USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=14 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 Set 1.1: B 34 GLN : amide:sc= 0.166 K(o=0.25,f=-0.67) USER MOD Set 1.2: B 40 HIS : no HE2:sc= 0.0799 K(o=0.25,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.00323 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-5.82e-05 X(o=-5.8e-05,f=-0.00011) USER MOD Single : A 8 THR OG1 : rot -71:sc= 0.567 USER MOD Single : A 9 SER OG : rot -58:sc= 0.00688 USER MOD Single : A 12 SER OG : rot 180:sc= 0.244 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : B 33 ASN : amide:sc= -0.0079 K(o=-0.0079,f=-1.2) USER MOD Single : B 35 HIS : no HE2:sc= -0.0295 K(o=-0.029,f=-1.1) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.041) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -178:sc=-0.00351 (180deg=-0.0123) USER MOD Single : B 60 THR OG1 : rot 180:sc= -0.0879 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.144 1.210 -1.085 1.00 25.00 N ATOM 2 CA GLY A 1 3.463 1.123 -0.362 1.00 25.00 C ATOM 3 C GLY A 1 4.201 -0.203 -0.469 1.00 25.00 C ATOM 4 O GLY A 1 3.637 -1.196 -0.835 1.00 25.00 O ATOM 0 H1 GLY A 1 2.223 1.887 -1.870 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.891 0.273 -1.459 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.407 1.530 -0.425 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.115 1.910 -0.742 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.290 1.335 0.693 1.00 25.00 H new ATOM 9 N ILE A 2 5.496 -0.195 -0.129 1.00 25.00 N ATOM 10 CA ILE A 2 6.444 -1.304 -0.343 1.00 25.00 C ATOM 11 C ILE A 2 5.876 -2.685 0.008 1.00 25.00 C ATOM 12 O ILE A 2 6.093 -3.661 -0.752 1.00 25.00 O ATOM 13 CB ILE A 2 7.845 -1.037 0.385 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.710 -2.325 0.565 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.625 -0.403 1.767 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.466 -2.952 -0.636 1.00 25.00 C ATOM 0 H ILE A 2 5.931 0.611 0.319 1.00 25.00 H new ATOM 0 HA ILE A 2 6.623 -1.328 -1.418 1.00 25.00 H new ATOM 0 HB ILE A 2 8.389 -0.358 -0.272 1.00 25.00 H new ATOM 0 HG12 ILE A 2 9.453 -2.106 1.332 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.054 -3.097 0.968 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.589 -0.230 2.245 1.00 25.00 H new ATOM 0 HG22 ILE A 2 7.101 0.546 1.653 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.029 -1.075 2.385 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.007 -3.838 -0.303 1.00 25.00 H new ATOM 0 HD12 ILE A 2 8.751 -3.232 -1.410 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.172 -2.227 -1.040 1.00 25.00 H new ATOM 28 N VAL A 3 5.191 -2.798 1.139 1.00 25.00 N ATOM 29 CA VAL A 3 4.725 -4.129 1.587 1.00 25.00 C ATOM 30 C VAL A 3 3.632 -4.624 0.622 1.00 25.00 C ATOM 31 O VAL A 3 3.676 -5.762 0.182 1.00 25.00 O ATOM 32 CB VAL A 3 4.245 -4.128 3.071 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.788 -5.555 3.497 1.00 25.00 C ATOM 34 CG2 VAL A 3 5.407 -3.652 4.003 1.00 25.00 C ATOM 0 H VAL A 3 4.946 -2.021 1.753 1.00 25.00 H new ATOM 0 HA VAL A 3 5.566 -4.822 1.561 1.00 25.00 H new ATOM 0 HB VAL A 3 3.400 -3.445 3.162 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.456 -5.536 4.535 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.966 -5.879 2.859 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.622 -6.250 3.395 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.067 -3.653 5.038 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.256 -4.327 3.900 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.709 -2.643 3.721 1.00 25.00 H new ATOM 44 N GLU A 4 2.701 -3.742 0.258 1.00 25.00 N ATOM 45 CA GLU A 4 1.626 -4.143 -0.630 1.00 25.00 C ATOM 46 C GLU A 4 2.195 -4.396 -2.052 1.00 25.00 C ATOM 47 O GLU A 4 1.793 -5.354 -2.705 1.00 25.00 O ATOM 48 CB GLU A 4 0.553 -3.072 -0.678 1.00 25.00 C ATOM 49 CG GLU A 4 -0.082 -2.841 0.681 1.00 25.00 C ATOM 50 CD GLU A 4 -1.080 -1.719 0.684 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.608 -1.328 -0.299 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.250 -1.168 1.833 1.00 25.00 O ATOM 0 H GLU A 4 2.673 -2.768 0.560 1.00 25.00 H new ATOM 0 HA GLU A 4 1.177 -5.062 -0.254 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.988 -2.140 -1.038 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.217 -3.362 -1.393 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.574 -3.758 1.005 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.700 -2.625 1.409 1.00 25.00 H new ATOM 60 N GLN A 5 3.112 -3.559 -2.499 1.00 25.00 N ATOM 61 CA GLN A 5 3.732 -3.702 -3.818 1.00 25.00 C ATOM 62 C GLN A 5 4.463 -5.045 -4.019 1.00 25.00 C ATOM 63 O GLN A 5 4.321 -5.672 -5.070 1.00 25.00 O ATOM 64 CB GLN A 5 4.749 -2.566 -3.982 1.00 25.00 C ATOM 65 CG GLN A 5 5.321 -2.414 -5.352 1.00 25.00 C ATOM 66 CD GLN A 5 4.284 -1.926 -6.374 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.697 -0.885 -6.199 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.038 -2.665 -7.369 1.00 25.00 N ATOM 0 H GLN A 5 3.453 -2.760 -1.965 1.00 25.00 H new ATOM 0 HA GLN A 5 2.934 -3.666 -4.560 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.270 -1.628 -3.700 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.567 -2.729 -3.281 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.152 -1.710 -5.319 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.727 -3.371 -5.680 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.548 -3.539 -7.493 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.329 -2.387 -8.048 1.00 25.00 H new ATOM 77 N CYS A 6 5.243 -5.473 -3.032 1.00 25.00 N ATOM 78 CA CYS A 6 6.036 -6.709 -3.164 1.00 25.00 C ATOM 79 C CYS A 6 5.364 -8.031 -2.784 1.00 25.00 C ATOM 80 O CYS A 6 5.728 -9.092 -3.276 1.00 25.00 O ATOM 81 CB CYS A 6 7.280 -6.577 -2.351 1.00 25.00 C ATOM 82 SG CYS A 6 8.670 -5.787 -3.189 1.00 25.00 S ATOM 0 H