USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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 4 GLN : amide:sc= 0.444 K(o=1.2,f=-2) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.75 K(o=1.2,f=-4.8!) USER MOD Set 2.1: A 1 GLY N :NH3+ -133:sc= 1.08 (180deg=-0.28) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.378 K(o=1.5,f=-0.27) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 12 SER OG : rot -170:sc= -0.158 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.18) USER MOD Single : A 18 ASN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 19 TYR OH : rot -173:sc= 0.957 USER MOD Single : A 21 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.65) USER MOD Single : B 1 PHE N :NH3+ -112:sc= 0.0967 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.55 K(o=0.55,f=-3.6!) USER MOD Single : B 5 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-5.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.174 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.307) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.753 -1.820 -1.394 1.00 25.00 N ATOM 2 CA GLY A 1 3.963 -0.334 -1.396 1.00 25.00 C ATOM 3 C GLY A 1 3.188 0.326 -2.510 1.00 25.00 C ATOM 4 O GLY A 1 2.890 -0.336 -3.479 1.00 25.00 O ATOM 0 H1 GLY A 1 3.547 -2.140 -0.426 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.953 -2.058 -2.015 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.613 -2.293 -1.740 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.652 0.081 -0.437 1.00 25.00 H new ATOM 0 HA3 GLY A 1 5.025 -0.114 -1.509 1.00 25.00 H new ATOM 10 N ILE A 2 2.834 1.601 -2.393 1.00 25.00 N ATOM 11 CA ILE A 2 1.919 2.214 -3.362 1.00 25.00 C ATOM 12 C ILE A 2 2.475 2.221 -4.799 1.00 25.00 C ATOM 13 O ILE A 2 1.769 1.893 -5.746 1.00 25.00 O ATOM 14 CB ILE A 2 1.482 3.648 -2.886 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.382 4.192 -3.812 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.697 4.622 -2.797 1.00 25.00 C ATOM 17 CD1 ILE A 2 -0.271 5.505 -3.356 1.00 25.00 C ATOM 0 H ILE A 2 3.157 2.224 -1.653 1.00 25.00 H new ATOM 0 HA ILE A 2 1.029 1.586 -3.401 1.00 25.00 H new ATOM 0 HB ILE A 2 1.076 3.569 -1.878 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.807 4.343 -4.804 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.395 3.434 -3.910 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.354 5.602 -2.465 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.425 4.232 -2.085 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.162 4.714 -3.778 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.032 5.802 -4.077 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.733 5.362 -2.379 1.00 25.00 H new ATOM 0 HD13 ILE A 2 0.488 6.284 -3.288 1.00 25.00 H new ATOM 29 N VAL A 3 3.754 2.519 -4.960 1.00 25.00 N ATOM 30 CA VAL A 3 4.370 2.512 -6.288 1.00 25.00 C ATOM 31 C VAL A 3 4.558 1.071 -6.750 1.00 25.00 C ATOM 32 O VAL A 3 4.311 0.726 -7.896 1.00 25.00 O ATOM 33 CB VAL A 3 5.750 3.218 -6.256 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.322 3.363 -7.677 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.620 4.594 -5.579 1.00 25.00 C ATOM 0 H VAL A 3 4.386 2.767 -4.199 1.00 25.00 H new ATOM 0 HA VAL A 3 3.716 3.047 -6.977 1.00 25.00 H new ATOM 0 HB VAL A 3 6.442 2.606 -5.677 1.00 25.00 H new ATOM 0 HG11 VAL A 3 7.290 3.861 -7.630 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.443 2.376 -8.123 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.639 3.955 -8.286 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.594 5.084 -5.560 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.915 5.209 -6.138 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.259 4.465 -4.559 1.00 25.00 H new ATOM 45 N GLU A 4 4.970 0.230 -5.815 1.00 25.00 N ATOM 46 CA GLU A 4 5.237 -1.183 -6.080 1.00 25.00 C ATOM 47 C GLU A 4 4.003 -1.888 -6.632 1.00 25.00 C ATOM 48 O GLU A 4 4.104 -2.694 -7.547 1.00 25.00 O ATOM 49 CB GLU A 4 5.667 -1.844 -4.773 1.00 25.00 C ATOM 50 CG GLU A 4 6.156 -3.278 -4.889 1.00 25.00 C ATOM 51 CD GLU A 4 6.414 -3.894 -3.546 1.00 25.00 C ATOM 52 OE1 GLU A 4 6.083 -3.380 -2.499 1.00 25.00 O ATOM 53 OE2 GLU A 4 7.012 -5.030 -3.605 1.00 25.00 O ATOM 0 H GLU A 4 5.131 0.505 -4.846 1.00 25.00 H new ATOM 0 HA GLU A 4 6.025 -1.262 -6.829 1.00 25.00 H new ATOM 0 HB2 GLU A 4 6.461 -1.244 -4.328 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.825 -1.822 -4.082 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.415 -3.872 -5.424 1.00 25.00 H new ATOM 0 HG3 GLU A 4 7.071 -3.302 -5.481 1.00 25.00 H new ATOM 61 N GLN A 5 2.839 -1.569 -6.085 1.00 25.00 N ATOM 62 CA GLN A 5 1.590 -2.173 -6.531 1.00 25.00 C ATOM 63 C GLN A 5 1.318 -1.867 -8.004 1.00 25.00 C ATOM 64 O GLN A 5 0.889 -2.739 -8.744 1.00 25.00 O ATOM 65 CB GLN A 5 0.437 -1.659 -5.662 1.00 25.00 C ATOM 66 CG GLN A 5 -0.239 -2.746 -4.821 1.00 25.00 C ATOM 67 CD GLN A 5 0.727 -3.485 -3.898 1.00 25.00 C ATOM 68 OE1 GLN A 5 1.516 -2.887 -3.169 1.00 25.00 O ATOM 69 NE2 GLN A 5 0.666 -4.791 -3.929 1.00 25.00 N ATOM 0 H GLN A 5 2.733 -0.893 -5.329 1.00 25.00 H new ATOM 0 HA GLN A 5 1.673 -3.255 -6.428 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.814 -0.882 -4.998 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.310 -1.194 -6.305 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.028 -2.293 -4.221 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.717 -3.465 -5.486 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.000 -5.256 -4.546 1.00 25.00 H new ATOM 0 HE22 GLN A 5 1.285 -5.345 -3.337 1.00 25.00 H new ATOM 78 N CYS A 6 1.611 -0.649 -8.435 1.00 25.00 N ATOM 79 CA CYS A 6 1.397 -0.268 -9.832 1.00 25.00 C ATOM 80 C CYS A 6 2.488 -0.839 -10.743 1.00 25.00 C ATOM 81 O CYS A 6 2.261 -1.106 -11.925 1.00 25.00 O ATOM 82 CB CYS A 6 1.346 1.255 -9.952 1.00 25.00 C ATOM 83 SG CYS A 6 0.079 1.843 -11.121 1.00 25.00 S ATOM 0 H CYS A 6 1.995 0.090 -7.847 1.00 25.00 H new ATOM 0 HA CYS A 6 0.445 -0.687 -10.157 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.151 1.684 -8.969 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.322 1.620 -10.271 1.00 25.00 H new ATOM 88 N CYS A 7 3.665 -1.065 -10.180 1.00 25.00 N ATOM 89 CA CYS A 7 4.756 -1.672 -10.928 1.00 25.00 C