USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 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 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD NoAdj-H: B 23 DAL H : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 155:sc= -0.0191 (180deg=-0.366) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.505 USER MOD Single : A 9 SER OG : rot 180:sc= 0.237 USER MOD Single : A 12 SER OG : rot -91:sc= 0.0513 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.035) USER MOD Single : A 18 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.72) USER MOD Single : A 19 TYR OH : rot 30:sc= -2! USER MOD Single : A 21 ASN : amide:sc= -7.38! C(o=-7.4!,f=-14!) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.309 (180deg=0.1) USER MOD Single : B 3 ASN : amide:sc= -1.38! C(o=-1.4!,f=-2.6!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : B 5 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-7.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0267 USER MOD Single : B 10 HIS :FLIP no HE2:sc= 0.191 F(o=-2.1!,f=0.19) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 36:sc= 0.345 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.337 0.717 1.117 1.00 0.00 N ATOM 2 CA GLY A 1 -8.101 1.964 1.568 1.00 0.00 C ATOM 3 C GLY A 1 -7.340 3.159 2.029 1.00 0.00 C ATOM 4 O GLY A 1 -7.903 4.114 2.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.941 -0.122 1.235 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.072 0.815 0.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.478 0.609 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.733 2.279 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.765 1.666 2.379 1.00 0.00 H new ATOM 10 N ILE A 2 -6.044 3.139 1.875 1.00 0.00 N ATOM 11 CA ILE A 2 -5.222 4.300 2.315 1.00 0.00 C ATOM 12 C ILE A 2 -4.781 5.102 1.092 1.00 0.00 C ATOM 13 O ILE A 2 -3.829 5.856 1.139 1.00 0.00 O ATOM 14 CB ILE A 2 -3.996 3.785 3.071 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.404 4.915 3.917 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.941 3.282 2.081 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.933 4.810 5.350 1.00 0.00 C ATOM 0 H ILE A 2 -5.519 2.368 1.463 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.808 4.944 2.971 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.298 2.962 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.316 4.854 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.670 5.882 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.072 2.918 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.359 2.472 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.640 4.098 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.512 5.614 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.020 4.892 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.644 3.849 5.775 1.00 0.00 H new ATOM 29 N VAL A 3 -5.464 4.937 -0.003 1.00 0.00 N ATOM 30 CA VAL A 3 -5.098 5.677 -1.238 1.00 0.00 C ATOM 31 C VAL A 3 -4.732 7.124 -0.892 1.00 0.00 C ATOM 32 O VAL A 3 -3.961 7.760 -1.582 1.00 0.00 O ATOM 33 CB VAL A 3 -6.288 5.668 -2.192 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.885 6.324 -3.508 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.720 4.224 -2.456 1.00 0.00 C ATOM 0 H VAL A 3 -6.267 4.315 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.240 5.197 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.116 6.219 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.734 6.319 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.575 7.352 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.058 5.770 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.570 4.218 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.893 3.673 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.005 3.752 -1.516 1.00 0.00 H new ATOM 45 N GLU A 4 -5.278 7.650 0.171 1.00 0.00 N ATOM 46 CA GLU A 4 -4.958 9.056 0.556 1.00 0.00 C ATOM 47 C GLU A 4 -3.473 9.162 0.908 1.00 0.00 C ATOM 48 O GLU A 4 -2.882 10.221 0.839 1.00 0.00 O ATOM 49 CB GLU A 4 -5.799 9.457 1.771 1.00 0.00 C ATOM 50 CG GLU A 4 -5.351 10.832 2.273 1.00 0.00 C ATOM 51 CD GLU A 4 -6.249 11.272 3.432 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.185 10.553 3.737 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.984 12.321 3.995 1.00 0.00 O ATOM 0 H GLU A 4 -5.931 7.168 0.789 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.183 9.721 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.855 9.483 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.689 8.716 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.312 10.790 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.401 11.560 1.464 1.00 0.00 H new ATOM 60 N GLN A 5 -2.868 8.071 1.290 1.00 0.00 N ATOM 61 CA GLN A 5 -1.423 8.107 1.653 1.00 0.00 C ATOM 62 C GLN A 5 -0.594 7.476 0.532 1.00 0.00 C ATOM 63 O GLN A 5 0.604 7.666 0.454 1.00 0.00 O ATOM 64 CB GLN A 5 -1.209 7.325 2.950 1.00 0.00 C ATOM 65 CG GLN A 5 0.246 7.467 3.404 1.00 0.00 C ATOM 66 CD GLN A 5 0.306 7.460 4.931 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.217 6.566 5.567 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.926 8.425 5.552 1.00 0.00 N ATOM 0 H GLN A 5 -3.312 7.156 1.366 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.109 9.141 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.880 7.696 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.451 6.273 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.845 6.650 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.670 8.393 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.365 9.175 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.972 8.429 6.571 1.00 0.00 H new ATOM 77 N CYS A 6 -1.215 6.724 -0.337 1.00 0.00 N ATOM 78 CA CYS A 6 -0.451 6.083 -1.445 1.00 0.00 C ATOM 79 C CYS A 6 -0.563 6.938 -2.708 1.00 0.00 C ATOM 80 O CYS A 6 0.115 6.702 -3.689 1.00 0.00 O ATOM 81 CB CYS A 6 -1.021 4.690 -1.722 1.00 0.00 C ATOM 82 SG CYS A 6 -0.883 3.654 -0.239 1.00 0.00 S ATOM 0 H CYS A 6 -2.216 6.527 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 