USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 26 NVA HD2 : 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 NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 165:sc=-0.00956 (180deg=-0.224) USER MOD Single : A 5 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.25) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.281 K(o=0.28,f=-4!) USER MOD Single : A 18 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.38) USER MOD Single : A 19 TYR OH : rot 171:sc= 0.00403 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.4!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.162 K(o=0.16,f=-1.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -18:sc= 1.23 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.318 0.761 -0.939 1.00 25.00 N ATOM 2 CA GLY A 1 0.107 -0.052 -1.184 1.00 25.00 C ATOM 3 C GLY A 1 -0.255 -0.078 -2.643 1.00 25.00 C ATOM 4 O GLY A 1 -1.392 -0.069 -3.079 1.00 25.00 O ATOM 0 H1 GLY A 1 1.396 0.970 0.077 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.159 0.234 -1.250 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.252 1.652 -1.471 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.274 -1.070 -0.832 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -0.726 0.352 -0.609 1.00 25.00 H new ATOM 9 N ILE A 2 0.791 -0.112 -3.466 1.00 25.00 N ATOM 10 CA ILE A 2 0.681 0.043 -4.920 1.00 25.00 C ATOM 11 C ILE A 2 -0.184 -1.064 -5.553 1.00 25.00 C ATOM 12 O ILE A 2 -0.932 -0.821 -6.517 1.00 25.00 O ATOM 13 CB ILE A 2 2.154 0.157 -5.536 1.00 25.00 C ATOM 14 CG1 ILE A 2 2.103 0.801 -6.957 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.953 -1.197 -5.550 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.590 2.222 -6.957 1.00 25.00 C ATOM 0 H ILE A 2 1.748 -0.249 -3.142 1.00 25.00 H new ATOM 0 HA ILE A 2 0.150 0.964 -5.160 1.00 25.00 H new ATOM 0 HB ILE A 2 2.712 0.810 -4.865 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.103 0.784 -7.391 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.466 0.193 -7.600 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.940 -1.033 -5.983 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.061 -1.566 -4.530 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.413 -1.932 -6.147 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.582 2.606 -7.977 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.578 2.243 -6.553 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.240 2.843 -6.341 1.00 25.00 H new ATOM 28 N VAL A 3 -0.126 -2.262 -4.994 1.00 25.00 N ATOM 29 CA VAL A 3 -0.951 -3.377 -5.481 1.00 25.00 C ATOM 30 C VAL A 3 -2.420 -3.062 -5.153 1.00 25.00 C ATOM 31 O VAL A 3 -3.332 -3.249 -5.973 1.00 25.00 O ATOM 32 CB VAL A 3 -0.517 -4.738 -4.851 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.516 -5.858 -5.202 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.914 -5.082 -5.317 1.00 25.00 C ATOM 0 H VAL A 3 0.478 -2.496 -4.206 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.819 -3.481 -6.558 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.518 -4.647 -3.765 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.187 -6.794 -4.750 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.503 -5.598 -4.821 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.565 -5.976 -6.285 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.221 -6.032 -4.879 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.934 -5.160 -6.404 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.599 -4.297 -4.997 1.00 25.00 H new ATOM 44 N GLU A 4 -2.642 -2.575 -3.944 1.00 25.00 N ATOM 45 CA GLU A 4 -4.009 -2.245 -3.499 1.00 25.00 C ATOM 46 C GLU A 4 -4.549 -1.116 -4.349 1.00 25.00 C ATOM 47 O GLU A 4 -5.722 -1.121 -4.711 1.00 25.00 O ATOM 48 CB GLU A 4 -4.064 -1.809 -2.013 1.00 25.00 C ATOM 49 CG GLU A 4 -4.971 -2.664 -1.139 1.00 25.00 C ATOM 50 CD GLU A 4 -5.111 -2.090 0.240 1.00 25.00 C ATOM 51 OE1 GLU A 4 -4.213 -2.143 1.070 1.00 25.00 O ATOM 52 OE2 GLU A 4 -6.194 -1.405 0.394 1.00 25.00 O ATOM 0 H GLU A 4 -1.913 -2.397 -3.253 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.609 -3.148 -3.606 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.055 -1.835 -1.602 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -4.402 -0.774 -1.963 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.954 -2.743 -1.602 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.567 -3.674 -1.074 1.00 25.00 H new ATOM 60 N GLN A 5 -3.701 -0.159 -4.717 1.00 25.00 N ATOM 61 CA GLN A 5 -4.141 0.957 -5.589 1.00 25.00 C ATOM 62 C GLN A 5 -4.483 0.510 -6.995 1.00 25.00 C ATOM 63 O GLN A 5 -5.458 0.981 -7.554 1.00 25.00 O ATOM 64 CB GLN A 5 -3.053 2.003 -5.684 1.00 25.00 C ATOM 65 CG GLN A 5 -2.935 2.848 -4.435 1.00 25.00 C ATOM 66 CD GLN A 5 -4.196 3.632 -4.145 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.664 4.422 -4.945 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.755 3.408 -2.979 1.00 25.00 N ATOM 0 H GLN A 5 -2.721 -0.121 -4.438 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.042 1.363 -5.129 