ATOM 90 C CYS A 7 4.464 -3.150 -11.206 1.00 25.00 C ATOM 91 O CYS A 7 4.737 -3.645 -12.291 1.00 25.00 O ATOM 92 CB CYS A 7 6.075 -1.561 -10.153 1.00 25.00 C ATOM 93 SG CYS A 7 6.721 0.141 -10.047 1.00 25.00 S ATOM 0 H CYS A 7 3.889 -0.838 -9.211 1.00 25.00 H new ATOM 0 HA CYS A 7 4.847 -1.136 -11.873 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.927 -1.948 -9.145 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.822 -2.195 -10.631 1.00 25.00 H new ATOM 98 N THR A 8 3.946 -3.857 -10.208 1.00 25.00 N ATOM 99 CA THR A 8 3.701 -5.300 -10.332 1.00 25.00 C ATOM 100 C THR A 8 2.324 -5.651 -10.917 1.00 25.00 C ATOM 101 O THR A 8 2.139 -6.729 -11.477 1.00 25.00 O ATOM 102 CB THR A 8 3.914 -6.020 -8.962 1.00 25.00 C ATOM 103 OG1 THR A 8 4.027 -7.427 -9.172 1.00 25.00 O ATOM 104 CG2 THR A 8 2.771 -5.776 -7.992 1.00 25.00 C ATOM 0 H THR A 8 3.686 -3.461 -9.304 1.00 25.00 H new ATOM 0 HA THR A 8 4.435 -5.663 -11.051 1.00 25.00 H new ATOM 0 HB THR A 8 4.826 -5.610 -8.528 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.162 -7.876 -8.312 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.970 -6.299 -7.056 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.680 -4.707 -7.798 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.842 -6.147 -8.424 1.00 25.00 H new ATOM 112 N SER A 9 1.351 -4.756 -10.808 1.00 25.00 N ATOM 113 CA SER A 9 0.005 -5.037 -11.305 1.00 25.00 C ATOM 114 C SER A 9 -0.575 -3.839 -12.041 1.00 25.00 C ATOM 115 O SER A 9 -0.072 -2.741 -11.932 1.00 25.00 O ATOM 116 CB SER A 9 -0.907 -5.440 -10.146 1.00 25.00 C ATOM 117 OG SER A 9 -0.397 -6.593 -9.500 1.00 25.00 O ATOM 0 H SER A 9 1.464 -3.835 -10.384 1.00 25.00 H new ATOM 0 HA SER A 9 0.071 -5.863 -12.013 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.985 -4.619 -9.433 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.913 -5.637 -10.517 1.00 25.00 H new ATOM 0 HG SER A 9 -0.988 -6.841 -8.759 1.00 25.00 H new ATOM 123 N ILE A 10 -1.560 -4.078 -12.892 1.00 25.00 N ATOM 124 CA ILE A 10 -2.094 -3.017 -13.745 1.00 25.00 C ATOM 125 C ILE A 10 -3.036 -2.125 -12.946 1.00 25.00 C ATOM 126 O ILE A 10 -4.079 -2.571 -12.476 1.00 25.00 O ATOM 127 CB ILE A 10 -2.861 -3.599 -14.978 1.00 25.00 C ATOM 128 CG1 ILE A 10 -1.882 -4.292 -15.940 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.564 -2.484 -15.767 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.085 -5.788 -16.103 1.00 25.00 C ATOM 0 H ILE A 10 -2.006 -4.987 -13.014 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.248 -2.434 -14.109 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.594 -4.308 -14.593 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.966 -3.821 -16.920 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -0.866 -4.116 -15.588 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.089 -2.916 -16.619 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.279 -1.975 -15.120 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.823 -1.768 -16.123 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.346 -6.182 -16.801 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.969 -6.278 -15.136 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -3.086 -5.979 -16.489 1.00 25.00 H new ATOM 142 N CYS A 11 -2.689 -0.853 -12.849 1.00 25.00 N ATOM 143 CA CYS A 11 -3.593 0.130 -12.281 1.00 25.00 C ATOM 144 C CYS A 11 -4.537 0.556 -13.397 1.00 25.00 C ATOM 145 O CYS A 11 -4.090 0.954 -14.473 1.00 25.00 O ATOM 146 CB CYS A 11 -2.827 1.356 -11.787 1.00 25.00 C ATOM 147 SG CYS A 11 -1.649 1.019 -10.445 1.00 25.00 S ATOM 0 H CYS A 11 -1.791 -0.478 -13.155 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.127 -0.299 -11.433 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.286 1.793 -12.626 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.544 2.103 -11.445 1.00 25.00 H new ATOM 152 N SER A 12 -5.834 0.500 -13.144 1.00 25.00 N ATOM 153 CA SER A 12 -6.805 1.025 -14.096 1.00 25.00 C ATOM 154 C SER A 12 -6.749 2.538 -13.941 1.00 25.00 C ATOM 155 O SER A 12 -6.164 3.036 -12.980 1.00 25.00 O ATOM 156 CB SER A 12 -8.207 0.509 -13.777 1.00 25.00 C ATOM 157 OG SER A 12 -8.626 0.967 -12.504 1.00 25.00 O ATOM 0 H SER A 12 -6.238 0.101 -12.297 1.00 25.00 H new ATOM 0 HA SER A 12 -6.578 0.712 -15.115 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.908 0.847 -14.540 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.213 -0.581 -13.798 1.00 25.00 H new ATOM 0 HG SER A 12 -9.451 0.505 -12.246 1.00 25.00 H new ATOM 163 N LEU A 13 -7.379 3.279 -14.843 1.00 25.00 N ATOM 164 CA LEU A 13 -7.376 4.739 -14.745 1.00 25.00 C ATOM 165 C LEU A 13 -7.990 5.210 -13.420 1.00 25.00 C ATOM 166 O LEU A 13 -7.575 6.212 -12.869 1.00 25.00 O ATOM 167 CB LEU A 13 -8.104 5.363 -15.948 1.00 25.00 C ATOM 168 CG LEU A 13 -9.630 5.187 -16.047 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.355 6.418 -15.504 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.034 4.950 -17.499 1.00 25.00 C ATOM 0 H LEU A 13 -7.892 2.904 -15.641 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.340 5.077 -14.762 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.892 6.432 -15.947 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.662 4.951 -16.855 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.915 4.323 -15.446 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.432 6.271 -15.584 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.086 6.567 -14.458 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.065 7.296 -16.082 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.115 4.826 -17.560 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.731 5.804 -18.105 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.544 4.050 -17.871 1.00 25.00 H new ATOM 182 N TYR A 14 -8.931 4.448 -12.887 1.00 25.00 N ATOM 183 CA TYR A 14 -9.574 4.794 -11.622 1.00 25.00 C ATOM 184 C TYR A 14 -8.600 4.662 -10.455 1.00 25.00 C ATOM 185 O TYR A 14 -8.569 5.494 -9.563 1.00 25.00 O ATOM 186 CB TYR A 14 -10.779 3.880 -11.400 1.00 25.00 C ATOM 187 CG TYR A 14 -11.636 3.748 -12.639 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.520 4.778 -13.021 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.560 2.594 -13.448 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.308 