USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 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 HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) 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+ -127:sc= 0.0584 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.764 USER MOD Single : A 9 SER OG : rot -153:sc= 0.751 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 19 TYR OH : rot 110:sc= -0.0734 USER MOD Single : A 21 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.2) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 5 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-1.3) USER MOD Single : B 9 SER OG : rot -30:sc= 0.127 USER MOD Single : B 10 HIS : no HE2:sc= 0.393 K(o=0.39,f=-1.3) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -60:sc= 1.22 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.489 -1.203 0.000 1.00 25.00 N ATOM 2 CA GLY A 1 1.154 -0.548 -1.204 1.00 25.00 C ATOM 3 C GLY A 1 0.612 -1.056 -2.534 1.00 25.00 C ATOM 4 O GLY A 1 -0.380 -1.802 -2.550 1.00 25.00 O ATOM 0 H1 GLY A 1 0.131 -0.467 0.642 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.302 -1.797 -0.321 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.183 -1.793 0.502 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.011 0.531 -1.148 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.228 -0.730 -1.162 1.00 25.00 H new ATOM 10 N ILE A 2 1.282 -0.751 -3.659 1.00 25.00 N ATOM 11 CA ILE A 2 0.792 -1.191 -4.977 1.00 25.00 C ATOM 12 C ILE A 2 0.691 -2.711 -5.108 1.00 25.00 C ATOM 13 O ILE A 2 -0.265 -3.228 -5.737 1.00 25.00 O ATOM 14 CB ILE A 2 1.684 -0.588 -6.115 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.899 -0.709 -7.433 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.126 -1.243 -6.155 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.525 0.003 -8.604 1.00 25.00 C ATOM 0 H ILE A 2 2.148 -0.212 -3.684 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.225 -0.813 -5.077 1.00 25.00 H new ATOM 0 HB ILE A 2 1.888 0.466 -5.928 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.793 -1.765 -7.681 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.106 -0.315 -7.280 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.708 -0.793 -6.960 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.630 -1.072 -5.204 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.034 -2.315 -6.329 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.904 -0.136 -9.489 1.00 25.00 H new ATOM 0 HD12 ILE A 2 1.606 1.067 -8.382 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.518 -0.406 -8.790 1.00 25.00 H new ATOM 29 N VAL A 3 1.606 -3.433 -4.487 1.00 25.00 N ATOM 30 CA VAL A 3 1.562 -4.917 -4.528 1.00 25.00 C ATOM 31 C VAL A 3 0.251 -5.478 -3.969 1.00 25.00 C ATOM 32 O VAL A 3 -0.402 -6.257 -4.641 1.00 25.00 O ATOM 33 CB VAL A 3 2.722 -5.489 -3.740 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.708 -7.046 -3.740 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.083 -5.013 -4.311 1.00 25.00 C ATOM 0 H VAL A 3 2.382 -3.043 -3.953 1.00 25.00 H new ATOM 0 HA VAL A 3 1.631 -5.210 -5.576 1.00 25.00 H new ATOM 0 HB VAL A 3 2.604 -5.127 -2.719 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.556 -7.417 -3.164 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.781 -7.402 -3.291 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.778 -7.410 -4.765 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.894 -5.442 -3.723 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.176 -5.337 -5.348 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.137 -3.925 -4.265 1.00 25.00 H new ATOM 45 N GLU A 4 -0.152 -5.046 -2.760 1.00 25.00 N ATOM 46 CA GLU A 4 -1.393 -5.553 -2.219 1.00 25.00 C ATOM 47 C GLU A 4 -2.567 -5.152 -3.075 1.00 25.00 C ATOM 48 O GLU A 4 -3.497 -5.902 -3.267 1.00 25.00 O ATOM 49 CB GLU A 4 -1.624 -5.094 -0.810 1.00 25.00 C ATOM 50 CG GLU A 4 -0.570 -5.616 0.168 1.00 25.00 C ATOM 51 CD GLU A 4 -0.773 -5.062 1.523 1.00 25.00 C ATOM 52 OE1 GLU A 4 -0.473 -3.872 1.734 1.00 25.00 O ATOM 53 OE2 GLU A 4 -1.228 -5.824 2.408 1.00 25.00 O ATOM 0 H GLU A 4 0.348 -4.378 -2.174 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.305 -6.639 -2.216 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.628 -4.004 -0.784 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.610 -5.424 -0.483 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.615 -6.704 0.207 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.425 -5.351 -0.190 1.00 25.00 H new ATOM 60 N GLN A 5 -2.544 -3.915 -3.580 1.00 25.00 N ATOM 61 CA GLN A 5 -3.668 -3.395 -4.364 1.00 25.00 C ATOM 62 C GLN A 5 -3.864 -4.157 -5.683 1.00 25.00 C ATOM 63 O GLN A 5 -4.968 -4.486 -6.039 1.00 25.00 O ATOM 64 CB GLN A 5 -3.477 -1.909 -4.643 1.00 25.00 C ATOM 65 CG GLN A 5 -3.767 -0.996 -3.421 1.00 25.00 C ATOM 66 CD GLN A 5 -3.538 0.469 -3.723 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.497 0.835 -4.256 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.477 1.334 -3.360 1.00 25.00 N ATOM 0 H GLN A 5 -1.769 -3.262 -3.462 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.568 -3.541 -3.767 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.452 -1.741 -4.975 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -4.130 -1.617 -5.465 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.799 -1.140 -3.101 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.130 -1.296 -2.589 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.334 1.001 -2.918 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.342 2.332 -3.523 1.00 25.00 H new ATOM 77 N CYS A 6 -2.793 -4.451 -6.395 1.00 25.00 N ATOM 78 CA CYS A 6 -2.867 -5.151 -7.667 1.00 25.00 C ATOM 79 C CYS A 6 -3.144 -6.653 -7.400 1.00 25.00 C ATOM 80 O CYS A 6 -3.792 -7.311 -8.191 1.00 25.00 O ATOM 81 CB CYS A 6 -1.514 -4.924 -8.369 1.00 25.00 C ATOM 82 SG CYS A 6 -1.546 -5.089 -10.192 1.00 25.00 S ATOM 0 H CYS A 6 -1.844 -4.211 -6.109 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.673 -4.786 -8.303 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.154 -3.926 -8.117 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -0.791 -5.634 -7.968 1.00 25.00 H new ATOM 87 N CYS A 7 -2.705 -7.156 -6.250 1.00 25.00 N ATOM 88 CA CYS A 7 -3.042 -8.517 -5.872 1.00 25.00 C ATOM 89 C CYS A 7 -4.540 -8.619 -5.748 1.00 25.00 C ATOM 90 O CYS A 7 -5.171 -9.439 -6.431 1.00 25.00 O ATOM 91 CB CYS A 7 -2.348 -8.911 -4.563 1.00 25.00 C ATOM 92 SG CYS A 7 -3.149 -10.227 -3.567 1.00 25.00 S ATOM 0 H CYS A 7 -2.127 -6.651 -5.578 1.00 25.00 H new ATOM 0 HA CYS A 7 -2.692 -9.210 -6.637 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -1.334 -9.233 -4.800 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -2.262 -8.019 -3.942 1.00 25.00 H new ATOM 97 N THR A 8 -5.128 -7.823 -4.864 1.00 25.00 N ATOM 98 CA THR A 8 -6.546 -7.989 -4.507 1.00 25.00 C ATOM 99 C THR A 8 -7.473 -7.356 -5.563 1.00 25.00 C ATOM 100 O THR A 8 -8.471 -6.727 -5.214 1.00 25.00 O ATOM 101 CB THR A 8 -6.802 -7.383 -3.097 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.645 -7.474 -2.266 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.893 -8.144 -2.376 1.00 25.00 C ATOM 0 H THR A 8 -4.656 -7.059 -4.380 1.00 25.00 H new ATOM 0 HA THR A 8 -6.776 -9.054 -4.482 1.00 25.00 H new ATOM 0 HB THR A 8 -7.079 -6.342 -3.263 1.00 25.00 H new ATOM 0 HG1 THR A 8 -4.986 -6.806 -2.548 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.055 -7.703 -1.392 1.00 25.00 H new ATOM 0 HG22 THR A 8 -8.816 -8.092 -2.954 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.595 -9.186 -2.262 1.00 25.00 H new ATOM 111 N SER A 9 -7.064 -7.441 -6.832 1.00 25.00 N ATOM 112 CA SER A 9 -7.795 -6.801 -7.949 1.00 25.00 C ATOM 113 C SER A 9 -7.490 -7.390 -9.339 1.00 25.00 C ATOM 114 O SER A 9 -6.417 -7.963 -9.552 1.00 25.00 O ATOM 115 CB SER A 9 -7.392 -5.312 -7.951 1.00 25.00 C ATOM 116 OG SER A 9 -8.194 -4.501 -8.808 1.00 25.00 O ATOM 0 H SER A 9 -6.227 -7.948 -7.121 1.00 25.00 H new ATOM 0 HA SER A 9 -8.859 -6.969 -7.782 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.458 -4.926 -6.934 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.349 -5.228 -8.257 1.00 25.00 H new ATOM 0 HG SER A 9 -7.675 -3.724 -9.103 1.00 25.00 H new ATOM 122 N ILE A 10 -8.389 -7.128 -10.272 1.00 25.00 N ATOM 123 CA ILE A 10 -8.118 -7.251 -11.716 1.00 25.00 C ATOM 124 C ILE A 10 -6.948 -6.282 -12.051 1.00 25.00 C ATOM 125 O ILE A 10 -6.238 -6.477 -13.044 1.00 25.00 O ATOM 126 CB ILE A 10 -9.433 -6.892 -12.592 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.610 -7.814 -12.210 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.180 -6.979 -14.096 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.447 -9.334 -12.517 1.00 25.00 C ATOM 0 H ILE A 10 -9.338 -6.821 -10.060 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.849 -8.278 -11.963 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.686 -5.858 -12.360 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.795 -7.702 -11.142 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.501 -7.458 -12.727 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.094 -6.729 -14.634 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.392 -6.279 -14.374 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.872 -7.992 -14.355 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.343 -9.867 -12.200 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.300 -9.475 -13.588 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.583 -9.723 -11.978 1.00 25.00 H new ATOM 141 N CYS A 11 -6.798 -5.212 -11.235 1.00 25.00 N ATOM 142 CA CYS A 11 -5.730 -4.203 -11.416 1.00 25.00 C ATOM 143 C CYS A 11 -6.029 -3.491 -12.726 1.00 25.00 C ATOM 144 O CYS A 11 -7.105 -3.595 -13.289 1.00 25.00 O ATOM 145 CB CYS A 11 -4.335 -4.902 -11.439 1.00 25.00 C ATOM 146 SG CYS A 11 -2.971 -3.843 -10.874 1.00 25.00 S ATOM 0 H CYS A 11 -7.409 -5.026 -10.440 1.00 25.00 H new ATOM 0 HA CYS A 11 -5.704 -3.484 -10.597 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.375 -5.792 -10.811 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.125 -5.238 -12.454 1.00 25.00 H new ATOM 151 N SER A 12 -5.082 -2.670 -13.196 1.00 25.00 N ATOM 152 CA SER A 12 -5.286 -1.894 -14.469 1.00 25.00 C ATOM 153 C SER A 12 -4.021 -1.829 -15.288 1.00 25.00 C ATOM 154 O SER A 12 -2.936 -1.914 -14.733 1.00 25.00 O ATOM 155 CB SER A 12 -5.772 -0.500 -14.099 1.00 25.00 C ATOM 156 OG SER A 12 -7.050 -0.555 -13.473 1.00 25.00 O ATOM 0 H SER A 12 -4.182 -2.514 -12.742 1.00 25.00 H new ATOM 0 HA SER A 12 -6.029 -2.397 -15.088 1.00 25.00 H new ATOM 0 HB2 SER A 12 -5.055 -0.027 -13.428 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.828 0.119 -14.994 1.00 25.00 H new ATOM 0 HG SER A 12 -7.341 0.352 -13.243 1.00 25.00 H new ATOM 162 N LEU A 13 -4.138 -1.593 -16.621 1.00 25.00 N ATOM 163 CA LEU A 13 -2.917 -1.532 -17.477 1.00 25.00 C ATOM 164 C LEU A 13 -1.956 -0.446 -17.010 1.00 25.00 C ATOM 165 O LEU A 13 -0.776 -0.698 -16.988 1.00 25.00 O ATOM 166 CB LEU A 13 -3.291 -1.281 -18.934 1.00 25.00 C ATOM 167 CG LEU A 13 -2.110 -1.426 -19.934 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.477 -2.828 -19.962 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.619 -1.064 -21.288 1.00 25.00 C ATOM 0 H LEU A 13 -5.020 -1.448 -17.112 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.418 -2.497 -17.390 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.080 -1.977 -19.219 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.705 -0.276 -19.022 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.312 -0.760 -19.607 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.661 -2.845 -20.685 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.090 -3.072 -18.973 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.230 -3.562 -20.248 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.813 -1.155 -22.016 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.433 -1.735 -21.562 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -2.983 -0.037 -21.277 1.00 25.00 H new ATOM 181 N TYR A 14 -2.431 0.746 -16.709 1.00 25.00 N ATOM 182 CA TYR A 14 -1.513 1.822 -16.302 1.00 25.00 C ATOM 183 