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.099 1.511 -5.875 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.253 2.651 -6.537 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.707 2.205 -3.585 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.099 3.539 -4.545 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.336 2.739 -2.333 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.608 3.903 -2.719 1.00 25.00 H new ATOM 77 N CYS A 6 -3.705 -0.413 -7.564 1.00 25.00 N ATOM 78 CA CYS A 6 -3.988 -0.913 -8.891 1.00 25.00 C ATOM 79 C CYS A 6 -5.192 -1.816 -8.871 1.00 25.00 C ATOM 80 O CYS A 6 -5.800 -2.096 -9.896 1.00 25.00 O ATOM 81 CB CYS A 6 -2.733 -1.640 -9.428 1.00 25.00 C ATOM 82 SG CYS A 6 -2.508 -1.470 -11.228 1.00 25.00 S ATOM 0 H CYS A 6 -2.881 -0.821 -7.122 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.225 -0.085 -9.559 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.851 -1.248 -8.921 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.801 -2.698 -9.177 1.00 25.00 H new ATOM 87 N CYS A 7 -5.499 -2.340 -7.691 1.00 25.00 N ATOM 88 CA CYS A 7 -6.638 -3.249 -7.519 1.00 25.00 C ATOM 89 C CYS A 7 -7.921 -2.462 -7.292 1.00 25.00 C ATOM 90 O CYS A 7 -8.936 -2.726 -7.916 1.00 25.00 O ATOM 91 CB CYS A 7 -6.392 -4.170 -6.303 1.00 25.00 C ATOM 92 SG CYS A 7 -7.630 -5.462 -6.004 1.00 25.00 S ATOM 0 H CYS A 7 -4.978 -2.154 -6.834 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.740 -3.847 -8.425 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.421 -4.650 -6.429 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.326 -3.547 -5.411 1.00 25.00 H new ATOM 97 N THR A 8 -7.887 -1.452 -6.448 1.00 25.00 N ATOM 98 CA THR A 8 -9.106 -0.647 -6.128 1.00 25.00 C ATOM 99 C THR A 8 -9.423 0.390 -7.224 1.00 25.00 C ATOM 100 O THR A 8 -10.580 0.680 -7.470 1.00 25.00 O ATOM 101 CB THR A 8 -8.967 0.019 -4.698 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.256 0.461 -4.260 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.067 1.206 -4.730 1.00 25.00 C ATOM 0 H THR A 8 -7.044 -1.149 -5.959 1.00 25.00 H new ATOM 0 HA THR A 8 -9.959 -1.325 -6.101 1.00 25.00 H new ATOM 0 HB THR A 8 -8.548 -0.728 -4.024 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.177 0.873 -3.374 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.996 1.636 -3.731 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.075 0.902 -5.065 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.470 1.950 -5.417 1.00 25.00 H new ATOM 111 N SER A 9 -8.392 0.850 -7.944 1.00 25.00 N ATOM 112 CA SER A 9 -8.537 1.824 -9.030 1.00 25.00 C ATOM 113 C SER A 9 -8.041 1.153 -10.292 1.00 25.00 C ATOM 114 O SER A 9 -7.775 -0.028 -10.270 1.00 25.00 O ATOM 115 CB SER A 9 -7.731 3.068 -8.683 1.00 25.00 C ATOM 116 OG SER A 9 -8.181 4.178 -9.458 1.00 25.00 O ATOM 0 H SER A 9 -7.428 0.554 -7.787 1.00 25.00 H new ATOM 0 HA SER A 9 -9.571 2.138 -9.175 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.832 3.292 -7.621 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.672 2.889 -8.871 1.00 25.00 H new ATOM 0 HG SER A 9 -7.657 4.973 -9.226 1.00 25.00 H new ATOM 122 N ILE A 10 -7.922 1.863 -11.417 1.00 25.00 N ATOM 123 CA ILE A 10 -7.449 1.214 -12.650 1.00 25.00 C ATOM 124 C ILE A 10 -6.211 1.882 -13.193 1.00 25.00 C ATOM 125 O ILE A 10 -6.307 3.023 -13.671 1.00 25.00 O ATOM 126 CB ILE A 10 -8.586 1.167 -13.743 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.822 0.361 -13.212 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.003 0.493 -14.989 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.050 0.375 -14.131 1.00 25.00 C ATOM 0 H ILE A 10 -8.138 2.856 -11.504 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.184 0.189 -12.392 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.927 2.175 -13.981 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.520 -0.674 -13.051 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.109 0.764 -12.241 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.765 0.444 -15.767 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.152 1.071 -15.351 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.676 -0.516 -14.738 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.851 -0.209 -13.677 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.386 1.402 -14.274 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.787 -0.058 -15.096 1.00 25.00 H new ATOM 141 N CYS A 11 -5.107 1.171 -13.177 1.00 25.00 N ATOM 142 CA CYS A 11 -3.839 1.634 -13.777 1.00 25.00 C ATOM 143 C CYS A 11 -3.940 1.641 -15.306 1.00 25.00 C ATOM 144 O CYS A 11 -4.193 0.592 -15.905 1.00 25.00 O ATOM 145 CB CYS A 11 -2.702 0.678 -13.389 1.00 25.00 C ATOM 146 SG CYS A 11 -2.450 0.521 -11.591 1.00 25.00 S ATOM 0 H CYS A 11 -5.045 0.247 -12.749 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.640 2.641 -13.411 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.912 -0.308 -13.804 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.776 1.026 -13.847 1.00 25.00 H new ATOM 151 N SER A 12 -3.696 2.787 -15.922 1.00 25.00 N ATOM 152 