6 0.597 5.997 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.065 4.769 -2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.484 4.227 -2.550 1.00 0.00 H new ATOM 87 N CYS A 7 -1.412 7.926 -2.693 1.00 0.00 N ATOM 88 CA CYS A 7 -1.566 8.793 -3.895 1.00 0.00 C ATOM 89 C CYS A 7 -1.406 10.260 -3.489 1.00 0.00 C ATOM 90 O CYS A 7 -0.552 10.964 -3.986 1.00 0.00 O ATOM 91 CB CYS A 7 -2.951 8.582 -4.494 1.00 0.00 C ATOM 92 SG CYS A 7 -2.843 8.696 -6.295 1.00 0.00 S ATOM 0 H CYS A 7 -2.006 8.171 -1.901 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.805 8.535 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.342 7.607 -4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.644 9.331 -4.111 1.00 0.00 H new ATOM 97 N THR A 8 -2.222 10.725 -2.583 1.00 0.00 N ATOM 98 CA THR A 8 -2.113 12.142 -2.143 1.00 0.00 C ATOM 99 C THR A 8 -0.811 12.326 -1.362 1.00 0.00 C ATOM 100 O THR A 8 -0.357 13.431 -1.141 1.00 0.00 O ATOM 101 CB THR A 8 -3.303 12.489 -1.245 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.337 11.536 -1.443 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.819 13.887 -1.595 1.00 0.00 C ATOM 0 H THR A 8 -2.959 10.184 -2.130 1.00 0.00 H new ATOM 0 HA THR A 8 -2.114 12.799 -3.013 1.00 0.00 H new ATOM 0 HB THR A 8 -2.988 12.472 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.153 11.840 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.666 14.133 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.024 14.617 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.134 13.908 -2.638 1.00 0.00 H new ATOM 111 N SER A 9 -0.206 11.247 -0.944 1.00 0.00 N ATOM 112 CA SER A 9 1.067 11.351 -0.178 1.00 0.00 C ATOM 113 C SER A 9 2.007 10.219 -0.601 1.00 0.00 C ATOM 114 O SER A 9 1.834 9.613 -1.640 1.00 0.00 O ATOM 115 CB SER A 9 0.772 11.239 1.318 1.00 0.00 C ATOM 116 OG SER A 9 1.886 11.725 2.053 1.00 0.00 O ATOM 0 H SER A 9 -0.540 10.296 -1.101 1.00 0.00 H new ATOM 0 HA SER A 9 1.539 12.312 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.121 11.811 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.571 10.201 1.584 1.00 0.00 H new ATOM 0 HG SER A 9 1.700 11.656 3.013 1.00 0.00 H new ATOM 122 N ILE A 10 3.001 9.931 0.192 1.00 0.00 N ATOM 123 CA ILE A 10 3.951 8.844 -0.165 1.00 0.00 C ATOM 124 C ILE A 10 3.664 7.609 0.692 1.00 0.00 C ATOM 125 O ILE A 10 3.716 7.659 1.905 1.00 0.00 O ATOM 126 CB ILE A 10 5.378 9.322 0.094 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.685 10.519 -0.809 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.357 8.189 -0.208 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.542 11.814 -0.005 1.00 0.00 C ATOM 0 H ILE A 10 3.196 10.404 1.075 1.00 0.00 H new ATOM 0 HA ILE A 10 3.834 8.587 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 10 5.479 9.619 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.695 10.437 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.005 10.530 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.376 8.530 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.137 7.337 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.258 7.891 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.761 12.667 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.523 11.896 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.240 11.802 0.832 1.00 0.00 H new ATOM 141 N CYS A 11 3.362 6.499 0.073 1.00 0.00 N ATOM 142 CA CYS A 11 3.075 5.265 0.858 1.00 0.00 C ATOM 143 C CYS A 11 4.356 4.446 1.009 1.00 0.00 C ATOM 144 O CYS A 11 4.981 4.070 0.037 1.00 0.00 O ATOM 145 CB CYS A 11 2.020 4.428 0.132 1.00 0.00 C ATOM 146 SG CYS A 11 0.424 4.620 0.963 1.00 0.00 S ATOM 0 H CYS A 11 3.302 6.394 -0.940 1.00 0.00 H new ATOM 0 HA CYS A 11 2.702 5.544 1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.941 4.745 -0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.315 3.379 0.124 1.00 0.00 H new ATOM 151 N SER A 12 4.753 4.166 2.220 1.00 0.00 N ATOM 152 CA SER A 12 5.992 3.368 2.432 1.00 0.00 C ATOM 153 C SER A 12 5.663 1.880 2.309 1.00 0.00 C ATOM 154 O SER A 12 4.804 1.365 2.998 1.00 0.00 O ATOM 155 CB SER A 12 6.551 3.656 3.827 1.00 0.00 C ATOM 156 OG SER A 12 5.473 3.896 4.723 1.00 0.00 O ATOM 0 H SER A 12 4.272 4.456 3.072 1.00 0.00 H new ATOM 0 HA SER A 12 6.735 3.639 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.147 2.812 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.213 4.522 3.795 1.00 0.00 H new ATOM 0 HG SER A 12 5.271 4.855 4.743 1.00 0.00 H new ATOM 162 N LEU A 13 6.336 1.185 1.435 1.00 0.00 N ATOM 163 CA LEU A 13 6.058 -0.270 1.265 1.00 0.00 C ATOM 164 C LEU A 13 5.951 -0.935 2.638 1.00 0.00 C ATOM 165 O LEU A 13 5.303 -1.950 2.797 1.00 0.00 O ATOM 166 CB LEU A 13 7.194 -0.917 0.473 1.00 0.00 C ATOM 167 CG LEU A 13 8.486 -0.852 1.289 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.997 -2.270 1.549 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.541 -0.066 0.508 1.00 0.00 C ATOM 0 H LEU A 13 7.067 1.561 0.831 1.00 0.00 H new ATOM 0 HA LEU A 13 5.119 -0.399 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.948 -1.954 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.326 -0.403 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 13 8.291 -0.356 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.918 -2.224 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.245 -2.832 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.193 -2.766 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.463 -0.019 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.735 -0.563 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.177 0.944 0.321 1.00 0.00 H new ATOM 181 N TYR A 14 6.585 -0.376 3.630 1.00 0.00 N ATOM 182 CA TYR A 14 6.524 -0.980 4.990 1.00 0.00 C ATOM 183 C TYR A 14 5.095 -0.890 5.536 1.00 0.00 C ATOM 184 O TYR A 14 4.558 -1.849 6.053 1.00 0.00 O ATOM 185 CB TYR A 14 7.472 -0.224 5.924 1.00 0.00 C ATOM 186 CG TYR A 14 8.147 -1.202 6.857 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.708 -2.380 6.348 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.212 -0.929 8.229 