USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 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 NoAdj-H: B 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0.336 (180deg=0.335) USER MOD Single : A 5 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.104 K(o=0.1,f=-6.3!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.8) 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 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.281 K(o=0.28,f=-2.5!) USER MOD Single : B 4 GLN : amide:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.533 X(o=-0.53,f=-1) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00851 USER MOD Single : B 10 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.14) 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 30 THR OG1 : rot 180:sc= -0.0572 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.202 0.002 0.962 1.00 25.00 N ATOM 2 CA GLY A 1 2.051 0.671 -0.367 1.00 25.00 C ATOM 3 C GLY A 1 1.289 -0.103 -1.453 1.00 25.00 C ATOM 4 O GLY A 1 0.625 -1.085 -1.220 1.00 25.00 O ATOM 0 H1 GLY A 1 2.717 0.631 1.611 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.262 -0.205 1.355 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.732 -0.885 0.846 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.545 1.624 -0.211 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.047 0.898 -0.748 1.00 25.00 H new ATOM 9 N ILE A 2 1.454 0.355 -2.712 1.00 25.00 N ATOM 10 CA ILE A 2 0.776 -0.207 -3.882 1.00 25.00 C ATOM 11 C ILE A 2 0.968 -1.727 -4.005 1.00 25.00 C ATOM 12 O ILE A 2 0.041 -2.443 -4.349 1.00 25.00 O ATOM 13 CB ILE A 2 1.221 0.522 -5.178 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.401 0.052 -6.399 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.754 0.359 -5.428 1.00 25.00 C ATOM 16 CD1 ILE A 2 -1.058 0.476 -6.388 1.00 25.00 C ATOM 0 H ILE A 2 2.071 1.135 -2.939 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.292 -0.042 -3.740 1.00 25.00 H new ATOM 0 HB ILE A 2 1.023 1.585 -5.038 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.870 0.438 -7.304 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.448 -1.036 -6.454 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.031 0.882 -6.343 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.306 0.780 -4.588 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.996 -0.699 -5.527 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.553 0.101 -7.284 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.549 0.068 -5.504 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.121 1.564 -6.368 1.00 25.00 H new ATOM 28 N VAL A 3 2.148 -2.243 -3.698 1.00 25.00 N ATOM 29 CA VAL A 3 2.395 -3.675 -3.850 1.00 25.00 C ATOM 30 C VAL A 3 1.629 -4.488 -2.784 1.00 25.00 C ATOM 31 O VAL A 3 0.985 -5.491 -3.090 1.00 25.00 O ATOM 32 CB VAL A 3 3.915 -3.980 -3.760 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.185 -5.495 -3.937 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.691 -3.183 -4.854 1.00 25.00 C ATOM 0 H VAL A 3 2.940 -1.705 -3.347 1.00 25.00 H new ATOM 0 HA VAL A 3 2.033 -3.972 -4.834 1.00 25.00 H new ATOM 0 HB VAL A 3 4.262 -3.674 -2.773 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.256 -5.684 -3.870 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.669 -6.050 -3.154 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.820 -5.818 -4.912 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.755 -3.406 -4.780 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.328 -3.471 -5.840 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.533 -2.115 -4.707 1.00 25.00 H new ATOM 44 N GLU A 4 1.641 -4.009 -1.559 1.00 25.00 N ATOM 45 CA GLU A 4 0.948 -4.670 -0.450 1.00 25.00 C ATOM 46 C GLU A 4 -0.567 -4.545 -0.626 1.00 25.00 C ATOM 47 O GLU A 4 -1.330 -5.379 -0.169 1.00 25.00 O ATOM 48 CB GLU A 4 1.376 -4.056 0.877 1.00 25.00 C ATOM 49 CG GLU A 4 2.858 -4.332 1.286 1.00 25.00 C ATOM 50 CD GLU A 4 3.855 -3.630 0.408 1.00 25.00 C ATOM 51 OE1 GLU A 4 3.742 -2.507 0.014 1.00 25.00 O ATOM 52 OE2 GLU A 4 4.830 -4.407 0.042 1.00 25.00 O ATOM 0 H GLU A 4 2.127 -3.153 -1.293 1.00 25.00 H new ATOM 0 HA GLU A 4 1.215 -5.727 -0.449 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.224 -2.978 0.827 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.722 -4.434 1.663 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.008 -4.017 2.319 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.044 -5.405 1.250 1.00 25.00 H new ATOM 60 N GLN A 5 -0.985 -3.489 -1.302 1.00 25.00 N ATOM 61 CA GLN A 5 -2.414 -3.244 -1.517 1.00 25.00 C ATOM 62 C GLN A 5 -2.985 -4.001 -2.726 1.00 25.00 C ATOM 63 O GLN A 5 -4.119 -4.450 -2.671 1.00 25.00 O ATOM 64 CB GLN A 5 -2.696 -1.737 -1.673 1.00 25.00 C ATOM 65 CG GLN A 5 -4.141 -1.350 -1.433 1.00 25.00 C ATOM 66 CD GLN A 5 -4.674 -1.877 -0.106 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.184 -1.512 0.957 1.00 25.00 O ATOM 68 NE2 GLN A 5 -5.681 -2.717 -0.154 1.00 25.00 N ATOM 0 H GLN A 5 -0.367 -2.788 -1.711 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.918 -3.625 -0.629 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.063 -1.186 -0.977 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.410 -1.427 -2.678 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.231 -0.264 -1.451 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.757 -1.734 -2.246 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -6.066 -3.001 -1.055 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -6.079 -3.086 0.710 1.00 25.00 H new ATOM 77 N CYS A 6 -2.222 -4.172 -3.785 1.00 25.00 N ATOM 78 CA CYS A 6 -2.717 -4.835 -4.989 1.00 25.00 C ATOM 79 C CYS A 6 -2.157 -6.230 -5.281 1.00 25.00 C ATOM 80 O CYS A 6 -2.853 -7.111 -5.762 1.00 25.00 O ATOM 81 CB CYS A 6 -2.429 -3.934 -6.189 1.00 25.00 C ATOM 82 SG CYS A 6 -3.383 -2.374 -6.142 1.00 25.00 S ATOM 0 H CYS A 6 -1.252 -3.862 -3.844 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.780 -4.993 -4.808 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.364 -3.704 -6.218 