USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 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 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 8 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 9 SER OG : rot -12:sc= 0.757 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -130:sc= -0.215 USER MOD Single : A 21 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-0.87) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0843 USER MOD Single : B 10 HIS : no HE2:sc= -0.0105 K(o=-0.011,f=-0.97) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -101:sc= 0.0701 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.654 2.497 -2.145 1.00 25.00 N ATOM 2 CA GLY A 1 0.488 1.595 -2.007 1.00 25.00 C ATOM 3 C GLY A 1 0.035 1.081 -3.337 1.00 25.00 C ATOM 4 O GLY A 1 -0.816 1.691 -3.947 1.00 25.00 O ATOM 0 H1 GLY A 1 1.944 2.836 -1.205 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.442 1.981 -2.585 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.396 3.309 -2.742 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.749 0.757 -1.361 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -0.331 2.128 -1.523 1.00 25.00 H new ATOM 10 N ILE A 2 0.664 0.024 -3.828 1.00 25.00 N ATOM 11 CA ILE A 2 0.342 -0.511 -5.148 1.00 25.00 C ATOM 12 C ILE A 2 0.278 -2.037 -5.143 1.00 25.00 C ATOM 13 O ILE A 2 -0.517 -2.625 -5.853 1.00 25.00 O ATOM 14 CB ILE A 2 1.384 0.012 -6.212 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.947 -0.418 -7.638 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.812 -0.477 -5.853 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.781 0.180 -8.745 1.00 25.00 C ATOM 0 H ILE A 2 1.400 -0.482 -3.335 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.650 -0.154 -5.424 1.00 25.00 H new ATOM 0 HB ILE A 2 1.409 1.102 -6.196 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.994 -1.505 -7.709 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.095 -0.134 -7.788 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.520 -0.109 -6.595 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.089 -0.100 -4.869 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.831 -1.567 -5.842 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.411 -0.170 -9.709 1.00 25.00 H new ATOM 0 HD12 ILE A 2 1.715 1.267 -8.704 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.820 -0.125 -8.623 1.00 25.00 H new ATOM 29 N VAL A 3 1.084 -2.697 -4.314 1.00 25.00 N ATOM 30 CA VAL A 3 1.132 -4.160 -4.328 1.00 25.00 C ATOM 31 C VAL A 3 -0.224 -4.811 -4.018 1.00 25.00 C ATOM 32 O VAL A 3 -0.749 -5.559 -4.833 1.00 25.00 O ATOM 33 CB VAL A 3 2.219 -4.711 -3.384 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.366 -6.213 -3.508 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.527 -4.050 -3.707 1.00 25.00 C ATOM 0 H VAL A 3 1.703 -2.253 -3.635 1.00 25.00 H new ATOM 0 HA VAL A 3 1.393 -4.431 -5.351 1.00 25.00 H new ATOM 0 HB VAL A 3 1.922 -4.492 -2.358 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.142 -6.560 -2.826 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.420 -6.693 -3.256 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.642 -6.468 -4.531 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.302 -4.434 -3.044 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.796 -4.263 -4.742 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.434 -2.973 -3.571 1.00 25.00 H new ATOM 45 N GLU A 4 -0.787 -4.507 -2.865 1.00 25.00 N ATOM 46 CA GLU A 4 -2.053 -5.102 -2.446 1.00 25.00 C ATOM 47 C GLU A 4 -3.182 -4.566 -3.298 1.00 25.00 C ATOM 48 O GLU A 4 -4.166 -5.245 -3.510 1.00 25.00 O ATOM 49 CB GLU A 4 -2.338 -4.811 -0.960 1.00 25.00 C ATOM 50 CG GLU A 4 -1.378 -5.488 0.041 1.00 25.00 C ATOM 51 CD GLU A 4 0.065 -4.990 -0.110 1.00 25.00 C ATOM 52 OE1 GLU A 4 0.264 -3.762 -0.308 1.00 25.00 O ATOM 53 OE2 GLU A 4 0.966 -5.823 -0.180 1.00 25.00 O ATOM 0 H GLU A 4 -0.390 -3.849 -2.195 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.980 -6.182 -2.576 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.298 -3.733 -0.804 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.356 -5.129 -0.733 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.722 -5.296 1.057 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.405 -6.568 -0.106 1.00 25.00 H new ATOM 60 N GLN A 5 -3.026 -3.355 -3.807 1.00 25.00 N ATOM 61 CA GLN A 5 -4.056 -2.779 -4.661 1.00 25.00 C ATOM 62 C GLN A 5 -4.168 -3.585 -5.935 1.00 25.00 C ATOM 63 O GLN A 5 -5.257 -3.783 -6.411 1.00 25.00 O ATOM 64 CB GLN A 5 -3.772 -1.330 -5.003 1.00 25.00 C ATOM 65 CG GLN A 5 -3.990 -0.365 -3.844 1.00 25.00 C ATOM 66 CD GLN A 5 -5.436 -0.346 -3.338 1.00 25.00 C ATOM 67 OE1 GLN A 5 -6.352 0.072 -4.025 1.00 25.00 O ATOM 68 NE2 GLN A 5 -5.627 -0.746 -2.111 1.00 25.00 N ATOM 0 H GLN A 5 -2.213 -2.760 -3.649 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.995 -2.810 -4.109 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.741 -1.244 -5.345 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -4.410 -1.032 -5.835 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.328 -0.639 -3.022 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.709 0.640 -4.159 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.842 -1.091 -1.559 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -6.562 -0.714 -1.704 1.00 25.00 H new ATOM 77 N CYS A 6 -3.054 -4.066 -6.458 1.00 25.00 N ATOM 78 CA CYS A 6 -3.071 -4.906 -7.644 1.00 25.00 C ATOM 79 C CYS A 6 -3.515 -6.331 -7.310 1.00 25.00 C ATOM 80 O CYS A 6 -4.253 -6.914 -8.053 1.00 25.00 O ATOM 81 CB CYS A 6 -1.681 -4.925 -8.274 1.00 25.00 C ATOM 82 SG CYS A 6 -1.737 -4.607 -10.063 1.00 25.00 S ATOM 0 H CYS A 6 -2.124 -3.889 -6.079 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.789 -4.490 -8.350 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.055 -4.174 -7.792 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.214 -5.893 -8.093 1.00 25.00 H new ATOM 87 N CYS A 7 -3.029 -6.902 -6.216 1.00 25.00 N ATOM 88 CA CYS A 7 -3.380 -8.277 -5.880 1.00 25.00 C ATOM 89 C CYS A 7 -4.875 -8.429 -5.582 1.00 25.00 C ATOM 90 O CYS A 7 -5.550 -9.252 -6.166 1.00 25.00 O ATOM 91 CB CYS A 7 -2.592 -8.739 -4.646 1.00 25.00 C ATOM 92 SG CYS A 7 -1.283 -9.947 -5.047 1.00 25.00 S ATOM 0 H CYS A 7 -2.401 -6.445 -5.555 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.130 -8.889 -6.746 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -2.143 -7.871 -4.163 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.281 -9.183 -3.927 1.00 25.00 H new ATOM 97 N THR A 8 -5.392 -7.630 -4.662 1.00 25.00 N ATOM 98 CA THR A 8 -6.768 -7.751 -4.194 1.00 25.00 C ATOM 99 C THR A 8 -7.778 -7.088 -5.135 1.00 25.00 C ATOM 100 O THR A 8 -8.825 -6.663 -4.698 1.00 25.00 O ATOM 101 CB THR A 8 -6.909 -7.099 -2.773 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.624 -7.019 -2.151 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.796 -7.956 -1.855 1.00 25.00 C ATOM 0 H THR A 8 -4.869 -6.876 -4.216 1.00 25.00 H new ATOM 0 HA THR A 8 -6.990 -8.818 -4.159 1.00 25.00 H new ATOM 0 HB THR A 8 -7.352 -6.112 -2.910 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.181 -6.187 -2.421 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.876 -7.480 -0.878 1.00 25.00 H new ATOM 0 HG22 THR A 8 -8.789 -8.051 -2.294 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.353 -8.945 -1.741 1.00 25.00 H new ATOM 111 N SER A 9 -7.440 -6.973 -6.404 1.00 25.00 N ATOM 112 CA SER A 9 -8.309 -6.332 -7.403 1.00 25.00 C ATOM 113 C SER A 9 -7.915 -6.764 -8.798 1.00 25.00 C ATOM 114 O SER A 9 -6.994 -7.550 -8.985 1.00 25.00 O ATOM 115 CB SER A 9 -8.203 -4.813 -7.309 1.00 25.00 C ATOM 116 OG SER A 9 -8.608 -4.374 -6.040 1.00 25.00 O ATOM 0 H SER A 9 -6.558 -7.317 -6.784 1.00 25.00 H new ATOM 0 HA SER A 9 -9.335 -6.638 -7.201 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.176 -4.501 -7.498 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.823 -4.350 -8.076 1.00 25.00 H new ATOM 0 HG SER A 9 -9.053 -5.108 -5.567 1.00 25.00 H new ATOM 122 N ILE A 10 -8.593 -6.198 -9.780 1.00 25.00 N ATOM 123 CA ILE A 10 -8.187 -6.359 -11.169 1.00 25.00 C ATOM 124 C ILE A 10 -7.091 -5.330 -11.392 1.00 25.00 C ATOM 125 O ILE A 10 -7.294 -4.128 -11.150 1.00 25.00 O ATOM 126 CB ILE A 10 -9.349 -6.036 -12.163 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.560 -6.976 -11.927 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.855 -6.092 -13.623 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.351 -8.427 -12.314 1.00 25.00 C ATOM 0 H ILE A 10 -9.425 -5.624 -9.645 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.875 -7.388 -11.346 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.688 -5.018 -11.973 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.827 -6.936 -10.871 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.412 -6.589 -12.487 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.682 -5.864 -14.296 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.059 -5.362 -13.766 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.475 -7.090 -13.841 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.259 -8.993 -12.107 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.118 -8.490 -13.377 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.525 -8.842 -11.736 1.00 25.00 H new ATOM 141 N CYS A 11 -5.933 -5.751 -11.866 1.00 25.00 N ATOM 142 CA CYS A 11 -4.849 -4.801 -12.086 1.00 25.00 C ATOM 143 C CYS A 11 -5.139 -3.902 -13.291 1.00 25.00 C ATOM 144 O CYS A 11 -5.280 -4.387 -14.420 1.00 25.00 O ATOM 145 CB CYS A 11 -3.531 -5.528 -12.335 1.00 25.00 C ATOM 146 SG CYS A 11 -2.744 -6.192 -10.841 1.00 25.00 S ATOM 0 H CYS A 11 -5.717 -6.720 -12.102 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.771 -4.192 -11.186 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.709 -6.347 -13.032 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.838 -4.841 -12.821 1.00 25.00 H new ATOM 151 N SER A 12 -5.206 -2.597 -13.064 1.00 25.00 N ATOM 152 CA SER A 12 -5.363 -1.634 -14.148 1.00 25.00 C ATOM 153 C SER A 12 -4.066 -1.630 -14.943 1.00 25.00 C ATOM 154 O SER A 12 -2.989 -1.736 -14.352 1.00 25.00 O ATOM 155 CB SER A 12 -5.588 -0.232 -13.599 1.00 25.00 C ATOM 156 OG SER A 12 -6.715 -0.203 -12.744 1.00 25.00 O ATOM 0 H SER A 12 -5.154 -2.179 -12.135 1.00 25.00 H new ATOM 0 HA SER A 12 -6.220 -1.912 -14.761 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.703 0.096 -13.053 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.732 0.467 -14.423 1.00 25.00 H new ATOM 0 HG SER A 12 -6.842 0.706 -12.400 1.00 25.00 H new ATOM 162 N LEU A 13 -4.160 -1.498 -16.262 1.00 25.00 N ATOM 163 CA LEU A 13 -2.983 -1.532 -17.125 1.00 25.00 C ATOM 164 C LEU A 13 -1.930 -0.505 -16.686 1.00 25.00 C ATOM 165 O LEU A 13 -0.766 -0.813 -16.639 1.00 25.00 O ATOM 166 CB LEU A 13 -3.401 -1.277 -18.573 1.00 25.00 C ATOM 167 CG LEU A 13 -2.259 -1.266 -19.604 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.520 -2.594 -19.733 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.838 -0.902 -20.978 1.00 25.00 C ATOM 0 H LEU A 13 -5.041 -1.366 -16.758 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.530 -2.520 -17.044 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.121 -2.041 -18.864 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.917 -0.318 -18.620 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.533 -0.534 -19.250 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.731 -2.501 -20.480 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.080 -2.860 -18.772 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.220 -3.371 -20.040 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.038 -0.891 -21.718 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.587 -1.640 -21.264 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.300 0.084 -20.928 1.00 25.00 H new ATOM 181 N TYR A 14 -2.359 0.698 -16.319 1.00 25.00 N ATOM 182 CA TYR A 14 -1.428 1.764 -15.923 1.00 25.00 C ATOM 183 C TYR A 14 -0.722 1.461 -14.585 1.00 25.00 C ATOM 184 O TYR A 14 0.447 1.788 -14.395 1.00 25.00 O ATOM 185 CB TYR A 14 -2.152 3.127 -15.872 1.00 25.00 C ATOM 186 CG