C TYR A 14 -0.858 1.455 -14.974 1.00 25.00 C ATOM 184 O TYR A 14 0.336 1.689 -14.789 1.00 25.00 O ATOM 185 CB TYR A 14 -2.278 3.132 -16.194 1.00 25.00 C ATOM 186 CG TYR A 14 -3.711 3.009 -15.650 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.948 3.106 -14.272 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.807 2.864 -16.507 1.00 25.00 C ATOM 189 CE1 TYR A 14 -5.291 3.057 -13.735 1.00 25.00 C ATOM 190 CE2 TYR A 14 -6.163 2.824 -15.938 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.363 2.932 -14.578 1.00 25.00 C ATOM 192 OH TYR A 14 -7.594 2.890 -14.043 1.00 25.00 O ATOM 0 H TYR A 14 -3.418 1.003 -16.733 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.729 1.946 -17.049 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.718 3.809 -15.549 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.319 3.593 -17.181 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -3.112 3.220 -13.598 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.659 2.782 -17.574 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -5.448 3.119 -12.668 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -7.013 2.709 -16.594 1.00 25.00 H new ATOM 0 HH TYR A 14 -8.258 2.801 -14.758 1.00 25.00 H new ATOM 202 N GLN A 15 -1.599 0.796 -14.067 1.00 25.00 N ATOM 203 CA GLN A 15 -1.009 0.424 -12.734 1.00 25.00 C ATOM 204 C GLN A 15 0.081 -0.598 -12.958 1.00 25.00 C ATOM 205 O GLN A 15 1.069 -0.578 -12.286 1.00 25.00 O ATOM 206 CB GLN A 15 -2.062 -0.176 -11.811 1.00 25.00 C ATOM 207 CG GLN A 15 -3.276 0.755 -11.432 1.00 25.00 C ATOM 208 CD GLN A 15 -4.228 0.116 -10.413 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.904 -0.861 -10.678 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.267 0.666 -9.214 1.00 25.00 N ATOM 0 H GLN A 15 -2.569 0.512 -14.205 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.613 1.325 -12.265 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.456 -1.076 -12.283 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.570 -0.488 -10.890 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.895 1.692 -11.026 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.833 1.002 -12.336 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.694 1.484 -9.009 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.870 0.273 -8.492 1.00 25.00 H new ATOM 219 N LEU A 16 -0.124 -1.499 -13.899 1.00 25.00 N ATOM 220 CA LEU A 16 0.854 -2.522 -14.222 1.00 25.00 C ATOM 221 C LEU A 16 2.120 -1.912 -14.870 1.00 25.00 C ATOM 222 O LEU A 16 3.250 -2.303 -14.543 1.00 25.00 O ATOM 223 CB LEU A 16 0.177 -3.543 -15.143 1.00 25.00 C ATOM 224 CG LEU A 16 0.857 -4.874 -15.455 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.134 -5.587 -16.370 1.00 25.00 C ATOM 226 CD2 LEU A 16 2.209 -4.761 -16.122 1.00 25.00 C ATOM 0 H LEU A 16 -0.973 -1.543 -14.462 1.00 25.00 H new ATOM 0 HA LEU A 16 1.194 -3.016 -13.312 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.796 -3.773 -14.709 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -0.008 -3.045 -16.095 1.00 25.00 H new ATOM 0 HG LEU A 16 1.079 -5.404 -14.529 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.267 -6.561 -16.652 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.081 -5.722 -15.847 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.297 -4.989 -17.266 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.610 -5.758 -16.302 1.00 25.00 H new ATOM 0 HD22 LEU A 16 2.104 -4.235 -17.071 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.889 -4.208 -15.474 1.00 25.00 H new ATOM 238 N GLU A 17 1.926 -0.935 -15.739 1.00 25.00 N ATOM 239 CA GLU A 17 3.044 -0.245 -16.347 1.00 25.00 C ATOM 240 C GLU A 17 3.824 0.507 -15.289 1.00 25.00 C ATOM 241 O GLU A 17 5.018 0.651 -15.429 1.00 25.00 O ATOM 242 CB GLU A 17 2.566 0.758 -17.421 1.00 25.00 C ATOM 243 CG GLU A 17 2.329 0.055 -18.712 1.00 25.00 C ATOM 244 CD GLU A 17 1.992 0.989 -19.869 1.00 25.00 C ATOM 245 OE1 GLU A 17 1.803 2.181 -19.647 1.00 25.00 O ATOM 246 OE2 GLU A 17 1.797 0.469 -20.990 1.00 25.00 O ATOM 0 H GLU A 17 1.008 -0.605 -16.037 1.00 25.00 H new ATOM 0 HA GLU A 17 3.678 -0.994 -16.821 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.649 1.246 -17.091 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.313 1.540 -17.556 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.218 -0.521 -18.970 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.514 -0.657 -18.583 1.00 25.00 H new ATOM 253 N ASN A 18 3.170 0.942 -14.228 1.00 25.00 N ATOM 254 CA ASN A 18 3.853 1.654 -13.166 1.00 25.00 C ATOM 255 C ASN A 18 4.927 0.807 -12.445 1.00 25.00 C ATOM 256 O ASN A 18 5.768 1.356 -11.755 1.00 25.00 O ATOM 257 CB ASN A 18 2.818 2.197 -12.190 1.00 25.00 C ATOM 258 CG ASN A 18 2.814 3.708 -12.182 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.848 4.346 -11.890 1.00 25.00 O ATOM 260 ND2 ASN A 18 1.657 4.299 -12.429 1.00 25.00 N ATOM 0 H ASN A 18 2.169 0.815 -14.080 1.00 25.00 H new ATOM 0 HA ASN A 18 4.404 2.478 -13.619 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.829 1.830 -12.463 1.00 25.00 H new ATOM 0 HB3 ASN A 18 3.030 1.826 -11.187 1.00 25.00 H new ATOM 0 HD21 ASN A 18 1.584 5.315 -12.385 1.00 25.00 H new ATOM 0 HD22 ASN A 18 0.838 3.738 -12.664 1.00 25.00 H new ATOM 267 N TYR A 19 4.870 -0.527 -12.603 1.00 25.00 N ATOM 268 CA TYR A 19 5.897 -1.379 -12.034 1.00 25.00 C ATOM 269 C TYR A 19 7.164 -1.333 -12.888 1.00 25.00 C ATOM 270 O TYR A 19 8.259 -1.559 -12.365 1.00 25.00 O ATOM 271 CB TYR A 19 5.468 -2.866 -11.974 1.00 25.00 C ATOM 272 CG TYR A 19 4.489 -3.176 -10.864 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.101 -2.978 -11.074 1.00 25.00 C ATOM 274 CD2 TYR A 19 4.920 -3.716 -9.654 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.169 -3.326 -10.075 1.00 25.00 C ATOM 276 CE2 TYR A 19 3.973 -4.065 -8.642 1.00 25.00 C ATOM 277 CZ TYR A 19 2.589 -3.827 -8.878 1.00 25.00 C ATOM 278 OH TYR A 19 1.638 -4.083 -7.946 1.00 25.00 O ATOM 0 H TYR A 19 4.135 -1.019 -13.111 1.00 25.00 H new ATOM 0 HA TYR A 19 6.069 -1.000 -11.026 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.020 -3.144 -12.928 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.356 -3.485 -11.846 1.00 25.00 H new ATOM 0 HD1 TYR A 19 2.755 -2.557 -12.007 1.00 25.00 H new ATOM 0 HD2 TYR A 19 5.974 -3.872 -9.480 1.00 25.00 H new ATOM 0 HE1 TYR A 19 1.113 -3.195 -10.259 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.302 -4.503 -7.711 1.00 25.00 H new ATOM 0 HH TYR A 19 1.546 -5.052 -7.830 1.00 25.00 H new ATOM 288 N CYS A 20 7.023 -1.126 -14.174 1.00 25.00 N ATOM 289 CA CYS A 20 8.129 -1.224 -15.111 1.00 25.00 C ATOM 290 C CYS A 20 8.964 0.064 -15.118 1.00 25.00 C ATOM 291 O CYS A 20 8.424 1.173 -14.980 1.00 25.00 O ATOM 292 CB CYS A 20 7.595 -1.572 -16.527 1.00 25.00 C ATOM 293 SG CYS A 20 6.579 -3.126 -16.514 1.00 25.00 S ATOM 0 H CYS A 20 6.133 -0.883 -14.609 1.00 25.00 H new ATOM 0 HA CYS A 20 8.791 -2.029 -14.791 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.991 -0.745 -16.902 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.433 -1.691 -17.213 1.00 25.00 H new ATOM 298 N ASN A 21 10.269 -0.088 -15.254 1.00 25.00 N ATOM 299 CA ASN A 21 11.212 1.042 -15.222 1.00 25.00 C ATOM 300 C ASN A 21 11.192 1.743 -16.579 1.00 25.00 C ATOM 301 O ASN A 21 12.015 2.653 -16.716 1.00 25.00 O ATOM 302 CB ASN A 21 12.635 0.537 -14.889 1.00 25.00 C ATOM 303 CG ASN A 21 12.750 0.111 -13.490 1.00 25.00 C ATOM 304 OD1 ASN A 21 12.060 0.585 -12.631 1.00 25.00 O ATOM 305 ND2 ASN A 21 13.638 -0.766 -13.235 1.00 25.00 N ATOM 306 OXT ASN A 21 10.500 1.274 -17.487 1.00 25.00 O ATOM 0 H ASN A 21 10.716 -0.994 -15.390 1.00 25.00 H new ATOM 0 HA ASN A 21 10.915 1.750 -14.448 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.887 -0.297 -15.544 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.357 1.329 -15.088 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.779 -1.085 -12.277 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.208 -1.149 -13.989 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -1.836 -8.911 -22.810 1.00 25.00 N ATOM 315 CA PHE B 1 -2.075 -8.843 -21.364 1.00 25.00 C ATOM 316 C PHE B 1 -3.260 -9.713 -20.929 1.00 25.00 C ATOM 317 O PHE B 1 -3.033 -10.711 -20.294 1.00 25.00 O ATOM 318 CB PHE B 1 -2.272 -7.370 -20.945 1.00 25.00 C ATOM 319 CG PHE B 1 -2.677 -7.211 -19.522 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.033 -7.970 -18.549 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.662 -6.325 -19.129 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.438 -7.905 -17.200 1.00 25.00 C ATOM 323 CE2 PHE B 1 -4.026 -6.164 -17.761 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.428 -7.004 -16.816 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.026 -8.307 -23.057 1.00 25.00 H new ATOM 0 H2 PHE B 1 -1.631 -9.894 -23.082 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.681 -8.580 -23.318 1.00 25.00 H new ATOM 0 HA PHE B 1 -1.200 -9.246 -20.854 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.344 -6.824 -21.114 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.030 -6.916 -21.584 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.214 -8.616 -18.830 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.170 -5.738 -19.880 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.981 -8.553 -16.466 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.744 -5.414 -17.462 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.736 -6.954 -15.782 1.00 25.00 H new ATOM 336 N VAL B 2 -4.505 -9.305 -21.248 1.00 25.00 N ATOM 337 CA VAL B 2 -5.751 -9.988 -20.832 1.00 25.00 C ATOM 338 C VAL B 2 -5.902 -9.751 -19.342 1.00 25.00 C ATOM 339 O VAL B 2 -5.375 -10.485 -18.533 1.00 25.00 O ATOM 340 CB VAL B 2 -5.837 -11.520 -21.215 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.229 -12.146 -20.820 1.00 25.00 C ATOM 342 CG2 VAL B 2 -5.641 -11.696 -22.759 1.00 25.00 C ATOM 0 H VAL B 2 -4.678 -8.474 -21.814 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.585 -9.562 -21.389 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.050 -12.034 -20.663 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.247 -13.199 -21.100 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.377 -12.054 -19.744 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.027 -11.618 -21.342 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -5.701 -12.754 -23.015 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.420 -11.149 -23.289 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.664 -11.308 -23.048 1.00 25.00 H new ATOM 352 N ASN B 3 -6.667 -8.720 -18.997 1.00 25.00 N ATOM 353 CA ASN B 3 -6.893 -8.359 -17.618 1.00 25.00 C ATOM 354 C ASN B 3 -7.439 -9.586 -16.827 1.00 25.00 C ATOM 355 O ASN B 3 -8.249 -10.339 -17.392 1.00 25.00 O ATOM 356 CB ASN B 3 -7.860 -7.179 -17.608 1.00 25.00 C ATOM 357 CG ASN B 3 -9.287 -7.596 -17.975 1.00 25.00 C ATOM 358 OD1 ASN B 3 -10.067 -7.951 -17.098 1.00 25.00 O ATOM 359 ND2 ASN B 3 -9.655 -7.447 -19.253 1.00 25.00 N ATOM 0 H ASN B 3 -7.143 -8.118 -19.670 1.00 25.00 H new ATOM 0 HA ASN B 3 -5.967 -8.064 -17.124 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.860 -6.721 -16.619 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.513 -6.421 -18.310 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.619 -7.631 -19.531 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -8.971 -7.149 -19.949 1.00 25.00 H new ATOM 366 N GLN B 4 -6.921 -9.820 -15.608 1.00 25.00 N ATOM 367 CA GLN B 4 -7.346 -10.937 -14.753 1.00 25.00 C ATOM 368 C GLN B 4 -6.769 -10.576 -13.386 1.00 25.00 C ATOM 369 O GLN B 4 -5.933 -9.669 -13.341 1.00 25.00 O ATOM 370 CB GLN B 4 -6.812 -12.295 -15.253 1.00 25.00 C ATOM 371 CG GLN B 4 -5.234 -12.360 -15.341 1.00 25.00 C ATOM 372 CD GLN B 4 -4.740 -13.558 -16.024 1.00 25.00 C ATOM 373 OE1 GLN B 4 -5.297 -14.620 -15.918 1.00 25.00 O ATOM 374 NE2 GLN B 4 -3.617 -13.398 -16.700 1.00 25.00 N ATOM 0 H GLN B 4 -6.195 -9.238 -15.190 1.00 25.00 H new ATOM 0 HA GLN B 4 -8.429 -11.061 -14.741 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.163 -13.082 -14.586 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -7.231 -12.501 -16.238 