4.661 -14.199 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.344 2.476 -14.627 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.205 3.513 -14.992 1.00 25.00 C ATOM 193 OH TYR A 14 -13.953 3.398 -16.136 1.00 25.00 O ATOM 0 H TYR A 14 -9.270 3.583 -13.309 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.901 5.833 -11.672 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.432 2.893 -11.094 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.384 4.272 -10.583 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.600 5.666 -12.412 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.897 1.789 -13.167 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.983 5.455 -14.480 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.274 1.588 -15.238 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.760 2.540 -16.568 1.00 25.00 H new ATOM 203 N GLN A 15 -7.765 3.635 -10.495 1.00 25.00 N ATOM 204 CA GLN A 15 -6.758 3.435 -9.455 1.00 25.00 C ATOM 205 C GLN A 15 -5.694 4.514 -9.577 1.00 25.00 C ATOM 206 O GLN A 15 -5.197 5.034 -8.585 1.00 25.00 O ATOM 207 CB GLN A 15 -6.106 2.057 -9.594 1.00 25.00 C ATOM 208 CG GLN A 15 -7.075 0.890 -9.441 1.00 25.00 C ATOM 209 CD GLN A 15 -7.706 0.826 -8.063 1.00 25.00 C ATOM 210 OE1 GLN A 15 -8.720 1.444 -7.812 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.114 0.068 -7.178 1.00 25.00 N ATOM 0 H GLN A 15 -7.761 2.929 -11.231 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.241 3.494 -8.479 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.626 1.991 -10.571 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.319 1.962 -8.845 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.861 0.975 -10.192 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.547 -0.043 -9.637 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -6.263 -0.436 -7.426 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -7.503 -0.019 -6.239 1.00 25.00 H new ATOM 220 N LEU A 16 -5.375 4.870 -10.812 1.00 25.00 N ATOM 221 CA LEU A 16 -4.411 5.931 -11.095 1.00 25.00 C ATOM 222 C LEU A 16 -4.872 7.291 -10.568 1.00 25.00 C ATOM 223 O LEU A 16 -4.045 8.096 -10.173 1.00 25.00 O ATOM 224 CB LEU A 16 -4.091 6.001 -12.592 1.00 25.00 C ATOM 225 CG LEU A 16 -3.172 4.877 -13.106 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.088 4.910 -14.620 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.751 4.983 -12.528 1.00 25.00 C ATOM 0 H LEU A 16 -5.773 4.436 -11.645 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.495 5.677 -10.561 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.026 5.972 -13.151 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.622 6.962 -12.805 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.611 3.936 -12.775 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.435 4.109 -14.966 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.083 4.774 -15.043 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.685 5.871 -14.941 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.138 4.170 -12.918 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.312 5.938 -12.815 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.794 4.916 -11.441 1.00 25.00 H new ATOM 239 N GLU A 17 -6.173 7.553 -10.540 1.00 25.00 N ATOM 240 CA GLU A 17 -6.678 8.824 -9.993 1.00 25.00 C ATOM 241 C GLU A 17 -6.263 9.049 -8.531 1.00 25.00 C ATOM 242 O GLU A 17 -6.147 10.180 -8.104 1.00 25.00 O ATOM 243 CB GLU A 17 -8.205 8.904 -10.091 1.00 25.00 C ATOM 244 CG GLU A 17 -8.720 9.181 -11.492 1.00 25.00 C ATOM 245 CD GLU A 17 -10.210 9.352 -11.536 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.755 10.391 -11.770 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.864 8.265 -11.309 1.00 25.00 O ATOM 0 H GLU A 17 -6.895 6.919 -10.882 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.226 9.607 -10.602 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.631 7.965 -9.737 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.561 9.688 -9.422 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.243 10.082 -11.879 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.433 8.361 -12.150 1.00 25.00 H new ATOM 255 N ASN A 18 -5.971 7.992 -7.786 1.00 25.00 N ATOM 256 CA ASN A 18 -5.487 8.140 -6.402 1.00 25.00 C ATOM 257 C ASN A 18 -4.138 8.871 -6.350 1.00 25.00 C ATOM 258 O ASN A 18 -3.792 9.487 -5.353 1.00 25.00 O ATOM 259 CB ASN A 18 -5.356 6.780 -5.715 1.00 25.00 C ATOM 260 CG ASN A 18 -6.690 6.130 -5.465 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.482 6.604 -4.674 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.946 5.047 -6.142 1.00 25.00 N ATOM 0 H ASN A 18 -6.057 7.027 -8.104 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.228 8.738 -5.871 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.745 6.122 -6.333 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.833 6.904 -4.767 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.837 4.566 -6.017 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.256 4.680 -6.797 1.00 25.00 H new ATOM 269 N TYR A 19 -3.359 8.738 -7.415 1.00 25.00 N ATOM 270 CA TYR A 19 -2.031 9.349 -7.519 1.00 25.00 C ATOM 271 C TYR A 19 -2.137 10.763 -8.114 1.00 25.00 C ATOM 272 O TYR A 19 -1.131 11.422 -8.371 1.00 25.00 O ATOM 273 CB TYR A 19 -1.175 8.547 -8.487 1.00 25.00 C ATOM 274 CG TYR A 19 -0.941 7.119 -8.089 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.931 6.142 -8.295 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.277 6.730 -7.518 1.00 25.00 C ATOM 277 CE1 TYR A 19 -1.712 4.805 -7.943 1.00 25.00 C ATOM 278 CE2 TYR A 19 0.509 5.387 -7.170 1.00 25.00 C ATOM 279 CZ TYR A 19 -0.494 4.426 -7.389 1.00 25.00 C ATOM 280 OH TYR A 19 -0.315 3.103 -7.068 1.00 25.00 O ATOM 0 H TYR A 19 -3.628 8.201 -8.239 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.598 9.375 -6.519 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.650 8.562 -9.468 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.210 9.043 -8.592 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.876 6.428 -8.732 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.046 7.468 -7.343 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -2.487 4.070 -8.101 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.454 