TYR A 14 -3.531 3.096 -15.255 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.712 3.251 -13.867 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.681 2.939 -16.076 1.00 25.00 C ATOM 189 CE1 TYR A 14 -5.004 3.230 -13.309 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.960 2.944 -15.527 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.117 3.080 -14.135 1.00 25.00 C ATOM 192 OH TYR A 14 -7.362 3.042 -13.606 1.00 25.00 O ATOM 0 H TYR A 14 -3.343 0.965 -16.286 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.650 1.811 -16.685 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.535 3.828 -15.310 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.233 3.516 -16.887 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -2.853 3.387 -13.226 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.560 2.814 -17.142 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -5.133 3.330 -12.241 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.826 2.844 -16.165 1.00 25.00 H new ATOM 0 HH TYR A 14 -8.020 2.934 -14.325 1.00 25.00 H new ATOM 202 N GLN A 15 -1.396 0.776 -13.676 1.00 25.00 N ATOM 203 CA GLN A 15 -0.746 0.373 -12.418 1.00 25.00 C ATOM 204 C GLN A 15 0.204 -0.799 -12.678 1.00 25.00 C ATOM 205 O GLN A 15 1.251 -0.889 -12.044 1.00 25.00 O ATOM 206 CB GLN A 15 -1.762 0.033 -11.330 1.00 25.00 C ATOM 207 CG GLN A 15 -2.502 1.252 -10.821 1.00 25.00 C ATOM 208 CD GLN A 15 -3.266 0.957 -9.533 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.684 0.759 -8.478 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.568 0.958 -9.617 1.00 25.00 N ATOM 0 H GLN A 15 -2.370 0.488 -13.771 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.169 1.221 -12.048 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.481 -0.686 -11.722 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.250 -0.450 -10.498 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -1.792 2.060 -10.645 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.198 1.599 -11.585 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -5.021 1.127 -10.515 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.133 0.790 -8.785 1.00 25.00 H new ATOM 219 N LEU A 16 -0.117 -1.633 -13.661 1.00 25.00 N ATOM 220 CA LEU A 16 0.784 -2.693 -14.068 1.00 25.00 C ATOM 221 C LEU A 16 2.025 -2.024 -14.683 1.00 25.00 C ATOM 222 O LEU A 16 3.145 -2.305 -14.288 1.00 25.00 O ATOM 223 CB LEU A 16 0.117 -3.629 -15.086 1.00 25.00 C ATOM 224 CG LEU A 16 0.875 -4.919 -15.450 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.078 -5.771 -16.252 1.00 25.00 C ATOM 226 CD2 LEU A 16 2.150 -4.710 -16.260 1.00 25.00 C ATOM 0 H LEU A 16 -0.991 -1.592 -14.185 1.00 25.00 H new ATOM 0 HA LEU A 16 1.058 -3.305 -13.208 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.862 -3.909 -14.698 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -0.053 -3.066 -16.003 1.00 25.00 H new ATOM 0 HG LEU A 16 1.199 -5.382 -14.518 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.415 -6.701 -16.535 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.959 -5.996 -15.651 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.380 -5.232 -17.150 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.612 -5.675 -16.467 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.907 -4.215 -17.200 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.844 -4.090 -15.693 1.00 25.00 H new ATOM 238 N GLU A 17 1.820 -1.110 -15.634 1.00 25.00 N ATOM 239 CA GLU A 17 2.950 -0.462 -16.300 1.00 25.00 C ATOM 240 C GLU A 17 3.804 0.330 -15.291 1.00 25.00 C ATOM 241 O GLU A 17 4.985 0.483 -15.491 1.00 25.00 O ATOM 242 CB GLU A 17 2.457 0.457 -17.421 1.00 25.00 C ATOM 243 CG GLU A 17 2.234 -0.282 -18.719 1.00 25.00 C ATOM 244 CD GLU A 17 1.911 0.662 -19.867 1.00 25.00 C ATOM 245 OE1 GLU A 17 2.847 1.159 -20.496 1.00 25.00 O ATOM 246 OE2 GLU A 17 0.706 0.905 -20.122 1.00 25.00 O ATOM 0 H GLU A 17 0.901 -0.807 -15.955 1.00 25.00 H new ATOM 0 HA GLU A 17 3.576 -1.240 -16.738 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.526 0.933 -17.113 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.184 1.253 -17.580 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.125 -0.859 -18.965 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.418 -0.994 -18.595 1.00 25.00 H new ATOM 253 N ASN A 18 3.215 0.765 -14.184 1.00 25.00 N ATOM 254 CA ASN A 18 3.971 1.457 -13.143 1.00 25.00 C ATOM 255 C ASN A 18 5.049 0.587 -12.477 1.00 25.00 C ATOM 256 O ASN A 18 5.966 1.118 -11.865 1.00 25.00 O ATOM 257 CB ASN A 18 3.022 1.998 -12.075 1.00 25.00 C ATOM 258 CG ASN A 18 3.638 3.096 -11.257 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.979 2.935 -10.089 1.00 25.00 O ATOM 260 ND2 ASN A 18 3.705 4.259 -11.838 1.00 25.00 N ATOM 0 H ASN A 18 2.221 0.653 -13.983 1.00 25.00 H new ATOM 0 HA ASN A 18 4.492 2.274 -13.643 1.00 25.00 H new ATOM 0 HB2 ASN A 18 2.117 2.371 -12.554 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.721 1.184 -11.416 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.048 5.068 -11.321 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.414 4.361 -12.810 1.00 25.00 H new ATOM 267 N TYR A 19 4.931 -0.736 -12.627 1.00 25.00 N ATOM 268 CA TYR A 19 5.929 -1.680 -12.132 1.00 25.00 C ATOM 269 C TYR A 19 7.042 -1.865 -13.179 1.00 25.00 C ATOM 270 O TYR A 19 8.101 -2.365 -12.865 1.00 25.00 O ATOM 271 CB TYR A 19 5.353 -3.087 -11.913 1.00 25.00 C ATOM 272 CG TYR A 19 4.284 -3.269 -10.849 1.00 25.00 C ATOM 273 CD1 TYR A 19 4.522 -2.972 -9.499 1.00 25.00 C ATOM 274 CD2 TYR A 19 3.043 -3.839 -11.201 1.00 25.00 C ATOM 275 CE1 TYR A 19 3.517 -3.250 -8.526 1.00 25.00 C ATOM 276 CE2 TYR A 19 2.062 -4.141 -10.250 1.00 25.00 C ATOM 277 CZ TYR A 19 2.292 -3.831 -8.920 1.00 25.00 C ATOM 278 OH TYR A 19 1.357 -4.102 -7.971 1.00 25.00 O ATOM 0 H TYR A 19 4.140 -1.179 -13.095 1.00 25.00 H new ATOM 0 HA TYR A 19 6.289 -1.262 -11.192 1.00 25.00 H new ATOM 0 HB2 TYR A 19 4.939 -3.429 -12.862 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.182 -3.751 -11.669 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.462 -2.535 -9.198 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.843 -4.050 -12.241 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.693 -3.016 -7.487 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.137 -4.610 -10.550 1.00 25.00 H new ATOM 0 HH TYR A 19 1.046 -5.026 -8.073 1.00 25.00 H new ATOM 288 N CYS A 20 6.740 -1.514 -14.419 1.00 25.00 N ATOM 289 CA CYS A 20 7.658 -1.712 -15.522 1.00 25.00 C ATOM 290 C CYS A 20 8.520 -0.432 -15.601 1.00 25.00 C ATOM 291 O CYS A 20 8.254 0.541 -14.899 1.00 25.00 O ATOM 292 CB CYS A 20 6.883 -1.954 -16.834 1.00 25.00 C ATOM 293 SG CYS A 20 7.842 -2.809 -18.127 1.00 25.00 S ATOM 0 H CYS A 20 5.854 -1.085 -14.685 1.00 25.00 H new ATOM 0 HA CYS A 20 8.286 -2.590 -15.370 1.00 25.00 H new ATOM 0 HB2 CYS A 20 5.991 -2.540 -16.612 1.00 25.00 H new ATOM 0 HB3 CYS A 20 6.545 -0.994 -17.224 1.00 25.00 H new ATOM 298 N ASN A 21 9.518 -0.439 -16.472 1.00 25.00 N ATOM 299 CA ASN A 21 10.399 0.707 -16.702 1.00 25.00 C ATOM 300 C ASN A 21 10.062 1.266 -18.075 1.00 25.00 C ATOM 301 O ASN A 21 9.617 0.464 -18.919 1.00 25.00 O ATOM 302 CB ASN A 21 11.880 0.285 -16.724 1.00 25.00 C ATOM 303 CG ASN A 21 12.354 -0.251 -15.414 1.00 25.00 C ATOM 304 OD1 ASN A 21 12.329 0.409 -14.396 1.00 25.00 O ATOM 305 ND2 ASN A 21 12.842 -1.468 -15.439 1.00 25.00 N ATOM 306 OXT ASN A 21 10.341 2.455 -18.313 1.00 25.00 O ATOM 0 H ASN A 21 9.746 -1.249 -17.049 1.00 25.00 H new ATOM 0 HA ASN A 21 10.254 1.433 -15.902 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.025 -0.473 -17.494 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.492 1.143 -17.002 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.215 -1.886 -14.586 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.849 -1.997 -16.311 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.228 -8.980 -22.633 1.00 25.00 N ATOM 315 CA PHE B 1 -2.533 -8.766 -21.194 1.00 25.00 C ATOM 316 C PHE B 1 -4.002 -9.069 -20.874 1.00 25.00 C ATOM 317 O PHE B 1 -4.313 -10.135 -20.348 1.00 25.00 O ATOM 318 CB PHE B 1 -2.186 -7.337 -20.745 1.00 25.00 C ATOM 319 CG PHE B 1 -2.513 -7.086 -19.319 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.211 -8.060 -18.357 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.184 -5.916 -18.921 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.561 -7.908 -17.028 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.541 -5.724 -17.568 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.225 -6.751 -16.616 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.226 -8.765 -22.811 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.420 -9.971 -22.885 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.824 -8.354 -23.211 1.00 25.00 H new ATOM 0 HA PHE B 1 -1.907 -9.464 -20.639 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.123 -7.159 -20.906 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -2.727 -6.624 -21.368 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.690 -8.955 -18.663 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.428 -5.161 -19.653 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.322 -8.681 -16.312 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.043 -4.820 -17.255 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.501 -6.628 -15.579 1.00 25.00 H new ATOM 336 N VAL B 2 -4.902 -8.139 -21.217 1.00 25.00 N ATOM 337 CA VAL B 2 -6.349 -8.288 -20.994 1.00 25.00 C ATOM 338 C VAL B 2 -6.768 -8.495 -19.505 1.00 25.00 C ATOM 339 O VAL B 2 -7.607 -9.333 -19.190 1.00 25.00 O ATOM 340 CB VAL B 2 -6.978 -9.383 -21.939 1.00 25.00 C ATOM 341 CG1 VAL B 2 -8.485 -9.087 -22.197 1.00 25.00 C ATOM 342 CG2 VAL B 2 -6.229 -9.427 -23.307 1.00 25.00 C ATOM 0 H VAL B 2 -4.647 -7.256 -21.660 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.770 -7.320 -21.265 1.00 25.00 H new ATOM 0 HB VAL B 2 -6.878 -10.347 -21.440 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.900 -9.854 -22.851 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.023 -9.088 -21.249 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.588 -8.111 -22.671 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.679 -10.189 -23.944 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.305 -8.455 -23.795 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.179 -9.668 -23.139 1.00 25.00 H new ATOM 352 N ASN B 3 -6.287 -7.586 -18.656 1.00 25.00 N ATOM 353 CA ASN B 3 -6.730 -7.453 -17.249 1.00 25.00 C ATOM 354 C ASN B 3 -6.593 -8.727 -16.388 1.00 25.00 C ATOM 355 O ASN B 3 -5.499 -9.258 -16.333 1.00 25.00 O ATOM 356 CB ASN B 3 -8.181 -6.906 -17.236 1.00 25.00 C ATOM 357 CG ASN B 3 -8.288 -5.533 -17.829 1.00 25.00 C ATOM 358 OD1 ASN B 3 -7.644 -4.592 -17.411 1.00 25.00 O ATOM 359 ND2 ASN B 3 -9.144 -5.385 -18.818 1.00 25.00 N ATOM 0 H ASN B 3 -5.571 -6.909 -18.919 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.047 -6.752 -16.770 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.827 -7.588 -17.790 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.547 -6.883 -16.210 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -9.275 -4.469 -19.246 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.676 -6.187 -19.156 1.00 25.00 H new ATOM 366 N GLN B 4 -7.698 -9.132 -15.737 1.00 25.00 N ATOM 367 CA GLN B 4 -7.787 -10.258 -14.770 1.00 25.00 C ATOM 368 C GLN B 4 -7.257 -9.877 -13.369 1.00 25.00 C ATOM 369 O GLN B 4 -6.584 -8.861 -13.193 1.00 25.00 O ATOM 370 CB GLN B 4 -7.073 -11.528 -15.266 1.00 25.00 C ATOM 371 CG GLN B 4 -7.465 -11.960 -16.699 1.00 25.00 C ATOM 372 CD GLN B 4 -6.461 -12.944 -17.261 1.00 25.00 C ATOM 373 OE1 GLN B 4 -6.462 -14.113 -16.918 1.00 25.00 O ATOM 374 NE2 GLN B 4 -5.614 -12.469 -18.158 1.00 25.00 N ATOM 0 H GLN B 4 -8.596 -8.668 -15.871 1.00 25.00 H new ATOM 0 HA GLN B 4 -8.852 -10.477 -14.689 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -5.996 -11.363 -15.231 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -7.293 -12.346 -14.580 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.457 -12.412 -16.688 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.522 -11.084 -17.345 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -5.646 -11.483 -18.418 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -4.928 -13.088 -18.590 1.00 25.00 H new ATOM 383 N HIS B 5 -7.551 -10.711 -12.376 1.00 25.00 N ATOM 384 CA HIS B 5 -6.925 -10.586 -11.040 1.00 25.00 C ATOM 385 C HIS B 5 -5.576 -11.242 -11.268 1.00 25.00 C ATOM 386 O HIS B 5 -5.508 -12.211 -12.018 1.00 25.00 O ATOM 387 CB HIS B 5 -7.665 -11.369 -9.978 1.00 25.00 C ATOM 388 CG HIS B 5 -8.628 -10.562 -9.180 1.00 25.00 C ATOM 389 ND1 HIS B 5 -9.899 -10.266 -9.565 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.485 -9.996 -7.954 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.468 -9.526 -8.606 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.654 -9.350 -7.592 1.00 25.00 N ATOM 0 H HIS B 5 -8.214 -11.481 -12.459 1.00 25.00 H new ATOM 0 HA HIS B 5 -6.902 -9.554 -10.690 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.204 -12.187 -10.456 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -6.938 -11.818 -9.302 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.591 -10.043 -7.350 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.469 -9.125 -8.660 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -9.842 -8.846 -6.725 1.00 25.00 H new ATOM 400 N LEU B 6 -4.519 -10.761 -10.626 1.00 25.00 N ATOM 401 CA LEU B 6 -3.180 -11.298 -10.896 1.00 25.00 C ATOM 402 C LEU B 6 -2.395 -11.816 -9.697 1.00 25.00 C ATOM 403 O LEU B 6 -1.219 -12.104 -9.815 1.00 25.00 O ATOM 404 CB LEU B 6 -2.346 -10.223 -11.586 1.00 25.00 C ATOM 405 CG LEU B 6 -2.887 -9.647 -12.911 1.00 25.00 C ATOM 406 CD1 LEU B 6 -1.906 -8.599 -13.366 1.00 25.00 C ATOM 407 CD2 LEU B 6 -3.069 -10.674 -14.047 1.00 25.00 C ATOM 0 H LEU B 6 -4.553 -10.017 -9.929 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.359 -12.175 -11.518 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.217 -9.397 -10.887 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.356 -10.636 -11.778 1.00 25.00 H new ATOM 0 HG LEU B 6 -3.885 -9.259 -12.708 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.249 -8.162 -14.304 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -1.830 -7.819 -12.609 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.928 -9.056 -13.515 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.453 -10.171 -14.934 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -2.109 -11.135 -14.278 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.774 -11.443 -13.732 1.00 25.00 H new ATOM 419 N CYS B 7 -3.001 -11.884 -8.525 1.00 25.00 N ATOM 420 CA CYS B 7 -2.234 -12.301 -7.347 1.00 25.00 C ATOM 421 C CYS B 7 -1.734 -13.736 -7.494 1.00 25.00 C ATOM 422 O CYS B 7 -2.519 -14.621 -7.815 1.00 25.00 O ATOM 423 CB CYS B 7 -3.090 -12.162 -6.090 1.00 25.00 C ATOM 424 SG CYS B 7 -2.098 -11.756 -4.610 1.00 25.00 S ATOM 0 H CYS B 7 -3.983 -11.667 -8.357 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.363 -11.651 -7.259 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.837 -11.384 -6.247 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.630 -13.093 -5.917 1.00 25.00 H new ATOM 429 N GLY B 8 -0.436 -13.940 -7.308 1.00 25.00 N ATOM 430 CA GLY B 8 0.190 -15.242 -7.537 1.00 25.00 C ATOM 431 C GLY B 8 1.120 -15.088 -8.748 1.00 25.00 C ATOM 432 O GLY B 8 1.558 -13.989 -9.072 1.00 25.00 O ATOM 0 H GLY B 8 0.211 -13.215 -6.997 1.00 25.00 H new ATOM 0 HA2 GLY B 8 0.751 -15.560 -6.658 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -0.565 -16.005 -7.726 1.00 25.00 H new ATOM 436 N SER B 9 1.392 -16.209 -9.404 1.00 25.00 N ATOM 437 CA SER B 9 2.286 -16.217 -10.583 1.00 25.00 C ATOM 438 C SER B 9 1.709 -15.474 -11.788 1.00 25.00 C ATOM 439 O SER B 9 2.424 -15.156 -12.729 1.00 25.00 O ATOM 440 CB SER B 9 2.553 -17.671 -10.959 1.00 25.00 C ATOM 441 OG SER B 9 2.396 -18.492 -9.810 1.00 25.00 O ATOM 0 H SER B 9 1.016 -17.123 -9.152 1.00 25.00 H new ATOM 0 HA SER B 9 3.202 -15.692 -10.313 1.00 25.00 H new ATOM 0 HB2 SER B 9 1.865 -17.988 -11.743 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.562 -17.775 -11.359 1.00 25.00 H new ATOM 0 HG SER B 9 2.566 -19.427 -10.050 1.00 25.00 H new ATOM 447 N HIS B 10 0.426 -15.158 -11.748 1.00 25.00 N ATOM 448 CA HIS B 10 -0.210 -14.486 -12.875 1.00 25.00 C ATOM 449 C HIS B 10 0.428 -13.116 -13.123 1.00 25.00 C ATOM 450 O HIS B 10 0.450 -12.633 -14.253 1.00 25.00 O ATOM 451 CB HIS B 10 -1.693 -14.293 -12.585 1.00 25.00 C ATOM 452 CG HIS B 10 -2.358 -15.460 -11.912 1.00 25.00 C ATOM 453 ND1 HIS B 10 -2.826 -15.452 -10.616 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.654 -16.713 -12.387 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.354 -16.643 -10.353 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.278 -17.454 -11.391 1.00 25.00 N ATOM 0 H HIS B 10 -0.192 -15.351 -10.960 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.076 -15.106 -13.762 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -1.815 -13.411 -11.956 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.209 -14.089 -13.523 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -2.776 -14.666 -9.968 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -2.435 -17.069 -13.383 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -3.792 -16.914 -9.404 1.00 25.00 H new ATOM 464 N LEU B 11 0.922 -12.483 -12.064 1.00 25.00 N ATOM 465 CA LEU B 11 1.537 -11.163 -12.169 1.00 25.00 C ATOM 466 C LEU B 11 2.828 -11.238 -12.976 1.00 25.00 C ATOM 467 O LEU B 11 3.167 -10.307 -13.667 1.00 25.00 O ATOM 468 CB LEU B 11 1.857 -10.599 -10.782 1.00 25.00 C ATOM 469 CG LEU B 11 2.093 -9.078 -10.779 1.00 25.00 C ATOM 470 CD1 LEU B 11 0.866 -8.349 -10.213 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.334 -8.727 -9.951 1.00 25.00 C ATOM 0 H LEU B 11 0.908 -12.865 -11.118 1.00 25.00 H new ATOM 0 HA LEU B 11 0.826 -10.507 -12.671 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.036 -10.833 -10.105 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.744 -11.097 -10.391 1.00 25.00 H new ATOM 0 HG LEU B 11 2.255 -8.756 -11.808 