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.664 -4.472 -7.107 1.00 25.00 H new ATOM 87 N CYS A 7 -0.888 -6.451 -4.998 1.00 25.00 N ATOM 88 CA CYS A 7 -0.254 -7.742 -5.312 1.00 25.00 C ATOM 89 C CYS A 7 -0.591 -8.742 -4.206 1.00 25.00 C ATOM 90 O CYS A 7 -0.638 -9.954 -4.426 1.00 25.00 O ATOM 91 CB CYS A 7 1.283 -7.577 -5.427 1.00 25.00 C ATOM 92 SG CYS A 7 2.119 -8.943 -6.297 1.00 25.00 S ATOM 0 H CYS A 7 -0.271 -5.769 -4.556 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.631 -8.107 -6.267 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.499 -6.644 -5.947 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.703 -7.488 -4.425 1.00 25.00 H new ATOM 97 N THR A 8 -0.897 -8.213 -3.020 1.00 25.00 N ATOM 98 CA THR A 8 -1.290 -9.022 -1.867 1.00 25.00 C ATOM 99 C THR A 8 -2.783 -8.950 -1.595 1.00 25.00 C ATOM 100 O THR A 8 -3.428 -9.982 -1.432 1.00 25.00 O ATOM 101 CB THR A 8 -0.530 -8.540 -0.593 1.00 25.00 C ATOM 102 OG1 THR A 8 0.866 -8.496 -0.877 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.795 -9.438 0.617 1.00 25.00 C ATOM 0 H THR A 8 -0.879 -7.211 -2.833 1.00 25.00 H new ATOM 0 HA THR A 8 -1.033 -10.055 -2.102 1.00 25.00 H new ATOM 0 HB THR A 8 -0.896 -7.547 -0.334 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.352 -8.192 -0.082 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.244 -9.060 1.478 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.862 -9.440 0.842 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.469 -10.454 0.394 1.00 25.00 H new ATOM 111 N SER A 9 -3.351 -7.751 -1.566 1.00 25.00 N ATOM 112 CA SER A 9 -4.773 -7.588 -1.291 1.00 25.00 C ATOM 113 C SER A 9 -5.544 -7.181 -2.542 1.00 25.00 C ATOM 114 O SER A 9 -4.986 -7.055 -3.639 1.00 25.00 O ATOM 115 CB SER A 9 -4.966 -6.510 -0.225 1.00 25.00 C ATOM 116 OG SER A 9 -4.207 -6.803 0.939 1.00 25.00 O ATOM 0 H SER A 9 -2.849 -6.878 -1.729 1.00 25.00 H new ATOM 0 HA SER A 9 -5.156 -8.547 -0.944 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.666 -5.541 -0.624 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.022 -6.435 0.034 1.00 25.00 H new ATOM 0 HG SER A 9 -4.345 -6.098 1.606 1.00 25.00 H new ATOM 122 N ILE A 10 -6.843 -6.963 -2.365 1.00 25.00 N ATOM 123 CA ILE A 10 -7.726 -6.445 -3.427 1.00 25.00 C ATOM 124 C ILE A 10 -7.601 -4.943 -3.359 1.00 25.00 C ATOM 125 O ILE A 10 -7.647 -4.381 -2.279 1.00 25.00 O ATOM 126 CB ILE A 10 -9.223 -6.845 -3.209 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.412 -8.370 -3.211 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.143 -6.191 -4.263 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.155 -9.052 -4.568 1.00 25.00 C ATOM 0 H ILE A 10 -7.323 -7.138 -1.482 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.432 -6.860 -4.391 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.507 -6.471 -2.226 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.743 -8.806 -2.469 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.430 -8.596 -2.894 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.175 -6.491 -4.081 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -10.062 -5.106 -4.193 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.842 -6.514 -5.260 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.313 -10.126 -4.471 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.842 -8.650 -5.313 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.128 -8.863 -4.882 1.00 25.00 H new ATOM 141 N CYS A 11 -7.497 -4.287 -4.502 1.00 25.00 N ATOM 142 CA CYS A 11 -7.493 -2.834 -4.550 1.00 25.00 C ATOM 143 C CYS A 11 -8.416 -2.395 -5.679 1.00 25.00 C ATOM 144 O CYS A 11 -8.673 -3.187 -6.607 1.00 25.00 O ATOM 145 CB CYS A 11 -6.065 -2.336 -4.761 1.00 25.00 C ATOM 146 SG CYS A 11 -5.334 -2.930 -6.326 1.00 25.00 S ATOM 0 H CYS A 11 -7.414 -4.739 -5.413 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.854 -2.408 -3.614 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -6.060 -1.246 -4.753 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.444 -2.663 -3.927 1.00 25.00 H new ATOM 151 N SER A 12 -8.971 -1.203 -5.567 1.00 25.00 N ATOM 152 CA SER A 12 -9.915 -0.659 -6.527 1.00 25.00 C ATOM 153 C SER A 12 -9.327 0.631 -7.113 1.00 25.00 C ATOM 154 O SER A 12 -8.313 1.118 -6.621 1.00 25.00 O ATOM 155 CB SER A 12 -11.266 -0.393 -5.832 1.00 25.00 C ATOM 156 OG SER A 12 -11.769 -1.573 -5.193 1.00 25.00 O ATOM 0 H SER A 12 -8.775 -0.572 -4.790 1.00 25.00 H new ATOM 0 HA SER A 12 -10.090 -1.368 -7.337 1.00 25.00 H new ATOM 0 HB2 SER A 12 -11.146 0.399 -5.093 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.990 -0.038 -6.565 1.00 25.00 H new ATOM 0 HG SER A 12 -12.625 -1.371 -4.760 1.00 25.00 H new ATOM 162 N LEU A 13 -9.976 1.167 -8.130 1.00 25.00 N ATOM 163 CA LEU A 13 -9.518 2.381 -8.813 1.00 25.00 C ATOM 164 C LEU A 13 -9.331 3.527 -7.803 1.00 25.00 C ATOM 165 O LEU A 13 -8.382 4.312 -7.900 1.00 25.00 O ATOM 166 CB LEU A 13 -10.537 2.809 -9.911 1.00 25.00 C ATOM 167 CG LEU A 13 -12.017 3.022 -9.532 1.00 25.00 C ATOM 168 CD1 LEU A 13 -12.571 4.223 -10.281 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.886 1.773 -9.868 1.00 25.00 C ATOM 0 H LEU A 13 -10.838 0.778 -8.513 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.560 2.164 -9.286 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -10.175 3.739 -10.348 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.506 2.054 -10.697 1.00 25.00 H new ATOM 0 HG LEU A 13 -12.059 3.191 -8.456 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -13.617 4.370 -10.010 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.999 5.112 -10.016 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -12.495 4.049 -11.354 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.921 1.964 -9.586 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.833 1.570 -10.938 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.512 0.911 -9.316 1.00 25.00 H new ATOM 181 N TYR A 14 -10.185 3.556 -6.792 1.00 25.00 N ATOM 182 CA TYR A 14 -10.120 4.581 -5.756 1.00 25.00 C ATOM 183 C TYR A 14 -8.773 4.565 -5.022 1.00 25.00 