5.095 -6.736 1.00 25.00 H new ATOM 0 HH TYR A 19 0.536 2.993 -6.595 1.00 25.00 H new ATOM 290 N CYS A 20 -3.349 11.147 -8.490 1.00 25.00 N ATOM 291 CA CYS A 20 -3.564 12.307 -9.352 1.00 25.00 C ATOM 292 C CYS A 20 -4.488 13.354 -8.729 1.00 25.00 C ATOM 293 O CYS A 20 -5.598 13.078 -8.289 1.00 25.00 O ATOM 294 CB CYS A 20 -4.092 11.804 -10.710 1.00 25.00 C ATOM 295 SG CYS A 20 -5.545 12.663 -11.403 1.00 25.00 S ATOM 0 H CYS A 20 -4.206 10.670 -8.210 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.614 12.824 -9.490 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -3.281 11.872 -11.435 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.340 10.748 -10.607 1.00 25.00 H new ATOM 300 N ASN A 21 -3.984 14.589 -8.675 1.00 25.00 N ATOM 301 CA ASN A 21 -4.707 15.746 -8.137 1.00 25.00 C ATOM 302 C ASN A 21 -4.090 17.041 -8.666 1.00 25.00 C ATOM 303 O ASN A 21 -2.904 17.160 -8.895 1.00 25.00 O ATOM 304 CB ASN A 21 -4.724 15.742 -6.590 1.00 25.00 C ATOM 305 CG ASN A 21 -5.811 16.643 -6.076 1.00 25.00 C ATOM 306 OD1 ASN A 21 -6.513 17.317 -6.791 1.00 25.00 O ATOM 307 ND2 ASN A 21 -5.978 16.658 -4.762 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.948 18.000 -8.865 1.00 25.00 O ATOM 0 H ASN A 21 -3.048 14.818 -9.009 1.00 25.00 H new ATOM 0 HA ASN A 21 -5.742 15.681 -8.473 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -4.881 14.727 -6.224 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.758 16.073 -6.208 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -6.704 17.242 -4.347 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -5.381 16.086 -4.165 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -7.315 4.003 -23.052 1.00 25.00 N ATOM 318 CA PHE B 1 -6.347 3.394 -22.096 1.00 25.00 C ATOM 319 C PHE B 1 -6.194 1.916 -22.396 1.00 25.00 C ATOM 320 O PHE B 1 -7.122 1.319 -22.910 1.00 25.00 O ATOM 321 CB PHE B 1 -6.852 3.594 -20.659 1.00 25.00 C ATOM 322 CG PHE B 1 -5.788 3.412 -19.608 1.00 25.00 C ATOM 323 CD1 PHE B 1 -4.957 4.490 -19.242 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.614 2.168 -18.971 1.00 25.00 C ATOM 325 CE1 PHE B 1 -3.952 4.327 -18.257 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.612 1.994 -17.985 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.779 3.074 -17.633 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.813 4.658 -23.685 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.764 3.253 -23.616 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.044 4.523 -22.524 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.376 3.877 -22.202 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.272 4.596 -20.568 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.662 2.890 -20.468 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.088 5.451 -19.718 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.251 1.338 -19.237 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.320 5.160 -17.985 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.487 1.035 -17.504 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.009 2.943 -16.887 1.00 25.00 H new ATOM 339 N VAL B 2 -5.034 1.335 -22.116 1.00 25.00 N ATOM 340 CA VAL B 2 -4.789 -0.085 -22.385 1.00 25.00 C ATOM 341 C VAL B 2 -4.026 -0.645 -21.187 1.00 25.00 C ATOM 342 O VAL B 2 -3.243 0.074 -20.561 1.00 25.00 O ATOM 343 CB VAL B 2 -4.011 -0.294 -23.737 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.587 0.286 -23.669 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.960 -1.779 -24.120 1.00 25.00 C ATOM 0 H VAL B 2 -4.241 1.824 -21.700 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.731 -0.619 -22.509 1.00 25.00 H new ATOM 0 HB VAL B 2 -4.559 0.247 -24.509 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.082 0.122 -24.621 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.639 1.355 -23.465 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -2.030 -0.209 -22.873 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.417 -1.894 -25.058 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -3.452 -2.340 -23.335 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.975 -2.159 -24.239 1.00 25.00 H new ATOM 355 N ASN B 3 -4.308 -1.885 -20.815 1.00 25.00 N ATOM 356 CA ASN B 3 -3.653 -2.508 -19.671 1.00 25.00 C ATOM 357 C ASN B 3 -2.166 -2.684 -19.887 1.00 25.00 C ATOM 358 O ASN B 3 -1.727 -3.320 -20.836 1.00 25.00 O ATOM 359 CB ASN B 3 -4.225 -3.901 -19.362 1.00 25.00 C ATOM 360 CG ASN B 3 -4.456 -4.740 -20.611 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.263 -4.394 -21.463 1.00 25.00 O ATOM 362 ND2 ASN B 3 -3.777 -5.849 -20.707 1.00 25.00 N ATOM 0 H ASN B 3 -4.987 -2.481 -21.288 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.838 -1.827 -18.840 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.541 -4.429 -18.698 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.168 -3.790 -18.826 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -3.910 -6.461 -21.512 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -3.112 -6.105 -19.977 1.00 25.00 H new ATOM 369 N GLN B 4 -1.400 -2.178 -18.939 1.00 25.00 N ATOM 370 CA GLN B 4 0.031 -2.384 -18.890 1.00 25.00 C ATOM 371 C GLN B 4 0.410 -2.090 -17.451 1.00 25.00 C ATOM 372 O GLN B 4 -0.236 -1.279 -16.794 1.00 25.00 O ATOM 373 CB GLN B 4 0.758 -1.434 -19.855 1.00 25.00 C ATOM 374 CG GLN B 4 0.349 0.032 -19.715 1.00 25.00 C ATOM 375 CD GLN B 4 1.045 0.927 -20.706 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.125 1.441 -20.445 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.434 1.131 -21.840 1.00 25.00 N ATOM 0 H GLN B 4 -1.760 -1.607 -18.174 1.00 25.00 H new ATOM 0 HA GLN B 4 0.312 -3.392 -19.193 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.832 -1.518 -19.690 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.567 -1.757 -20.878 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.729 0.118 -19.849 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.573 0.373 -18.704 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.465 0.685 -22.022 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.855 1.736 -22.545 1.00 25.00 H new ATOM 386 N HIS B 5 1.431 -2.757 -16.951 1.00 25.00 N ATOM 387 CA HIS B 5 1.970 -2.429 -15.628 1.00 25.00 C ATOM 388 C