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.047 -7.274 -10.217 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.006 -8.572 -10.828 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.684 -8.682 -9.191 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.485 -7.647 -9.961 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.194 -9.065 -8.924 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.208 -9.219 -10.378 1.00 25.00 H new ATOM 483 N VAL B 12 3.505 -12.382 -12.912 1.00 25.00 N ATOM 484 CA VAL B 12 4.741 -12.577 -13.641 1.00 25.00 C ATOM 485 C VAL B 12 4.415 -12.612 -15.129 1.00 25.00 C ATOM 486 O VAL B 12 5.078 -11.969 -15.918 1.00 25.00 O ATOM 487 CB VAL B 12 5.494 -13.867 -13.213 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.838 -13.996 -13.972 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.752 -13.849 -11.676 1.00 25.00 C ATOM 0 H VAL B 12 3.211 -13.187 -12.359 1.00 25.00 H new ATOM 0 HA VAL B 12 5.412 -11.749 -13.413 1.00 25.00 H new ATOM 0 HB VAL B 12 4.872 -14.727 -13.463 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.348 -14.906 -13.657 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.648 -14.040 -15.044 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.466 -13.133 -13.750 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.280 -14.757 -11.385 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.357 -12.979 -11.419 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.800 -13.798 -11.148 1.00 25.00 H new ATOM 499 N GLU B 13 3.366 -13.342 -15.505 1.00 25.00 N ATOM 500 CA GLU B 13 2.966 -13.436 -16.907 1.00 25.00 C ATOM 501 C GLU B 13 2.488 -12.066 -17.410 1.00 25.00 C ATOM 502 O GLU B 13 2.854 -11.640 -18.492 1.00 25.00 O ATOM 503 CB GLU B 13 1.838 -14.441 -17.092 1.00 25.00 C ATOM 504 CG GLU B 13 2.231 -15.867 -16.801 1.00 25.00 C ATOM 505 CD GLU B 13 1.069 -16.830 -17.045 1.00 25.00 C ATOM 506 OE1 GLU B 13 -0.006 -16.616 -16.454 1.00 25.00 O ATOM 507 OE2 GLU B 13 1.226 -17.770 -17.842 1.00 25.00 O ATOM 0 H GLU B 13 2.781 -13.874 -14.861 1.00 25.00 H new ATOM 0 HA GLU B 13 3.835 -13.766 -17.477 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.008 -14.164 -16.441 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.474 -14.378 -18.117 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.076 -16.148 -17.430 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.562 -15.950 -15.766 1.00 25.00 H new ATOM 514 N ALA B 14 1.690 -11.392 -16.600 1.00 25.00 N ATOM 515 CA ALA B 14 1.184 -10.051 -16.897 1.00 25.00 C ATOM 516 C ALA B 14 2.359 -9.098 -17.199 1.00 25.00 C ATOM 517 O ALA B 14 2.345 -8.405 -18.196 1.00 25.00 O ATOM 518 CB ALA B 14 0.413 -9.579 -15.745 1.00 25.00 C ATOM 0 H ALA B 14 1.368 -11.760 -15.705 1.00 25.00 H new ATOM 0 HA ALA B 14 0.541 -10.077 -17.776 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.028 -8.580 -15.949 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.420 -10.258 -15.561 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.056 -9.547 -14.865 1.00 25.00 H new ATOM 524 N LEU B 15 3.342 -9.054 -16.317 1.00 25.00 N ATOM 525 CA LEU B 15 4.491 -8.175 -16.478 1.00 25.00 C ATOM 526 C LEU B 15 5.261 -8.551 -17.732 1.00 25.00 C ATOM 527 O LEU B 15 5.640 -7.678 -18.501 1.00 25.00 O ATOM 528 CB LEU B 15 5.418 -8.289 -15.259 1.00 25.00 C ATOM 529 CG LEU B 15 5.374 -7.154 -14.220 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.803 -5.822 -14.809 1.00 25.00 C ATOM 531 CD2 LEU B 15 3.998 -6.977 -13.592 1.00 25.00 C ATOM 0 H LEU B 15 3.368 -9.624 -15.471 1.00 25.00 H new ATOM 0 HA LEU B 15 4.135 -7.149 -16.565 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.185 -9.222 -14.747 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.442 -8.372 -15.623 1.00 25.00 H new ATOM 0 HG LEU B 15 6.079 -7.459 -13.446 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.756 -5.052 -14.039 1.00 25.00 H new ATOM 0 HD12 LEU B 15 6.824 -5.901 -15.181 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.137 -5.556 -15.630 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.030 -6.163 -12.868 1.00 25.00 H new ATOM 0 HD22 LEU B 15 3.271 -6.743 -14.369 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.707 -7.899 -13.088 1.00 25.00 H new ATOM 543 N TYR B 16 5.438 -9.846 -17.981 1.00 25.00 N ATOM 544 CA TYR B 16 6.162 -10.304 -19.164 1.00 25.00 C ATOM 545 C TYR B 16 5.438 -9.852 -20.437 1.00 25.00 C ATOM 546 O TYR B 16 6.051 -9.382 -21.372 1.00 25.00 O ATOM 547 CB TYR B 16 6.299 -11.842 -19.136 1.00 25.00 C ATOM 548 CG TYR B 16 7.026 -12.415 -20.323 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.427 -12.385 -20.384 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.324 -12.974 -21.410 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.130 -12.924 -21.500 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.023 -13.498 -22.524 1.00 25.00 C ATOM 553 CZ TYR B 16 8.429 -13.465 -22.562 1.00 25.00 C ATOM 554 OH TYR B 16 9.103 -14.001 -23.635 1.00 25.00 O ATOM 0 H TYR B 16 5.091 -10.595 -17.382 1.00 25.00 H new ATOM 0 HA TYR B 16 7.159 -9.865 -19.161 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.824 -12.133 -18.226 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.304 -12.284 -19.085 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.983 -11.945 -19.570 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.245 -13.003 -21.393 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.210 -12.910 -21.516 1.00 25.00 H new ATOM 0 HE2 TYR B 16 6.474 -13.926 -23.350 1.00 25.00 H new ATOM 0 HH TYR B 16 8.458 -14.338 -24.291 1.00 25.00 H new ATOM 564 N LEU B 17 4.116 -9.992 -20.443 1.00 25.00 N ATOM 565 CA LEU B 17 3.304 -9.626 -21.601 1.00 25.00 C ATOM 566 C LEU B 17 3.308 -8.141 -21.879 1.00 25.00 C ATOM 567 O LEU B 17 3.254 -7.745 -23.028 1.00 25.00 O ATOM 568 CB LEU B 17 1.841 -10.046 -21.413 1.00 25.00 C ATOM 569 CG LEU B 17 1.553 -11.538 -21.543 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.123 -11.821 -21.070 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.735 -12.048 -22.986 1.00 25.00 C ATOM 0 H LEU B 17 