOM 0 HE2 TYR B 56 15.783 2.624 21.183 1.00 25.00 H new ATOM 0 HH TYR B 56 17.126 4.123 22.033 1.00 25.00 H new ATOM 721 N THR B 57 17.127 0.821 16.746 1.00 25.00 N ATOM 722 CA THR B 57 17.760 -0.210 17.564 1.00 25.00 C ATOM 723 C THR B 57 18.868 0.453 18.412 1.00 25.00 C ATOM 724 O THR B 57 19.574 1.342 17.900 1.00 25.00 O ATOM 725 CB THR B 57 18.306 -1.410 16.727 1.00 25.00 C ATOM 726 OG1 THR B 57 18.708 -2.477 17.614 1.00 25.00 O ATOM 727 CG2 THR B 57 19.500 -1.042 15.889 1.00 25.00 C ATOM 0 H THR B 57 17.768 1.511 16.354 1.00 25.00 H new ATOM 0 HA THR B 57 17.004 -0.647 18.217 1.00 25.00 H new ATOM 0 HB THR B 57 17.498 -1.717 16.063 1.00 25.00 H new ATOM 0 HG1 THR B 57 19.049 -3.230 17.087 1.00 25.00 H new ATOM 0 HG21 THR B 57 19.835 -1.916 15.330 1.00 25.00 H new ATOM 0 HG22 THR B 57 19.226 -0.249 15.193 1.00 25.00 H new ATOM 0 HG23 THR B 57 20.305 -0.694 16.536 1.00 25.00 H new ATOM 735 N PRO B 58 18.924 0.111 19.705 1.00 25.00 N ATOM 736 CA PRO B 58 20.011 0.708 20.496 1.00 25.00 C ATOM 737 C PRO B 58 21.354 0.228 20.007 1.00 25.00 C ATOM 738 O PRO B 58 21.463 -0.824 19.431 1.00 25.00 O ATOM 739 CB PRO B 58 19.705 0.246 21.909 1.00 25.00 C ATOM 740 CG PRO B 58 18.913 -0.990 21.778 1.00 25.00 C ATOM 741 CD PRO B 58 18.136 -0.829 20.484 1.00 25.00 C ATOM 0 HA PRO B 58 20.064 1.794 20.423 1.00 25.00 H new ATOM 0 HB2 PRO B 58 20.624 0.062 22.465 1.00 25.00 H new ATOM 0 HB3 PRO B 58 19.149 1.008 22.455 1.00 25.00 H new ATOM 0 HG2 PRO B 58 19.557 -1.869 21.744 1.00 25.00 H new ATOM 0 HG3 PRO B 58 18.242 -1.120 22.627 1.00 25.00 H new ATOM 0 HD2 PRO B 58 18.026 -1.781 19.965 1.00 25.00 H new ATOM 0 HD3 PRO B 58 17.131 -0.449 20.668 1.00 25.00 H new ATOM 749 N LYS B 59 22.361 1.062 20.213 1.00 25.00 N ATOM 750 CA LYS B 59 23.705 0.759 19.731 1.00 25.00 C ATOM 751 C LYS B 59 24.203 -0.612 20.193 1.00 25.00 C ATOM 752 O LYS B 59 24.788 -1.354 19.404 1.00 25.00 O ATOM 753 CB LYS B 59 24.711 1.851 20.115 1.00 25.00 C ATOM 754 CG LYS B 59 25.959 1.854 19.219 1.00 25.00 C ATOM 755 CD LYS B 59 26.902 3.063 19.473 1.00 25.00 C ATOM 756 CE LYS B 59 27.889 3.257 18.324 1.00 25.00 C ATOM 757 NZ LYS B 59 28.955 2.201 18.330 1.00 25.00 N ATOM 0 H LYS B 59 22.277 1.950 20.708 1.00 25.00 H new ATOM 0 HA LYS B 59 23.630 0.730 18.644 1.00 25.00 H new ATOM 0 HB2 LYS B 59 24.224 2.824 20.055 1.00 25.00 H new ATOM 0 HB3 LYS B 59 25.015 1.710 21.152 1.00 25.00 H new ATOM 0 HG2 LYS B 59 26.514 0.930 19.380 1.00 25.00 H new ATOM 0 HG3 LYS B 59 25.647 1.860 18.175 1.00 25.00 H new ATOM 0 HD2 LYS B 59 26.308 3.968 19.600 1.00 25.00 H new ATOM 0 HD3 LYS B 59 27.450 2.909 20.402 1.00 25.00 H new ATOM 0 HE2 LYS B 59 27.354 3.230 17.375 1.00 25.00 H new ATOM 0 HE3 LYS B 59 28.350 4.242 18.402 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 29.608 2.363 17.537 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 29.481 2.244 19.226 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 28.516 1.264 18.231 1.00 25.00 H new ATOM 771 N THR B 60 23.986 -0.921 21.476 1.00 25.00 N ATOM 772 CA THR B 60 24.466 -2.237 22.067 1.00 25.00 C ATOM 773 C THR B 60 23.359 -3.249 22.053 1.00 25.00 C ATOM 774 O THR B 60 22.255 -3.098 22.509 1.00 25.00 O ATOM 775 CB THR B 60 25.035 -2.083 23.493 1.00 25.00 C ATOM 776 OG1 THR B 60 25.770 -0.881 23.509 1.00 25.00 O ATOM 777 CG2 THR B 60 25.906 -3.261 23.845 1.00 25.00 C ATOM 778 OXT THR B 60 23.728 -4.377 21.527 1.00 25.00 O ATOM 0 H THR B 60 23.497 -0.315 22.135 1.00 25.00 H new ATOM 0 HA THR B 60 25.285 -2.585 21.438 1.00 25.00 H new ATOM 0 HB THR B 60 24.237 -2.052 24.235 1.00 25.00 H new ATOM 0 HG1 THR B 60 26.150 -0.742 24.402 1.00 25.00 H new ATOM 0 HG21 THR B 60 26.298 -3.135 24.854 1.00 25.00 H new ATOM 0 HG22 THR B 60 25.317 -4.177 23.797 1.00 25.00 H new ATOM 0 HG23 THR B 60 26.734 -3.325 23.139 1.00 25.00 H new TER 787 THR B 60