C ATOM 184 O TYR A 14 -8.116 5.602 -4.895 1.00 25.00 O ATOM 185 CB TYR A 14 -11.255 4.380 -4.768 1.00 25.00 C ATOM 186 CG TYR A 14 -11.565 5.617 -3.959 1.00 25.00 C ATOM 187 CD1 TYR A 14 -10.714 6.038 -2.927 1.00 25.00 C ATOM 188 CD2 TYR A 14 -12.722 6.366 -4.211 1.00 25.00 C ATOM 189 CE1 TYR A 14 -10.988 7.198 -2.175 1.00 25.00 C ATOM 190 CE2 TYR A 14 -13.003 7.528 -3.460 1.00 25.00 C ATOM 191 CZ TYR A 14 -12.136 7.942 -2.457 1.00 25.00 C ATOM 192 OH TYR A 14 -12.397 9.072 -1.706 1.00 25.00 O ATOM 0 H TYR A 14 -10.936 2.878 -6.664 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.219 5.554 -6.238 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.150 4.074 -5.310 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.999 3.565 -4.091 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -9.829 5.461 -2.704 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -13.405 6.052 -4.986 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -10.317 7.509 -1.388 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -13.897 8.098 -3.667 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.229 9.487 -2.017 1.00 25.00 H new ATOM 202 N GLN A 15 -8.358 3.402 -4.571 1.00 25.00 N ATOM 203 CA GLN A 15 -7.091 3.291 -3.875 1.00 25.00 C ATOM 204 C GLN A 15 -5.961 3.606 -4.836 1.00 25.00 C ATOM 205 O GLN A 15 -5.044 4.313 -4.499 1.00 25.00 O ATOM 206 CB GLN A 15 -6.882 1.904 -3.263 1.00 25.00 C ATOM 207 CG GLN A 15 -7.715 1.636 -2.020 1.00 25.00 C ATOM 208 CD GLN A 15 -9.161 1.300 -2.313 1.00 25.00 C ATOM 209 OE1 GLN A 15 -9.512 0.927 -3.412 1.00 25.00 O ATOM 210 NE2 GLN A 15 -9.993 1.446 -1.319 1.00 25.00 N ATOM 0 H GLN A 15 -8.872 2.527 -4.671 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.100 4.007 -3.053 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -7.118 1.149 -4.014 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.828 1.786 -3.012 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.266 0.813 -1.464 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.680 2.513 -1.374 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -9.652 1.763 -0.411 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -10.984 1.244 -1.450 1.00 25.00 H new ATOM 219 N LEU A 16 -6.060 3.069 -6.049 1.00 25.00 N ATOM 220 CA LEU A 16 -5.036 3.276 -7.044 1.00 25.00 C ATOM 221 C LEU A 16 -4.741 4.741 -7.341 1.00 25.00 C ATOM 222 O LEU A 16 -3.582 5.105 -7.509 1.00 25.00 O ATOM 223 CB LEU A 16 -5.406 2.601 -8.356 1.00 25.00 C ATOM 224 CG LEU A 16 -4.662 1.301 -8.635 1.00 25.00 C ATOM 225 CD1 LEU A 16 -5.231 0.131 -7.807 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.761 0.914 -10.104 1.00 25.00 C ATOM 0 H LEU A 16 -6.841 2.490 -6.357 1.00 25.00 H new ATOM 0 HA LEU A 16 -4.139 2.834 -6.610 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.477 2.398 -8.355 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -5.214 3.296 -9.173 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.623 1.481 -8.359 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -4.675 -0.779 -8.033 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -5.139 0.358 -6.745 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -6.282 -0.014 -8.057 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.220 -0.018 -10.272 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.808 0.780 -10.375 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -4.325 1.702 -10.718 1.00 25.00 H new ATOM 238 N GLU A 17 -5.761 5.594 -7.370 1.00 25.00 N ATOM 239 CA GLU A 17 -5.532 7.008 -7.581 1.00 25.00 C ATOM 240 C GLU A 17 -4.645 7.666 -6.496 1.00 25.00 C ATOM 241 O GLU A 17 -3.951 8.645 -6.795 1.00 25.00 O ATOM 242 CB GLU A 17 -6.857 7.786 -7.679 1.00 25.00 C ATOM 243 CG GLU A 17 -7.600 7.540 -8.994 1.00 25.00 C ATOM 244 CD GLU A 17 -8.603 8.623 -9.284 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.273 9.141 -8.448 1.00 25.00 O ATOM 246 OE2 GLU A 17 -8.647 8.978 -10.523 1.00 25.00 O ATOM 0 H GLU A 17 -6.739 5.330 -7.251 1.00 25.00 H new ATOM 0 HA GLU A 17 -4.993 7.064 -8.527 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.501 7.503 -6.846 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.654 8.852 -7.577 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -6.881 7.483 -9.812 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.109 6.577 -8.949 1.00 25.00 H new ATOM 254 N ASN A 18 -4.584 7.108 -5.277 1.00 25.00 N ATOM 255 CA ASN A 18 -3.687 7.626 -4.221 1.00 25.00 C ATOM 256 C ASN A 18 -2.202 7.420 -4.624 1.00 25.00 C ATOM 257 O ASN A 18 -1.304 8.077 -4.101 1.00 25.00 O ATOM 258 CB ASN A 18 -3.919 6.924 -2.870 1.00 25.00 C ATOM 259 CG ASN A 18 -5.296 7.182 -2.325 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.851 8.257 -2.512 1.00 25.00 O ATOM 261 ND2 ASN A 18 -5.845 6.204 -1.663 1.00 25.00 N ATOM 0 H ASN A 18 -5.141 6.301 -4.995 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.912 8.687 -4.112 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -3.773 5.851 -2.991 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.175 7.268 -2.151 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -6.781 6.315 -1.272 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.339 5.327 -1.535 1.00 25.00 H new ATOM 268 N TYR A 19 -1.960 6.533 -5.592 1.00 25.00 N ATOM 269 CA TYR A 19 -0.634 6.228 -6.095 1.00 25.00 C ATOM 270 C TYR A 19 -0.417 6.862 -7.462 1.00 25.00 C ATOM 271 O TYR A 19 0.488 6.457 -8.180 1.00 25.00 O ATOM 272 CB TYR A 19 -0.519 4.740 -6.203 1.00 25.00 C ATOM 273 CG TYR A 19 -0.824 4.019 -4.922 1.00 25.00 C ATOM 274 CD1 TYR A 19 0.074 4.036 -3.851 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.030 3.323 -4.773 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.213 3.333 -2.661 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.327 2.625 -3.593 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.396 2.618 -2.554 1.00 25.00 C ATOM 279 OH TYR A 19 -1.626 1.956 -1.382 1.00 25.00 O ATOM 0 H TYR A 19 -2.699 6.001 -6.052 1.00 25.00 H new ATOM 0 HA TYR A 19 0.121 6.628 -5.418 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.198 