HIS B 5 2.686 -1.085 -15.732 1.00 25.00 C ATOM 389 O HIS B 5 3.241 -0.765 -16.784 1.00 25.00 O ATOM 390 CB HIS B 5 2.926 -3.517 -15.156 1.00 25.00 C ATOM 391 CG HIS B 5 2.269 -4.852 -15.007 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.100 -5.041 -14.295 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.581 -6.080 -15.480 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.751 -6.320 -14.367 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.636 -6.961 -15.063 1.00 25.00 N ATOM 0 H HIS B 5 1.906 -3.523 -17.428 1.00 25.00 H new ATOM 0 HA HIS B 5 1.164 -2.365 -14.897 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.749 -3.601 -15.865 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.358 -3.223 -14.200 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.440 -6.320 -16.089 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.129 -6.756 -13.918 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.625 -7.961 -15.264 1.00 25.00 H new ATOM 404 N LEU B 6 2.642 -0.292 -14.672 1.00 25.00 N ATOM 405 CA LEU B 6 3.190 1.063 -14.694 1.00 25.00 C ATOM 406 C LEU B 6 4.292 1.247 -13.665 1.00 25.00 C ATOM 407 O LEU B 6 4.037 1.341 -12.471 1.00 25.00 O ATOM 408 CB LEU B 6 2.089 2.085 -14.400 1.00 25.00 C ATOM 409 CG LEU B 6 1.062 2.508 -15.471 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.557 2.331 -16.909 1.00 25.00 C ATOM 411 CD2 LEU B 6 -0.246 1.758 -15.269 1.00 25.00 C ATOM 0 H LEU B 6 2.230 -0.562 -13.779 1.00 25.00 H new ATOM 0 HA LEU B 6 3.605 1.219 -15.690 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.520 1.700 -13.553 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.586 2.995 -14.063 1.00 25.00 H new ATOM 0 HG LEU B 6 0.906 3.578 -15.335 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.779 2.650 -17.603 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.451 2.935 -17.063 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.794 1.282 -17.086 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.963 2.065 -16.031 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -0.067 0.686 -15.350 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.647 1.985 -14.281 1.00 25.00 H new ATOM 423 N CYS B 7 5.519 1.350 -14.147 1.00 25.00 N ATOM 424 CA CYS B 7 6.671 1.570 -13.283 1.00 25.00 C ATOM 425 C CYS B 7 7.617 2.536 -13.980 1.00 25.00 C ATOM 426 O CYS B 7 7.604 2.631 -15.210 1.00 25.00 O ATOM 427 CB CYS B 7 7.379 0.241 -13.012 1.00 25.00 C ATOM 428 SG CYS B 7 8.233 0.178 -11.404 1.00 25.00 S ATOM 0 H CYS B 7 5.746 1.284 -15.139 1.00 25.00 H new ATOM 0 HA CYS B 7 6.350 1.990 -12.329 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.647 -0.566 -13.056 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.104 0.058 -13.805 1.00 25.00 H new ATOM 433 N GLY B 8 8.422 3.258 -13.217 1.00 25.00 N ATOM 434 CA GLY B 8 9.348 4.209 -13.813 1.00 25.00 C ATOM 435 C GLY B 8 8.612 5.294 -14.576 1.00 25.00 C ATOM 436 O GLY B 8 7.515 5.702 -14.193 1.00 25.00 O ATOM 0 H GLY B 8 8.454 3.206 -12.199 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.959 4.662 -13.032 1.00 25.00 H new ATOM 0 HA3 GLY B 8 10.027 3.685 -14.486 1.00 25.00 H new ATOM 440 N SER B 9 9.185 5.730 -15.688 1.00 25.00 N ATOM 441 CA SER B 9 8.580 6.762 -16.525 1.00 25.00 C ATOM 442 C SER B 9 7.199 6.374 -17.056 1.00 25.00 C ATOM 443 O SER B 9 6.358 7.233 -17.283 1.00 25.00 O ATOM 444 CB SER B 9 9.513 7.044 -17.697 1.00 25.00 C ATOM 445 OG SER B 9 10.683 6.247 -17.569 1.00 25.00 O ATOM 0 H SER B 9 10.078 5.382 -16.037 1.00 25.00 H new ATOM 0 HA SER B 9 8.439 7.648 -15.905 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.010 6.823 -18.638 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.780 8.101 -17.718 1.00 25.00 H new ATOM 0 HG SER B 9 11.284 6.425 -18.322 1.00 25.00 H new ATOM 451 N HIS B 10 6.943 5.082 -17.220 1.00 25.00 N ATOM 452 CA HIS B 10 5.634 4.632 -17.709 1.00 25.00 C ATOM 453 C HIS B 10 4.517 5.048 -16.758 1.00 25.00 C ATOM 454 O HIS B 10 3.406 5.321 -17.194 1.00 25.00 O ATOM 455 CB HIS B 10 5.616 3.112 -17.897 1.00 25.00 C ATOM 456 CG HIS B 10 5.819 2.680 -19.315 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.780 2.258 -20.147 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.938 2.576 -20.082 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.282 1.933 -21.328 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.575 2.118 -21.311 1.00 25.00 N ATOM 0 H HIS B 10 7.609 4.334 -17.027 1.00 25.00 H new ATOM 0 HA HIS B 10 5.464 5.110 -18.674 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.394 2.669 -17.276 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.663 2.722 -17.540 1.00 25.00 H new ATOM 0 HD1 HIS B 10 3.795 2.208 -19.887 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.943 2.816 -19.769 1.00 25.00 H new ATOM 0 HE1 HIS B 10 4.713 1.572 -22.172 1.00 25.00 H new ATOM 469 N LEU B 11 4.812 5.112 -15.466 1.00 25.00 N ATOM 470 CA LEU B 11 3.803 5.496 -14.482 1.00 25.00 C ATOM 471 C LEU B 11 3.390 6.949 -14.649 1.00 25.00 C ATOM 472 O LEU B 11 2.204 7.251 -14.700 1.00 25.00 O ATOM 473 CB LEU B 11 4.332 5.252 -13.060 1.00 25.00 C ATOM 474 CG LEU B 11 3.410 5.618 -11.879 1.00 25.00 C ATOM 475 CD1 LEU B 11 2.050 4.931 -11.938 1.00 25.00 C ATOM 476 CD2 LEU B 11 4.112 5.228 -10.582 1.00 25.00 C ATOM 0 H LEU B 11 5.732 4.906 -15.076 1.00 25.00 H new ATOM 0 HA LEU B 11 2.920 4.878 -14.646 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.585 4.195 -12.973 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.260 5.812 -12.947 1.00 25.00 H new ATOM 0 HG LEU B 11 3.221 6.690 -11.931 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.452 5.233 -11.078 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.537 5.219 -12.855 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.188 3.850 -11.923 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.475 5.479 -9.734 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.309 4.156 -10.583 1.00 25.00 H new ATOM 0 HD23 LEU B 11 5.054 5.770 -10.501 1.00 25.00 H new ATOM 488 N VAL B 12 4.352 7.849 -14.767 1.00 25.00 N ATOM 489 CA VAL B 12 4.016 9.267 -14.890 1.00 25.00 C ATOM 490 C VAL B 12 3.403 9.560 -16.260 1.00 25.00 C ATOM 491 O VAL B 12 2.520 10.394 -16.373 1.00 25.00 O ATOM 492 CB VAL B 12 