CA SER A 12 -3.668 2.858 -17.390 1.00 25.00 C ATOM 153 C SER A 12 -2.256 2.537 -17.843 1.00 25.00 C ATOM 154 O SER A 12 -1.321 2.535 -17.050 1.00 25.00 O ATOM 155 CB SER A 12 -4.044 4.248 -17.867 1.00 25.00 C ATOM 156 OG SER A 12 -5.393 4.553 -17.561 1.00 25.00 O ATOM 0 H SER A 12 -3.516 3.671 -15.446 1.00 25.00 H new ATOM 0 HA SER A 12 -4.384 2.150 -17.806 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.389 4.984 -17.401 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.889 4.319 -18.944 1.00 25.00 H new ATOM 0 HG SER A 12 -5.605 5.455 -17.879 1.00 25.00 H new ATOM 162 N LEU A 13 -2.082 2.363 -19.156 1.00 25.00 N ATOM 163 CA LEU A 13 -0.804 2.003 -19.744 1.00 25.00 C ATOM 164 C LEU A 13 0.387 2.868 -19.324 1.00 25.00 C ATOM 165 O LEU A 13 1.497 2.368 -19.133 1.00 25.00 O ATOM 166 CB LEU A 13 -0.945 2.069 -21.279 1.00 25.00 C ATOM 167 CG LEU A 13 -1.821 0.974 -21.885 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.224 1.320 -23.317 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.060 -0.353 -21.904 1.00 25.00 C ATOM 0 H LEU A 13 -2.833 2.470 -19.838 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.578 1.003 -19.375 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.359 3.040 -21.551 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.048 2.010 -21.725 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.717 0.890 -21.270 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.847 0.523 -23.722 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.783 2.255 -23.322 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.330 1.429 -23.930 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.692 -1.128 -22.338 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.155 -0.245 -22.502 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.790 -0.632 -20.886 1.00 25.00 H new ATOM 181 N TYR A 14 0.139 4.173 -19.155 1.00 25.00 N ATOM 182 CA TYR A 14 1.195 5.140 -18.795 1.00 25.00 C ATOM 183 C TYR A 14 1.602 4.919 -17.351 1.00 25.00 C ATOM 184 O TYR A 14 2.796 4.971 -16.999 1.00 25.00 O ATOM 185 CB TYR A 14 0.650 6.588 -18.920 1.00 25.00 C ATOM 186 CG TYR A 14 -0.451 6.668 -19.923 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.190 6.615 -21.302 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.773 6.738 -19.477 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.230 6.643 -22.236 1.00 25.00 C ATOM 190 CE2 TYR A 14 -2.850 6.779 -20.392 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.567 6.729 -21.762 1.00 25.00 C ATOM 192 OH TYR A 14 -3.640 6.759 -22.615 1.00 25.00 O ATOM 0 H TYR A 14 -0.786 4.589 -19.261 1.00 25.00 H new ATOM 0 HA TYR A 14 2.044 4.999 -19.463 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.286 6.927 -17.950 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.458 7.259 -19.210 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.832 6.552 -21.647 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.976 6.761 -18.416 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.022 6.600 -23.295 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.869 6.847 -20.041 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.469 6.818 -22.096 1.00 25.00 H new ATOM 202 N GLN A 15 0.645 4.616 -16.511 1.00 25.00 N ATOM 203 CA GLN A 15 0.918 4.415 -15.105 1.00 25.00 C ATOM 204 C GLN A 15 1.731 3.126 -14.954 1.00 25.00 C ATOM 205 O GLN A 15 2.634 3.039 -14.150 1.00 25.00 O ATOM 206 CB GLN A 15 -0.381 4.327 -14.333 1.00 25.00 C ATOM 207 CG GLN A 15 -1.277 5.572 -14.452 1.00 25.00 C ATOM 208 CD GLN A 15 -2.463 5.517 -13.516 1.00 25.00 C ATOM 209 OE1 GLN A 15 -3.517 5.077 -13.924 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.302 5.977 -12.309 1.00 25.00 N ATOM 0 H GLN A 15 -0.334 4.502 -16.774 1.00 25.00 H new ATOM 0 HA GLN A 15 1.487 5.254 -14.704 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.939 3.458 -14.682 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.153 4.158 -13.281 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.688 6.463 -14.236 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.631 5.665 -15.479 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -1.393 6.336 -12.017 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -3.085 5.979 -11.655 1.00 25.00 H new ATOM 219 N LEU A 16 1.394 2.135 -15.767 1.00 25.00 N ATOM 220 CA LEU A 16 2.115 0.891 -15.761 1.00 25.00 C ATOM 221 C LEU A 16 3.550 1.130 -16.265 1.00 25.00 C ATOM 222 O LEU A 16 4.512 0.603 -15.714 1.00 25.00 O ATOM 223 CB LEU A 16 1.363 -0.125 -16.624 1.00 25.00 C ATOM 224 CG LEU A 16 -0.023 -0.563 -16.124 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.726 -1.379 -17.218 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.075 -1.352 -14.861 1.00 25.00 C ATOM 0 H LEU A 16 0.625 2.178 -16.435 1.00 25.00 H new ATOM 0 HA LEU A 16 2.184 0.489 -14.750 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.247 0.296 -17.623 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.986 -1.014 -16.723 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.609 0.329 -15.904 