CYS A 6 5.349 -4.994 -2.137 1.00 25.00 H new ATOM 0 HA CYS A 6 6.210 -6.786 -4.237 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.048 -6.007 -1.452 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.590 -7.571 -2.027 1.00 25.00 H new ATOM 87 N CYS A 7 4.466 -7.991 -1.789 1.00 25.00 N ATOM 88 CA CYS A 7 3.828 -9.211 -1.313 1.00 25.00 C ATOM 89 C CYS A 7 2.940 -9.725 -2.449 1.00 25.00 C ATOM 90 O CYS A 7 2.760 -10.966 -2.610 1.00 25.00 O ATOM 91 CB CYS A 7 2.985 -8.969 -0.013 1.00 25.00 C ATOM 92 SG CYS A 7 2.048 -10.420 0.685 1.00 25.00 S ATOM 0 H CYS A 7 4.174 -7.139 -1.310 1.00 25.00 H new ATOM 0 HA CYS A 7 4.588 -9.945 -1.045 1.00 25.00 H new ATOM 0 HB2 CYS A 7 3.658 -8.599 0.761 1.00 25.00 H new ATOM 0 HB3 CYS A 7 2.269 -8.174 -0.219 1.00 25.00 H new ATOM 97 N THR A 8 2.354 -8.812 -3.199 1.00 25.00 N ATOM 98 CA THR A 8 1.485 -9.212 -4.276 1.00 25.00 C ATOM 99 C THR A 8 2.323 -9.158 -5.530 1.00 25.00 C ATOM 100 O THR A 8 3.155 -8.249 -5.652 1.00 25.00 O ATOM 101 CB THR A 8 0.212 -8.354 -4.459 1.00 25.00 C ATOM 102 OG1 THR A 8 0.563 -7.005 -4.818 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.591 -8.355 -3.206 1.00 25.00 C ATOM 0 H THR A 8 2.464 -7.805 -3.082 1.00 25.00 H new ATOM 0 HA THR A 8 1.101 -10.206 -4.045 1.00 25.00 H new ATOM 0 HB THR A 8 -0.385 -8.785 -5.263 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.959 -6.553 -4.044 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.485 -7.748 -3.346 1.00 25.00 H new ATOM 0 HG22 THR A 8 -0.881 -9.377 -2.961 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.004 -7.941 -2.392 1.00 25.00 H new ATOM 111 N SER A 9 2.102 -10.104 -6.432 1.00 25.00 N ATOM 112 CA SER A 9 2.801 -10.169 -7.717 1.00 25.00 C ATOM 113 C SER A 9 4.317 -10.147 -7.506 1.00 25.00 C ATOM 114 O SER A 9 5.052 -9.398 -8.153 1.00 25.00 O ATOM 115 CB SER A 9 2.380 -8.995 -8.586 1.00 25.00 C ATOM 116 OG SER A 9 2.662 -9.325 -9.925 1.00 25.00 O ATOM 0 H SER A 9 1.427 -10.857 -6.295 1.00 25.00 H new ATOM 0 HA SER A 9 2.536 -11.102 -8.215 1.00 25.00 H new ATOM 0 HB2 SER A 9 1.317 -8.789 -8.460 1.00 25.00 H new ATOM 0 HB3 SER A 9 2.917 -8.092 -8.294 1.00 25.00 H new ATOM 0 HG SER A 9 3.618 -9.519 -10.020 1.00 25.00 H new ATOM 122 N ILE A 10 4.707 -10.976 -6.523 1.00 25.00 N ATOM 123 CA ILE A 10 6.086 -11.155 -6.070 1.00 25.00 C ATOM 124 C ILE A 10 7.152 -10.322 -6.783 1.00 25.00 C ATOM 125 O ILE A 10 7.629 -10.704 -7.877 1.00 25.00 O ATOM 126 CB ILE A 10 6.565 -12.640 -6.185 1.00 25.00 C ATOM 127 CG1 ILE A 10 5.499 -13.674 -5.720 1.00 25.00 C ATOM 128 CG2 ILE A 10 7.845 -12.815 -5.321 1.00 25.00 C ATOM 129 CD1 ILE A 10 5.939 -15.183 -5.903 1.00 25.00 C ATOM 0 H ILE A 10 4.045 -11.557 -6.008 1.00 25.00 H new ATOM 0 HA ILE A 10 6.013 -10.812 -5.038 1.00 25.00 H new ATOM 0 HB ILE A 10 6.756 -12.836 -7.240 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.272 -13.498 -4.668 1.00 25.00 H new ATOM 0 HG13 ILE A 10 4.578 -13.505 -6.277 1.00 25.00 H new ATOM 0 HG21 ILE A 10 8.192 -13.846 -5.390 1.00 25.00 H new ATOM 0 HG22 ILE A 10 8.624 -12.144 -5.684 1.00 25.00 H new ATOM 0 HG23 ILE A 10 7.618 -12.578 -4.282 1.00 25.00 H new ATOM 0 HD11 ILE A 10 5.141 -15.839 -5.555 1.00 25.00 H new ATOM 0 HD12 ILE A 10 6.137 -15.379 -6.957 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.842 -15.371 -5.323 1.00 25.00 H new ATOM 141 N CYS A 11 7.568 -9.210 -6.168 1.00 25.00 N ATOM 142 CA CYS A 11 8.634 -8.377 -6.741 1.00 25.00 C ATOM 143 C CYS A 11 9.969 -9.174 -6.805 1.00 25.00 C ATOM 144 O CYS A 11 10.149 -10.171 -6.059 1.00 25.00 O ATOM 145 CB CYS A 11 8.845 -7.078 -5.925 1.00 25.00 C ATOM 146 SG CYS A 11 9.476 -7.333 -4.240 1.00 25.00 S ATOM 0 H CYS A 11 7.190 -8.868 -5.285 1.00 25.00 H new ATOM 0 HA CYS A 11 8.325 -8.100 -7.749 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.540 -6.435 -6.465 1.00 25.00 H new ATOM 0 HB3 CYS A 11 7.897 -6.544 -5.866 1.00 25.00 H new ATOM 151 N SER A 12 10.894 -8.715 -7.622 1.00 25.00 N ATOM 152 CA SER A 12 12.204 -9.340 -7.747 1.00 25.00 C ATOM 153 C SER A 12 13.196 -8.795 -6.735 1.00 25.00 C ATOM 154 O SER A 12 13.107 -7.628 -6.384 1.00 25.00 O ATOM 155 CB SER A 12 12.731 -9.058 -9.159 1.00 25.00 C ATOM 156 OG SER A 12 12.947 -7.657 -9.314 1.00 25.00 O ATOM 0 H SER A 12 10.764 -7.899 -8.220 1.00 25.00 H new ATOM 0 HA SER A 12 12.096 -10.409 -7.562 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.661 -9.601 -9.327 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.017 -9.411 -9.903 1.00 25.00 H new ATOM 0 HG SER A 12 13.286 -7.476 -10.216 1.00 25.00 H new ATOM 162 N LEU A 13 14.179 -9.545 -6.316 1.00 25.00 N ATOM 163 CA LEU A 13 15.145 -9.001 -5.378 1.00 25.00 C ATOM 164 C LEU A 13 16.041 -7.934 -6.058 1.00 25.00 C ATOM 165 O LEU A 13 16.606 -7.077 -5.378 1.00 25.00 O ATOM 166 CB LEU A 13 16.012 -10.111 -4.750 1.00 25.00 C ATOM 167 CG LEU A 13 17.070 -10.758 -5.644 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.463 -10.289 -5.146 1.00 25.00 C ATOM 169 CD2 LEU A 13 16.980 -12.250 -5.588 1.00 25.00 C ATOM 0 H LEU A 13 14.338 -10.513 -6.596 1.00 25.00 H new ATOM 0 HA LEU A 13 14.583 -8.521 -4.577 1.00 25.00 H new ATOM 0 HB2 LEU A 13 16.515 -9.694 -3.878 1.00 25.00 H new ATOM 0 HB3 LEU A 13 15.347 -10.896 -4.390 1.00 25.00 H new ATOM 0 HG LEU A 13 16.910 -10.459 -6.680 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.240 -10.735 -5.766 1.00 25.00 H new ATOM 0 HD12 LEU A 13 18.526 -9.203 -5.211 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.602 -10.599 -4.110 1.00 25.00 H new ATOM 0 HD21 LEU A 13 17.744 -12.685 -6.233 1.00 25.00 H new ATOM 0 HD22 LEU A 13 17.136 -12.586 -4.563 1.00 25.00 H new ATOM 0 HD23 LEU A 13 15.994 -12.568 -5.927 1.00 25.00 H new ATOM 181 N TYR A 14 16.053 -7.941 -7.359 1.00 25.00 N ATOM 182 CA TYR A 14 16.782 -6.968 -8.140 1.00 25.00 C ATOM 183 C TYR A 14 16.140 -5.612 -8.036 1.00 25.00 C ATOM 184 O TYR A 14 16.804 -4.591 -7.873 1.00 25.00 O ATOM 185 CB TYR A 14 16.828 -7.449 -9.587 1.00 25.00 C ATOM 186 CG TYR A 14 17.669 -6.575 -10.488 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.074 -6.683 -10.494 1.00 25.00 C ATOM 188 CD2 TYR A 14 17.074 -5.618 -11.295 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.853 -5.847 -11.289 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.857 -4.733 -12.073 1.00 25.00 C ATOM 191 CZ TYR A 14 19.242 -4.894 -12.061 1.00 25.00 C ATOM 192 OH TYR A 14 20.032 -4.077 -12.858 1.00 25.00 O ATOM 0 H TYR A 14 15.552 -8.629 -7.921 1.00 25.00 H new ATOM 0 HA TYR A 14 17.798 -6.870 -7.758 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.221 -8.465 -9.611 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.812 -7.490 -9.980 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.553 -7.425 -9.873 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.997 -5.547 -11.330 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.928 -5.949 -11.297 1.00 25.00 H new ATOM 0 HE2 TYR A 14 17.394 -3.954 -12.660 1.00 25.00 H new ATOM 0 HH TYR A 14 19.462 -3.450 -13.350 1.00 25.00 H new ATOM 202 N GLN A 15 14.811 -5.606 -7.996 1.00 25.00 N ATOM 203 CA GLN A 15 14.082 -4.360 -7.733 1.00 25.00 C ATOM 204 C GLN A 15 14.240 -3.986 -6.274 1.00 25.00 C ATOM 205 O GLN A 15 14.431 -2.820 -5.955 1.00 25.00 O ATOM 206 CB GLN A 15 12.601 -4.540 -8.094 1.00 25.00 C ATOM 207 CG GLN A 15 11.782 -3.242 -7.984 1.00 25.00 C ATOM 208 CD GLN A 15 10.369 -3.390 -8.496 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.726 -4.358 -8.278 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.907 -2.431 -9.222 1.00 25.00 N ATOM 0 H GLN A 15 14.224 -6.428 -8.138 1.00 25.00 H new ATOM 0 HA GLN A 15 14.488 -3.556 -8.347 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.527 -4.922 -9.112 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.164 -5.293 -7.438 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.753 -2.924 -6.942 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.285 -2.453 -8.544 1.00 25.00 H new ATOM 0 HE21 GLN A 15 10.478 -1.604 -9.398 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.971 -2.499 -9.620 1.00 25.00 H new ATOM 219 N LEU A 16 14.095 -4.971 -5.383 1.00 25.00 N ATOM 220 CA LEU A 16 14.159 -4.712 -3.924 1.00 25.00 C ATOM 221 C LEU A 16 15.486 -4.065 -3.515 1.00 25.00 C ATOM 222 O LEU A 16 15.511 -3.194 -2.655 1.00 25.00 O ATOM 223 CB LEU A 16 14.014 -6.039 -3.176 1.00 25.00 C ATOM 224 CG LEU A 16 13.914 -5.941 -1.628 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.658 -5.238 -1.172 1.00 25.00 C ATOM 226 CD2 LEU A 16 13.935 -7.348 -1.007 1.00 25.00 C ATOM 0 H LEU A 16 13.934 -5.947 -5.632 1.00 25.00 H new ATOM 0 HA LEU A 16 13.351 -4.025 -3.671 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.123 -6.547 -3.546 1.00 25.00 H new ATOM 0 HB3 LEU A 16 14.867 -6.669 -3.426 1.00 25.00 H new ATOM 0 HG LEU A 16 14.773 -5.357 -1.297 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.639 -5.197 -0.083 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.642 -4.225 -1.573 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.785 -5.784 -1.530 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.864 -7.268 0.078 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.090 -7.925 -1.384 1.00 25.00 H new ATOM 0 HD23 LEU A 16 14.865 -7.850 -1.274 1.00 25.00 H new ATOM 238 N GLU A 17 16.556 -4.436 -4.164 1.00 25.00 N ATOM 239 CA GLU A 17 17.890 -3.820 -3.957 1.00 25.00 C ATOM 240 C GLU A 17 17.890 -2.353 -4.286 1.00 25.00 C ATOM 241 O GLU A 17 18.650 -1.619 -3.672 1.00 25.00 O ATOM 242 CB GLU A 17 18.961 -4.559 -4.783 1.00 25.00 C ATOM 243 CG GLU A 17 19.524 -5.845 -4.109 1.00 25.00 C ATOM 244 CD GLU A 17 20.588 -6.540 -4.968 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.333 -7.261 -5.892 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.804 -6.260 -4.643 1.00 25.00 O ATOM 0 H GLU A 17 16.553 -5.179 -4.863 1.00 25.00 H new ATOM 0 HA GLU A 17 18.132 -3.916 -2.898 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.535 -4.828 -5.750 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.787 -3.875 -4.978 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.955 -5.586 -3.142 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.706 -6.539 -3.918 1.00 25.00 H new ATOM 254 N ASN A 18 17.082 -1.887 -5.235 1.00 25.00 N ATOM 255 CA ASN A 18 17.044 -0.446 -5.538 1.00 25.00 C ATOM 256 C ASN A 18 16.532 0.379 -4.344 1.00 25.00 C ATOM 257 O ASN A 18 16.765 1.589 -4.278 1.00 25.00 O ATOM 258 CB ASN A 18 16.191 -0.195 -6.751 1.00 25.00 C ATOM 259 CG ASN A 18 16.822 0.768 -7.707 1.00 25.00 C ATOM 260 OD1 ASN A 18 17.010 1.939 -7.386 1.00 25.00 O ATOM 261 ND2 ASN A 18 17.113 0.315 -8.873 1.00 25.00 N ATOM 0 H ASN A 18 16.457 -2.463 -5.799 1.00 25.00 H new ATOM 0 HA ASN A 18 18.065 -0.124 -5.742 1.00 25.00 H new ATOM 0 HB2 ASN A 18 16.005 -1.140 -7.262 1.00 25.00 H new ATOM 0 HB3 ASN A 18 15.222 0.193 -6.436 1.00 25.00 H new ATOM 0 HD21 ASN A 18 17.517 0.935 -9.575 1.00 25.00 H new ATOM 0 HD22 ASN A 18 16.940 -0.665 -9.097 1.00 25.00 H new ATOM 268 N TYR A 19 15.859 -0.248 -3.398 1.00 25.00 N ATOM 269 CA TYR A 19 15.404 0.495 -2.230 1.00 25.00 C ATOM 270 C TYR A 19 16.537 0.798 -1.296 1.00 25.00 C ATOM 271 O TYR A 19 16.402 1.660 -0.437 1.00 25.00 O ATOM 272 CB TYR A 19 14.378 -0.366 -1.435 1.00 25.00 C ATOM 273 CG TYR A 19 12.988 -0.483 -2.106 1.00 25.00 C ATOM 274 CD1 TYR A 19 12.810 -1.363 -3.230 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.847 0.210 -1.623 1.00 25.00 C ATOM 276 CE1 TYR A 19 11.567 -1.568 -3.805 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.595 -0.001 -2.218 1.00 25.00 C ATOM 278 CZ TYR A 19 10.489 -0.889 -3.306 1.00 25.00 C ATOM 279 OH TYR A 19 9.274 -1.070 -3.904 1.00 25.00 O ATOM 0 H TYR A 19 15.619 -1.239 -3.408 1.00 25.00 H new ATOM 0 HA TYR A 19 14.962 1.425 -2.588 1.00 