4.387 -6.979 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.491 4.484 -6.522 1.00 25.00 H new ATOM 0 HD1 TYR A 19 0.996 4.592 -3.935 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.745 3.324 -5.582 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.486 3.352 -1.838 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.265 2.099 -3.490 1.00 25.00 H new ATOM 0 HH TYR A 19 -2.489 1.494 -1.431 1.00 25.00 H new ATOM 289 N CYS A 20 -1.240 7.847 -7.814 1.00 25.00 N ATOM 290 CA CYS A 20 -1.100 8.512 -9.127 1.00 25.00 C ATOM 291 C CYS A 20 0.291 9.190 -9.184 1.00 25.00 C ATOM 292 O CYS A 20 0.968 9.251 -10.213 1.00 25.00 O ATOM 293 CB CYS A 20 -2.199 9.561 -9.306 1.00 25.00 C ATOM 294 SG CYS A 20 -2.422 10.168 -11.001 1.00 25.00 S ATOM 0 H CYS A 20 -1.997 8.203 -7.231 1.00 25.00 H new ATOM 0 HA CYS A 20 -1.193 7.778 -9.927 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -3.143 9.137 -8.962 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -1.977 10.410 -8.660 1.00 25.00 H new ATOM 299 N ASN A 21 0.738 9.651 -8.004 1.00 25.00 N ATOM 300 CA ASN A 21 2.077 10.237 -7.727 1.00 25.00 C ATOM 301 C ASN A 21 2.397 11.550 -8.478 1.00 25.00 C ATOM 302 O ASN A 21 2.785 12.543 -7.915 1.00 25.00 O ATOM 303 CB ASN A 21 3.213 9.190 -7.935 1.00 25.00 C ATOM 304 CG ASN A 21 4.393 9.519 -7.044 1.00 25.00 C ATOM 305 OD1 ASN A 21 4.357 9.334 -5.860 1.00 25.00 O ATOM 306 ND2 ASN A 21 5.461 10.058 -7.587 1.00 25.00 N ATOM 307 OXT ASN A 21 2.287 11.502 -9.763 1.00 25.00 O ATOM 0 H ASN A 21 0.152 9.628 -7.170 1.00 25.00 H new ATOM 0 HA ASN A 21 2.030 10.519 -6.675 1.00 25.00 H new ATOM 0 HB2 ASN A 21 2.843 8.190 -7.707 1.00 25.00 H new ATOM 0 HB3 ASN A 21 3.526 9.184 -8.979 1.00 25.00 H new ATOM 0 HD21 ASN A 21 6.255 10.317 -7.002 1.00 25.00 H new ATOM 0 HD22 ASN A 21 5.496 10.217 -8.594 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.875 -0.610 -15.511 1.00 25.00 N ATOM 317 CA PHE B 1 -12.045 -0.986 -14.318 1.00 25.00 C ATOM 318 C PHE B 1 -12.769 -1.855 -13.291 1.00 25.00 C ATOM 319 O PHE B 1 -13.838 -1.567 -12.835 1.00 25.00 O ATOM 320 CB PHE B 1 -11.490 0.303 -13.647 1.00 25.00 C ATOM 321 CG PHE B 1 -10.314 0.046 -12.708 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.510 -0.685 -11.510 1.00 25.00 C ATOM 323 CD2 PHE B 1 -9.036 0.538 -13.007 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.434 -0.955 -10.660 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.967 0.274 -12.149 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.175 -0.467 -10.979 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.309 -0.022 -16.156 1.00 25.00 H new ATOM 0 H2 PHE B 1 -13.181 -1.472 -16.006 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.710 -0.075 -15.198 1.00 25.00 H new ATOM 0 HA PHE B 1 -11.231 -1.606 -14.693 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.178 1.001 -14.424 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.292 0.785 -13.088 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.498 -1.036 -11.252 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.878 1.122 -13.902 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.581 -1.538 -9.763 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.980 0.641 -12.387 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.345 -0.661 -10.316 1.00 25.00 H new ATOM 337 N VAL B 2 -12.136 -2.962 -12.914 1.00 25.00 N ATOM 338 CA VAL B 2 -12.690 -3.870 -11.915 1.00 25.00 C ATOM 339 C VAL B 2 -11.615 -4.169 -10.869 1.00 25.00 C ATOM 340 O VAL B 2 -10.408 -4.265 -11.188 1.00 25.00 O ATOM 341 CB VAL B 2 -13.245 -5.165 -12.589 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.123 -6.017 -13.255 1.00 25.00 C ATOM 343 CG2 VAL B 2 -14.019 -6.024 -11.582 1.00 25.00 C ATOM 0 H VAL B 2 -11.233 -3.253 -13.288 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.536 -3.402 -11.412 1.00 25.00 H new ATOM 0 HB VAL B 2 -13.924 -4.834 -13.375 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.562 -6.906 -13.709 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.625 -5.426 -14.023 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.397 -6.316 -12.499 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.394 -6.919 -12.079 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.357 -6.313 -10.766 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -14.857 -5.452 -11.184 1.00 25.00 H new ATOM 353 N ASN B 3 -12.045 -4.297 -9.625 1.00 25.00 N ATOM 354 CA ASN B 3 -11.160 -4.508 -8.504 1.00 25.00 C ATOM 355 C ASN B 3 -10.761 -5.974 -8.405 1.00 25.00 C ATOM 356 O ASN B 3 -11.612 -6.869 -8.418 1.00 25.00 O ATOM 357 CB ASN B 3 -11.872 -4.038 -7.242 1.00 25.00 C ATOM 358 CG ASN B 3 -13.197 -4.710 -7.044 1.00 25.00 C ATOM 359 OD1 ASN B 3 -14.164 -4.457 -7.756 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.272 -5.537 -6.051 1.00 25.00 N ATOM 0 H ASN B 3 -13.031 -4.256 -9.368 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.241 -3.937 -8.635 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.237 -4.232 -6.377 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -12.020 -2.959 -7.293 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.155 -6.002 -5.840 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.448 -5.724 -5.480 1.00 25.00 H new ATOM 367 N GLN B 4 -9.462 -6.228 -8.322 1.00 25.00 N ATOM 368 CA GLN B 4 -8.909 -7.572 -8.338 1.00 25.00 C ATOM 369 C GLN B 4 -7.466 -7.452 -7.843 1.00 25.00 C ATOM 370 O GLN B 4 -6.974 -6.361 -7.615 1.00 25.00 O ATOM 371 CB GLN B 4 -8.937 -8.130 -9.777 1.00 25.00 C ATOM 372 CG GLN B 4 -8.107 -7.278 -10.751 1.00 25.00 C ATOM 373 CD GLN B 4 -8.328 -7.649 -12.205 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.083 -8.764 -12.615 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.746 -6.696 -12.985 1.00 25.00 N ATOM 0 H GLN B 4 -8.756 -5.497 -8.241 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.484 -8.250 -7.707 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.556 -9.151 -9.776 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.968 -8.176 -10.126 