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.709 -1.690 -16.865 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.839 -0.767 -18.113 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.130 -2.260 -17.454 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.924 -1.645 -14.537 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.676 -2.244 -15.035 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.544 -0.744 -14.088 1.00 25.00 H new ATOM 238 N GLU A 17 3.686 1.949 -17.277 1.00 25.00 N ATOM 239 CA GLU A 17 4.979 2.280 -17.837 1.00 25.00 C ATOM 240 C GLU A 17 5.855 3.048 -16.808 1.00 25.00 C ATOM 241 O GLU A 17 7.074 2.950 -16.870 1.00 25.00 O ATOM 242 CB GLU A 17 4.887 3.094 -19.132 1.00 25.00 C ATOM 243 CG GLU A 17 4.302 2.334 -20.332 1.00 25.00 C ATOM 244 CD GLU A 17 5.348 2.038 -21.350 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.330 2.508 -22.485 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.304 1.256 -20.937 1.00 25.00 O ATOM 0 H GLU A 17 2.902 2.409 -17.740 1.00 25.00 H new ATOM 0 HA GLU A 17 5.446 1.326 -18.081 1.00 25.00 H new ATOM 0 HB2 GLU A 17 4.276 3.977 -18.946 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.885 3.446 -19.395 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.851 1.402 -19.990 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.507 2.925 -20.786 1.00 25.00 H new ATOM 254 N ASN A 18 5.251 3.767 -15.858 1.00 25.00 N ATOM 255 CA ASN A 18 6.032 4.400 -14.774 1.00 25.00 C ATOM 256 C ASN A 18 6.655 3.361 -13.823 1.00 25.00 C ATOM 257 O ASN A 18 7.600 3.660 -13.075 1.00 25.00 O ATOM 258 CB ASN A 18 5.170 5.361 -13.966 1.00 25.00 C ATOM 259 CG ASN A 18 4.770 6.576 -14.745 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.579 7.184 -15.446 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.538 6.962 -14.592 1.00 25.00 N ATOM 0 H ASN A 18 4.245 3.928 -15.810 1.00 25.00 H new ATOM 0 HA ASN A 18 6.838 4.951 -15.259 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.274 4.841 -13.627 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.716 5.670 -13.075 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.205 7.803 -15.064 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.905 6.424 -14.000 1.00 25.00 H new ATOM 268 N TYR A 19 6.132 2.130 -13.811 1.00 25.00 N ATOM 269 CA TYR A 19 6.624 1.080 -12.925 1.00 25.00 C ATOM 270 C TYR A 19 7.845 0.375 -13.566 1.00 25.00 C ATOM 271 O TYR A 19 8.373 -0.595 -13.007 1.00 25.00 O ATOM 272 CB TYR A 19 5.554 0.021 -12.623 1.00 25.00 C ATOM 273 CG TYR A 19 4.282 0.562 -11.980 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.313 1.704 -11.139 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.034 -0.055 -12.229 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.101 2.214 -10.592 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.860 0.450 -11.678 1.00 25.00 C ATOM 278 CZ TYR A 19 1.899 1.560 -10.868 1.00 25.00 C ATOM 279 OH TYR A 19 0.735 2.045 -10.366 1.00 25.00 O ATOM 0 H TYR A 19 5.361 1.839 -14.412 1.00 25.00 H new ATOM 0 HA TYR A 19 6.903 1.563 -11.989 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.289 -0.482 -13.553 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.985 -0.733 -11.964 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.253 2.185 -10.914 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.991 -0.933 -12.857 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.112 3.097 -9.970 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.916 -0.031 -11.887 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.019 1.565 -10.767 1.00 25.00 H new ATOM 289 N CYS A 20 8.227 0.842 -14.752 1.00 25.00 N ATOM 290 CA CYS A 20 9.303 0.283 -15.557 1.00 25.00 C ATOM 291 C CYS A 20 10.355 1.371 -15.695 1.00 25.00 C ATOM 292 O CYS A 20 10.214 2.453 -15.133 1.00 25.00 O ATOM 293 CB CYS A 20 8.761 -0.066 -16.933 1.00 25.00 C ATOM 294 SG CYS A 20 7.321 -1.201 -16.889 1.00 25.00 S ATOM 0 H CYS A 20 7.780 1.647 -15.191 1.00 25.00 H new ATOM 0 HA CYS A 20 9.719 -0.615 -15.100 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.474 0.852 -17.445 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.556 -0.524 -17.522 1.00 25.00 H new ATOM 299 N ASN A 21 11.377 1.163 -16.516 1.00 25.00 N ATOM 300 CA ASN A 21 12.335 2.242 -16.838 1.00 25.00 C ATOM 301 C ASN A 21 11.951 2.929 -18.162 1.00 25.00 C ATOM 302 O ASN A 21 12.068 2.431 -19.269 1.00 25.00 O ATOM 303 CB ASN A 21 13.780 1.705 -16.889 1.00 25.00 C ATOM 304 CG ASN A 21 14.709 2.807 -17.201 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.570 3.908 -16.785 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.680 2.506 -18.046 1.00 25.00 N ATOM 307 OXT ASN A 21 11.380 4.059 -17.980 1.00 25.00 O ATOM 0 H ASN A 21 11.573 0.272 -16.972 1.00 25.00 H new ATOM 0 HA ASN A 21 12.288 2.986 -16.043 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.044 1.253 -15.933 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.861 0.923 -17.644 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.330 3.229 -18.354 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.779 