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -4.870 -11.476 -15.864 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -4.819 -12.328 -14.333 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -3.185 -12.476 -16.760 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -3.182 -14.196 -17.163 1.00 25.00 H new ATOM 383 N HIS B 5 -7.139 -11.290 -12.319 1.00 25.00 N ATOM 384 CA HIS B 5 -6.584 -10.992 -10.987 1.00 25.00 C ATOM 385 C HIS B 5 -5.107 -11.369 -11.018 1.00 25.00 C ATOM 386 O HIS B 5 -4.758 -12.433 -11.511 1.00 25.00 O ATOM 387 CB HIS B 5 -7.277 -11.781 -9.876 1.00 25.00 C ATOM 388 CG HIS B 5 -8.262 -10.962 -9.096 1.00 25.00 C ATOM 389 ND1 HIS B 5 -9.493 -10.568 -9.547 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.159 -10.431 -7.855 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.094 -9.879 -8.596 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.323 -9.756 -7.535 1.00 25.00 N ATOM 0 H HIS B 5 -7.805 -12.062 -12.344 1.00 25.00 H new ATOM 0 HA HIS B 5 -6.736 -9.935 -10.771 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -7.791 -12.637 -10.313 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -6.523 -12.176 -9.195 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.297 -10.521 -7.211 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.090 -9.469 -8.677 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -9.538 -9.268 -6.665 1.00 25.00 H new ATOM 400 N LEU B 6 -4.263 -10.529 -10.393 1.00 25.00 N ATOM 401 CA LEU B 6 -2.831 -10.721 -10.518 1.00 25.00 C ATOM 402 C LEU B 6 -2.129 -11.081 -9.217 1.00 25.00 C ATOM 403 O LEU B 6 -0.946 -10.847 -9.079 1.00 25.00 O ATOM 404 CB LEU B 6 -2.213 -9.460 -11.109 1.00 25.00 C ATOM 405 CG LEU B 6 -2.736 -8.964 -12.462 1.00 25.00 C ATOM 406 CD1 LEU B 6 -1.910 -7.774 -12.840 1.00 25.00 C ATOM 407 CD2 LEU B 6 -2.636 -10.014 -13.592 1.00 25.00 C ATOM 0 H LEU B 6 -4.548 -9.738 -9.816 1.00 25.00 H new ATOM 0 HA LEU B 6 -2.688 -11.579 -11.175 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.343 -8.655 -10.386 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.141 -9.629 -11.208 1.00 25.00 H new ATOM 0 HG LEU B 6 -3.796 -8.734 -12.350 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.249 -7.386 -13.801 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.016 -7.001 -12.079 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.863 -8.067 -12.916 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.025 -9.590 -14.518 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -1.593 -10.299 -13.733 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.219 -10.895 -13.323 1.00 25.00 H new ATOM 419 N CYS B 7 -2.816 -11.693 -8.299 1.00 25.00 N ATOM 420 CA CYS B 7 -2.172 -11.990 -7.003 1.00 25.00 C ATOM 421 C CYS B 7 -1.151 -13.188 -7.108 1.00 25.00 C ATOM 422 O CYS B 7 -0.112 -13.189 -6.455 1.00 25.00 O ATOM 423 CB CYS B 7 -3.159 -12.193 -5.891 1.00 25.00 C ATOM 424 SG CYS B 7 -2.362 -11.969 -4.270 1.00 25.00 S ATOM 0 H CYS B 7 -3.785 -11.996 -8.391 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.599 -11.100 -6.743 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.983 -11.487 -5.997 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.586 -13.194 -5.956 1.00 25.00 H new ATOM 429 N GLY B 8 -1.521 -14.213 -7.883 1.00 25.00 N ATOM 430 CA GLY B 8 -0.708 -15.401 -8.025 1.00 25.00 C ATOM 431 C GLY B 8 0.408 -15.235 -9.051 1.00 25.00 C ATOM 432 O GLY B 8 0.893 -14.139 -9.295 1.00 25.00 O ATOM 0 H GLY B 8 -2.387 -14.232 -8.421 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -0.272 -15.655 -7.059 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -1.343 -16.237 -8.318 1.00 25.00 H new ATOM 436 N SER B 9 0.780 -16.344 -9.714 1.00 25.00 N ATOM 437 CA SER B 9 1.842 -16.293 -10.709 1.00 25.00 C ATOM 438 C SER B 9 1.397 -15.426 -11.924 1.00 25.00 C ATOM 439 O SER B 9 2.197 -15.136 -12.789 1.00 25.00 O ATOM 440 CB SER B 9 2.187 -17.725 -11.151 1.00 25.00 C ATOM 441 OG SER B 9 3.339 -17.731 -11.962 1.00 25.00 O ATOM 0 H SER B 9 0.365 -17.265 -9.576 1.00 25.00 H new ATOM 0 HA SER B 9 2.731 -15.833 -10.277 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.350 -18.352 -10.275 1.00 25.00 H new ATOM 0 HB3 SER B 9 1.348 -18.154 -11.699 1.00 25.00 H new ATOM 0 HG SER B 9 3.399 -16.884 -12.451 1.00 25.00 H new ATOM 447 N HIS B 10 0.152 -15.018 -11.929 1.00 25.00 N ATOM 448 CA HIS B 10 -0.429 -14.148 -12.982 1.00 25.00 C ATOM 449 C HIS B 10 0.268 -12.787 -13.031 1.00 25.00 C ATOM 450 O HIS B 10 0.354 -12.183 -14.077 1.00 25.00 O ATOM 451 CB HIS B 10 -1.927 -13.926 -12.759 1.00 25.00 C ATOM 452 CG HIS B 10 -2.787 -15.150 -12.907 1.00 25.00 C ATOM 453 ND1 HIS B 10 -4.114 -15.175 -12.526 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.552 -16.385 -13.406 1.00 25.00 C ATOM 455 CE1 HIS B 10 -4.611 -16.388 -12.797 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.699 -17.141 -13.379 1.00 25.00 N ATOM 0 H HIS B 10 -0.516 -15.272 -11.201 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.277 -14.665 -13.930 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.072 -13.519 -11.758 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.274 -13.171 -13.464 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -4.629 -14.400 -12.108 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -1.597 -16.729 -13.774 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.618 -16.705 -12.571 1.00 25.00 H new ATOM 464 N LEU B 11 0.831 -12.330 -11.923 1.00 25.00 N ATOM 465 CA LEU B 11 1.664 -11.108 -11.936 1.00 25.00 C ATOM 466 C LEU B 11 2.875 -11.315 -12.865 1.00 25.00 C ATOM 467 O LEU B 11 3.249 -10.431 -13.636 1.00 25.00 O ATOM 468 CB LEU B 11 2.102 -10.721 -10.494 1.00 25.00 C ATOM 469 CG LEU B 11 2.755 -9.327 -10.288 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.854 -8.173 -10.739 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.112 -9.136 -8.817 1.00 25.00 C ATOM 0 H LEU B 11 0.736 -12.771 -11.008 1.00 25.00 H new ATOM 0 HA LEU B 11 1.075 -10.277 -12.324 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.225 -10.779 -9.850 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.805 -11.476 -10.143 1.00 25.00 H new ATOM 0 HG LEU B 11 3.651 -9.305 -10.909 1.00 25.00 H new ATOM 0 HD11 LEU B 11 2.365 -7.225 -10.570 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.629 -8.280 -11.800 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.926 -8.192 -10.168 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.570 -8.157 -8.678 1.00 25.00 H new ATOM 0 HD22 LEU B 11 2.208 -9.203 -8.212 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.814 -9.911 -8.509 1.00 25.00 H new ATOM 483 N VAL B 12 3.523 -12.483 -12.781 1.00 25.00 N ATOM 484 CA VAL B 12 4.701 -12.694 -13.592 1.00 25.00 C ATOM 485 C VAL B 12 4.283 -12.626 -15.081 1.00 25.00 C ATOM 486 O VAL B 12 4.908 -11.920 -15.876 1.00 25.00 O ATOM 487 CB VAL B 12 5.412 -14.067 -13.242 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.668 -14.257 -14.053 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.758 -14.055 -11.725 1.00 25.00 C ATOM 0 H VAL B 12 3.256 -13.263 -12.180 1.00 25.00 H new ATOM 0 HA VAL B 12 5.434 -11.915 -13.384 1.00 25.00 H new ATOM 0 HB VAL B 12 4.741 -14.893 -13.481 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.131 -15.208 -13.789 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.419 -14.257 -15.114 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.363 -13.444 -13.843 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.249 -14.990 -11.456 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.425 -13.220 -11.511 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.842 -13.946 -11.144 1.00 25.00 H new ATOM 499 N GLU B 13 3.206 -13.328 -15.428 1.00 25.00 N ATOM 500 CA GLU B 13 2.686 -13.331 -16.768 1.00 25.00 C ATOM 501 C GLU B 13 2.242 -11.959 -17.282 1.00 25.00 C ATOM 502 O GLU B 13 2.534 -11.552 -18.406 1.00 25.00 O ATOM 503 CB GLU B 13 1.488 -14.249 -16.797 1.00 25.00 C ATOM 504 CG GLU B 13 1.789 -15.683 -16.339 1.00 25.00 C ATOM 505 CD GLU B 13 1.757 -16.661 -17.454 1.00 25.00 C ATOM 506 OE1 GLU B 13 2.774 -16.758 -18.178 1.00 25.00 O ATOM 507 OE2 GLU B 13 0.671 -17.283 -17.647 1.00 25.00 O ATOM 0 H GLU B 13 2.678 -13.908 -14.776 1.00 25.00 H new ATOM 0 HA GLU B 13 3.498 -13.657 -17.418 1.00 25.00 H new ATOM 0 HB2 GLU B 13 0.708 -13.832 -16.161 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.090 -14.278 -17.811 1.00 25.00 H new ATOM 0 HG2 GLU B 13 2.771 -15.710 -15.866 1.00 25.00 H new ATOM 0 HG3 GLU B 13 1.062 -15.978 -15.582 1.00 25.00 H new ATOM 514 N ALA B 14 1.624 -11.157 -16.409 1.00 25.00 N ATOM 515 CA ALA B 14 1.210 -9.828 -16.791 1.00 25.00 C ATOM 516 C ALA B 14 2.446 -8.989 -17.193 1.00 25.00 C ATOM 517 O ALA B 14 2.445 -8.342 -18.257 1.00 25.00 O ATOM 518 CB ALA B 14 0.459 -9.221 -15.652 1.00 25.00 C ATOM 0 H ALA B 14 1.407 -11.413 -15.446 1.00 25.00 H new ATOM 0 HA ALA B 14 0.551 -9.860 -17.659 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.138 -8.215 -15.923 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.415 -9.832 -15.425 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.105 -9.172 -14.775 1.00 25.00 H new ATOM 524 N LEU B 15 3.472 -9.007 -16.368 1.00 25.00 N ATOM 525 CA LEU B 15 4.660 -8.190 -16.593 1.00 25.00 C ATOM 526 C LEU B 15 5.425 -8.713 -17.817 1.00 25.00 C ATOM 527 O LEU B 15 6.057 -7.940 -18.551 1.00 25.00 O ATOM 528 CB LEU B 15 5.601 -8.234 -15.330 1.00 25.00 C ATOM 529 CG LEU B 15 5.022 -7.488 -14.097 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.654 -8.005 -12.834 1.00 25.00 C ATOM 531 CD2 LEU B 15 5.302 -5.966 -14.181 1.00 25.00 C ATOM 0 H LEU B 15 3.513 -9.582 -15.526 1.00 25.00 H new ATOM 0 HA LEU B 15 4.348 -7.161 -16.769 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.786 -9.274 -15.061 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.565 -7.796 -15.590 1.00 25.00 H new ATOM 0 HG LEU B 15 3.946 -7.663 -14.088 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.240 -7.474 -11.976 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.449 -9.071 -12.735 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.731 -7.845 -12.874 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.885 -5.470 -13.304 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.378 -5.795 -14.217 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.840 -5.560 -15.081 1.00 25.00 H new ATOM 543 N TYR B 16 5.361 -10.013 -18.042 1.00 25.00 N ATOM 544 CA TYR B 16 5.992 -10.637 -19.186 1.00 25.00 C ATOM 545 C TYR B 16 5.352 -10.161 -20.459 1.00 25.00 C ATOM 546 O TYR B 16 6.030 -9.785 -21.411 1.00 25.00 O ATOM 547 CB TYR B 16 5.893 -12.173 -19.084 1.00 25.00 C ATOM 548 CG TYR B 16 6.576 -12.854 -20.249 1.00 25.00 C ATOM 549 CD1 TYR B 16 7.966 -12.910 -20.311 1.00 25.00 C ATOM 550 CD2 TYR B 16 5.828 -13.483 -21.283 1.00 25.00 C ATOM 551 CE1 TYR B 16 8.645 -13.523 -21.424 1.00 25.00 C ATOM 552 CE2 TYR B 16 6.503 -14.150 -22.351 1.00 25.00 C ATOM 553 CZ TYR B 16 7.893 -14.185 -22.421 1.00 25.00 C ATOM 554 OH TYR B 16 8.530 -14.795 -23.450 1.00 25.00 O ATOM 0 H TYR B 16 4.868 -10.666 -17.433 1.00 25.00 H new ATOM 0 HA TYR B 16 7.045 -10.355 -19.196 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.346 -12.506 -18.150 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.844 -12.469 -19.053 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.548 -12.484 -19.507 1.00 25.00 H new ATOM 0 HD2 TYR B 16 4.749 -13.456 -21.261 1.00 25.00 H new ATOM 0 HE1 TYR B 16 9.722 -13.477 -21.496 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.923 -14.637 -23.120 1.00 25.00 H new ATOM 0 HH TYR B 16 7.869 -15.204 -24.047 1.00 25.00 H new ATOM 564 N LEU B 17 4.021 -10.151 -20.473 1.00 25.00 N ATOM 565 CA LEU B 17 3.320 -9.750 -21.664 1.00 25.00 C ATOM 566 C LEU B 17 3.357 -8.242 -21.961 1.00 25.00 C ATOM 567 O LEU B 17 3.436 -7.858 -23.125 1.00 25.00 O ATOM 568 CB LEU B 17 1.858 -10.205 -21.611 1.00 25.00 C ATOM 569 CG LEU B 17 1.620 -11.730 -21.641 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.276 -12.097 -21.033 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.743 -12.266 -23.048 1.00 25.00 C ATOM 0 H LEU B 17 3.428 -10.412 -19.686 1.00 25.00 H new ATOM 