5.237 10.197 -14.583 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.727 9.959 -13.141 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.395 9.979 -15.558 1.00 25.00 C ATOM 0 H VAL B 12 5.350 7.636 -14.781 1.00 25.00 H new ATOM 0 HA VAL B 12 3.266 9.493 -14.132 1.00 25.00 H new ATOM 0 HB VAL B 12 4.896 11.226 -14.701 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.577 10.609 -12.934 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.921 10.181 -12.442 1.00 25.00 H new ATOM 0 HG13 VAL B 12 6.030 8.918 -13.027 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.217 10.648 -15.302 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.735 8.945 -15.494 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.060 10.188 -16.574 1.00 25.00 H new ATOM 504 N GLU B 13 3.799 8.813 -17.284 1.00 25.00 N ATOM 505 CA GLU B 13 3.211 8.977 -18.615 1.00 25.00 C ATOM 506 C GLU B 13 1.731 8.605 -18.588 1.00 25.00 C ATOM 507 O GLU B 13 0.903 9.278 -19.193 1.00 25.00 O ATOM 508 CB GLU B 13 3.939 8.103 -19.638 1.00 25.00 C ATOM 509 CG GLU B 13 5.293 8.662 -20.062 1.00 25.00 C ATOM 510 CD GLU B 13 6.025 7.749 -21.003 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.233 7.999 -22.147 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.407 6.642 -20.468 1.00 25.00 O ATOM 0 H GLU B 13 4.519 8.093 -17.223 1.00 25.00 H new ATOM 0 HA GLU B 13 3.315 10.022 -18.906 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.081 7.107 -19.218 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.309 7.989 -20.520 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.148 9.631 -20.540 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.905 8.832 -19.176 1.00 25.00 H new ATOM 520 N ALA B 14 1.391 7.549 -17.866 1.00 25.00 N ATOM 521 CA ALA B 14 0.002 7.138 -17.744 1.00 25.00 C ATOM 522 C ALA B 14 -0.786 8.186 -16.958 1.00 25.00 C ATOM 523 O ALA B 14 -1.929 8.482 -17.279 1.00 25.00 O ATOM 524 CB ALA B 14 -0.075 5.790 -17.052 1.00 25.00 C ATOM 0 H ALA B 14 2.054 6.964 -17.358 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.435 7.048 -18.739 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.118 5.486 -16.963 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.470 5.049 -17.637 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.367 5.865 -16.059 1.00 25.00 H new ATOM 530 N LEU B 15 -0.167 8.743 -15.928 1.00 25.00 N ATOM 531 CA LEU B 15 -0.829 9.734 -15.086 1.00 25.00 C ATOM 532 C LEU B 15 -1.140 11.029 -15.823 1.00 25.00 C ATOM 533 O LEU B 15 -2.166 11.650 -15.553 1.00 25.00 O ATOM 534 CB LEU B 15 0.023 10.024 -13.847 1.00 25.00 C ATOM 535 CG LEU B 15 -0.023 8.920 -12.784 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.068 9.116 -11.733 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.382 8.910 -12.106 1.00 25.00 C ATOM 0 H LEU B 15 0.791 8.528 -15.653 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.785 9.305 -14.787 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.057 10.172 -14.157 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.313 10.959 -13.399 1.00 25.00 H new ATOM 0 HG LEU B 15 0.148 7.966 -13.284 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.009 8.317 -10.994 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.046 9.093 -12.215 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.929 10.078 -11.240 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.407 8.123 -11.352 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.558 9.874 -11.630 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.158 8.725 -12.849 1.00 25.00 H new ATOM 549 N TYR B 16 -0.324 11.396 -16.805 1.00 25.00 N ATOM 550 CA TYR B 16 -0.622 12.571 -17.631 1.00 25.00 C ATOM 551 C TYR B 16 -1.938 12.374 -18.369 1.00 25.00 C ATOM 552 O TYR B 16 -2.701 13.310 -18.540 1.00 25.00 O ATOM 553 CB TYR B 16 0.485 12.835 -18.661 1.00 25.00 C ATOM 554 CG TYR B 16 1.649 13.631 -18.114 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.501 14.999 -17.803 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.907 13.029 -17.900 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.585 15.748 -17.275 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.993 13.776 -17.371 1.00 25.00 C ATOM 559 CZ TYR B 16 3.816 15.127 -17.059 1.00 25.00 C ATOM 560 OH TYR B 16 4.855 15.855 -16.537 1.00 25.00 O ATOM 0 H TYR B 16 0.538 10.908 -17.050 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.689 13.428 -16.961 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.854 11.881 -19.037 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.059 13.369 -19.510 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.550 15.483 -17.969 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.046 11.986 -18.142 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.458 16.795 -17.041 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.950 13.303 -17.211 1.00 25.00 H new ATOM 0 HH TYR B 16 5.644 15.280 -16.445 1.00 25.00 H new ATOM 570 N LEU B 17 -2.216 11.154 -18.800 1.00 25.00 N ATOM 571 CA LEU B 17 -3.470 10.878 -19.497 1.00 25.00 C ATOM 572 C LEU B 17 -4.669 10.912 -18.558 1.00 25.00 C ATOM 573 O LEU B 17 -5.742 11.371 -18.924 1.00 25.00 O ATOM 574 CB LEU B 17 -3.432 9.499 -20.148 1.00 25.00 C ATOM 575 CG LEU B 17 -2.328 9.236 -21.184 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.343 7.752 -21.565 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.506 10.097 -22.435 1.00 25.00 C ATOM 0 H LEU B 17 -1.603 10.347 -18.684 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.578 11.659 -20.249 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.335 8.756 -19.357 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.394 9.328 -20.630 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.369 9.502 -20.738 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.562 7.557 -22.300 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.164 7.146 -20.677 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.313 7.495 -21.990 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.705 9.881 -23.142 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.468 9.874 -22.896 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.472 11.151 -22.159 1.00 25.00 H new ATOM 589 N VAL B 18 -4.498 10.357 -17.368 1.00 