1.551 -18.390 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.131 -4.159 -25.622 1.00 25.00 N ATOM 317 CA PHE B 1 -5.154 -3.963 -24.122 1.00 25.00 C ATOM 318 C PHE B 1 -6.471 -3.410 -23.613 1.00 25.00 C ATOM 319 O PHE B 1 -7.123 -2.616 -24.234 1.00 25.00 O ATOM 320 CB PHE B 1 -4.063 -2.996 -23.734 1.00 25.00 C ATOM 321 CG PHE B 1 -3.682 -3.115 -22.287 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.813 -4.121 -21.834 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.188 -2.201 -21.362 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.411 -4.203 -20.494 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.819 -2.312 -20.009 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.908 -3.281 -19.592 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.206 -4.539 -25.908 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.879 -4.827 -25.896 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.292 -3.246 -26.094 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.008 -4.946 -23.675 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.185 -3.175 -24.354 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.394 -1.978 -23.937 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.444 -4.852 -22.538 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.857 -1.416 -21.682 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.725 -4.973 -20.172 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.248 -1.637 -19.283 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.589 -3.312 -18.561 1.00 25.00 H new ATOM 337 N VAL B 2 -6.886 -3.832 -22.390 1.00 25.00 N ATOM 338 CA VAL B 2 -8.124 -3.333 -21.771 1.00 25.00 C ATOM 339 C VAL B 2 -7.812 -2.860 -20.324 1.00 25.00 C ATOM 340 O VAL B 2 -7.247 -3.577 -19.544 1.00 25.00 O ATOM 341 CB VAL B 2 -9.259 -4.444 -21.881 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.862 -5.725 -21.149 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.618 -3.916 -21.402 1.00 25.00 C ATOM 0 H VAL B 2 -6.379 -4.512 -21.823 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.516 -2.462 -22.296 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.366 -4.694 -22.937 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.660 -6.461 -21.245 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.946 -6.124 -21.585 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.696 -5.505 -20.094 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.367 -4.703 -21.492 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.541 -3.606 -20.360 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.913 -3.063 -22.013 1.00 25.00 H new ATOM 353 N ASN B 3 -8.168 -1.620 -20.044 1.00 25.00 N ATOM 354 CA ASN B 3 -7.895 -1.011 -18.731 1.00 25.00 C ATOM 355 C ASN B 3 -8.855 -1.636 -17.731 1.00 25.00 C ATOM 356 O ASN B 3 -10.022 -1.292 -17.725 1.00 25.00 O ATOM 357 CB ASN B 3 -8.095 0.519 -18.791 1.00 25.00 C ATOM 358 CG ASN B 3 -6.970 1.238 -19.488 1.00 25.00 C ATOM 359 OD1 ASN B 3 -5.840 0.757 -19.518 1.00 25.00 O ATOM 360 ND2 ASN B 3 -7.235 2.370 -20.043 1.00 25.00 N ATOM 0 H ASN B 3 -8.648 -1.005 -20.701 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.862 -1.193 -18.433 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.031 0.737 -19.306 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.192 0.906 -17.777 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.498 2.888 -20.521 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -8.182 2.748 -20.004 1.00 25.00 H new ATOM 367 N GLN B 4 -8.381 -2.539 -16.858 1.00 25.00 N ATOM 368 CA GLN B 4 -9.235 -3.135 -15.831 1.00 25.00 C ATOM 369 C GLN B 4 -8.479 -3.107 -14.485 1.00 25.00 C ATOM 370 O GLN B 4 -7.277 -2.888 -14.433 1.00 25.00 O ATOM 371 CB GLN B 4 -9.593 -4.581 -16.201 1.00 25.00 C ATOM 372 CG GLN B 4 -10.284 -4.754 -17.528 1.00 25.00 C ATOM 373 CD GLN B 4 -10.916 -6.113 -17.685 1.00 25.00 C ATOM 374 OE1 GLN B 4 -12.097 -6.293 -17.429 1.00 25.00 O ATOM 375 NE2 GLN B 4 -10.130 -7.060 -18.088 1.00 25.00 N ATOM 0 H GLN B 4 -7.416 -2.868 -16.846 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.161 -2.566 -15.752 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.679 -5.174 -16.206 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.234 -4.990 -15.420 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -11.051 -3.987 -17.636 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -9.563 -4.599 -18.331 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.150 -6.859 -18.289 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -10.490 -8.007 -18.204 1.00 25.00 H new ATOM 384 N HIS B 5 -9.180 -3.407 -13.415 1.00 25.00 N ATOM 385 CA HIS B 5 -8.572 -3.526 -12.080 1.00 25.00 C ATOM 386 C HIS B 5 -7.510 -4.662 -12.086 1.00 25.00 C ATOM 387 O HIS B 5 -7.785 -5.745 -12.624 1.00 25.00 O ATOM 388 CB HIS B 5 -9.664 -3.812 -11.059 1.00 25.00 C ATOM 389 CG HIS B 5 -10.604 -2.652 -10.842 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.230 -1.491 -10.173 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.905 -2.430 -11.194 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.254 -0.646 -10.125 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.272 -1.186 -10.740 1.00 25.00 N ATOM 0 H HIS B 5 -10.186 -3.578 -13.430 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.074 -2.594 -11.813 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.239 -4.679 -11.386 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.201 -4.077 -10.108 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.306 -1.315 -9.778 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.538 -3.116 -11.737 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.246 0.326 -9.655 1.00 25.00 H new ATOM 402 N LEU B 6 -6.369 -4.445 -11.465 1.00 25.00 N ATOM 403 CA LEU B 6 -5.284 -5.437 -11.448 1.00 25.00 C ATOM 404 C LEU B 6 -4.921 -5.736 -10.007 1.00 25.00 C ATOM 405 O LEU B 6 -4.280 -4.929 -9.317 1.00 25.00 O ATOM 406 CB LEU B 6 -4.040 -4.924 -12.168 1.00 25.00 C ATOM 407 CG LEU B 6 -4.224 -4.297 -13.557 1.00 25.00 C ATOM 408 CD1 LEU B 6 -2.832 -3.906 -14.074 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.873 -5.200 -14.602 1.00 25.00 C ATOM 0 H LEU B 6 -6.156 -3.586 -10.958 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.633 -6.333 -11.962 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.564 -4.183 -11.526 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.343 -5.756 -12.266 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.903 -3.455 -13.425 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.924 -3.456 -15.062 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.378 -3.189 -13.390 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.205 -4.795 -14.137 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.957 -4.662 -15.546 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.260 -6.090 -14.745 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.866 -5.494 -14.263 1.00 25.00 H new ATOM 421 N CYS B 7 -5.243 -6.944 -9.552 1.00 25.00 N ATOM 422 CA CYS B 7 -4.866 -7.403 -8.210 1.00 25.00 C ATOM 423 C CYS B 7 -3.992 -8.656 -8.412 1.00 25.00 C ATOM 424 O CYS B 7 -4.147 -9.378 -9.415 1.00 25.00 O ATOM 425 CB CYS B 7 -6.125 -7.734 -7.390 1.00 25.00 C ATOM 426 SG CYS B 7 -7.510 -6.591 -7.686 1.00 25.00 S ATOM 0 H CYS B 7 -5.768 -7.630 -10.094 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.321 -6.636 -7.660 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.446 -8.749 -7.626 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.872 -7.718 -6.330 1.00 25.00 H new ATOM 431 N GLY B 8 -3.082 -8.928 -7.464 1.00 25.00 N ATOM 432 CA GLY B 8 -2.271 -10.133 -7.513 1.00 25.00 C ATOM 433 C GLY B 8 -1.551 -10.315 -8.831 1.00 25.00 C ATOM 434 O GLY B 8 -0.982 -9.394 -9.388 1.00 25.00 O ATOM 0 H GLY B 8 -2.897 -8.326 -6.661 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.538 -10.102 -6.707 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.908 -10.999 -7.332 1.00 25.00 H new ATOM 438 N SER B 9 -1.619 -11.519 -9.362 1.00 25.00 N ATOM 439 CA SER B 9 -0.880 -11.890 -10.573 1.00 25.00 C ATOM 440 C SER B 9 -1.258 -11.066 -11.840 1.00 25.00 C ATOM 441 O SER B 9 -0.570 -11.098 -12.881 1.00 25.00 O ATOM 442 CB SER B 9 -1.124 -13.394 -10.804 1.00 25.00 C ATOM 443 OG SER B 9 -0.411 -13.917 -11.909 1.00 25.00 O ATOM 0 H SER B 9 -2.185 -12.274 -8.974 1.00 25.00 H new ATOM 0 HA SER B 9 0.174 -11.664 -10.413 1.00 25.00 H new ATOM 0 HB2 SER B 9 -0.840 -13.942 -9.906 1.00 25.00 H new ATOM 0 HB3 SER B 9 -2.190 -13.562 -10.957 1.00 25.00 H new ATOM 0 HG SER B 9 -0.606 -14.873 -12.002 1.00 25.00 H new ATOM 449 N HIS B 10 -2.346 -10.301 -11.799 1.00 25.00 N ATOM 450 CA HIS B 10 -2.749 -9.499 -12.992 1.00 25.00 C ATOM 451 C HIS B 10 -1.741 -8.384 -13.175 1.00 25.00 C ATOM 452 O HIS B 10 -1.617 -7.832 -14.242 1.00 25.00 O ATOM 453 CB HIS B 10 -4.172 -8.887 -12.856 1.00 25.00 C ATOM 454 CG HIS B 10 -5.251 -9.845 -13.274 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.204 -9.585 -14.265 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.600 -11.081 -12.805 1.00 25.00 C ATOM 457 CE1 HIS B 10 -7.043 -10.607 -14.377 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.700 -11.511 -13.508 1.00 25.00 N ATOM 0 H HIS B 10 -2.959 -10.208 -10.989 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.772 -10.166 -13.854 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.338 -8.587 -11.821 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.236 -7.985 -13.464 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.098 -11.625 -12.018 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.868 -10.676 -15.070 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.175 -12.403 -13.369 1.00 25.00 H new ATOM 467 N LEU B 11 -1.002 -8.038 -12.113 1.00 25.00 N ATOM 468 CA LEU B 11 0.002 -6.932 -12.249 1.00 25.00 C ATOM 469 C LEU B 11 1.217 -7.416 -13.039 1.00 25.00 C ATOM 470 O LEU B 11 1.595 -6.788 -14.006 1.00 25.00 O ATOM 471 CB LEU B 11 0.438 -6.425 -10.866 1.00 25.00 C ATOM 472 CG LEU B 11 -0.373 -5.306 -10.206 1.00 25.00 C ATOM 473 CD1 LEU B 11 -1.125 -5.785 -9.018 