25.00 H new ATOM 0 HB2 TYR A 19 14.789 -1.367 -1.300 1.00 25.00 H new ATOM 0 HB3 TYR A 19 14.254 0.064 -0.441 1.00 25.00 H new ATOM 0 HD1 TYR A 19 13.668 -1.877 -3.636 1.00 25.00 H new ATOM 0 HD2 TYR A 19 11.943 0.900 -0.797 1.00 25.00 H new ATOM 0 HE1 TYR A 19 11.451 -2.252 -4.633 1.00 25.00 H new ATOM 0 HE2 TYR A 19 9.721 0.512 -1.846 1.00 25.00 H new ATOM 0 HH TYR A 19 8.599 -0.527 -3.445 1.00 25.00 H new ATOM 289 N CYS A 20 17.640 0.047 -1.421 1.00 25.00 N ATOM 290 CA CYS A 20 18.794 0.281 -0.569 1.00 25.00 C ATOM 291 C CYS A 20 20.041 -0.285 -1.199 1.00 25.00 C ATOM 292 O CYS A 20 20.272 -1.460 -1.153 1.00 25.00 O ATOM 293 CB CYS A 20 18.572 -0.372 0.799 1.00 25.00 C ATOM 294 SG CYS A 20 19.937 -0.047 1.984 1.00 25.00 S ATOM 0 H CYS A 20 17.749 -0.712 -2.093 1.00 25.00 H new ATOM 0 HA CYS A 20 18.919 1.357 -0.445 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.637 -0.005 1.222 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.462 -1.448 0.667 1.00 25.00 H new ATOM 299 N ASN A 21 20.818 0.640 -1.862 1.00 25.00 N ATOM 300 CA ASN A 21 22.102 0.382 -2.512 1.00 25.00 C ATOM 301 C ASN A 21 21.901 -0.305 -3.834 1.00 25.00 C ATOM 302 O ASN A 21 21.878 0.358 -4.864 1.00 25.00 O ATOM 303 CB ASN A 21 23.198 -0.321 -1.663 1.00 25.00 C ATOM 304 CG ASN A 21 23.134 0.037 -0.234 1.00 25.00 C ATOM 305 OD1 ASN A 21 22.927 -0.767 0.597 1.00 25.00 O ATOM 306 ND2 ASN A 21 23.347 1.274 0.070 1.00 25.00 N ATOM 307 OXT ASN A 21 21.727 -1.541 -3.818 1.00 25.00 O ATOM 0 H ASN A 21 20.532 1.615 -1.946 1.00 25.00 H new ATOM 0 HA ASN A 21 22.519 1.378 -2.663 1.00 25.00 H new ATOM 0 HB2 ASN A 21 23.094 -1.401 -1.767 1.00 25.00 H new ATOM 0 HB3 ASN A 21 24.180 -0.056 -2.055 1.00 25.00 H new ATOM 0 HD21 ASN A 21 23.337 1.568 1.047 1.00 25.00 H new ATOM 0 HD22 ASN A 21 23.525 1.957 -0.667 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.202 -15.996 -0.511 1.00 25.00 N ATOM 317 CA PHE B 31 17.844 -15.578 -0.911 1.00 25.00 C ATOM 318 C PHE B 31 16.978 -16.714 -1.501 1.00 25.00 C ATOM 319 O PHE B 31 17.434 -17.720 -2.013 1.00 25.00 O ATOM 320 CB PHE B 31 17.911 -14.437 -1.951 1.00 25.00 C ATOM 321 CG PHE B 31 16.674 -13.587 -2.042 1.00 25.00 C ATOM 322 CD1 PHE B 31 15.577 -13.861 -2.901 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.584 -12.490 -1.169 1.00 25.00 C ATOM 324 CE1 PHE B 31 14.414 -13.011 -2.857 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.480 -11.657 -1.163 1.00 25.00 C ATOM 326 CZ PHE B 31 14.368 -11.959 -1.962 1.00 25.00 C ATOM 0 HA PHE B 31 17.369 -15.248 0.013 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.758 -13.795 -1.710 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.109 -14.870 -2.931 1.00 25.00 H new ATOM 0 HD1 PHE B 31 15.614 -14.699 -3.581 1.00 25.00 H new ATOM 0 HD2 PHE B 31 17.397 -12.292 -0.486 1.00 25.00 H new ATOM 0 HE1 PHE B 31 13.582 -13.195 -3.521 1.00 25.00 H new ATOM 0 HE2 PHE B 31 15.474 -10.773 -0.542 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.470 -11.366 -1.877 1.00 25.00 H new ATOM 337 N VAL B 32 15.665 -16.552 -1.360 1.00 25.00 N ATOM 338 CA VAL B 32 14.663 -17.518 -1.815 1.00 25.00 C ATOM 339 C VAL B 32 13.492 -16.725 -2.398 1.00 25.00 C ATOM 340 O VAL B 32 13.019 -15.747 -1.787 1.00 25.00 O ATOM 341 CB VAL B 32 14.203 -18.481 -0.661 1.00 25.00 C ATOM 342 CG1 VAL B 32 13.741 -17.718 0.604 1.00 25.00 C ATOM 343 CG2 VAL B 32 13.043 -19.386 -1.139 1.00 25.00 C ATOM 0 H VAL B 32 15.257 -15.729 -0.917 1.00 25.00 H new ATOM 0 HA VAL B 32 15.093 -18.168 -2.578 1.00 25.00 H new ATOM 0 HB VAL B 32 15.075 -19.081 -0.400 1.00 25.00 H new ATOM 0 HG11 VAL B 32 13.435 -18.432 1.368 1.00 25.00 H new ATOM 0 HG12 VAL B 32 14.563 -17.111 0.983 1.00 25.00 H new ATOM 0 HG13 VAL B 32 12.899 -17.072 0.353 1.00 25.00 H new ATOM 0 HG21 VAL B 32 12.738 -20.046 -0.327 1.00 25.00 H new ATOM 0 HG22 VAL B 32 12.198 -18.766 -1.440 1.00 25.00 H new ATOM 0 HG23 VAL B 32 13.374 -19.984 -1.988 1.00 25.00 H new ATOM 353 N ASN B 33 13.066 -17.085 -3.587 1.00 25.00 N ATOM 354 CA ASN B 33 11.892 -16.439 -4.231 1.00 25.00 C ATOM 355 C ASN B 33 10.605 -17.031 -3.673 1.00 25.00 C ATOM 356 O ASN B 33 10.266 -18.163 -3.935 1.00 25.00 O ATOM 357 CB ASN B 33 11.923 -16.634 -5.729 1.00 25.00 C ATOM 358 CG ASN B 33 13.064 -15.971 -6.365 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.537 -14.941 -5.860 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.552 -16.516 -7.448 1.00 25.00 N ATOM 0 H ASN B 33 13.499 -17.820 -4.146 1.00 25.00 H new ATOM 0 HA ASN B 33 11.931 -15.371 -4.016 1.00 25.00 H new ATOM 0 HB2 ASN B 33 11.958 -17.701 -5.951 1.00 25.00 H new ATOM 0 HB3 ASN B 33 10.999 -16.249 -6.160 1.00 25.00 H new ATOM 0 HD21 ASN B 33 14.355 -16.094 -7.914 1.00 25.00 H new ATOM 0 HD22 ASN B 33 13.130 -17.364 -7.827 1.00 25.00 H new ATOM 367 N GLN B 34 9.897 -16.264 -2.867 1.00 25.00 N ATOM 368 CA GLN B 34 8.661 -16.688 -2.240 1.00 25.00 C ATOM 369 C GLN B 34 7.839 -15.432 -1.992 1.00 25.00 C ATOM 370 O GLN B 34 8.357 -14.299 -2.123 1.00 25.00 O ATOM 371 CB GLN B 34 8.937 -17.391 -0.890 1.00 25.00 C ATOM 372 CG GLN B 34 9.636 -16.481 0.187 1.00 25.00 C ATOM 373 CD GLN B 34 9.633 -17.126 1.592 1.00 25.00 C ATOM 374 OE1 GLN B 34 9.280 -16.499 2.585 1.00 25.00 O ATOM 375 NE2 GLN B 34 10.046 -18.356 1.663 1.00 25.00 N ATOM 0 H GLN B 34 10.170 -15.311 -2.625 1.00 25.00 H new ATOM 0 HA GLN B 34 8.138 -17.396 -2.883 1.00 25.00 H new ATOM 0 HB2 GLN B 34 7.993 -17.754 -0.484 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.563 -18.265 -1.071 1.00 25.00 H new ATOM 0 HG2 GLN B 34 10.664 -16.285 -0.118 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.127 -15.518 0.231 1.00 25.00 H new ATOM 0 HE21 GLN B 34 10.332 -18.848 0.816 1.00 25.00 H new ATOM 0 HE22 GLN B 34 10.084 -18.830 2.565 1.00 25.00 H new ATOM 384 N HIS B 35 6.582 -15.573 -1.566 1.00 25.00 N ATOM 385 CA HIS B 35 5.759 -14.407 -1.201 1.00 25.00 