25.00 N ATOM 590 CA VAL B 18 -5.606 10.212 -16.419 1.00 25.00 C ATOM 591 C VAL B 18 -5.968 11.542 -15.776 1.00 25.00 C ATOM 592 O VAL B 18 -7.143 11.877 -15.631 1.00 25.00 O ATOM 593 CB VAL B 18 -5.243 9.176 -15.317 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.347 9.067 -14.263 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.016 7.812 -15.960 1.00 25.00 C ATOM 0 H VAL B 18 -3.605 9.998 -17.031 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.473 9.858 -16.977 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.334 9.514 -14.819 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.059 8.334 -13.509 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.494 10.037 -13.789 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.275 8.752 -14.740 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.761 7.084 -15.189 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.925 7.495 -16.472 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.199 7.880 -16.679 1.00 25.00 H new ATOM 605 N CYS B 19 -4.965 12.313 -15.398 1.00 25.00 N ATOM 606 CA CYS B 19 -5.227 13.596 -14.769 1.00 25.00 C ATOM 607 C CYS B 19 -5.387 14.702 -15.807 1.00 25.00 C ATOM 608 O CYS B 19 -5.906 15.780 -15.499 1.00 25.00 O ATOM 609 CB CYS B 19 -4.127 13.954 -13.775 1.00 25.00 C ATOM 610 SG CYS B 19 -4.796 14.399 -12.136 1.00 25.00 S ATOM 0 H CYS B 19 -3.978 12.080 -15.512 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.167 13.506 -14.224 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.446 13.110 -13.670 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.544 14.788 -14.166 1.00 25.00 H new ATOM 615 N GLY B 20 -4.969 14.441 -17.036 1.00 25.00 N ATOM 616 CA GLY B 20 -5.059 15.453 -18.069 1.00 25.00 C ATOM 617 C GLY B 20 -4.112 16.607 -17.792 1.00 25.00 C ATOM 618 O GLY B 20 -3.088 16.458 -17.125 1.00 25.00 O ATOM 0 H GLY B 20 -4.571 13.551 -17.336 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.823 15.010 -19.037 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.082 15.825 -18.129 1.00 25.00 H new ATOM 622 N GLU B 21 -4.483 17.780 -18.284 1.00 25.00 N ATOM 623 CA GLU B 21 -3.673 18.994 -18.144 1.00 25.00 C ATOM 624 C GLU B 21 -3.544 19.497 -16.690 1.00 25.00 C ATOM 625 O GLU B 21 -2.783 20.416 -16.415 1.00 25.00 O ATOM 626 CB GLU B 21 -4.296 20.086 -19.026 1.00 25.00 C ATOM 627 CG GLU B 21 -3.345 21.220 -19.428 1.00 25.00 C ATOM 628 CD GLU B 21 -4.003 22.225 -20.331 1.00 25.00 C ATOM 629 OE1 GLU B 21 -5.149 22.170 -20.670 1.00 25.00 O ATOM 630 OE2 GLU B 21 -3.212 23.160 -20.724 1.00 25.00 O ATOM 0 H GLU B 21 -5.355 17.923 -18.794 1.00 25.00 H new ATOM 0 HA GLU B 21 -2.658 18.752 -18.460 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -4.685 19.621 -19.932 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.147 20.516 -18.498 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -2.984 21.723 -18.531 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -2.474 20.799 -19.930 1.00 25.00 H new ATOM 638 N ARG B 22 -4.279 18.892 -15.762 1.00 25.00 N ATOM 639 CA ARG B 22 -4.234 19.309 -14.351 1.00 25.00 C ATOM 640 C ARG B 22 -2.881 19.052 -13.696 1.00 25.00 C ATOM 641 O ARG B 22 -2.535 19.701 -12.719 1.00 25.00 O ATOM 642 CB ARG B 22 -5.287 18.555 -13.539 1.00 25.00 C ATOM 643 CG ARG B 22 -6.720 18.904 -13.904 1.00 25.00 C ATOM 644 CD ARG B 22 -7.697 18.114 -13.046 1.00 25.00 C ATOM 645 NE ARG B 22 -7.722 16.693 -13.426 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.411 15.741 -12.807 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.142 15.986 -11.745 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.372 14.522 -13.264 1.00 25.00 N ATOM 0 H ARG B 22 -4.912 18.115 -15.953 1.00 25.00 H new ATOM 0 HA ARG B 22 -4.425 20.382 -14.353 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.139 17.484 -13.678 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.132 18.764 -12.480 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -6.887 19.972 -13.765 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -6.896 18.688 -14.958 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -7.418 18.206 -11.996 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.697 18.537 -13.148 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.163 16.415 -14.233 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.194 16.933 -11.369 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.658 15.230 -11.295 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.816 14.305 -14.091 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.898 13.784 -12.795 1.00 25.00 H new ATOM 662 N GLY B 23 -2.151 18.074 -14.206 1.00 25.00 N ATOM 663 CA GLY B 23 -0.920 17.654 -13.556 1.00 25.00 C ATOM 664 C GLY B 23 -1.276 16.666 -12.462 1.00 25.00 C ATOM 665 O GLY B 23 -2.440 16.327 -12.305 1.00 25.00 O ATOM 0 H GLY B 23 -2.385 17.562 -15.057 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.246 17.194 -14.279 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -0.399 18.514 -13.136 1.00 25.00 H new ATOM 669 N PHE B 24 -0.286 16.161 -11.745 1.00 25.00 N ATOM 670 CA PHE B 24 -0.499 15.137 -10.723 1.00 25.00 C ATOM 671 C PHE B 24 0.734 15.147 -9.830 1.00 25.00 C ATOM 672 O PHE B 24 1.629 15.967 -10.032 1.00 25.00 O ATOM 673 CB PHE B 24 -0.680 13.761 -11.375 1.00 25.00 C ATOM 674 CG PHE B 24 0.422 13.398 -12.310 1.00 25.00 C ATOM 675 CD1 PHE B 24 1.576 12.757 -11.838 1.00 25.00 C ATOM 676 CD2 PHE B 24 0.321 13.707 -13.675 1.00 25.00 C ATOM 677 CE1 PHE B 24 2.626 12.435 -12.710 1.00 25.00 C ATOM 678 CE2 PHE B 24 1.363 13.391 -14.556 1.00 25.00 C ATOM 679 CZ PHE B 24 2.522 12.761 -14.078 1.00 25.00 C ATOM 0 H PHE B 24 0.688 16.445 -11.851 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.400 15.342 -10.145 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.748 13.004 -10.594 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.626 13.746 -11.917 1.00 25.00 H new ATOM 0 HD1 PHE B 24 1.657 12.508 -10.790 1.00 25.00 H new ATOM 0 HD2 PHE B 24 -0.568 14.193 -14.050 1.00 25.00 H new ATOM 0 HE1 PHE B 24 3.510 11.940 -12.336 1.00 25.00 H new ATOM 0 HE2 PHE B 24 1.274 13.633 -15.605 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.331 12.527 -14.755 1.00 25.00 H new ATOM 689 N PHE B 25 0.801 