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.333 -3.288 7.213 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.838 -1.836 9.094 1.00 0.00 C ATOM 191 CZ TYR A 14 9.399 -3.016 8.587 1.00 0.00 C ATOM 192 OH TYR A 14 10.016 -3.908 9.439 1.00 0.00 O ATOM 0 H TYR A 14 7.144 0.474 3.558 1.00 0.00 H new ATOM 0 HA TYR A 14 6.821 -2.027 4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.220 0.315 5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.918 0.519 6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.659 -2.588 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.780 -0.020 8.620 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.764 -4.198 6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.888 -1.626 10.152 1.00 0.00 H new ATOM 0 HH TYR A 14 9.974 -3.566 10.357 1.00 0.00 H new ATOM 202 N GLN A 15 4.478 0.254 5.428 1.00 0.00 N ATOM 203 CA GLN A 15 3.090 0.404 5.948 1.00 0.00 C ATOM 204 C GLN A 15 2.114 -0.373 5.063 1.00 0.00 C ATOM 205 O GLN A 15 1.299 -1.138 5.542 1.00 0.00 O ATOM 206 CB GLN A 15 2.704 1.885 5.948 1.00 0.00 C ATOM 207 CG GLN A 15 3.378 2.586 7.129 1.00 0.00 C ATOM 208 CD GLN A 15 2.574 2.324 8.404 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.556 2.947 8.634 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.989 1.421 9.248 1.00 0.00 N ATOM 0 H GLN A 15 4.875 1.092 5.002 1.00 0.00 H new ATOM 0 HA GLN A 15 3.045 0.011 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.009 2.352 5.011 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.621 1.990 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.398 2.221 7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.443 3.658 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.843 0.898 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.459 1.238 10.100 1.00 0.00 H new ATOM 219 N LEU A 16 2.186 -0.184 3.774 1.00 0.00 N ATOM 220 CA LEU A 16 1.258 -0.910 2.864 1.00 0.00 C ATOM 221 C LEU A 16 1.623 -2.395 2.830 1.00 0.00 C ATOM 222 O LEU A 16 0.942 -3.198 2.224 1.00 0.00 O ATOM 223 CB LEU A 16 1.359 -0.321 1.459 1.00 0.00 C ATOM 224 CG LEU A 16 2.807 -0.379 1.004 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.032 -1.664 0.215 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.119 0.829 0.118 1.00 0.00 C ATOM 0 H LEU A 16 2.847 0.441 3.313 1.00 0.00 H new ATOM 0 HA LEU A 16 0.236 -0.803 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.725 -0.879 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.004 0.710 1.456 1.00 0.00 H new ATOM 0 HG LEU A 16 3.464 -0.362 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.070 -1.712 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.813 -2.523 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.374 -1.677 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.159 0.784 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.466 0.819 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.955 1.747 0.683 1.00 0.00 H new ATOM 238 N GLU A 17 2.690 -2.773 3.479 1.00 0.00 N ATOM 239 CA GLU A 17 3.089 -4.206 3.480 1.00 0.00 C ATOM 240 C GLU A 17 2.066 -5.023 4.274 1.00 0.00 C ATOM 241 O GLU A 17 1.950 -6.222 4.105 1.00 0.00 O ATOM 242 CB GLU A 17 4.468 -4.348 4.128 1.00 0.00 C ATOM 243 CG GLU A 17 4.765 -5.826 4.373 1.00 0.00 C ATOM 244 CD GLU A 17 4.711 -6.118 5.873 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.967 -5.209 6.644 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.413 -7.249 6.226 1.00 0.00 O ATOM 0 H GLU A 17 3.301 -2.151 4.008 1.00 0.00 H new ATOM 0 HA GLU A 17 3.127 -4.573 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.232 -3.915 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.498 -3.799 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.040 -6.445 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.749 -6.080 3.978 1.00 0.00 H new ATOM 253 N ASN A 18 1.324 -4.389 5.139 1.00 0.00 N ATOM 254 CA ASN A 18 0.313 -5.133 5.941 1.00 0.00 C ATOM 255 C ASN A 18 -0.999 -5.231 5.157 1.00 0.00 C ATOM 256 O ASN A 18 -1.991 -5.727 5.651 1.00 0.00 O ATOM 257 CB ASN A 18 0.064 -4.396 7.260 1.00 0.00 C ATOM 258 CG ASN A 18 -0.663 -5.325 8.234 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.875 -5.308 8.317 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.029 -6.142 8.981 1.00 0.00 N ATOM 0 H ASN A 18 1.374 -3.387 5.325 1.00 0.00 H new ATOM 0 HA ASN A 18 0.686 -6.136 6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.010 -4.069 7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.531 -3.501 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.448 -6.765 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.047 -6.158 8.913 1.00 0.00 H new ATOM 267 N TYR A 19 -1.012 -4.761 3.940 1.00 0.00 N ATOM 268 CA TYR A 19 -2.261 -4.830 3.130 1.00 0.00 C ATOM 269 C TYR A 19 -2.374 -6.211 2.481 1.00 0.00 C ATOM 270 O TYR A 19 -3.314 -6.497 1.767 1.00 0.00 O ATOM 271 CB TYR A 19 -2.222 -3.749 2.049 1.00 0.00 C ATOM 272 CG TYR A 19 -2.497 -2.405 2.682 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.703 -1.959 3.747 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.547 -1.608 2.209 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.961 -0.716 4.340 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.805 -0.364 2.801 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.011 0.082 3.867 1.00 0.00 C ATOM 278 OH TYR A 19 -3.265 1.306 4.451 1.00 0.00 O ATOM 0 H TYR A 19 -0.213 -4.333 3.472 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.126 -4.666 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.248 -3.742 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.964 -3.961 1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.892 -2.573 4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.158 -1.952 1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.350 -0.373 5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.615 0.251 2.436 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.430 1.682 4.799 1.00 0.00 H new ATOM 288 N CYS A 20 -1.422 -7.070 2.724 1.00 0.00 N ATOM 289 CA CYS A 20 -1.473 -8.430 2.126 1.00 0.00 C ATOM 290 