C ATOM 386 C HIS B 35 6.238 -13.745 0.126 1.00 25.00 C ATOM 387 O HIS B 35 5.651 -13.945 1.214 1.00 25.00 O ATOM 388 CB HIS B 35 4.262 -14.771 -1.115 1.00 25.00 C ATOM 389 CG HIS B 35 3.648 -15.133 -2.413 1.00 25.00 C ATOM 390 ND1 HIS B 35 3.047 -14.181 -3.233 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.487 -16.293 -3.052 1.00 25.00 C ATOM 392 CE1 HIS B 35 2.598 -14.769 -4.321 1.00 25.00 C ATOM 393 NE2 HIS B 35 2.875 -16.058 -4.249 1.00 25.00 N ATOM 0 H HIS B 35 6.111 -16.472 -1.464 1.00 25.00 H new ATOM 0 HA HIS B 35 5.885 -13.677 -2.000 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.142 -15.606 -0.424 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.718 -13.926 -0.692 1.00 25.00 H new ATOM 0 HD1 HIS B 35 2.968 -13.186 -3.023 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.792 -17.261 -2.682 1.00 25.00 H new ATOM 0 HE1 HIS B 35 2.088 -14.279 -5.137 1.00 25.00 H new ATOM 402 N LEU B 36 7.340 -13.036 0.097 1.00 25.00 N ATOM 403 CA LEU B 36 7.791 -12.390 1.294 1.00 25.00 C ATOM 404 C LEU B 36 6.770 -11.329 1.691 1.00 25.00 C ATOM 405 O LEU B 36 6.427 -10.462 0.915 1.00 25.00 O ATOM 406 CB LEU B 36 9.140 -11.718 1.021 1.00 25.00 C ATOM 407 CG LEU B 36 10.327 -12.647 0.759 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.395 -11.900 0.153 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.757 -13.320 2.085 1.00 25.00 C ATOM 0 H LEU B 36 7.927 -12.896 -0.726 1.00 25.00 H new ATOM 0 HA LEU B 36 7.901 -13.119 2.097 1.00 25.00 H new ATOM 0 HB2 LEU B 36 9.025 -11.061 0.159 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.384 -11.085 1.874 1.00 25.00 H new ATOM 0 HG LEU B 36 10.047 -13.439 0.065 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.241 -12.561 -0.034 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.052 -11.474 -0.790 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.703 -11.097 0.823 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.603 -13.982 1.899 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.047 -12.554 2.804 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.925 -13.898 2.486 1.00 25.00 H new ATOM 421 N CYS B 37 6.247 -11.484 2.895 1.00 25.00 N ATOM 422 CA CYS B 37 5.131 -10.685 3.355 1.00 25.00 C ATOM 423 C CYS B 37 5.303 -10.376 4.840 1.00 25.00 C ATOM 424 O CYS B 37 6.384 -9.923 5.214 1.00 25.00 O ATOM 425 CB CYS B 37 3.819 -11.429 3.018 1.00 25.00 C ATOM 426 SG CYS B 37 2.359 -10.351 2.707 1.00 25.00 S ATOM 0 H CYS B 37 6.584 -12.164 3.576 1.00 25.00 H new ATOM 0 HA CYS B 37 5.091 -9.721 2.848 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.988 -12.047 2.136 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.582 -12.104 3.840 1.00 25.00 H new ATOM 431 N GLY B 38 4.274 -10.590 5.654 1.00 25.00 N ATOM 432 CA GLY B 38 4.359 -10.380 7.089 1.00 25.00 C ATOM 433 C GLY B 38 5.725 -10.633 7.737 1.00 25.00 C ATOM 434 O GLY B 38 6.162 -11.763 7.831 1.00 25.00 O ATOM 0 H GLY B 38 3.361 -10.913 5.335 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.066 -9.352 7.301 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.627 -11.027 7.573 1.00 25.00 H new ATOM 438 N SER B 39 6.428 -9.549 8.081 1.00 25.00 N ATOM 439 CA SER B 39 7.796 -9.512 8.642 1.00 25.00 C ATOM 440 C SER B 39 8.928 -10.011 7.728 1.00 25.00 C ATOM 441 O SER B 39 9.932 -9.360 7.614 1.00 25.00 O ATOM 442 CB SER B 39 7.819 -10.262 9.992 1.00 25.00 C ATOM 443 OG SER B 39 9.066 -10.123 10.659 1.00 25.00 O ATOM 0 H SER B 39 6.039 -8.613 7.971 1.00 25.00 H new ATOM 0 HA SER B 39 8.017 -8.452 8.768 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.022 -9.882 10.631 1.00 25.00 H new ATOM 0 HB3 SER B 39 7.615 -11.319 9.823 1.00 25.00 H new ATOM 0 HG SER B 39 9.039 -10.610 11.509 1.00 25.00 H new ATOM 449 N HIS B 40 8.734 -11.114 7.052 1.00 25.00 N ATOM 450 CA HIS B 40 9.765 -11.686 6.187 1.00 25.00 C ATOM 451 C HIS B 40 10.217 -10.724 5.098 1.00 25.00 C ATOM 452 O HIS B 40 11.410 -10.636 4.799 1.00 25.00 O ATOM 453 CB HIS B 40 9.196 -12.958 5.562 1.00 25.00 C ATOM 454 CG HIS B 40 9.776 -14.233 6.097 1.00 25.00 C ATOM 455 ND1 HIS B 40 9.676 -15.456 5.430 1.00 25.00 N ATOM 456 CD2 HIS B 40 10.483 -14.513 7.220 1.00 25.00 C ATOM 457 CE1 HIS B 40 10.317 -16.371 6.128 1.00 25.00 C ATOM 458 NE2 HIS B 40 10.759 -15.840 7.229 1.00 25.00 N ATOM 0 H HIS B 40 7.865 -11.648 7.077 1.00 25.00 H new ATOM 0 HA HIS B 40 10.647 -11.901 6.790 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.117 -12.972 5.718 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.362 -12.923 4.485 1.00 25.00 H new ATOM 0 HD1 HIS B 40 9.188 -15.614 4.549 1.00 25.00 H new ATOM 0 HD2 HIS B 40 10.776 -13.801 7.977 1.00 25.00 H new ATOM 0 HE1 HIS B 40 10.454 -17.401 5.832 1.00 25.00 H new ATOM 467 N LEU B 41 9.302 -9.927 4.523 1.00 25.00 N ATOM 468 CA LEU B 41 9.731 -8.923 3.534 1.00 25.00 C ATOM 469 C LEU B 41 10.599 -7.842 4.115 1.00 25.00 C ATOM 470 O LEU B 41 11.682 -7.639 3.566 1.00 25.00 O ATOM 471 CB LEU B 41 8.503 -8.342 2.879 1.00 25.00 C ATOM 472 CG LEU B 41 8.782 -7.319 1.752 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.382 -7.948 0.488 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.539 -6.574 1.418 1.00 25.00 C ATOM 0 H LEU B 41 8.300 -9.953 4.714 1.00 25.00 H new ATOM 0 HA LEU B 41 10.357 -9.424 2.795 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.909 -9.158 2.469 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.896 -7.859 3.645 1.00 25.00 H new ATOM 0 HG LEU B 41 9.535 -6.632 2.138 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.551 -7.173 -0.259 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.329 -8.427 0.735 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.692 -8.692 0.089 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.747 -5.857 0.624 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.774 -7.274 1.083 1.00 25.00 H new ATOM 0 HD23 LEU B 41 7.184 -6.044 2.302 