3.581 -10.358 -19.655 1.00 25.00 H new ATOM 0 HA LEU B 17 3.758 -10.152 -22.441 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.513 -9.717 -20.427 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.234 -9.514 -22.145 1.00 25.00 H new ATOM 0 HG LEU B 17 2.272 -12.070 -20.920 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.086 -12.887 -21.162 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.018 -11.519 -20.028 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.581 -11.259 -21.684 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.518 -13.115 -23.025 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.054 -11.515 -23.649 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.762 -11.875 -23.306 1.00 25.00 H new ATOM 583 N VAL B 18 3.281 -7.315 -20.848 1.00 25.00 N ATOM 584 CA VAL B 18 3.188 -5.866 -21.051 1.00 25.00 C ATOM 585 C VAL B 18 4.570 -5.227 -21.291 1.00 25.00 C ATOM 586 O VAL B 18 4.745 -4.396 -22.191 1.00 25.00 O ATOM 587 CB VAL B 18 2.462 -5.220 -19.860 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.365 -3.707 -20.017 1.00 25.00 C ATOM 589 CG2 VAL B 18 1.034 -5.778 -19.737 1.00 25.00 C ATOM 0 H VAL B 18 3.321 -7.609 -19.872 1.00 25.00 H new ATOM 0 HA VAL B 18 2.606 -5.683 -21.954 1.00 25.00 H new ATOM 0 HB VAL B 18 3.043 -5.454 -18.968 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.846 -3.284 -19.157 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.367 -3.283 -20.080 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.813 -3.470 -20.926 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.533 -5.311 -18.889 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.479 -5.563 -20.650 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.077 -6.856 -19.584 1.00 25.00 H new ATOM 599 N CYS B 19 5.578 -5.682 -20.573 1.00 25.00 N ATOM 600 CA CYS B 19 6.958 -5.216 -20.838 1.00 25.00 C ATOM 601 C CYS B 19 7.517 -5.905 -22.083 1.00 25.00 C ATOM 602 O CYS B 19 8.656 -5.660 -22.488 1.00 25.00 O ATOM 603 CB CYS B 19 7.868 -5.507 -19.617 1.00 25.00 C ATOM 604 SG CYS B 19 7.292 -4.770 -18.037 1.00 25.00 S ATOM 0 H CYS B 19 5.490 -6.359 -19.815 1.00 25.00 H new ATOM 0 HA CYS B 19 6.935 -4.140 -21.010 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.949 -6.587 -19.490 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.870 -5.136 -19.831 1.00 25.00 H new ATOM 609 N GLY B 20 6.727 -6.788 -22.688 1.00 25.00 N ATOM 610 CA GLY B 20 7.100 -7.502 -23.910 1.00 25.00 C ATOM 611 C GLY B 20 8.081 -8.644 -23.755 1.00 25.00 C ATOM 612 O GLY B 20 7.812 -9.752 -24.195 1.00 25.00 O ATOM 0 H GLY B 20 5.799 -7.032 -22.341 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.191 -7.893 -24.367 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.524 -6.782 -24.610 1.00 25.00 H new ATOM 616 N GLU B 21 9.235 -8.380 -23.151 1.00 25.00 N ATOM 617 CA GLU B 21 10.298 -9.388 -22.989 1.00 25.00 C ATOM 618 C GLU B 21 10.877 -9.454 -21.560 1.00 25.00 C ATOM 619 O GLU B 21 11.135 -10.526 -21.030 1.00 25.00 O ATOM 620 CB GLU B 21 11.459 -9.061 -23.934 1.00 25.00 C ATOM 621 CG GLU B 21 11.074 -9.050 -25.396 1.00 25.00 C ATOM 622 CD GLU B 21 12.264 -8.817 -26.296 1.00 25.00 C ATOM 623 OE1 GLU B 21 13.222 -8.114 -25.882 1.00 25.00 O ATOM 624 OE2 GLU B 21 12.282 -9.351 -27.424 1.00 25.00 O ATOM 0 H GLU B 21 9.467 -7.468 -22.759 1.00 25.00 H new ATOM 0 HA GLU B 21 9.835 -10.349 -23.213 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.867 -8.086 -23.668 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.254 -9.791 -23.783 1.00 25.00 H new ATOM 0 HG2 GLU B 21 10.606 -10.000 -25.654 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.331 -8.271 -25.569 1.00 25.00 H new ATOM 631 N ARG B 22 11.128 -8.288 -20.969 1.00 25.00 N ATOM 632 CA ARG B 22 11.802 -8.204 -19.669 1.00 25.00 C ATOM 633 C ARG B 22 11.573 -6.813 -19.077 1.00 25.00 C ATOM 634 O ARG B 22 11.190 -5.927 -19.793 1.00 25.00 O ATOM 635 CB ARG B 22 13.312 -8.412 -19.856 1.00 25.00 C ATOM 636 CG ARG B 22 14.006 -7.329 -20.690 1.00 25.00 C ATOM 637 CD ARG B 22 15.377 -7.785 -21.127 1.00 25.00 C ATOM 638 NE ARG B 22 16.311 -8.016 -20.001 1.00 25.00 N ATOM 639 CZ ARG B 22 17.126 -9.054 -19.907 1.00 25.00 C ATOM 640 NH1 ARG B 22 17.194 -9.967 -20.852 1.00 25.00 N ATOM 641 NH2 ARG B 22 17.883 -9.176 -18.859 1.00 25.00 N ATOM 0 H ARG B 22 10.875 -7.384 -21.369 1.00 25.00 H new ATOM 0 HA ARG B 22 11.402 -8.971 -19.005 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.784 -8.455 -18.874 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.476 -9.379 -20.331 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.400 -7.094 -21.565 1.00 25.00 H new ATOM 0 HG3 ARG B 22 14.092 -6.413 -20.106 1.00 25.00 H new ATOM 0 HD2 ARG B 22 15.279 -8.706 -21.701 1.00 25.00 H new ATOM 0 HD3 ARG B 22 15.804 -7.037 -21.795 1.00 25.00 H new ATOM 0 HE ARG B 22 16.327 -7.329 -19.247 1.00 25.00 H new ATOM 0 HH11 ARG B 22 16.609 -9.885 -21.684 1.00 25.00 H new ATOM 0 HH12 ARG B 22 17.832 -10.757 -20.753 1.00 25.00 H new ATOM 0 HH21 ARG B 22 17.846 -8.476 -18.119 1.00 25.00 H new ATOM 0 HH22 ARG B 22 18.515 -9.972 -18.776 1.00 25.00 H new ATOM 655 N GLY B 23 11.842 -6.660 -17.784 1.00 25.00 N ATOM 656 CA GLY B 23 11.629 -5.357 -17.139 1.00 25.00 C ATOM 657 C GLY B 23 11.086 -5.459 -15.734 1.00 25.00 C ATOM 658 O GLY B 23 10.618 -4.481 -15.196 1.00 25.00 O ATOM 0 H GLY B 23 12.198 -7.395 -17.172 1.00 25.00 H new ATOM 0 HA2 GLY B 23 12.574 -4.814 -17.116 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.939 -4.770 -17.745 1.00 25.00 H new ATOM 662 N PHE B 24 11.129 -6.657 -15.131 1.00 25.00 N ATOM 663 CA PHE B 24 10.550 -6.899 -13.783 1.00 25.00 C ATOM 664 C PHE B 24 11.445 -7.751 -12.861 1.00 25.00 C ATOM 665 O PHE B 24 11.509 -7.496 -11.660 1.00 25.00 O ATOM 666 CB PHE B 24 9.181 -7.579 -13.954 1.00 25.00 C ATOM 667 CG PHE B 24 9.213 -8.819 -14.816 1.00 25.00 C ATOM 668 CD1 PHE B 24 9.074 -8.710 -16.233 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.345 -10.109 -14.253 1.00 25.00 C ATOM 670 CE1 PHE B 24 9.070 -9.856 -17.043 