C CYS A 20 -2.627 -9.212 2.760 1.00 0.00 C ATOM 291 O CYS A 20 -3.373 -8.690 3.562 1.00 0.00 O ATOM 292 CB CYS A 20 -0.152 -9.147 2.408 1.00 0.00 C ATOM 293 SG CYS A 20 0.382 -10.031 0.926 1.00 0.00 S ATOM 0 H CYS A 20 -0.610 -6.886 3.313 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.629 -8.360 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.608 -8.426 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.274 -9.845 3.236 1.00 0.00 H new ATOM 298 N ASN A 21 -2.780 -10.460 2.410 1.00 0.00 N ATOM 299 CA ASN A 21 -3.887 -11.266 3.001 1.00 0.00 C ATOM 300 C ASN A 21 -3.625 -12.754 2.754 1.00 0.00 C ATOM 301 O ASN A 21 -2.578 -13.227 3.164 1.00 0.00 O ATOM 302 CB ASN A 21 -5.214 -10.865 2.352 1.00 0.00 C ATOM 303 CG ASN A 21 -5.222 -11.298 0.886 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.252 -11.843 0.398 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.284 -11.083 0.161 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.478 -13.396 2.164 1.00 0.00 O ATOM 0 H ASN A 21 -2.189 -10.955 1.743 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.938 -11.081 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.045 -11.330 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.354 -9.786 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.301 -11.372 -0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.098 -10.625 0.572 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.897 1.522 -4.165 1.00 0.00 N ATOM 315 CA PHE B 1 12.631 1.937 -3.498 1.00 0.00 C ATOM 316 C PHE B 1 12.743 3.395 -3.048 1.00 0.00 C ATOM 317 O PHE B 1 13.510 3.723 -2.165 1.00 0.00 O ATOM 318 CB PHE B 1 12.380 1.048 -2.280 1.00 0.00 C ATOM 319 CG PHE B 1 12.241 -0.387 -2.727 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.452 -0.699 -3.842 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.900 -1.405 -2.027 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.323 -2.030 -4.258 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.772 -2.737 -2.443 1.00 0.00 C ATOM 324 CZ PHE B 1 11.983 -3.050 -3.558 1.00 0.00 C ATOM 0 H1 PHE B 1 14.040 0.500 -4.033 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.840 1.735 -5.181 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.696 2.040 -3.747 1.00 0.00 H new ATOM 0 HA PHE B 1 11.803 1.836 -4.200 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.203 1.142 -1.572 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.476 1.368 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.943 0.087 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.507 -1.164 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.715 -2.271 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.281 -3.522 -1.904 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.883 -4.077 -3.878 1.00 0.00 H new ATOM 336 N VAL B 2 11.984 4.270 -3.645 1.00 0.00 N ATOM 337 CA VAL B 2 12.047 5.704 -3.248 1.00 0.00 C ATOM 338 C VAL B 2 10.628 6.243 -3.063 1.00 0.00 C ATOM 339 O VAL B 2 9.702 5.827 -3.731 1.00 0.00 O ATOM 340 CB VAL B 2 12.764 6.505 -4.334 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.276 6.427 -4.112 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.423 5.923 -5.705 1.00 0.00 C ATOM 0 H VAL B 2 11.322 4.054 -4.391 1.00 0.00 H new ATOM 0 HA VAL B 2 12.595 5.798 -2.311 1.00 0.00 H new ATOM 0 HB VAL B 2 12.442 7.545 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.787 6.998 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.522 6.841 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.597 5.386 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.934 6.494 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.745 4.883 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.346 5.977 -5.865 1.00 0.00 H new ATOM 352 N ASN B 3 10.449 7.166 -2.158 1.00 0.00 N ATOM 353 CA ASN B 3 9.091 7.732 -1.925 1.00 0.00 C ATOM 354 C ASN B 3 8.474 8.154 -3.256 1.00 0.00 C ATOM 355 O ASN B 3 9.047 8.923 -4.003 1.00 0.00 O ATOM 356 CB ASN B 3 9.201 8.948 -1.004 1.00 0.00 C ATOM 357 CG ASN B 3 9.669 8.497 0.380 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.215 7.494 0.892 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.564 9.204 1.013 1.00 0.00 N ATOM 0 H ASN B 3 11.186 7.553 -1.569 1.00 0.00 H new ATOM 0 HA ASN B 3 8.458 6.977 -1.459 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.903 9.670 -1.420 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.236 9.449 -0.928 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.882 8.914 1.938 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.946 10.047 0.583 1.00 0.00 H new ATOM 366 N GLN B 4 7.306 7.658 -3.559 1.00 0.00 N ATOM 367 CA GLN B 4 6.650 8.031 -4.842 1.00 0.00 C ATOM 368 C GLN B 4 5.146 7.775 -4.743 1.00 0.00 C ATOM 369 O GLN B 4 4.707 6.651 -4.598 1.00 0.00 O ATOM 370 CB GLN B 4 7.235 7.185 -5.974 1.00 0.00 C ATOM 371 CG GLN B 4 7.417 8.057 -7.215 1.00 0.00 C ATOM 372 CD GLN B 4 7.006 7.268 -8.461 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.478 6.170 -8.680 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.142 7.784 -9.290 1.00 0.00 N ATOM 0 H GLN B 4 6.778 7.011 -2.973 1.00 0.00 H new ATOM 0 HA GLN B 4 6.825 9.088 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.192 6.762 -5.670 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.573 6.348 -6.197 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.814 8.961 -7.129 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.456 8.375 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.746 8.706 -9.106 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.862 7.266 -10.123 1.00 0.00 H new ATOM 383 N HIS B 5 4.350 8.805 -4.829 1.00 0.00 N ATOM 384 CA HIS B 5 2.875 8.613 -4.748 1.00 0.00 C ATOM 385 C HIS B 5 2.430 7.728 -5.913 1.00 0.00 C ATOM 386 O HIS B 5 3.074 7.681 -6.942 1.00 0.00 O ATOM 387 CB HIS B 5 2.169 9.969 -4.839 1.00 0.00 C ATOM 388 CG HIS B 5 2.983 11.014 -4.127 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.243 11.367 -4.564 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.708 11.769 -3.020 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.690 