1.00 25.00 H new ATOM 486 N VAL B 42 10.225 -7.212 5.206 1.00 25.00 N ATOM 487 CA VAL B 42 11.083 -6.120 5.766 1.00 25.00 C ATOM 488 C VAL B 42 12.317 -6.691 6.400 1.00 25.00 C ATOM 489 O VAL B 42 13.358 -6.048 6.434 1.00 25.00 O ATOM 490 CB VAL B 42 10.284 -5.243 6.802 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.991 -6.026 8.140 1.00 25.00 C ATOM 492 CG2 VAL B 42 11.064 -3.945 7.167 1.00 25.00 C ATOM 0 H VAL B 42 9.370 -7.406 5.728 1.00 25.00 H new ATOM 0 HA VAL B 42 11.384 -5.474 4.941 1.00 25.00 H new ATOM 0 HB VAL B 42 9.342 -4.991 6.315 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.438 -5.383 8.825 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.399 -6.914 7.920 1.00 25.00 H new ATOM 0 HG13 VAL B 42 10.933 -6.323 8.602 1.00 25.00 H new ATOM 0 HG21 VAL B 42 10.485 -3.362 7.884 1.00 25.00 H new ATOM 0 HG22 VAL B 42 12.026 -4.210 7.607 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.228 -3.353 6.266 1.00 25.00 H new ATOM 502 N GLU B 43 12.232 -7.954 6.822 1.00 25.00 N ATOM 503 CA GLU B 43 13.407 -8.625 7.300 1.00 25.00 C ATOM 504 C GLU B 43 14.413 -8.889 6.204 1.00 25.00 C ATOM 505 O GLU B 43 15.576 -8.614 6.364 1.00 25.00 O ATOM 506 CB GLU B 43 13.035 -9.906 8.023 1.00 25.00 C ATOM 507 CG GLU B 43 14.192 -10.523 8.816 1.00 25.00 C ATOM 508 CD GLU B 43 13.740 -11.776 9.543 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.967 -12.591 9.044 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.248 -11.894 10.742 1.00 25.00 O ATOM 0 H GLU B 43 11.376 -8.509 6.837 1.00 25.00 H new ATOM 0 HA GLU B 43 13.892 -7.954 8.009 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.208 -9.702 8.703 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.677 -10.633 7.294 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.013 -10.765 8.141 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.574 -9.798 9.535 1.00 25.00 H new ATOM 518 N ALA B 44 13.926 -9.280 5.030 1.00 25.00 N ATOM 519 CA ALA B 44 14.817 -9.466 3.916 1.00 25.00 C ATOM 520 C ALA B 44 15.424 -8.132 3.437 1.00 25.00 C ATOM 521 O ALA B 44 16.585 -8.047 3.070 1.00 25.00 O ATOM 522 CB ALA B 44 14.130 -10.186 2.749 1.00 25.00 C ATOM 0 H ALA B 44 12.942 -9.468 4.838 1.00 25.00 H new ATOM 0 HA ALA B 44 15.629 -10.099 4.274 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.837 -10.306 1.929 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.786 -11.166 3.078 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.278 -9.598 2.410 1.00 25.00 H new ATOM 528 N LEU B 45 14.586 -7.118 3.467 1.00 25.00 N ATOM 529 CA LEU B 45 15.001 -5.779 3.108 1.00 25.00 C ATOM 530 C LEU B 45 16.132 -5.337 4.049 1.00 25.00 C ATOM 531 O LEU B 45 17.103 -4.770 3.622 1.00 25.00 O ATOM 532 CB LEU B 45 13.858 -4.792 3.143 1.00 25.00 C ATOM 533 CG LEU B 45 14.122 -3.341 2.666 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.641 -3.224 1.190 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.814 -2.614 2.814 1.00 25.00 C ATOM 0 H LEU B 45 13.606 -7.197 3.738 1.00 25.00 H new ATOM 0 HA LEU B 45 15.359 -5.797 2.079 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.049 -5.199 2.536 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.493 -4.743 4.169 1.00 25.00 H new ATOM 0 HG LEU B 45 14.923 -2.914 3.270 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.798 -2.174 0.942 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.582 -3.765 1.091 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.904 -3.651 0.510 1.00 25.00 H new ATOM 0 HD21 LEU B 45 12.934 -1.580 2.492 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.056 -3.100 2.199 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.502 -2.635 3.858 1.00 25.00 H new ATOM 547 N TYR B 46 15.999 -5.580 5.321 1.00 25.00 N ATOM 548 CA TYR B 46 17.043 -5.248 6.274 1.00 25.00 C ATOM 549 C TYR B 46 18.307 -6.041 5.956 1.00 25.00 C ATOM 550 O TYR B 46 19.392 -5.514 6.049 1.00 25.00 O ATOM 551 CB TYR B 46 16.564 -5.574 7.717 1.00 25.00 C ATOM 552 CG TYR B 46 17.713 -5.688 8.682 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.495 -4.575 9.007 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.047 -6.909 9.230 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.608 -4.669 9.850 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.157 -7.018 10.118 1.00 25.00 C ATOM 557 CZ TYR B 46 19.947 -5.856 10.405 1.00 25.00 C ATOM 558 OH TYR B 46 21.064 -5.931 11.213 1.00 25.00 O ATOM 0 H TYR B 46 15.172 -6.011 5.735 1.00 25.00 H new ATOM 0 HA TYR B 46 17.264 -4.183 6.204 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.882 -4.795 8.057 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.003 -6.508 7.710 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.232 -3.612 8.594 1.00 25.00 H new ATOM 0 HD2 TYR B 46 17.466 -7.786 8.985 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.200 -3.790 10.059 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.401 -7.968 10.571 1.00 25.00 H new ATOM 0 HH TYR B 46 21.173 -6.850 11.536 1.00 25.00 H new ATOM 568 N LEU B 47 18.158 -7.324 5.594 1.00 25.00 N ATOM 569 CA LEU B 47 19.339 -8.166 5.351 1.00 25.00 C ATOM 570 C LEU B 47 20.157 -7.609 4.150 1.00 25.00 C ATOM 571 O LEU B 47 21.361 -7.549 4.185 1.00 25.00 O ATOM 572 CB LEU B 47 18.944 -9.634 5.146 1.00 25.00 C ATOM 573 CG LEU B 47 18.474 -10.342 6.442 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.711 -11.683 6.137 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.699 -10.705 7.352 1.00 25.00 C ATOM 0 H LEU B 47 17.260 -7.791 5.466 1.00 25.00 H new ATOM 0 HA LEU B 47 19.977 -8.134 6.234 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.146 -9.686 4.405 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.796 -10.176 4.736 1.00 25.00 H new ATOM 0 HG LEU B 47 17.806 -9.642 6.944 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.400 -12.146 7.074 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.833 -11.471 5.527 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.371 -12.363 5.598 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.346 -11.201 8.256 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.370 -11.372 6.810 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.234 -9.794 7.623 1.00 25.00 H new ATOM 587 N VAL B 48 19.445 -7.166 3.083 1.00 25.00 N ATOM 588 CA VAL B 48 20.101 -6.641 1.906 1.00 25.00 C ATOM 589 C VAL B 48 20.547 -5.191 2.075 1.00 25.00 C ATOM 590 O VAL B 48 21.468 -4.741 1.416 1.00 25.00 O ATOM 591 CB VAL B 48 19.218 -6.760 0.582 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.885 -8.252 0.313 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.860 -6.003 0.663 1.00 25.00 C ATOM 0 H VAL B 48 18.426 -7.170 3.034 1.00 25.00 H new ATOM 0 HA VAL B 48 20.982 -7.272 1.789 1.00 25.00 H new ATOM 0 HB VAL B 48 19.816 -6.311 -0.212 1.00 25.00 H new ATOM 0 HG11 VAL B 48 18.282 -8.333 -0.591 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.810 -8.814 0.184 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.329 -8.659 1.158 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.316 -6.130 -0.273 1.00 25.00 H new ATOM 0 HG22 VAL B 48 17.267 -6.406 1.484 1.00 25.00 H new ATOM 0 HG23 VAL B 48 18.044 -4.942 0.835 1.00 25.00 H new ATOM 603 N CYS B 49 19.962 -4.504 3.016 1.00 25.00 N ATOM 604 CA CYS B 49 20.272 -3.101 3.231 1.00 25.00 C ATOM 605 C CYS B 49 21.308 -2.862 4.330 1.00 25.00 C ATOM 606 O CYS B 49 22.284 -2.114 4.141 1.00 25.00 O ATOM 607 CB CYS B 49 18.959 -2.365 3.611 1.00 25.00 C ATOM 608 SG CYS B 49 19.081 -0.572 3.734 1.00 25.00 S ATOM 0 H CYS B 49 19.264 -4.886 3.654 1.00 25.00 H new ATOM 0 HA CYS B 49 20.705 -2.721 2.306 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.198 -2.610 2.869 1.00 25.00 H new ATOM 0 HB3 CYS B 49 18.609 -2.754 4.567 1.00 25.00 H new ATOM 613 N GLY B 50 21.047 -3.314 5.545 1.00 25.00 N ATOM 614 CA GLY B 50 21.912 -3.018 6.696 1.00 25.00 C ATOM 615 C GLY B 50 21.617 -1.670 7.303 1.00 25.00 C ATOM 616 O GLY B 50 21.186 -1.592 8.444 1.00 25.00 O ATOM 0 H GLY B 50 20.238 -3.893 5.770 1.00 25.00 H new ATOM 0 HA2 GLY B 50 21.782 -3.791 7.453 1.00 25.00 H new ATOM 0 HA3 GLY B 50 22.955 -3.052 6.382 1.00 25.00 H new ATOM 620 N GLU B 51 21.742 -0.655 6.502 1.00 25.00 N ATOM 621 CA GLU B 51 21.529 0.737 6.924 1.00 25.00 C ATOM 622 C GLU B 51 22.253 0.957 8.276 1.00 25.00 C ATOM 623 O GLU B 51 23.403 0.634 8.435 1.00 25.00 O ATOM 624 CB GLU B 51 20.022 1.076 6.968 1.00 25.00 C ATOM 625 CG GLU B 51 19.670 2.498 6.487 1.00 25.00 C ATOM 626 CD GLU B 51 18.881 3.251 7.486 1.00 25.00 C ATOM 627 OE1 GLU B 51 19.292 3.475 8.575 1.00 25.00 O ATOM 628 OE2 GLU B 51 17.767 3.692 7.023 1.00 25.00 O ATOM 0 H GLU B 51 21.998 -0.749 5.519 1.00 25.00 H new ATOM 0 HA GLU B 51 21.958 1.429 6.199 1.00 25.00 H new ATOM 0 HB2 GLU B 51 19.483 0.355 6.354 1.00 25.00 H new ATOM 0 HB3 GLU B 51 19.665 0.954 7.991 1.00 25.00 H new ATOM 0 HG2 GLU B 51 20.589 3.042 6.268 1.00 25.00 H new ATOM 0 HG3 GLU B 51 19.107 2.435 5.556 1.00 25.00 H new ATOM 636 N GLN B 52 21.574 1.538 9.255 1.00 25.00 N ATOM 637 CA GLN B 52 22.146 1.793 10.568 1.00 25.00 C ATOM 638 C GLN B 52 21.249 0.999 11.531 1.00 25.00 C ATOM 639 O GLN B 52 21.060 1.424 12.649 1.00 25.00 O ATOM 640 CB GLN B 52 22.055 3.293 10.926 1.00 25.00 C ATOM 641 CG GLN B 52 22.979 4.223 10.052 1.00 25.00 C ATOM 642 CD GLN B 52 24.446 3.918 10.093 1.00 25.00 C ATOM 643 OE1 GLN B 52 25.066 3.899 11.135 1.00 25.00 O ATOM 644 NE2 GLN B 52 25.034 3.645 8.951 1.00 25.00 N ATOM 0 H GLN B 52 20.607 1.847 9.160 1.00 25.00 H new ATOM 0 HA GLN B 52 23.198 1.510 10.613 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.021 3.619 10.815 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.319 3.421 11.976 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.645 4.164 9.016 1.00 25.00 H new ATOM 0 HG3 GLN B 52 22.833 5.254 10.375 1.00 25.00 H new ATOM 0 HE21 GLN B 52 24.498 3.665 8.084 1.00 25.00 H new ATOM 0 HE22 GLN B 52 26.027 3.412 8.931 1.00 25.00 H new ATOM 653 N GLY B 53 20.668 -0.101 11.039 1.00 25.00 N ATOM 654 CA GLY B 53 19.633 -0.797 11.797 1.00 25.00 C ATOM 655 C GLY B 53 18.286 -0.389 11.171 1.00 25.00 C ATOM 656 O GLY B 53 18.231 0.609 10.455 1.00 25.00 O ATOM 0 H GLY B 53 20.894 -0.519 10.136 1.00 25.00 H new ATOM 0 HA2 GLY B 53 19.774 -1.877 11.746 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.671 -0.520 12.851 1.00 25.00 H new ATOM 660 N PHE B 54 17.179 -1.060 11.499 1.00 25.00 N ATOM 661 CA PHE B 54 15.841 -0.657 10.933 1.00 25.00 C ATOM 662 C PHE B 54 14.910 -0.111 12.021 1.00 25.00 C ATOM 663 O PHE B 54 15.032 1.033 12.425 1.00 25.00 O ATOM 664 CB PHE B 54 15.200 -1.833 10.157 1.00 25.00 C ATOM 665 CG PHE B 54 15.429 -1.818 8.676 1.00 25.00 C ATOM 666 CD1 PHE B 54 16.698 -1.494 8.125 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.379 -2.153 7.797 1.00 25.00 C ATOM 668 CE1 PHE B 54 16.893 -1.491 6.717 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.603 -2.218 6.431 1.00 25.00 C ATOM 670 CZ PHE B 54 15.860 -1.899 5.861 1.00 25.00 C ATOM 0 H PHE B 54 17.155 -1.861 12.130 1.00 25.00 H new ATOM 0 HA PHE B 54 16.004 0.156 10.225 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.589 -2.768 10.560 1.00 25.00 H new ATOM 0 HB3 PHE B 54 14.126 -1.828 10.343 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.520 -1.248 8.781 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.395 -2.360 8.190 1.00 25.00 H new ATOM 0 HE1 PHE B 54 17.840 -1.174 6.305 1.00 25.00 H new ATOM 0 HE2 PHE B 54 13.795 -2.521 5.782 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.019 -1.968 4.795 1.00 25.00 H new ATOM 680 N PHE B 55 14.024 -0.973 12.562 1.00 25.00 N ATOM 681 CA PHE B 55 13.146 -0.568 13.680 1.00 25.00 C ATOM 682 C PHE B 55 13.222 -1.593 14.823 1.00 25.00 C ATOM 683 O PHE B 55 12.273 -1.810 15.539 1.00 25.00 