14.232 -8.873 1.00 25.00 N ATOM 690 CA PHE B 25 1.923 14.166 -7.943 1.00 25.00 C ATOM 691 C PHE B 25 2.514 12.761 -7.940 1.00 25.00 C ATOM 692 O PHE B 25 1.929 11.825 -8.477 1.00 25.00 O ATOM 693 CB PHE B 25 1.457 14.557 -6.534 1.00 25.00 C ATOM 694 CG PHE B 25 0.377 13.662 -5.980 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.712 12.504 -5.249 1.00 25.00 C ATOM 696 CD2 PHE B 25 -0.985 13.982 -6.162 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.297 11.666 -4.716 1.00 25.00 C ATOM 698 CE2 PHE B 25 -2.003 13.150 -5.631 1.00 25.00 C ATOM 699 CZ PHE B 25 -1.655 11.995 -4.902 1.00 25.00 C ATOM 0 H PHE B 25 0.087 13.520 -8.719 1.00 25.00 H new ATOM 0 HA PHE B 25 2.695 14.867 -8.261 1.00 25.00 H new ATOM 0 HB2 PHE B 25 2.313 14.538 -5.860 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.090 15.583 -6.554 1.00 25.00 H new ATOM 0 HD1 PHE B 25 1.751 12.253 -5.094 1.00 25.00 H new ATOM 0 HD2 PHE B 25 -1.255 14.871 -6.712 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.027 10.776 -4.168 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -3.042 13.401 -5.785 1.00 25.00 H new ATOM 0 HZ PHE B 25 -2.427 11.364 -4.487 1.00 25.00 H new ATOM 709 N TYR B 26 3.674 12.610 -7.323 1.00 25.00 N ATOM 710 CA TYR B 26 4.325 11.313 -7.217 1.00 25.00 C ATOM 711 C TYR B 26 4.930 11.201 -5.830 1.00 25.00 C ATOM 712 O TYR B 26 5.367 12.195 -5.262 1.00 25.00 O ATOM 713 CB TYR B 26 5.409 11.166 -8.289 1.00 25.00 C ATOM 714 CG TYR B 26 6.183 9.874 -8.157 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.562 8.631 -8.401 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.539 9.883 -7.764 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.279 7.417 -8.242 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.260 8.669 -7.617 1.00 25.00 C ATOM 719 CZ TYR B 26 7.621 7.451 -7.853 1.00 25.00 C ATOM 720 OH TYR B 26 8.316 6.280 -7.698 1.00 25.00 O ATOM 0 H TYR B 26 4.188 13.375 -6.885 1.00 25.00 H new ATOM 0 HA TYR B 26 3.597 10.516 -7.373 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.948 11.210 -9.276 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.099 12.007 -8.221 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.528 8.603 -8.713 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.033 10.824 -7.573 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.790 6.471 -8.421 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.299 8.688 -7.324 1.00 25.00 H new ATOM 0 HH TYR B 26 9.236 6.479 -7.426 1.00 25.00 H new ATOM 730 N THR B 27 4.941 9.992 -5.290 1.00 25.00 N ATOM 731 CA THR B 27 5.469 9.730 -3.952 1.00 25.00 C ATOM 732 C THR B 27 6.723 8.833 -4.066 1.00 25.00 C ATOM 733 O THR B 27 6.630 7.620 -4.297 1.00 25.00 O ATOM 734 CB THR B 27 4.387 9.088 -3.046 1.00 25.00 C ATOM 735 OG1 THR B 27 4.997 8.305 -2.016 1.00 25.00 O ATOM 736 CG2 THR B 27 3.467 8.206 -3.852 1.00 25.00 C ATOM 0 H THR B 27 4.585 9.162 -5.764 1.00 25.00 H new ATOM 0 HA THR B 27 5.756 10.672 -3.484 1.00 25.00 H new ATOM 0 HB THR B 27 3.809 9.896 -2.597 1.00 25.00 H new ATOM 0 HG1 THR B 27 4.301 7.908 -1.452 1.00 25.00 H new ATOM 0 HG21 THR B 27 2.716 7.767 -3.195 1.00 25.00 H new ATOM 0 HG22 THR B 27 2.973 8.801 -4.620 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.045 7.412 -4.324 1.00 25.00 H new ATOM 744 N PRO B 28 7.918 9.438 -3.986 1.00 25.00 N ATOM 745 CA PRO B 28 9.176 8.693 -4.077 1.00 25.00 C ATOM 746 C PRO B 28 9.558 8.064 -2.738 1.00 25.00 C ATOM 747 O PRO B 28 8.913 8.305 -1.720 1.00 25.00 O ATOM 748 CB PRO B 28 10.174 9.777 -4.491 1.00 25.00 C ATOM 749 CG PRO B 28 9.670 11.001 -3.833 1.00 25.00 C ATOM 750 CD PRO B 28 8.161 10.882 -3.821 1.00 25.00 C ATOM 0 HA PRO B 28 9.131 7.855 -4.772 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.185 9.535 -4.162 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.210 9.893 -5.574 1.00 25.00 H new ATOM 0 HG2 PRO B 28 10.062 11.088 -2.820 1.00 25.00 H new ATOM 0 HG3 PRO B 28 9.986 11.893 -4.375 1.00 25.00 H new ATOM 0 HD2 PRO B 28 7.738 11.254 -2.888 1.00 25.00 H new ATOM 0 HD3 PRO B 28 7.708 11.458 -4.628 1.00 25.00 H new ATOM 758 N LYS B 29 10.625 7.276 -2.727 1.00 25.00 N ATOM 759 CA LYS B 29 11.119 6.676 -1.484 1.00 25.00 C ATOM 760 C LYS B 29 11.980 7.697 -0.756 1.00 25.00 C ATOM 761 O LYS B 29 13.196 7.725 -0.917 1.00 25.00 O ATOM 762 CB LYS B 29 11.970 5.432 -1.757 1.00 25.00 C ATOM 763 CG LYS B 29 11.227 4.283 -2.426 1.00 25.00 C ATOM 764 CD LYS B 29 12.014 2.954 -2.335 1.00 25.00 C ATOM 765 CE LYS B 29 13.349 2.971 -3.114 1.00 25.00 C ATOM 766 NZ LYS B 29 14.522 3.479 -2.292 1.00 25.00 N ATOM 0 H LYS B 29 11.166 7.035 -3.557 1.00 25.00 H new ATOM 0 HA LYS B 29 10.258 6.382 -0.883 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.813 5.717 -2.387 1.00 25.00 H new ATOM 0 HB3 LYS B 29 12.383 5.078 -0.813 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.251 4.160 -1.956 1.00 25.00 H new ATOM 0 HG3 LYS B 29 11.048 4.528 -3.473 1.00 25.00 H new ATOM 0 HD2 LYS B 29 12.217 2.733 -1.287 1.00 25.00 H new ATOM 0 HD3 LYS B 29 11.391 2.145 -2.717 1.00 25.00 H new ATOM 0 HE2 LYS B 29 13.570 1.962 -3.464 1.00 25.00 H new ATOM 0 HE3 LYS B 29 13.237 3.598 -3.999 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 15.049 4.188 -2.841 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 14.169 3.913 -1.415 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 15.151 2.685 -2.057 1.00 25.00 H new ATOM 780 N THR B 30 11.339 8.555 0.016 1.00 25.00 N ATOM 781 CA THR B 30 12.025 9.608 0.760 1.00 25.00 C ATOM 782 C THR B 30 12.858 9.051 1.906 1.00 25.00 C ATOM 783 O THR B 30 12.489 8.187 2.670 1.00 25.00 O ATOM 784 CB THR B 30 10.994 10.613 1.285 1.00 25.00 C ATOM 785 OG1 THR B 30 9.992 9.886 1.986 1.00 25.00 O ATOM 786 CG2 THR B 30 10.300 11.336 0.119 1.00 25.00 C ATOM 787 OXT THR B 30 14.021 9.600 2.016 1.00 25.00 O ATOM 0 H THR B 30 10.328 8.546 0.148 1.00 25.00 H new ATOM 0 HA THR B 30 12.715 10.108 0.081 1.00 25.00 H new ATOM 0 HB THR B 30 11.499 11.341 1.920 1.00 25.00 H new ATOM 0 HG1 THR B 30 9.320 10.508 2.334 1.00 25.00 H new ATOM 0 HG21 THR B 30 9.572 12.045 0.512 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.044 11.870 -0.472 1.00 25.00 H new ATOM 0 HG23 THR B 30 9.792 10.606 -0.511 1.00 25.00 H new TER 796 THR B 30