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.328 -11.260 -15.068 1.00 25.00 C ATOM 672 CZ PHE B 24 9.198 -11.130 -16.471 1.00 25.00 C ATOM 0 H PHE B 24 11.559 -7.482 -15.550 1.00 25.00 H new ATOM 0 HA PHE B 24 10.457 -5.929 -13.294 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.793 -7.843 -12.970 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.484 -6.864 -14.390 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.971 -7.735 -16.686 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.460 -10.215 -13.184 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.968 -9.756 -18.114 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.414 -12.240 -14.622 1.00 25.00 H new ATOM 0 HZ PHE B 24 9.197 -12.009 -17.099 1.00 25.00 H new ATOM 682 N PHE B 25 12.102 -8.760 -13.435 1.00 25.00 N ATOM 683 CA PHE B 25 12.962 -9.713 -12.712 1.00 25.00 C ATOM 684 C PHE B 25 12.253 -10.478 -11.588 1.00 25.00 C ATOM 685 O PHE B 25 12.195 -10.057 -10.420 1.00 25.00 O ATOM 686 CB PHE B 25 14.233 -9.052 -12.169 1.00 25.00 C ATOM 687 CG PHE B 25 15.264 -10.044 -11.711 1.00 25.00 C ATOM 688 CD1 PHE B 25 16.156 -10.630 -12.650 1.00 25.00 C ATOM 689 CD2 PHE B 25 15.368 -10.382 -10.346 1.00 25.00 C ATOM 690 CE1 PHE B 25 17.114 -11.556 -12.215 1.00 25.00 C ATOM 691 CE2 PHE B 25 16.325 -11.305 -9.918 1.00 25.00 C ATOM 692 CZ PHE B 25 17.192 -11.906 -10.857 1.00 25.00 C ATOM 0 H PHE B 25 12.054 -8.946 -14.437 1.00 25.00 H new ATOM 0 HA PHE B 25 13.237 -10.448 -13.469 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.666 -8.419 -12.944 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.969 -8.401 -11.336 1.00 25.00 H new ATOM 0 HD1 PHE B 25 16.096 -10.363 -13.695 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.704 -9.925 -9.627 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.794 -12.002 -12.926 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.402 -11.559 -8.871 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.917 -12.637 -10.530 1.00 25.00 H new HETATM 702 N NVA B 26 11.785 -11.684 -11.973 1.00 25.00 N HETATM 703 CA NVA B 26 11.228 -12.693 -11.061 1.00 25.00 C HETATM 704 CB NVA B 26 10.175 -13.587 -11.824 1.00 25.00 C HETATM 705 CG NVA B 26 9.426 -14.565 -10.865 1.00 25.00 C HETATM 706 CD NVA B 26 9.263 -16.001 -11.483 1.00 25.00 C HETATM 707 C NVA B 26 12.370 -13.506 -10.393 1.00 25.00 C HETATM 708 O NVA B 26 13.100 -14.247 -11.027 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.972 -14.637 -9.924 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.442 -14.159 -10.632 1.00 25.00 H new HETATM 0 HD3 NVA B 26 8.693 -15.936 -12.410 1.00 25.00 H new HETATM 0 HD2 NVA B 26 10.247 -16.421 -11.691 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.450 -12.945 -12.324 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.682 -14.160 -12.601 1.00 25.00 H new HETATM 0 HA NVA B 26 10.689 -12.206 -10.248 1.00 25.00 H new HETATM 0 H NVA B 26 11.473 -11.646 -12.943 1.00 25.00 H new ATOM 717 N THR B 27 12.505 -13.303 -9.055 1.00 25.00 N ATOM 718 CA THR B 27 13.437 -13.998 -8.153 1.00 25.00 C ATOM 719 C THR B 27 12.917 -15.448 -8.099 1.00 25.00 C ATOM 720 O THR B 27 11.800 -15.716 -8.508 1.00 25.00 O ATOM 721 CB THR B 27 13.399 -13.337 -6.773 1.00 25.00 C ATOM 722 OG1 THR B 27 12.042 -13.019 -6.479 1.00 25.00 O ATOM 723 CG2 THR B 27 14.152 -12.001 -6.776 1.00 25.00 C ATOM 0 H THR B 27 11.935 -12.616 -8.562 1.00 25.00 H new ATOM 0 HA THR B 27 14.473 -13.960 -8.490 1.00 25.00 H new ATOM 0 HB THR B 27 13.850 -14.021 -6.054 1.00 25.00 H new ATOM 0 HG1 THR B 27 11.887 -12.065 -6.641 1.00 25.00 H new ATOM 0 HG21 THR B 27 14.107 -11.556 -5.782 1.00 25.00 H new ATOM 0 HG22 THR B 27 15.193 -12.171 -7.051 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.692 -11.326 -7.497 1.00 25.00 H new ATOM 731 N PRO B 28 13.741 -16.430 -7.663 1.00 25.00 N ATOM 732 CA PRO B 28 13.197 -17.806 -7.788 1.00 25.00 C ATOM 733 C PRO B 28 11.976 -18.145 -6.940 1.00 25.00 C ATOM 734 O PRO B 28 11.817 -17.649 -5.825 1.00 25.00 O ATOM 735 CB PRO B 28 14.398 -18.675 -7.404 1.00 25.00 C ATOM 736 CG PRO B 28 15.204 -17.788 -6.489 1.00 25.00 C ATOM 737 CD PRO B 28 15.109 -16.439 -7.129 1.00 25.00 C ATOM 0 HA PRO B 28 12.803 -17.960 -8.792 1.00 25.00 H new ATOM 0 HB2 PRO B 28 14.085 -19.590 -6.901 1.00 25.00 H new ATOM 0 HB3 PRO B 28 14.973 -18.973 -8.281 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.797 -17.781 -5.478 1.00 25.00 H new ATOM 0 HG3 PRO B 28 16.238 -18.124 -6.414 1.00 25.00 H new ATOM 0 HD2 PRO B 28 15.267 -15.637 -6.408 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.852 -16.311 -7.916 1.00 25.00 H new HETATM 745 N HIX B 29 11.104 -19.005 -7.520 1.00 25.00 N HETATM 746 CA HIX B 29 9.810 -19.474 -6.931 1.00 25.00 C HETATM 747 C HIX B 29 9.444 -20.895 -7.416 1.00 25.00 C HETATM 748 O HIX B 29 8.862 -21.117 -8.485 1.00 25.00 O HETATM 749 CB HIX B 29 8.622 -18.467 -7.144 1.00 25.00 C HETATM 750 CG HIX B 29 8.506 -18.009 -8.594 1.00 25.00 C HETATM 751 CD2 HIX B 29 9.279 -17.204 -9.213 1.00 25.00 C HETATM 752 ND1 HIX B 29 7.491 -18.350 -9.424 1.00 25.00 N HETATM 753 NE1 HIX B 29 7.712 -17.844 -10.768 1.00 25.00 N HETATM 754 NE2 HIX B 29 8.828 -16.970 -10.472 1.00 25.00 N ATOM 762 N THR B 30 9.851 -21.880 -6.595 1.00 25.00 N ATOM 763 CA THR B 30 9.650 -23.300 -6.812 1.00 25.00 C ATOM 764 C THR B 30 9.347 -23.896 -5.449 1.00 25.00 C ATOM 765 O THR B 30 8.446 -24.752 -5.315 1.00 25.00 O ATOM 766 CB THR B 30 10.928 -23.956 -7.383 1.00 25.00 C ATOM 767 OG1 THR B 30 11.407 -23.191 -8.492 1.00 25.00 O ATOM 768 CG2 THR B 30 10.643 -25.372 -7.838 1.00 25.00 C ATOM 769 OXT THR B 30 10.002 -23.416 -4.495 1.00 25.00 O ATOM 0 H THR B 30 10.350 -21.685 -5.727 1.00 25.00 H new ATOM 0 HA THR B 30 8.844 -23.471 -7.526 1.00 25.00 H new ATOM 0 HB THR B 30 11.684 -23.983 -6.598 1.00 25.00 H new ATOM 0 HG1 THR B 30 12.218 -23.608 -8.851 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.555 -25.817 -8.237 1.00 25.00 H new ATOM 0 HG22 THR B 30 10.291 -25.962 -6.992 1.00 25.00 H new ATOM 0 HG23 THR B 30 9.877 -25.358 -8.614 1.00 25.00 H new TER 777 THR B 30