O ATOM 684 CB PHE B 55 11.695 -0.322 13.249 1.00 25.00 C ATOM 685 CG PHE B 55 10.927 0.562 14.166 1.00 25.00 C ATOM 686 CD1 PHE B 55 11.152 1.966 14.184 1.00 25.00 C ATOM 687 CD2 PHE B 55 9.911 0.024 14.964 1.00 25.00 C ATOM 688 CE1 PHE B 55 10.357 2.821 15.006 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.102 0.860 15.765 1.00 25.00 C ATOM 690 CZ PHE B 55 9.346 2.265 15.800 1.00 25.00 C ATOM 0 H PHE B 55 13.898 -1.936 12.250 1.00 25.00 H new ATOM 0 HA PHE B 55 13.518 0.391 14.041 1.00 25.00 H new ATOM 0 HB2 PHE B 55 11.694 0.119 12.252 1.00 25.00 H new ATOM 0 HB3 PHE B 55 11.183 -1.281 13.174 1.00 25.00 H new ATOM 0 HD1 PHE B 55 11.932 2.390 13.569 1.00 25.00 H new ATOM 0 HD2 PHE B 55 9.744 -1.043 14.967 1.00 25.00 H new ATOM 0 HE1 PHE B 55 10.534 3.886 15.015 1.00 25.00 H new ATOM 0 HE2 PHE B 55 8.300 0.436 16.350 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.751 2.900 16.439 1.00 25.00 H new ATOM 700 N TYR B 56 14.413 -2.132 15.007 1.00 25.00 N ATOM 701 CA TYR B 56 14.707 -3.027 16.115 1.00 25.00 C ATOM 702 C TYR B 56 16.148 -2.773 16.477 1.00 25.00 C ATOM 703 O TYR B 56 16.887 -2.383 15.623 1.00 25.00 O ATOM 704 CB TYR B 56 14.471 -4.459 15.673 1.00 25.00 C ATOM 705 CG TYR B 56 15.008 -5.440 16.674 1.00 25.00 C ATOM 706 CD1 TYR B 56 14.287 -5.728 17.860 1.00 25.00 C ATOM 707 CD2 TYR B 56 16.237 -6.117 16.438 1.00 25.00 C ATOM 708 CE1 TYR B 56 14.749 -6.721 18.775 1.00 25.00 C ATOM 709 CE2 TYR B 56 16.715 -7.075 17.354 1.00 25.00 C ATOM 710 CZ TYR B 56 15.951 -7.364 18.522 1.00 25.00 C ATOM 711 OH TYR B 56 16.382 -8.332 19.377 1.00 25.00 O ATOM 0 H TYR B 56 15.208 -1.962 14.391 1.00 25.00 H new ATOM 0 HA TYR B 56 14.069 -2.856 16.982 1.00 25.00 H new ATOM 0 HB2 TYR B 56 13.403 -4.627 15.535 1.00 25.00 H new ATOM 0 HB3 TYR B 56 14.948 -4.626 14.707 1.00 25.00 H new ATOM 0 HD1 TYR B 56 13.376 -5.189 18.074 1.00 25.00 H new ATOM 0 HD2 TYR B 56 16.808 -5.895 15.549 1.00 25.00 H new ATOM 0 HE1 TYR B 56 14.170 -6.968 19.653 1.00 25.00 H new ATOM 0 HE2 TYR B 56 17.650 -7.585 17.173 1.00 25.00 H new ATOM 0 HH TYR B 56 17.239 -8.688 19.063 1.00 25.00 H new ATOM 721 N THR B 57 16.527 -2.988 17.719 1.00 25.00 N ATOM 722 CA THR B 57 17.915 -2.812 18.159 1.00 25.00 C ATOM 723 C THR B 57 18.445 -4.101 18.832 1.00 25.00 C ATOM 724 O THR B 57 17.860 -4.585 19.838 1.00 25.00 O ATOM 725 CB THR B 57 18.098 -1.523 19.064 1.00 25.00 C ATOM 726 OG1 THR B 57 19.482 -1.373 19.376 1.00 25.00 O ATOM 727 CG2 THR B 57 17.304 -1.558 20.388 1.00 25.00 C ATOM 0 H THR B 57 15.892 -3.289 18.458 1.00 25.00 H new ATOM 0 HA THR B 57 18.527 -2.637 17.274 1.00 25.00 H new ATOM 0 HB THR B 57 17.708 -0.686 18.485 1.00 25.00 H new ATOM 0 HG1 THR B 57 19.607 -0.577 19.934 1.00 25.00 H new ATOM 0 HG21 THR B 57 17.486 -0.639 20.946 1.00 25.00 H new ATOM 0 HG22 THR B 57 16.239 -1.647 20.172 1.00 25.00 H new ATOM 0 HG23 THR B 57 17.626 -2.413 20.983 1.00 25.00 H new ATOM 735 N PRO B 58 19.489 -4.733 18.259 1.00 25.00 N ATOM 736 CA PRO B 58 19.930 -5.997 18.922 1.00 25.00 C ATOM 737 C PRO B 58 20.757 -5.746 20.148 1.00 25.00 C ATOM 738 O PRO B 58 21.245 -4.644 20.401 1.00 25.00 O ATOM 739 CB PRO B 58 20.769 -6.654 17.825 1.00 25.00 C ATOM 740 CG PRO B 58 21.409 -5.488 17.177 1.00 25.00 C ATOM 741 CD PRO B 58 20.314 -4.479 17.044 1.00 25.00 C ATOM 0 HA PRO B 58 19.096 -6.602 19.278 1.00 25.00 H new ATOM 0 HB2 PRO B 58 21.505 -7.346 18.235 1.00 25.00 H new ATOM 0 HB3 PRO B 58 20.153 -7.220 17.126 1.00 25.00 H new ATOM 0 HG2 PRO B 58 22.232 -5.102 17.779 1.00 25.00 H new ATOM 0 HG3 PRO B 58 21.823 -5.753 16.204 1.00 25.00 H new ATOM 0 HD2 PRO B 58 20.702 -3.460 17.023 1.00 25.00 H new ATOM 0 HD3 PRO B 58 19.741 -4.621 16.128 1.00 25.00 H new ATOM 749 N LYS B 59 21.058 -6.836 20.857 1.00 25.00 N ATOM 750 CA LYS B 59 21.982 -6.784 21.983 1.00 25.00 C ATOM 751 C LYS B 59 22.892 -7.998 21.860 1.00 25.00 C ATOM 752 O LYS B 59 22.524 -9.107 22.210 1.00 25.00 O ATOM 753 CB LYS B 59 21.158 -6.812 23.277 1.00 25.00 C ATOM 754 CG LYS B 59 22.027 -6.687 24.550 1.00 25.00 C ATOM 755 CD LYS B 59 22.373 -5.270 24.892 1.00 25.00 C ATOM 756 CE LYS B 59 23.347 -5.155 26.063 1.00 25.00 C ATOM 757 NZ LYS B 59 22.801 -5.787 27.340 1.00 25.00 N ATOM 0 H LYS B 59 20.674 -7.762 20.669 1.00 25.00 H new ATOM 0 HA LYS B 59 22.591 -5.880 21.994 1.00 25.00 H new ATOM 0 HB2 LYS B 59 20.433 -5.998 23.257 1.00 25.00 H new ATOM 0 HB3 LYS B 59 20.592 -7.742 23.320 1.00 25.00 H new ATOM 0 HG2 LYS B 59 21.497 -7.137 25.389 1.00 25.00 H new ATOM 0 HG3 LYS B 59 22.947 -7.255 24.411 1.00 25.00 H new ATOM 0 HD2 LYS B 59 22.808 -4.788 24.017 1.00 25.00 H new ATOM 0 HD3 LYS B 59 21.459 -4.728 25.133 1.00 25.00 H new ATOM 0 HE2 LYS B 59 24.288 -5.636 25.797 1.00 25.00 H new ATOM 0 HE3 LYS B 59 23.567 -4.103 26.247 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 23.484 -5.653 28.113 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 21.899 -5.335 27.593 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 22.648 -6.804 27.186 1.00 25.00 H new ATOM 771 N THR B 60 24.026 -7.767 21.199 1.00 25.00 N ATOM 772 CA THR B 60 25.007 -8.848 20.868 1.00 25.00 C ATOM 773 C THR B 60 26.441 -8.354 20.973 1.00 25.00 C ATOM 774 O THR B 60 26.975 -7.626 20.152 1.00 25.00 O ATOM 775 CB THR B 60 24.739 -9.381 19.473 1.00 25.00 C ATOM 776 OG1 THR B 60 23.326 -9.414 19.281 1.00 25.00 O ATOM 777 CG2 THR B 60 25.336 -10.783 19.285 1.00 25.00 C ATOM 778 OXT THR B 60 27.108 -8.818 22.016 1.00 25.00 O ATOM 0 H THR B 60 24.306 -6.842 20.873 1.00 25.00 H new ATOM 0 HA THR B 60 24.879 -9.651 21.594 1.00 25.00 H new ATOM 0 HB THR B 60 25.212 -8.731 18.737 1.00 25.00 H new ATOM 0 HG1 THR B 60 23.126 -9.754 18.384 1.00 25.00 H new ATOM 0 HG21 THR B 60 25.126 -11.135 18.275 1.00 25.00 H new ATOM 0 HG22 THR B 60 26.414 -10.743 19.438 1.00 25.00 H new ATOM 0 HG23 THR B 60 24.892 -11.467 20.008 1.00 25.00 H new TER 787 THR B 60