12.312 -3.724 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.785 12.591 -2.762 1.00 0.00 N ATOM 0 H HIS B 5 4.657 9.770 -4.952 1.00 0.00 H new ATOM 0 HA HIS B 5 2.617 8.141 -3.800 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.033 10.250 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.176 9.903 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.796 11.728 -2.442 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.655 12.791 -3.807 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.878 13.267 -2.004 1.00 0.00 H new ATOM 400 N LEU B 6 1.344 7.020 -5.769 1.00 0.00 N ATOM 401 CA LEU B 6 0.891 6.143 -6.885 1.00 0.00 C ATOM 402 C LEU B 6 -0.613 5.878 -6.784 1.00 0.00 C ATOM 403 O LEU B 6 -1.194 5.900 -5.716 1.00 0.00 O ATOM 404 CB LEU B 6 1.646 4.815 -6.820 1.00 0.00 C ATOM 405 CG LEU B 6 3.041 4.992 -7.421 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.740 3.636 -7.492 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.922 5.575 -8.830 1.00 0.00 C ATOM 0 H LEU B 6 0.756 7.010 -4.936 1.00 0.00 H new ATOM 0 HA LEU B 6 1.095 6.643 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.724 4.479 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.098 4.046 -7.365 1.00 0.00 H new ATOM 0 HG LEU B 6 3.621 5.670 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.734 3.761 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.827 3.218 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.158 2.959 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.917 5.701 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.341 4.898 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.423 6.543 -8.782 1.00 0.00 H new ATOM 419 N CYS B 7 -1.239 5.615 -7.900 1.00 0.00 N ATOM 420 CA CYS B 7 -2.703 5.332 -7.908 1.00 0.00 C ATOM 421 C CYS B 7 -2.996 4.180 -8.871 1.00 0.00 C ATOM 422 O CYS B 7 -2.103 3.502 -9.335 1.00 0.00 O ATOM 423 CB CYS B 7 -3.468 6.575 -8.363 1.00 0.00 C ATOM 424 SG CYS B 7 -4.230 7.382 -6.934 1.00 0.00 S ATOM 0 H CYS B 7 -0.793 5.584 -8.817 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.020 5.059 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.791 7.267 -8.865 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.234 6.297 -9.087 1.00 0.00 H new ATOM 429 N GLY B 8 -4.247 3.960 -9.171 1.00 0.00 N ATOM 430 CA GLY B 8 -4.613 2.858 -10.106 1.00 0.00 C ATOM 431 C GLY B 8 -3.772 1.617 -9.808 1.00 0.00 C ATOM 432 O GLY B 8 -3.243 1.454 -8.724 1.00 0.00 O ATOM 0 H GLY B 8 -5.034 4.498 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.672 2.622 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.454 3.176 -11.136 1.00 0.00 H new ATOM 436 N SER B 9 -3.647 0.736 -10.763 1.00 0.00 N ATOM 437 CA SER B 9 -2.843 -0.497 -10.540 1.00 0.00 C ATOM 438 C SER B 9 -1.418 -0.118 -10.128 1.00 0.00 C ATOM 439 O SER B 9 -0.717 -0.885 -9.502 1.00 0.00 O ATOM 440 CB SER B 9 -2.796 -1.316 -11.828 1.00 0.00 C ATOM 441 OG SER B 9 -2.706 -0.436 -12.942 1.00 0.00 O ATOM 0 H SER B 9 -4.068 0.818 -11.689 1.00 0.00 H new ATOM 0 HA SER B 9 -3.304 -1.087 -9.748 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.940 -1.990 -11.813 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.689 -1.936 -11.911 1.00 0.00 H new ATOM 0 HG SER B 9 -2.674 -0.959 -13.770 1.00 0.00 H new ATOM 447 N HIS B 10 -0.984 1.060 -10.476 1.00 0.00 N ATOM 448 CA HIS B 10 0.402 1.482 -10.107 1.00 0.00 C ATOM 449 C HIS B 10 0.555 1.467 -8.589 1.00 0.00 C ATOM 450 O HIS B 10 1.438 0.826 -8.052 1.00 0.00 O ATOM 451 CB HIS B 10 0.680 2.900 -10.621 1.00 0.00 C ATOM 452 CG HIS B 10 -0.069 3.145 -11.902 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.315 3.659 -12.128 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.486 2.851 -13.130 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.543 3.688 -13.489 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.425 3.190 -14.053 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.524 1.750 -10.998 1.00 0.00 H new ATOM 0 HA HIS B 10 1.110 0.788 -10.560 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.381 3.632 -9.871 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.749 3.032 -10.786 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -1.969 3.970 -11.409 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.464 2.430 -13.312 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.431 4.037 -13.996 1.00 0.00 H new ATOM 464 N LEU B 11 -0.287 2.173 -7.890 1.00 0.00 N ATOM 465 CA LEU B 11 -0.173 2.199 -6.409 1.00 0.00 C ATOM 466 C LEU B 11 -0.218 0.766 -5.864 1.00 0.00 C ATOM 467 O LEU B 11 0.467 0.434 -4.916 1.00 0.00 O ATOM 468 CB LEU B 11 -1.301 3.053 -5.822 1.00 0.00 C ATOM 469 CG LEU B 11 -2.497 2.186 -5.449 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.322 1.675 -4.022 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.755 3.030 -5.530 1.00 0.00 C ATOM 0 H LEU B 11 -1.047 2.731 -8.280 1.00 0.00 H new ATOM 0 HA LEU B 11 0.778 2.644 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.941 3.583 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.606 3.809 -6.546 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.572 1.339 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.176 1.054 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.408 1.084 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.257 2.521 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.619 2.421 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.676 3.868 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.875 3.408 -6.545 1.00 0.00 H new ATOM 483 N VAL B 12 -1.004 -0.091 -6.460 1.00 0.00 N ATOM 484 CA VAL B 12 -1.054 -1.496 -5.961 1.00 0.00 C ATOM 485 C VAL B 12 0.127 -2.261 -6.536 1.00 0.00 C ATOM 486 O VAL B 12 0.676 -3.131 -5.897 1.00 0.00 O ATOM 487 CB VAL B 12 -2.360 -2.198 -6.350 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.293 -2.218 -5.149 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.054 -1.462 -7.489 1.00 0.00 C ATOM 0 H VAL B 12 -1.605 0.116 -7.258 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.007 -1.474 -4.872 