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.358 -6.227 -10.609 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.050 -7.389 -10.511 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.941 -5.771 -12.601 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.879 -6.873 -13.981 1.00 25.00 H new ATOM 384 N HIS B 5 -6.768 -8.571 -7.703 1.00 25.00 N ATOM 385 CA HIS B 5 -5.345 -8.543 -7.377 1.00 25.00 C ATOM 386 C HIS B 5 -4.605 -8.187 -8.678 1.00 25.00 C ATOM 387 O HIS B 5 -4.910 -8.682 -9.719 1.00 25.00 O ATOM 388 CB HIS B 5 -4.867 -9.899 -6.870 1.00 25.00 C ATOM 389 CG HIS B 5 -5.452 -10.291 -5.551 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.979 -9.807 -4.336 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.468 -11.120 -5.227 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.688 -10.348 -3.366 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.588 -11.136 -3.867 1.00 25.00 N ATOM 0 H HIS B 5 -7.160 -9.507 -7.809 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.152 -7.817 -6.587 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.117 -10.661 -7.608 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.781 -9.882 -6.784 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -4.212 -9.145 -4.216 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.080 -11.674 -5.923 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.542 -10.163 -2.312 1.00 25.00 H new ATOM 402 N LEU B 6 -3.625 -7.302 -8.578 1.00 25.00 N ATOM 403 CA LEU B 6 -2.869 -6.842 -9.740 1.00 25.00 C ATOM 404 C LEU B 6 -1.399 -6.784 -9.342 1.00 25.00 C ATOM 405 O LEU B 6 -1.088 -6.382 -8.232 1.00 25.00 O ATOM 406 CB LEU B 6 -3.317 -5.457 -10.191 1.00 25.00 C ATOM 407 CG LEU B 6 -4.702 -5.415 -10.852 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.399 -4.106 -10.505 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.547 -5.580 -12.357 1.00 25.00 C ATOM 0 H LEU B 6 -3.330 -6.883 -7.696 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.036 -7.530 -10.569 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.321 -4.792 -9.327 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.582 -5.063 -10.893 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.319 -6.232 -10.479 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.381 -4.081 -10.976 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.513 -4.030 -9.424 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.802 -3.269 -10.866 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.529 -5.551 -12.829 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.931 -4.771 -12.750 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.070 -6.536 -12.571 1.00 25.00 H new ATOM 421 N CYS B 7 -0.504 -7.193 -10.237 1.00 25.00 N ATOM 422 CA CYS B 7 0.912 -7.150 -9.910 1.00 25.00 C ATOM 423 C CYS B 7 1.694 -6.952 -11.209 1.00 25.00 C ATOM 424 O CYS B 7 1.110 -7.045 -12.304 1.00 25.00 O ATOM 425 CB CYS B 7 1.352 -8.420 -9.189 1.00 25.00 C ATOM 426 SG CYS B 7 2.751 -8.136 -8.057 1.00 25.00 S ATOM 0 H CYS B 7 -0.727 -7.548 -11.167 1.00 25.00 H new ATOM 0 HA CYS B 7 1.109 -6.321 -9.230 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.510 -8.824 -8.626 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.633 -9.173 -9.926 1.00 25.00 H new ATOM 431 N GLY B 8 2.973 -6.646 -11.082 1.00 25.00 N ATOM 432 CA GLY B 8 3.826 -6.463 -12.235 1.00 25.00 C ATOM 433 C GLY B 8 3.329 -5.495 -13.285 1.00 25.00 C ATOM 434 O GLY B 8 2.728 -4.455 -12.988 1.00 25.00 O ATOM 0 H GLY B 8 3.442 -6.519 -10.185 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.802 -6.122 -11.889 1.00 25.00 H new ATOM 0 HA3 GLY B 8 3.977 -7.434 -12.707 1.00 25.00 H new ATOM 438 N SER B 9 3.514 -5.866 -14.540 1.00 25.00 N ATOM 439 CA SER B 9 3.056 -5.030 -15.650 1.00 25.00 C ATOM 440 C SER B 9 1.539 -4.861 -15.664 1.00 25.00 C ATOM 441 O SER B 9 1.059 -3.843 -16.121 1.00 25.00 O ATOM 442 CB SER B 9 3.501 -5.678 -16.972 1.00 25.00 C ATOM 443 OG SER B 9 4.840 -6.084 -16.868 1.00 25.00 O ATOM 0 H SER B 9 3.974 -6.732 -14.821 1.00 25.00 H new ATOM 0 HA SER B 9 3.495 -4.040 -15.526 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.867 -6.535 -17.201 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.388 -4.970 -17.793 1.00 25.00 H new ATOM 0 HG SER B 9 5.123 -6.498 -17.710 1.00 25.00 H new ATOM 449 N HIS B 10 0.800 -5.816 -15.140 1.00 25.00 N ATOM 450 CA HIS B 10 -0.643 -5.674 -15.066 1.00 25.00 C ATOM 451 C HIS B 10 -1.009 -4.598 -14.034 1.00 25.00 C ATOM 452 O HIS B 10 -1.947 -3.831 -14.260 1.00 25.00 O ATOM 453 CB HIS B 10 -1.340 -6.980 -14.718 1.00 25.00 C ATOM 454 CG HIS B 10 -2.616 -7.161 -15.489 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.343 -8.366 -15.568 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.292 -6.292 -16.279 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.383 -8.177 -16.370 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.372 -6.929 -16.800 1.00 25.00 N ATOM 0 H HIS B 10 1.167 -6.690 -14.763 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.989 -5.376 -16.056 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.670 -7.815 -14.925 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.556 -7.002 -13.650 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.017 -5.264 -16.464 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.119 -8.923 -16.629 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.063 -6.511 -17.423 1.00 25.00 H new ATOM 467 N LEU B 11 -0.220 -4.466 -12.973 1.00 25.00 N ATOM 468 CA LEU B 11 -0.443 -3.380 -12.008 1.00 25.00 C ATOM 469 C LEU B 11 -0.142 -2.062 -12.716 1.00 25.00 C ATOM 470 O LEU B 11 -0.906 -1.123 -12.628 1.00 25.00 O ATOM 471 CB LEU B 11 0.492 -3.512 -10.776 1.00 25.00 C ATOM 472 CG LEU B 11 -0.113 -3.282 -9.390 1.00 25.00 C ATOM 473 CD1 LEU B 11 1.031 -3.403 -8.346 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.798 -1.910 -9.262 1.00 25.00 C ATOM 0 H LEU B 11 0.565 -5.080 -12.756 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.473 -3.423 -11.654 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.924 -4.512 -10.790 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.314 -2.808 -10.903 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.887 -4.030 -9.220 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.629 -3.243 -7.346 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.474 -4.397 -8.405 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.794 -2.653 -8.554 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.209 -1.801 -8.259 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.068 -1.121 -9.443 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.602 -1.835 -9.994 1.00 25.00 H new ATOM 486 N VAL B 12 0.948 -2.010 -13.454 1.00 25.00 N ATOM 487 CA VAL B 12 1.304 -0.773 -14.166 1.00 25.00 C ATOM 488 C VAL B 12 0.197 -0.392 -15.148 1.00 25.00 C ATOM 489 O VAL B 12 -0.198 0.753 -15.222 1.00 25.00 O ATOM 490 CB VAL B 12 2.673 -0.895 -14.899 1.00 25.00 C ATOM 491 CG1 VAL B 12 3.005 0.426 -15.632 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.794 -1.203 -13.881 1.00 25.00 C ATOM 0 H VAL B 12 1.598 -2.785 -13.583 1.00 25.00 H new ATOM 0 HA VAL B 12 1.407 0.018 -13.423 1.00 25.00 H new ATOM 0 HB VAL B 12 2.605 -1.706 -15.624 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.964 0.329 -16.141 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.226 0.642 -16.364 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.059 1.240 -14.909 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.747 -1.286 -14.403 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.851 -0.398 -13.148 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.576 -2.142 -13.372 1.00 25.00 H new ATOM 502 N GLU B 13 -0.336 -1.372 -15.861 1.00 25.00 N ATOM 503 CA GLU B 13 -1.455 -1.145 -16.772 1.00 25.00 C ATOM 504 C GLU B 13 -2.652 -0.546 -16.053 1.00 25.00 C ATOM 505 O GLU B 13 -3.239 0.404 -16.547 1.00 25.00 O ATOM 506 CB GLU B 13 -1.895 -2.446 -17.445 1.00 25.00 C ATOM 507 CG GLU B 13 -1.072 -2.795 -18.657 1.00 25.00 C ATOM 508 CD GLU B 13 -1.551 -4.051 -19.320 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.329 -4.087 -20.219 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.047 -5.120 -18.791 1.00 25.00 O ATOM 0 H GLU B 13 -0.012 -2.339 -15.828 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.100 -0.443 -17.526 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.831 -3.260 -16.723 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.942 -2.361 -17.737 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.110 -1.972 -19.370 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.029 -2.915 -18.364 1.00 25.00 H new ATOM 518 N ALA B 14 -3.002 -1.096 -14.900 1.00 25.00 N ATOM 519 CA ALA B 14 -4.164 -0.617 -14.172 1.00 25.00 C ATOM 520 C ALA B 14 -3.981 0.836 -13.734 1.00 25.00 C ATOM 521 O ALA B 14 -4.892 1.651 -13.914 1.00 25.00 O ATOM 522 CB ALA B 14 -4.442 -1.493 -12.982 1.00 25.00 C ATOM 0 H ALA B 14 -2.504 -1.866 -14.453 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.021 -0.661 -14.844 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.316 -1.117 -12.450 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.632 -2.513 -13.317 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.580 -1.485 -12.315 1.00 25.00 H new ATOM 528 N LEU B 15 -2.808 1.161 -13.221 1.00 25.00 N ATOM 529 CA LEU B 15 -2.491 2.529 -12.826 1.00 25.00 C ATOM 530 C LEU B 15 -2.525 3.487 -14.010 1.00 25.00 C ATOM 531 O LEU B 15 -3.003 4.602 -13.891 1.00 25.00 O ATOM 532 CB LEU B 15 -1.133 2.543 -12.145 1.00 25.00 C ATOM 533 CG LEU B 15 -1.180 2.868 -10.642 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.142 2.528 -10.032 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.488 4.359 -10.433 1.00 25.00 C ATOM 0 H LEU B 15 -2.052 0.494 -13.066 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.252 2.878 -12.128 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.663 1.569 -12.279 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.498 3.275 -12.643 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.966 2.283 -10.165 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.120 2.755 -8.966 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.346 1.467 -10.173 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.926 3.115 -10.511 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.519 4.578 -9.366 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.711 4.961 -10.905 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.453 4.597 -10.880 1.00 25.00 H new ATOM 547 N TYR B 16 -2.071 3.029 -15.161 1.00 25.00 N ATOM 548 CA TYR B 16 -2.164 3.820 -16.383 1.00 25.00 C ATOM 549 C TYR B 16 -3.625 4.059 -16.768 1.00 25.00 C ATOM 550 O TYR B 16 -3.996 5.180 -17.116 1.00 25.00 O ATOM 551 CB TYR B 16 -1.484 3.102 -17.525 1.00 25.00 C ATOM 552 CG TYR B 16 -1.635 3.800 -18.847 1.00 25.00 C ATOM 553 CD1 TYR B 16 -0.796 4.878 -19.178 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.616 3.396 -19.773 1.00 25.00 C ATOM 555 CE1 TYR B 16 -0.930 5.552 -20.434 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.747 4.043 -21.020 1.00 25.00 C ATOM 557 CZ TYR B 16 -1.913 5.120 -21.341 1.00 25.00 C ATOM 558 OH TYR B 16 -2.053 5.708 -22.574 1.00 25.00 O ATOM 0 H TYR B 16 -1.634 2.115 -15.280 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.675 4.776 -16.195 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.423 2.997 -17.298 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.894 2.095 -17.606 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.041 5.202 -18.477 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.278 2.579 -19.525 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.284 6.382 -20.681 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.491 3.707 -21.727 1.00 25.00 H new ATOM 0 HH TYR B 16 -2.784 5.275 -23.062 1.00 25.00 H new ATOM 568 N LEU B 17 -4.466 3.022 -16.725 1.00 25.00 N ATOM 569 CA LEU B 17 -5.843 3.167 -17.170 1.00 25.00 C ATOM 570 C LEU B 17 -6.617 4.107 -16.268 1.00 25.00 C ATOM 571 O LEU B 17 -7.418 4.894 -16.739 1.00 25.00 O ATOM 572 CB LEU B 17 -6.515 1.788 -17.241 1.00 25.00 C ATOM 573 CG LEU B 17 -5.949 0.834 -18.317 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.424 -0.597 -18.119 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.306 1.304 -19.730 1.00 25.00 C ATOM 0 H LEU B 17 -4.218 2.090 -16.392 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.841 3.607 -18.167 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.424 1.307 -16.267 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.579 1.930 -17.428 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.865 0.854 -18.203 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.001 -1.232 -18.898 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.100 -0.956 -17.142 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.512 -0.630 -18.175 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -5.891 0.609 -20.460 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.390 1.340 -19.838 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -5.891 2.298 -19.899 1.00 25.00 H new ATOM 587 N VAL B 18 -6.361 4.045 -14.976 1.00 25.00 N ATOM 588 CA VAL B 18 -7.070 4.927 -14.027 1.00 25.00 C ATOM 589 C VAL B 18 -6.484 6.349 -13.926 1.00 25.00 C ATOM 590 O VAL B 18 -7.235 7.303 -13.766 1.00 25.00 O ATOM 591 CB VAL B 18 -7.220 4.265 -12.619 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.857 4.080 -11.945 1.00 25.00 C ATOM 593 CG2 VAL B 18 -8.090 5.086 -11.691 1.00 25.00 C ATOM 0 H VAL B 18 -5.684 3.412 -14.551 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.067 5.055 -14.449 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.691 3.297 -12.793 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.994 3.617 -10.968 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.229 3.440 -12.564 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.377 5.051 -11.823 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -8.165 4.586 -10.725 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.647 6.073 -11.555 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -9.085 5.191 -12.123 1.00 25.00 H new ATOM 603 N CYS B 19 -5.172 6.504 -14.020 1.00 25.00 N ATOM 604 CA CYS B 19 -4.554 7.831 -13.826 1.00 25.00 C ATOM 605 C CYS B 19 -3.624 8.298 -14.950 1.00 25.00 C ATOM 606 O CYS B 19 -3.522 9.500 -15.228 1.00 25.00 O ATOM 607 CB CYS B 19 -3.773 7.883 -12.489 1.00 25.00 C ATOM 608 SG CYS B 19 -4.207 9.384 -11.545 1.00 25.00 S ATOM 0 H CYS B 19 -4.515 5.751 -14.225 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.402 8.516 -13.823 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.998 6.997 -11.896 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.701 7.870 -12.688 1.00 25.00 H new ATOM 613 N GLY B 20 -2.985 7.377 -15.638 1.00 25.00 N ATOM 614 CA GLY B 20 -2.154 7.743 -16.781 1.00 25.00 C ATOM 615 C GLY B 20 -2.993 8.322 -17.911 1.00 25.00 C ATOM 616 O GLY B 20 -2.528 9.175 -18.666 1.00 25.00 O ATOM 0 H GLY B 20 -3.019 6.378 -15.435 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.405 8.472 -16.471 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.615 6.865 -17.138 1.00 25.00 H new ATOM 620 N GLU B 21 -4.251 7.910 -17.976 1.00 25.00 N ATOM 621 CA GLU B 21 -5.211 8.456 -18.952 1.00 25.00 C ATOM 622 C GLU B 21 -6.035 9.621 -18.360 1.00 25.00 C ATOM 623 O GLU B 21 -7.132 9.931 -18.847 1.00 25.00 O ATOM 624 CB GLU B 21 -6.154 7.340 -19.467 1.00 25.00 C ATOM 625 CG GLU B 21 -5.415 6.240 -20.205 1.00 25.00 C ATOM 626 CD GLU B 21 -6.350 5.335 -20.970 1.00 25.00 C ATOM 627 OE1 GLU B 21 -7.092 4.551 -20.452 1.00 25.00 O ATOM 628 OE2 GLU B 21 -6.242 5.454 -22.235 1.00 25.00 O ATOM 0 H GLU B 21 -4.642 7.194 -17.364 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.635 8.851 -19.789 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.692 6.907 -18.623 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.900 7.778 -20.130 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.699 6.686 -20.895 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.843 5.648 -19.491 1.00 25.00 H new ATOM 636 N ARG B 22 -5.518 10.262 -17.309 1.00 25.00 N ATOM 637 CA ARG B 22 -6.146 11.438 -16.705 1.00 25.00 C ATOM 638 C ARG B 22 -5.137 12.590 -16.703 1.00 25.00 C ATOM 639 O ARG B 22 -5.358 13.619 -17.324 1.00 25.00 O ATOM 640 CB ARG B 22 -6.599 11.137 -15.267 1.00 25.00 C ATOM 641 CG ARG B 22 -7.765 10.211 -15.132 1.00 25.00 C ATOM 642 CD ARG B 22 -9.053 10.875 -15.627 1.00 25.00 C ATOM 643 NE ARG B 22 -9.366 10.458 -16.997 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.488 10.709 -17.653 1.00 25.00 C ATOM 645 NH1 ARG B 22 -11.442 11.462 -17.163 1.00 25.00 N ATOM 646 NH2 ARG B 22 -10.651 10.197 -18.842 1.00 25.00 N ATOM 0 H ARG B 22 -4.651 9.979 -16.853 1.00 25.00 H new ATOM 0 HA ARG B 22 -7.026 11.712 -17.286 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.756 10.711 -14.722 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.850 12.080 -14.780 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.579 9.301 -15.702 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.881 9.916 -14.089 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -9.879 10.613 -14.966 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.946 11.959 -15.589 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.652 9.924 -17.492 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -11.337 11.882 -16.240 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -12.290 11.628 -17.705 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -9.920 9.614 -19.251 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -11.509 10.379 -19.363 1.00 25.00 H new ATOM 660 N GLY B 23 -4.047 12.393 -15.972 1.00 25.00 N ATOM 661 CA GLY B 23 -3.033 13.427 -15.860 1.00 25.00 C ATOM 662 C GLY B 23 -2.153 13.204 -14.658 1.00 25.00 C ATOM 663 O GLY B 23 -2.415 13.716 -13.564 1.00 25.00 O ATOM 0 H GLY B 23 -3.846 11.537 -15.455 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.422 13.440 -16.763 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -3.513 14.403 -15.786 1.00 25.00 H new ATOM 667 N GLY B 24 -1.135 12.375 -14.838 1.00 