0 HA LEU B 17 3.857 -10.241 -22.475 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.407 -9.805 -20.703 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.329 -9.759 -22.453 1.00 25.00 H new ATOM 0 HG LEU B 17 2.393 -12.197 -21.031 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.142 -13.178 -21.071 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.243 -11.764 -19.996 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.522 -11.613 -21.596 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.571 -13.342 -23.044 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.004 -11.783 -23.687 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.743 -12.060 -23.430 1.00 25.00 H new ATOM 583 N VAL B 18 3.238 -7.386 -20.926 1.00 25.00 N ATOM 584 CA VAL B 18 3.153 -5.927 -21.170 1.00 25.00 C ATOM 585 C VAL B 18 4.520 -5.269 -21.336 1.00 25.00 C ATOM 586 O VAL B 18 4.701 -4.403 -22.165 1.00 25.00 O ATOM 587 CB VAL B 18 2.415 -5.219 -19.968 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.397 -3.693 -20.067 1.00 25.00 C ATOM 589 CG2 VAL B 18 1.017 -5.757 -19.864 1.00 25.00 C ATOM 0 H VAL B 18 3.199 -7.663 -19.945 1.00 25.00 H new ATOM 0 HA VAL B 18 2.600 -5.807 -22.102 1.00 25.00 H new ATOM 0 HB VAL B 18 2.982 -5.447 -19.065 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.873 -3.279 -19.206 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.420 -3.317 -20.084 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.885 -3.394 -20.982 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.501 -5.272 -19.035 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.481 -5.558 -20.792 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.053 -6.832 -19.689 1.00 25.00 H new ATOM 599 N CYS B 19 5.497 -5.696 -20.541 1.00 25.00 N ATOM 600 CA CYS B 19 6.808 -5.072 -20.528 1.00 25.00 C ATOM 601 C CYS B 19 7.903 -6.020 -21.075 1.00 25.00 C ATOM 602 O CYS B 19 9.108 -5.658 -21.036 1.00 25.00 O ATOM 603 CB CYS B 19 7.179 -4.647 -19.110 1.00 25.00 C ATOM 604 SG CYS B 19 6.038 -3.420 -18.462 1.00 25.00 S ATOM 0 H CYS B 19 5.400 -6.478 -19.894 1.00 25.00 H new ATOM 0 HA CYS B 19 6.754 -4.198 -21.177 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.183 -5.520 -18.458 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.191 -4.241 -19.105 1.00 25.00 H new ATOM 609 N GLY B 20 7.502 -7.115 -21.739 1.00 25.00 N ATOM 610 CA GLY B 20 8.434 -7.913 -22.472 1.00 25.00 C ATOM 611 C GLY B 20 9.564 -8.534 -21.644 1.00 25.00 C ATOM 612 O GLY B 20 10.686 -8.672 -22.127 1.00 25.00 O ATOM 0 H GLY B 20 6.538 -7.448 -21.770 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.888 -8.715 -22.968 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.877 -7.297 -23.255 1.00 25.00 H new ATOM 616 N GLU B 21 9.309 -8.735 -20.347 1.00 25.00 N ATOM 617 CA GLU B 21 10.268 -9.278 -19.376 1.00 25.00 C ATOM 618 C GLU B 21 11.372 -8.254 -19.039 1.00 25.00 C ATOM 619 O GLU B 21 12.269 -8.515 -18.287 1.00 25.00 O ATOM 620 CB GLU B 21 10.884 -10.633 -19.837 1.00 25.00 C ATOM 621 CG GLU B 21 11.141 -11.573 -18.712 1.00 25.00 C ATOM 622 CD GLU B 21 11.749 -12.917 -19.205 1.00 25.00 C ATOM 623 OE1 GLU B 21 12.682 -12.891 -20.026 1.00 25.00 O ATOM 624 OE2 GLU B 21 11.239 -13.997 -18.755 1.00 25.00 O ATOM 0 H GLU B 21 8.403 -8.518 -19.930 1.00 25.00 H new ATOM 0 HA GLU B 21 9.704 -9.480 -18.466 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.210 -11.107 -20.551 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.820 -10.440 -20.361 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.821 -11.107 -17.998 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.208 -11.769 -18.183 1.00 25.00 H new ATOM 631 N ARG B 22 11.299 -7.078 -19.633 1.00 25.00 N ATOM 632 CA ARG B 22 12.311 -6.039 -19.373 1.00 25.00 C ATOM 633 C ARG B 22 11.865 -5.135 -18.264 1.00 25.00 C ATOM 634 O ARG B 22 12.582 -4.219 -17.903 1.00 25.00 O ATOM 635 CB ARG B 22 12.544 -5.225 -20.606 1.00 25.00 C ATOM 636 CG ARG B 22 13.086 -6.065 -21.697 1.00 25.00 C ATOM 637 CD ARG B 22 13.201 -5.238 -22.952 1.00 25.00 C ATOM 638 NE ARG B 22 13.604 -6.112 -24.070 1.00 25.00 N ATOM 639 CZ ARG B 22 13.807 -5.709 -25.331 1.00 25.00 C ATOM 640 NH1 ARG B 22 13.682 -4.459 -25.711 1.00 25.00 N ATOM 641 NH2 ARG B 22 14.164 -6.601 -26.203 1.00 25.00 N ATOM 0 H ARG B 22 10.567 -6.809 -20.290 1.00 25.00 H new ATOM 0 HA ARG B 22 13.238 -6.534 -19.081 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.609 -4.765 -20.926 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.239 -4.414 -20.386 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.063 -6.459 -21.417 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.434 -6.921 -21.870 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.248 -4.758 -23.175 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.934 -4.443 -22.813 1.00 25.00 H new ATOM 0 HE ARG B 22 13.739 -7.102 -23.866 1.00 25.00 H new ATOM 0 HH11 ARG B 22 13.419 -3.744 -25.033 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.848 -4.203 -26.684 1.00 25.00 H new ATOM 0 HH21 ARG B 22 14.281 -7.574 -25.919 1.00 25.00 H new ATOM 0 HH22 ARG B 22 14.327 -6.330 -27.173 1.00 25.00 H new ATOM 655 N GLY B 23 10.685 -5.398 -17.738 1.00 25.00 N ATOM 656 CA GLY B 23 10.142 -4.614 -16.670 1.00 25.00 C ATOM 657 C GLY B 23 10.277 -5.297 -15.330 1.00 25.00 C ATOM 658 O GLY B 23 9.897 -4.761 -14.357 1.00 25.00 O ATOM 0 H GLY B 23 10.084 -6.162 -18.045 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.649 -3.650 -16.636 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.089 -4.414 -16.869 1.00 25.00 H new ATOM 662 N PHE B 24 10.841 -6.512 -15.280 1.00 25.00 N ATOM 663 CA PHE B 24 11.075 -7.203 -14.007 1.00 25.00 C ATOM 664 C PHE B 24 12.108 -8.335 -14.179 1.00 25.00 C ATOM 665 O PHE B 24 12.370 -8.823 -15.273 1.00 25.00 O ATOM 666 CB PHE B 24 9.771 -7.819 -13.476 1.00 25.00 C ATOM 667 CG PHE B 24 9.375 -9.073 -14.189 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.884 -9.018 -15.492 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.493 -10.344 -13.550 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.493 -10.198 -16.171 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.154 -11.511 -14.242 1.00 25.00 C ATOM 672 CZ PHE B 24 8.678 -11.450 -15.542 1.00 25.00 C ATOM 0 H PHE B 24 11.142 -7.034 -16.103 1.00 25.00 H new ATOM 0 HA PHE B 24 11.452 -6.463 -13.301 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.885 -8.034 -12.414 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.968 -7.088 -13.569 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.801 -8.064 -15.990 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.845 -10.404 -12.531 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.058 -10.142 -17.158 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.264 -12.470 -13.758 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.448 -12.361 -16.075 1.00 25.00 H new ATOM 682 N PHE B 25 12.606 -8.836 -13.045 1.00 25.00 N ATOM 683 CA PHE B 25 13.588 -9.909 -13.028 1.00 25.00 C ATOM 684 C PHE B 25 13.337 -10.865 -11.835 1.00 25.00 C ATOM 685 O PHE B 25 13.605 -10.531 -10.670 1.00 25.00 O ATOM 686 CB PHE B 25 14.982 -9.289 -12.934 1.00 25.00 C ATOM 687 CG PHE B 25 16.111 -10.294 -12.992 1.00 25.00 C ATOM 688 CD1 PHE B 25 16.288 -11.080 -14.134 1.00 25.00 C ATOM 689 CD2 PHE B 25 16.956 -10.450 -11.911 1.00 25.00 C ATOM 690 CE1 PHE B 25 17.351 -12.062 -14.176 1.00 25.00 C ATOM 691 CE2 PHE B 25 17.988 -11.420 -11.933 1.00 25.00 C ATOM 692 CZ PHE B 25 18.193 -12.215 -13.053 1.00 25.00 C ATOM 0 H PHE B 25 12.337 -8.506 -12.118 1.00 25.00 H new ATOM 0 HA PHE B 25 13.504 -10.496 -13.943 1.00 25.00 H new ATOM 0 HB2 PHE B 25 15.105 -8.573 -13.747 1.00 25.00 H new ATOM 0 HB3 PHE B 25 15.056 -8.729 -12.002 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.633 -10.955 -14.984 1.00 25.00 H new ATOM 0 HD2 PHE B 25 16.829 -9.826 -11.039 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.498 -12.670 -15.056 1.00 25.00 H new ATOM 0 HE2 PHE B 25 18.623 -11.543 -11.068 1.00 25.00 H new ATOM 0 HZ PHE B 25 18.990 -12.944 -13.065 1.00 25.00 H new HETATM 702 N NVA B 26 12.707 -12.053 -12.098 1.00 25.00 N HETATM 703 CA NVA B 26 12.445 -13.134 -11.084 1.00 25.00 C HETATM 704 CB NVA B 26 10.977 -13.723 -11.111 1.00 25.00 C HETATM 705 CG NVA B 26 10.718 -14.846 -12.251 1.00 25.00 C HETATM 706 CD NVA B 26 9.496 -15.766 -11.863 1.00 25.00 C HETATM 707 C NVA B 26 13.510 -14.281 -11.045 1.00 25.00 C HETATM 708 O NVA B 26 13.403 -15.199 -10.277 1.00 25.00 O HETATM 0 HG3 NVA B 26 10.525 -14.361 -13.208 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.613 -15.456 -12.377 1.00 25.00 H new HETATM 0 HD2 NVA B 26 8.599 -15.155 -11.761 1.00 25.00 H new HETATM 0 HB3 NVA B 26 10.756 -14.157 -10.136 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.274 -12.904 -11.261 1.00 25.00 H new HETATM 0 HA NVA B 26 12.549 -12.589 -10.146 1.00 25.00 H new HETATM 0 H NVA B 26 11.964 -11.757 -12.732 1.00 25.00 H new ATOM 717 N THR B 27 14.555 -14.142 -11.892 1.00 25.00 N ATOM 718 CA THR B 27 15.628 -15.129 -12.237 1.00 25.00 C ATOM 719 C THR B 27 14.969 -16.239 -13.089 1.00 25.00 C ATOM 720 O THR B 27 13.781 -16.381 -13.084 1.00 25.00 O ATOM 721 CB THR B 27 16.410 -15.731 -10.987 1.00 25.00 C ATOM 722 OG1 THR B 27 15.630 -16.677 -10.269 1.00 25.00 O ATOM 723 CG2 THR B 27 16.850 -14.630 -10.041 1.00 25.00 C ATOM 0 H THR B 27 14.690 -13.267 -12.399 1.00 25.00 H new ATOM 0 HA THR B 27 16.407 -14.607 -12.792 1.00 25.00 H new ATOM 0 HB THR B 27 17.285 -16.242 -11.389 1.00 25.00 H new ATOM 0 HG1 THR B 27 14.814 -16.245 -9.939 1.00 25.00 H new ATOM 0 HG21 THR B 27 17.382 -15.067 -9.196 1.00 25.00 H new ATOM 0 HG22 THR B 27 17.510 -13.940 -10.567 1.00 25.00 H new ATOM 0 HG23 THR B 27 15.975 -14.090 -9.679 1.00 25.00 H new ATOM 731 N PRO B 28 15.766 -17.001 -13.887 1.00 25.00 N ATOM 732 CA PRO B 28 15.088 -17.966 -14.781 1.00 25.00 C ATOM 733 C PRO B 28 14.450 -19.136 -14.068 1.00 25.00 C ATOM 734 O PRO B 28 14.997 -19.701 -13.112 1.00 25.00 O ATOM 735 CB PRO B 28 16.213 -18.395 -15.735 1.00 25.00 C ATOM 736 CG PRO B 28 17.435 -18.259 -14.927 1.00 25.00 C ATOM 737 CD PRO B 28 17.225 -16.987 -14.148 1.00 25.00 C ATOM 0 HA PRO B 28 14.232 -17.519 -15.287 1.00 25.00 H new ATOM 0 HB2 PRO B 28 16.075 -19.420 -16.080 1.00 25.00 H new ATOM 0 HB3 PRO B 28 16.248 -17.762 -16.622 1.00 25.00 H new ATOM 0 HG2 PRO B 28 17.571 -19.114 -14.264 1.00 25.00 H new ATOM 0 HG3 PRO B 28 18.323 -18.199 -15.556 1.00 25.00 H new ATOM 0 HD2 PRO B 28 17.802 -16.979 -13.223 1.00 25.00 H new ATOM 0 HD3 PRO B 28 17.526 -16.108 -14.719 1.00 25.00 H new HETATM 745 N HIX B 29 13.257 -19.505 -14.567 1.00 25.00 N HETATM 746 CA HIX B 29 12.358 -20.558 -13.946 1.00 25.00 C HETATM 747 C HIX B 29 12.667 -21.904 -14.602 1.00 25.00 C HETATM 748 O HIX B 29 12.491 -22.024 -15.793 1.00 25.00 O HETATM 749 CB HIX B 29 10.807 -20.207 -14.031 1.00 25.00 C HETATM 750 CG HIX B 29 10.328 -19.120 -13.042 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.068 -17.847 -13.289 1.00 25.00 C HETATM 752 ND1 HIX B 29 10.054 -19.322 -11.726 1.00 25.00 N HETATM 753 NE1 HIX B 29 9.494 -18.130 -11.079 1.00 25.00 N HETATM 754 NE2 HIX B 29 9.686 -17.213 -12.180 1.00 25.00 N ATOM 762 N THR B 30 13.266 -22.809 -13.776 1.00 25.00 N ATOM 763 CA THR B 30 13.761 -24.114 -14.183 1.00 25.00 C ATOM 764 C THR B 30 12.913 -25.241 -13.570 1.00 25.00 C ATOM 765 O THR B 30 13.063 -26.403 -14.024 1.00 25.00 O ATOM 766 CB THR B 30 15.242 -24.275 -13.708 1.00 25.00 C ATOM 767 OG1 THR B 30 15.327 -23.941 -12.311 1.00 25.00 O ATOM 768 CG2 THR B 30 16.187 -23.314 -14.487 1.00 25.00 C ATOM 769 OXT THR B 30 12.075 -24.934 -12.691 1.00 25.00 O ATOM 0 H THR B 30 13.412 -22.624 -12.784 1.00 25.00 H new ATOM 0 HA THR B 30 13.700 -24.182 -15.269 1.00 25.00 H new ATOM 0 HB THR B 30 15.546 -25.306 -13.888 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.253 -24.042 -12.006 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.211 -23.447 -14.137 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.136 -23.538 -15.552 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.877 -22.283 -14.318 1.00 25.00 H new TER 777 THR B 30