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.123 -3.212 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.224 -2.716 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.819 -2.756 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.506 -1.196 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.978 -1.979 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.283 -0.443 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.398 -1.436 -8.359 1.00 0.00 H new ATOM 499 N GLU B 13 0.548 -1.929 -7.724 1.00 0.00 N ATOM 500 CA GLU B 13 1.723 -2.636 -8.298 1.00 0.00 C ATOM 501 C GLU B 13 2.805 -2.627 -7.227 1.00 0.00 C ATOM 502 O GLU B 13 3.617 -3.527 -7.125 1.00 0.00 O ATOM 503 CB GLU B 13 2.217 -1.909 -9.549 1.00 0.00 C ATOM 504 CG GLU B 13 1.231 -2.143 -10.696 1.00 0.00 C ATOM 505 CD GLU B 13 1.824 -3.151 -11.681 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.031 -3.134 -11.862 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.063 -3.925 -12.237 1.00 0.00 O ATOM 0 H GLU B 13 0.135 -1.208 -8.315 1.00 0.00 H new ATOM 0 HA GLU B 13 1.464 -3.655 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.312 -0.842 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.207 -2.271 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.284 -2.515 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.019 -1.203 -11.205 1.00 0.00 H new ATOM 514 N ALA B 14 2.779 -1.622 -6.394 1.00 0.00 N ATOM 515 CA ALA B 14 3.753 -1.545 -5.280 1.00 0.00 C ATOM 516 C ALA B 14 3.306 -2.555 -4.227 1.00 0.00 C ATOM 517 O ALA B 14 4.081 -3.364 -3.755 1.00 0.00 O ATOM 518 CB ALA B 14 3.749 -0.131 -4.696 1.00 0.00 C ATOM 0 H ALA B 14 2.117 -0.847 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 14 4.764 -1.768 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.465 -0.074 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.026 0.584 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.752 0.106 -4.324 1.00 0.00 H new ATOM 524 N LEU B 15 2.040 -2.541 -3.888 1.00 0.00 N ATOM 525 CA LEU B 15 1.528 -3.533 -2.903 1.00 0.00 C ATOM 526 C LEU B 15 1.750 -4.922 -3.492 1.00 0.00 C ATOM 527 O LEU B 15 2.313 -5.803 -2.872 1.00 0.00 O ATOM 528 CB LEU B 15 0.031 -3.319 -2.691 1.00 0.00 C ATOM 529 CG LEU B 15 -0.181 -2.357 -1.528 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.646 -1.933 -1.486 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.180 -3.058 -0.218 1.00 0.00 C ATOM 0 H LEU B 15 1.345 -1.888 -4.251 1.00 0.00 H new ATOM 0 HA LEU B 15 2.043 -3.423 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.422 -2.918 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.458 -4.271 -2.484 1.00 0.00 H new ATOM 0 HG LEU B 15 0.452 -1.479 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.802 -1.245 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.909 -1.438 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.276 -2.813 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.029 -2.372 0.615 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.456 -3.934 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.224 -3.369 -0.248 1.00 0.00 H new ATOM 543 N TYR B 16 1.319 -5.100 -4.708 1.00 0.00 N ATOM 544 CA TYR B 16 1.492 -6.398 -5.403 1.00 0.00 C ATOM 545 C TYR B 16 2.904 -6.923 -5.138 1.00 0.00 C ATOM 546 O TYR B 16 3.096 -8.066 -4.775 1.00 0.00 O ATOM 547 CB TYR B 16 1.296 -6.161 -6.903 1.00 0.00 C ATOM 548 CG TYR B 16 0.368 -7.200 -7.471 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.342 -8.488 -6.925 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.471 -6.875 -8.544 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.524 -9.455 -7.453 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.338 -7.840 -9.074 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.364 -9.131 -8.527 1.00 0.00 C ATOM 554 OH TYR B 16 -2.215 -10.084 -9.048 1.00 0.00 O ATOM 0 H TYR B 16 0.845 -4.384 -5.258 1.00 0.00 H new ATOM 0 HA TYR B 16 0.769 -7.130 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.887 -5.165 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.258 -6.202 -7.415 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.989 -8.737 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.450 -5.880 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.544 -10.450 -7.032 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.985 -7.590 -9.902 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.728 -9.695 -9.787 1.00 0.00 H new ATOM 564 N LEU B 17 3.894 -6.092 -5.316 1.00 0.00 N ATOM 565 CA LEU B 17 5.291 -6.528 -5.078 1.00 0.00 C ATOM 566 C LEU B 17 5.511 -6.747 -3.581 1.00 0.00 C ATOM 567 O LEU B 17 6.047 -7.757 -3.167 1.00 0.00 O ATOM 568 CB LEU B 17 6.231 -5.439 -5.575 1.00 0.00 C ATOM 569 CG LEU B 17 7.418 -6.075 -6.285 1.00 0.00 C ATOM 570 CD1 LEU B 17 8.261 -6.858 -5.278 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.918 -7.020 -7.380 1.00 0.00 C ATOM 0 H LEU B 17 3.790 -5.123 -5.618 1.00 0.00 H new ATOM 0 HA LEU B 17 5.486 -7.461 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.703 -4.771 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.577 -4.833 -4.738 1.00 0.00 H new ATOM 0 HG LEU B 17 8.028 -5.292 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.110 -7.312 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.623 -6.182 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.652 -7.639 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.770 -7.474 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.303 -7.801 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.324 -6.459 -8.101 1.00 0.00 H new ATOM 583 N VAL B 18 5.102 -5.811 -2.766 1.00 0.00 N ATOM 584 CA VAL B 18 5.283 -5.970 -1.297 1.00 0.00 C ATOM 585 C VAL B 18 4.900 -7.397 -0.913 1.00 0.00 C ATOM 586 O VAL B 18 5.434 -7.979 0.011 1.00 0.00 O ATOM 587 CB VAL B 18 4.394 -4.943 -0.574 1.00 0.00 C ATOM 588 CG1 VAL B 18 3.080 -5.574 -0.100 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.148 -4.378 0.632 1.00 0.00 C ATOM 0 H VAL B 18 4.650 -4.944 -3.056 1.00 0.00 H new ATOM 0 HA VAL B 18 6.319 -5.795 -1.008 1.00 0.00 H new ATOM 0 HB VAL B 18 4.155 -4.146 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.476 -4.821 0.406 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.532 -5.961 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.296 -6.390 0.590 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.520 -3.650 1.146 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.399 -5.188 1.317 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.064 -3.893 0.294 1.00 0.00 H new ATOM 599 N CYS B 19 3.975 -7.958 -1.634 1.00 0.00 N ATOM 600 CA CYS B 19 3.535 -9.353 -1.344 1.00 0.00 C ATOM 601 C CYS B 19 4.255 -10.315 -2.294 1.00 0.00 C ATOM 602 O CYS B 19 5.182 -11.001 -1.913 1.00 0.00 O ATOM 603 CB CYS B 19 2.023 -9.468 -1.550 1.00 0.00 C ATOM 604 SG CYS B 19 1.166 -8.574 -0.234 1.00 0.00 S ATOM 0 H CYS B 19 3.500 -7.510 -2.417 1.00 0.00 H new ATOM 0 HA CYS B 19 3.777 -9.606 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.746 -9.060 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.723 -10.516 -1.547 1.00 0.00 H new HETATM 609 N DAL B 20 3.835 -10.365 -3.529 1.00 0.00 N HETATM 610 CA DAL B 20 4.496 -11.277 -4.506 1.00 0.00 C HETATM 611 CB DAL B 20 3.989 -10.966 -5.915 1.00 0.00 C HETATM 612 C DAL B 20 4.172 -12.733 -4.158 1.00 0.00 C HETATM 613 O DAL B 20 4.687 -13.652 -4.764 1.00 0.00 O HETATM 0 HB3 DAL B 20 2.910 -11.112 -5.954 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.224 -9.932 -6.166 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.471 -11.632 -6.630 1.00 0.00 H new HETATM 0 HA DAL B 20 5.575 -11.129 -4.464 1.00 0.00 H new HETATM 0 H DAL B 20 3.160 -9.672 -3.854 1.00 0.00 H new ATOM 619 N GLU B 21 3.325 -12.953 -3.191 1.00 0.00 N ATOM 620 CA GLU B 21 2.975 -14.350 -2.813 1.00 0.00 C ATOM 621 C GLU B 21 1.917 -14.333 -1.710 1.00 0.00 C ATOM 622 O GLU B 21 2.212 -14.548 -0.552 1.00 0.00 O ATOM 623 CB GLU B 21 4.227 -15.068 -2.306 1.00 0.00 C ATOM 624 CG GLU B 21 3.863 -16.495 -1.890 1.00 0.00 C ATOM 625 CD GLU B 21 4.343 -17.477 -2.960 1.00 0.00 C ATOM 626 OE1 GLU B 21 5.187 -17.093 -3.754 1.00 0.00 O ATOM 627 OE2 GLU B 21 3.855 -18.596 -2.970 1.00 0.00 O ATOM 0 H GLU B 21 2.861 -12.226 -2.647 1.00 0.00 H new ATOM 0 HA GLU B 21 2.581 -14.873 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.989 -15.088 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.651 -14.528 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.322 -16.734 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.785 -16.583 -1.758 1.00 0.00 H new ATOM 634 N ARG B 22 0.685 -14.081 -2.059 1.00 0.00 N ATOM 635 CA ARG B 22 -0.393 -14.048 -1.030 1.00 0.00 C ATOM 636 C ARG B 22 -1.692 -13.575 -1.682 1.00 0.00 C ATOM 637 O ARG B 22 -2.665 -14.298 -1.752 1.00 0.00 O ATOM 638 CB ARG B 22 -0.001 -13.082 0.090 1.00 0.00 C ATOM 639 CG ARG B 22 -0.356 -13.695 1.449 1.00 0.00 C ATOM 640 CD ARG B 22 0.908 -14.237 2.118 1.00 0.00 C ATOM 641 NE ARG B 22 0.703 -15.666 2.483 1.00 0.00 N ATOM 642 CZ ARG B 22 1.049 -16.093 3.666 1.00 0.00 C ATOM 643 NH1 ARG B 22 2.312 -16.183 3.983 1.00 0.00 N ATOM 644 NH2 ARG B 22 0.133 -16.432 4.534 1.00 0.00 N ATOM 0 H ARG B 22 0.378 -13.896 -3.014 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.534 -15.045 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.067 -12.871 0.044 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.520 -12.132 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.823 -12.944 2.086 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -1.082 -14.497 1.318 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.759 -14.141 1.443 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.140 -13.653 3.009 1.00 0.00 H new ATOM 0 HE ARG B 22 0.292 -16.311 1.808 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.028 -15.919 3.306 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.583 -16.517 4.908 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.854 -16.363 4.287 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.405 -16.766 5.459 1.00 0.00 H new HETATM 658 N DAL B 23 -1.712 -12.361 -2.162 1.00 0.00 N HETATM 659 CA DAL B 23 -2.944 -11.836 -2.814 1.00 0.00 C HETATM 660 CB DAL B 23 -2.607 -11.362 -4.229 1.00 0.00 C HETATM 661 C DAL B 23 -3.490 -10.660 -2.001 1.00 0.00 C HETATM 662 O DAL B 23 -4.626 -10.665 -1.570 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.857 -10.573 -4.179 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.216 -12.198 -4.809 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.507 -10.977 -4.708 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.695 -12.625 -2.862 1.00 0.00 H new ATOM 668 N PHE B 24 -2.689 -9.652 -1.791 1.00 0.00 N ATOM 669 CA PHE B 24 -3.157 -8.474 -1.010 1.00 0.00 C ATOM 670 C PHE B 24 -4.475 -7.961 -1.606 1.00 0.00 C ATOM 671 O PHE B 24 -5.050 -8.573 -2.485 1.00 0.00 O ATOM 672 CB PHE B 24 -2.094 -7.371 -1.081 1.00 0.00 C ATOM 673 CG PHE B 24 -2.188 -6.674 -2.416 1.00 0.00 C ATOM 674 CD1 PHE B 24 -3.037 -5.573 -2.563 1.00 0.00 C ATOM 675 CD2 PHE B 24 -1.448 -7.141 -3.510 1.00 0.00 C ATOM 676 CE1 PHE B 24 -3.147 -4.935 -3.801 1.00 0.00 C ATOM 677 CE2 PHE B 24 -1.556 -6.499 -4.751 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.408 -5.396 -4.896 1.00 0.00 C ATOM 0 H PHE B 24 -1.728 -9.594 -2.128 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.318 -8.758 0.030 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.242 -6.655 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.100 -7.799 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.608 -5.215 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.796 -7.994 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.803 -4.085 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.983 -6.854 -5.595 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.494 -4.902 -5.853 1.00 0.00 H new ATOM 688 N PHE B 25 -4.956 -6.841 -1.140 1.00 0.00 N ATOM 689 CA PHE B 25 -6.230 -6.297 -1.688 1.00 0.00 C ATOM 690 C PHE B 25 -6.223 -4.768 -1.615 1.00 0.00 C ATOM 691 O PHE B 25 -5.698 -4.183 -0.688 1.00 0.00 O ATOM 692 CB PHE B 25 -7.399 -6.834 -0.867 1.00 0.00 C ATOM 693 CG PHE B 25 -7.378 -6.206 0.506 1.00 0.00 C