25.00 N ATOM 668 CA GLY B 24 -0.241 12.019 -13.749 1.00 25.00 C ATOM 669 C GLY B 24 0.207 10.573 -13.857 1.00 25.00 C ATOM 670 O GLY B 24 -0.603 9.643 -13.788 1.00 25.00 O ATOM 0 H GLY B 24 -0.908 11.936 -15.730 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.630 12.674 -13.761 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -0.745 12.176 -12.795 1.00 25.00 H new ATOM 674 N PHE B 25 1.492 10.376 -14.103 1.00 25.00 N ATOM 675 CA PHE B 25 2.064 9.024 -14.196 1.00 25.00 C ATOM 676 C PHE B 25 3.548 9.151 -13.950 1.00 25.00 C ATOM 677 O PHE B 25 4.080 10.269 -14.020 1.00 25.00 O ATOM 678 CB PHE B 25 1.792 8.450 -15.578 1.00 25.00 C ATOM 679 CG PHE B 25 1.790 6.943 -15.616 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.951 6.207 -14.747 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.625 6.249 -16.505 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.953 4.808 -14.751 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.631 4.814 -16.523 1.00 25.00 C ATOM 684 CZ PHE B 25 1.785 4.105 -15.652 1.00 25.00 C ATOM 0 H PHE B 25 2.166 11.129 -14.243 1.00 25.00 H new ATOM 0 HA PHE B 25 1.618 8.352 -13.463 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.827 8.815 -15.931 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.546 8.822 -16.272 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.297 6.734 -14.068 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.266 6.798 -17.179 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.319 4.265 -14.066 1.00 25.00 H new ATOM 0 HE2 PHE B 25 3.281 4.282 -17.201 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.771 3.025 -15.671 1.00 25.00 H new ATOM 694 N TYR B 26 4.200 8.031 -13.651 1.00 25.00 N ATOM 695 CA TYR B 26 5.612 8.029 -13.263 1.00 25.00 C ATOM 696 C TYR B 26 6.472 7.131 -14.150 1.00 25.00 C ATOM 697 O TYR B 26 7.663 6.970 -13.905 1.00 25.00 O ATOM 698 CB TYR B 26 5.725 7.521 -11.834 1.00 25.00 C ATOM 699 CG TYR B 26 5.173 6.110 -11.695 1.00 25.00 C ATOM 700 CD1 TYR B 26 3.796 5.899 -11.501 1.00 25.00 C ATOM 701 CD2 TYR B 26 6.013 4.985 -11.764 1.00 25.00 C ATOM 702 CE1 TYR B 26 3.271 4.592 -11.409 1.00 25.00 C ATOM 703 CE2 TYR B 26 5.498 3.666 -11.653 1.00 25.00 C ATOM 704 CZ TYR B 26 4.124 3.482 -11.490 1.00 25.00 C ATOM 705 OH TYR B 26 3.651 2.204 -11.397 1.00 25.00 O ATOM 0 H TYR B 26 3.771 7.106 -13.670 1.00 25.00 H new ATOM 0 HA TYR B 26 5.975 9.051 -13.367 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.770 7.536 -11.524 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.185 8.191 -11.165 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.132 6.747 -11.421 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.074 5.127 -11.905 1.00 25.00 H new ATOM 0 HE1 TYR B 26 2.209 4.446 -11.276 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.162 2.815 -11.694 1.00 25.00 H new ATOM 0 HH TYR B 26 4.396 1.573 -11.477 1.00 25.00 H new HETATM 715 N NVA B 27 5.786 6.481 -15.129 1.00 25.00 N HETATM 716 CA NVA B 27 6.301 5.505 -16.151 1.00 25.00 C HETATM 717 CB NVA B 27 6.421 6.195 -17.526 1.00 25.00 C HETATM 718 CG NVA B 27 6.249 5.208 -18.728 1.00 25.00 C HETATM 719 CD NVA B 27 7.098 5.627 -19.967 1.00 25.00 C HETATM 720 C NVA B 27 7.599 4.711 -15.745 1.00 25.00 C HETATM 721 O NVA B 27 8.716 5.187 -15.876 1.00 25.00 O HETATM 0 HG3 NVA B 27 6.538 4.205 -18.415 1.00 25.00 H new HETATM 0 HG2 NVA B 27 5.197 5.163 -19.010 1.00 25.00 H new HETATM 0 HD3 NVA B 27 6.791 6.619 -20.300 1.00 25.00 H new HETATM 0 HD1 NVA B 27 6.943 4.910 -20.773 1.00 25.00 H new HETATM 0 HB3 NVA B 27 5.668 6.980 -17.598 1.00 25.00 H new HETATM 0 HB2 NVA B 27 7.395 6.679 -17.598 1.00 25.00 H new HETATM 0 HA NVA B 27 5.553 4.714 -16.213 1.00 25.00 H new ATOM 730 N PRO B 28 7.450 3.429 -15.206 1.00 25.00 N ATOM 731 CA PRO B 28 8.640 2.638 -14.813 1.00 25.00 C ATOM 732 C PRO B 28 9.363 2.010 -16.005 1.00 25.00 C ATOM 733 O PRO B 28 9.112 0.880 -16.373 1.00 25.00 O ATOM 734 CB PRO B 28 8.045 1.579 -13.891 1.00 25.00 C ATOM 735 CG PRO B 28 6.653 1.362 -14.448 1.00 25.00 C ATOM 736 CD PRO B 28 6.190 2.679 -14.977 1.00 25.00 C ATOM 0 HA PRO B 28 9.410 3.249 -14.342 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.631 0.660 -13.906 1.00 25.00 H new ATOM 0 HB3 PRO B 28 8.014 1.920 -12.856 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.665 0.611 -15.238 1.00 25.00 H new ATOM 0 HG3 PRO B 28 5.979 0.998 -13.673 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.620 2.562 -15.899 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.543 3.191 -14.265 1.00 25.00 H new HETATM 744 N HIX B 29 10.238 2.810 -16.640 1.00 25.00 N HETATM 745 CA HIX B 29 10.984 2.471 -17.864 1.00 25.00 C HETATM 746 C HIX B 29 12.037 1.378 -17.647 1.00 25.00 C HETATM 747 O HIX B 29 12.707 1.265 -16.630 1.00 25.00 O HETATM 748 CB HIX B 29 11.550 3.758 -18.532 1.00 25.00 C HETATM 749 CG HIX B 29 10.456 4.443 -19.276 1.00 25.00 C HETATM 750 CD2 HIX B 29 9.149 4.542 -18.873 1.00 25.00 C HETATM 751 ND1 HIX B 29 10.508 5.118 -20.483 1.00 25.00 N HETATM 752 NE1 HIX B 29 9.287 5.676 -20.924 1.00 25.00 N HETATM 753 NE2 HIX B 29 8.504 5.236 -19.853 1.00 25.00 N ATOM 760 N THR B 30 12.178 0.534 -18.699 1.00 25.00 N ATOM 761 CA THR B 30 13.092 -0.656 -18.748 1.00 25.00 C ATOM 762 C THR B 30 13.385 -1.018 -20.191 1.00 25.00 C ATOM 763 O THR B 30 12.581 -1.550 -20.946 1.00 25.00 O ATOM 764 CB THR B 30 12.503 -1.874 -17.979 1.00 25.00 C ATOM 765 OG1 THR B 30 12.182 -1.489 -16.675 1.00 25.00 O ATOM 766 CG2 THR B 30 13.529 -2.987 -17.849 1.00 25.00 C ATOM 767 OXT THR B 30 14.581 -0.687 -20.601 1.00 25.00 O ATOM 0 H THR B 30 11.650 0.657 -19.563 1.00 25.00 H new ATOM 0 HA THR B 30 14.023 -0.388 -18.250 1.00 25.00 H new ATOM 0 HB THR B 30 11.631 -2.219 -18.535 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.809 -2.255 -16.190 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.090 -3.825 -17.308 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.836 -3.317 -18.842 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.398 -2.619 -17.304 1.00 25.00 H new TER 776 THR B 30