ATOM 694 CD1 PHE B 25 -6.637 -6.798 1.536 1.00 0.00 C ATOM 695 CD2 PHE B 25 -8.098 -5.028 0.748 1.00 0.00 C ATOM 696 CE1 PHE B 25 -6.616 -6.214 2.810 1.00 0.00 C ATOM 697 CE2 PHE B 25 -8.078 -4.445 2.022 1.00 0.00 C ATOM 698 CZ PHE B 25 -7.336 -5.039 3.053 1.00 0.00 C ATOM 0 H PHE B 25 -4.523 -6.281 -0.406 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.332 -6.605 -2.729 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.342 -6.611 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.331 -7.919 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.081 -7.705 1.349 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.668 -4.570 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.044 -6.671 3.604 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.634 -3.538 2.210 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.320 -4.589 4.035 1.00 0.00 H new ATOM 708 N TYR B 26 -6.813 -4.119 -2.583 1.00 0.00 N ATOM 709 CA TYR B 26 -6.856 -2.629 -2.565 1.00 0.00 C ATOM 710 C TYR B 26 -8.270 -2.156 -2.902 1.00 0.00 C ATOM 711 O TYR B 26 -8.808 -2.471 -3.944 1.00 0.00 O ATOM 712 CB TYR B 26 -5.875 -2.061 -3.587 1.00 0.00 C ATOM 713 CG TYR B 26 -5.304 -0.776 -3.042 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.411 -0.813 -1.962 1.00 0.00 C ATOM 715 CD2 TYR B 26 -5.675 0.453 -3.603 1.00 0.00 C ATOM 716 CE1 TYR B 26 -3.890 0.379 -1.442 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.151 1.644 -3.084 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.259 1.608 -2.004 1.00 0.00 C ATOM 719 OH TYR B 26 -3.748 2.782 -1.493 1.00 0.00 O ATOM 0 H TYR B 26 -7.267 -4.557 -3.385 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.577 -2.279 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.077 -2.777 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.380 -1.878 -4.536 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.125 -1.761 -1.531 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.364 0.482 -4.434 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.204 0.350 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.435 2.592 -3.517 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.822 2.638 -1.207 1.00 0.00 H new ATOM 729 N THR B 27 -8.877 -1.402 -2.028 1.00 0.00 N ATOM 730 CA THR B 27 -10.257 -0.910 -2.301 1.00 0.00 C ATOM 731 C THR B 27 -10.210 0.582 -2.635 1.00 0.00 C ATOM 732 O THR B 27 -9.568 1.359 -1.956 1.00 0.00 O ATOM 733 CB THR B 27 -11.132 -1.128 -1.065 1.00 0.00 C ATOM 734 OG1 THR B 27 -12.293 -0.318 -1.161 1.00 0.00 O ATOM 735 CG2 THR B 27 -10.344 -0.750 0.187 1.00 0.00 C ATOM 0 H THR B 27 -8.478 -1.105 -1.137 1.00 0.00 H new ATOM 0 HA THR B 27 -10.677 -1.459 -3.144 1.00 0.00 H new ATOM 0 HB THR B 27 -11.426 -2.176 -1.004 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.855 -0.458 -0.371 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.966 -0.905 1.069 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.453 -1.373 0.258 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.050 0.298 0.129 1.00 0.00 H new ATOM 743 N LYS B 28 -10.883 0.989 -3.676 1.00 0.00 N ATOM 744 CA LYS B 28 -10.874 2.430 -4.051 1.00 0.00 C ATOM 745 C LYS B 28 -12.313 2.957 -4.098 1.00 0.00 C ATOM 746 O LYS B 28 -12.950 2.918 -5.131 1.00 0.00 O ATOM 747 CB LYS B 28 -10.226 2.599 -5.425 1.00 0.00 C ATOM 748 CG LYS B 28 -9.848 4.067 -5.634 1.00 0.00 C ATOM 749 CD LYS B 28 -10.195 4.489 -7.062 1.00 0.00 C ATOM 750 CE LYS B 28 -9.569 5.852 -7.359 1.00 0.00 C ATOM 751 NZ LYS B 28 -10.053 6.347 -8.679 1.00 0.00 N ATOM 0 H LYS B 28 -11.438 0.386 -4.283 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.305 2.991 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.339 1.970 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.914 2.275 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.380 4.695 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.783 4.208 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.828 3.747 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.277 4.540 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.830 6.562 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.482 5.771 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.626 7.274 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.782 5.673 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.089 6.440 -8.656 1.00 0.00 H new ATOM 765 N PRO B 29 -12.775 3.438 -2.973 1.00 0.00 N ATOM 766 CA PRO B 29 -14.137 3.987 -2.845 1.00 0.00 C ATOM 767 C PRO B 29 -14.197 5.396 -3.434 1.00 0.00 C ATOM 768 O PRO B 29 -14.800 5.629 -4.463 1.00 0.00 O ATOM 769 CB PRO B 29 -14.370 4.018 -1.332 1.00 0.00 C ATOM 770 CG PRO B 29 -12.968 4.029 -0.675 1.00 0.00 C ATOM 771 CD PRO B 29 -11.986 3.479 -1.725 1.00 0.00 C ATOM 0 HA PRO B 29 -14.889 3.402 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.941 4.901 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.944 3.149 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.689 5.039 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.957 3.414 0.225 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.112 4.122 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.623 2.488 -1.451 1.00 0.00 H new ATOM 779 N THR B 30 -13.574 6.331 -2.784 1.00 0.00 N ATOM 780 CA THR B 30 -13.582 7.731 -3.291 1.00 0.00 C ATOM 781 C THR B 30 -12.844 7.795 -4.629 1.00 0.00 C ATOM 782 O THR B 30 -13.044 8.759 -5.349 1.00 0.00 O ATOM 783 CB THR B 30 -12.883 8.641 -2.278 1.00 0.00 C ATOM 784 OG1 THR B 30 -13.426 8.413 -0.984 1.00 0.00 O ATOM 785 CG2 THR B 30 -13.093 10.102 -2.672 1.00 0.00 C ATOM 786 OXT THR B 30 -12.092 6.877 -4.911 1.00 0.00 O ATOM 0 H THR B 30 -13.055 6.188 -1.917 1.00 0.00 H new ATOM 0 HA THR B 30 -14.611 8.062 -3.430 1.00 0.00 H new ATOM 0 HB THR B 30 -11.816 8.421 -2.268 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.978 8.994 -0.334 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.595 10.749 -1.950 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.675 10.275 -3.663 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.160 10.326 -2.684 1.00 0.00 H new TER 794 THR B 30