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.528 -4.155 -9.782 1.00 25.00 C ATOM 0 H LEU B 11 -1.059 -8.470 -11.191 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.464 -6.108 -12.789 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.440 -7.277 -10.187 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.469 -6.082 -10.949 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.086 -4.962 -10.956 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -1.685 -4.957 -8.584 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.816 -6.572 -9.318 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.426 -6.178 -8.279 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.074 -3.374 -9.316 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.269 -4.516 -9.069 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.035 -3.749 -10.657 1.00 25.00 H new ATOM 486 N VAL B 12 1.797 -8.547 -12.660 1.00 25.00 N ATOM 487 CA VAL B 12 2.997 -9.064 -13.325 1.00 25.00 C ATOM 488 C VAL B 12 2.655 -9.382 -14.760 1.00 25.00 C ATOM 489 O VAL B 12 3.381 -9.052 -15.655 1.00 25.00 O ATOM 490 CB VAL B 12 3.599 -10.352 -12.581 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.519 -11.292 -12.077 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.620 -11.122 -13.500 1.00 25.00 C ATOM 0 H VAL B 12 1.459 -9.129 -11.894 1.00 25.00 H new ATOM 0 HA VAL B 12 3.773 -8.299 -13.286 1.00 25.00 H new ATOM 0 HB VAL B 12 4.134 -9.979 -11.708 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.982 -12.146 -11.582 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.879 -10.765 -11.369 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.919 -11.641 -12.918 1.00 25.00 H new ATOM 0 HG21 VAL B 12 5.009 -11.989 -12.965 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.115 -11.452 -14.408 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.444 -10.459 -13.764 1.00 25.00 H new ATOM 502 N GLU B 13 1.459 -9.927 -15.008 1.00 25.00 N ATOM 503 CA GLU B 13 1.005 -10.193 -16.377 1.00 25.00 C ATOM 504 C GLU B 13 0.822 -8.917 -17.193 1.00 25.00 C ATOM 505 O GLU B 13 1.298 -8.835 -18.321 1.00 25.00 O ATOM 506 CB GLU B 13 -0.291 -10.956 -16.392 1.00 25.00 C ATOM 507 CG GLU B 13 -0.201 -12.409 -16.047 1.00 25.00 C ATOM 508 CD GLU B 13 0.076 -13.275 -17.252 1.00 25.00 C ATOM 509 OE1 GLU B 13 -0.100 -14.464 -17.254 1.00 25.00 O ATOM 510 OE2 GLU B 13 0.572 -12.683 -18.282 1.00 25.00 O ATOM 0 H GLU B 13 0.792 -10.191 -14.283 1.00 25.00 H new ATOM 0 HA GLU B 13 1.793 -10.792 -16.833 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.979 -10.479 -15.693 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.732 -10.865 -17.385 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.588 -12.555 -15.310 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -1.134 -12.727 -15.582 1.00 25.00 H new ATOM 518 N ALA B 14 0.213 -7.903 -16.627 1.00 25.00 N ATOM 519 CA ALA B 14 0.067 -6.649 -17.345 1.00 25.00 C ATOM 520 C ALA B 14 1.413 -6.002 -17.681 1.00 25.00 C ATOM 521 O ALA B 14 1.630 -5.494 -18.766 1.00 25.00 O ATOM 522 CB ALA B 14 -0.762 -5.685 -16.564 1.00 25.00 C ATOM 0 H ALA B 14 -0.185 -7.914 -15.688 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.432 -6.890 -18.284 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.858 -4.753 -17.121 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.751 -6.110 -16.395 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.283 -5.487 -15.605 1.00 25.00 H new ATOM 528 N LEU B 15 2.301 -6.016 -16.708 1.00 25.00 N ATOM 529 CA LEU B 15 3.629 -5.413 -16.869 1.00 25.00 C ATOM 530 C LEU B 15 4.533 -6.170 -17.829 1.00 25.00 C ATOM 531 O LEU B 15 5.265 -5.581 -18.602 1.00 25.00 O ATOM 532 CB LEU B 15 4.291 -5.242 -15.491 1.00 25.00 C ATOM 533 CG LEU B 15 3.578 -4.207 -14.592 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.192 -4.192 -13.173 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.647 -2.853 -15.220 1.00 25.00 C ATOM 0 H LEU B 15 2.137 -6.436 -15.793 1.00 25.00 H new ATOM 0 HA LEU B 15 3.482 -4.435 -17.328 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.306 -6.205 -14.981 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.329 -4.938 -15.630 1.00 25.00 H new ATOM 0 HG LEU B 15 2.530 -4.492 -14.494 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.673 -3.455 -12.560 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.088 -5.178 -12.721 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.249 -3.931 -13.236 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.142 -2.129 -14.580 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.690 -2.562 -15.344 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.159 -2.879 -16.194 1.00 25.00 H new ATOM 547 N TYR B 16 4.348 -7.479 -17.876 1.00 25.00 N ATOM 548 CA TYR B 16 5.019 -8.330 -18.835 1.00 25.00 C ATOM 549 C TYR B 16 4.548 -7.954 -20.216 1.00 25.00 C ATOM 550 O TYR B 16 5.337 -7.849 -21.139 1.00 25.00 O ATOM 551 CB TYR B 16 4.701 -9.819 -18.577 1.00 25.00 C ATOM 552 CG TYR B 16 5.053 -10.706 -19.753 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.380 -11.096 -19.976 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.039 -11.094 -20.658 1.00 25.00 C ATOM 555 CE1 TYR B 16 6.698 -11.946 -21.089 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.354 -11.931 -21.760 1.00 25.00 C ATOM 557 CZ TYR B 16 5.674 -12.335 -21.984 1.00 25.00 C ATOM 558 OH TYR B 16 5.952 -13.114 -23.064 1.00 25.00 O ATOM 0 H TYR B 16 3.724 -7.981 -17.244 1.00 25.00 H new ATOM 0 HA TYR B 16 6.096 -8.191 -18.740 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.249 -10.156 -17.697 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.640 -9.926 -18.352 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.162 -10.758 -19.312 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.025 -10.754 -20.511 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.712 -12.286 -21.242 1.00 25.00 H new ATOM 0 HE2 TYR B 16 3.571 -12.257 -22.428 1.00 25.00 H new ATOM 0 HH TYR B 16 5.128 -13.283 -23.566 1.00 25.00 H new ATOM 568 N LEU B 17 3.254 -7.670 -20.357 1.00 25.00 N ATOM 569 CA LEU B 17 2.686 -7.230 -21.648 1.00 25.00 C ATOM 570 C LEU B 17 3.178 -5.833 -22.098 1.00 25.00 C ATOM 571 O LEU B 17 3.528 -5.637 -23.248 1.00 25.00 O ATOM 572 CB LEU B 17 1.147 -7.225 -21.621 1.00 25.00 C ATOM 573 CG LEU B 17 0.403 -8.563 -21.511 1.00 25.00 C ATOM 574 CD1 LEU B 17 -1.080 -8.278 -21.265 1.00 25.00 C ATOM 575 CD2 LEU B 17 0.585 -9.418 -22.784 1.00 25.00 C ATOM 0 H LEU B 17 2.574 -7.734 -19.600 1.00 25.00 H new ATOM 0 HA LEU B 17 3.044 -7.962 -22.371 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.834 -6.604 -20.782 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.803 -6.730 -22.529 1.00 25.00 H new ATOM 0 HG LEU B 17 0.818 -9.133 -20.680 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.623 -9.220 -21.184 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.193 -7.713 -20.340 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.482 -7.698 -22.096 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.045 -10.358 -22.671 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.194 -8.876 -23.645 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.645 -9.624 -22.935 1.00 25.00 H new ATOM 587 N VAL B 18 3.167 -4.846 -21.210 1.00 25.00 N ATOM 588 CA VAL B 18 3.466 -3.482 -21.623 1.00 25.00 C ATOM 589 C VAL B 18 4.973 -3.143 -21.622 1.00 25.00 C ATOM 590 O VAL B 18 5.441 -2.317 -22.415 1.00 25.00 O ATOM 591 CB VAL B 18 2.687 -2.482 -20.722 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.279 -2.342 -19.280 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.581 -1.119 -21.363 1.00 25.00 C ATOM 0 H VAL B 18 2.958 -4.961 -20.218 1.00 25.00 H new ATOM 0 HA VAL B 18 3.143 -3.393 -22.660 1.00 25.00 H new ATOM 0 HB VAL B 18 1.691 -2.912 -20.620 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.684 -1.628 -18.710 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.258 -3.311 -18.782 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.308 -1.989 -19.342 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.030 -0.449 -20.703 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.580 -0.719 -21.535 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.056 -1.204 -22.314 1.00 25.00 H new ATOM 603 N CYS B 19 5.740 -3.774 -20.742 1.00 25.00 N ATOM 604 CA CYS B 19 7.179 -3.495 -20.646 1.00 25.00 C ATOM 605 C CYS B 19 8.039 -4.692 -20.951 1.00 25.00 C ATOM 606 O CYS B 19 9.066 -4.561 -21.640 1.00 25.00 O ATOM 607 CB CYS B 19 7.587 -2.993 -19.256 1.00 25.00 C ATOM 608 SG CYS B 19 6.837 -1.400 -18.836 1.00 25.00 S ATOM 0 H CYS B 19 5.400 -4.478 -20.087 1.00 25.00 H new ATOM 0 HA CYS B 19 7.346 -2.722 -21.396 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.299 -3.733 -18.509 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.672 -2.901 -19.212 1.00 25.00 H new ATOM 613 N GLY B 20 7.640 -5.855 -20.440 1.00 25.00 N ATOM 614 CA GLY B 20 8.309 -7.119 -20.763 1.00 25.00 C ATOM 615 C GLY B 20 9.823 -7.206 -20.556 1.00 25.00 C ATOM 616 O GLY B 20 10.311 -7.222 -19.411 1.00 25.00 O ATOM 0 H GLY B 20 6.854 -5.951 -19.798 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.845 -7.904 -20.166 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.101 -7.349 -21.808 1.00 25.00 H new ATOM 620 N GLU B 21 10.540 -7.165 -21.646 1.00 25.00 N ATOM 621 CA GLU B 21 12.011 -7.191 -21.630 1.00 25.00 C ATOM 622 C GLU B 21 12.624 -6.025 -20.799 1.00 25.00 C ATOM 623 O GLU B 21 13.709 -6.141 -20.224 1.00 25.00 O ATOM 624 CB GLU B 21 12.558 -7.071 -23.042 1.00 25.00 C ATOM 625 CG GLU B 21 12.336 -8.314 -23.926 1.00 25.00 C ATOM 626 CD GLU B 21 13.324 -9.428 -23.658 1.00 25.00 C ATOM 627 OE1 GLU B 21 14.485 -9.326 -23.868 1.00 25.00 O ATOM 628 OE2 GLU B 21 12.749 -10.534 -23.313 1.00 25.00 O ATOM 0 H GLU B 21 10.137 -7.112 -22.582 1.00 25.00 H new ATOM 0 HA GLU B 21 12.288 -8.141 -21.173 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.094 -6.211 -23.525 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.627 -6.867 -22.987 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.325 -8.689 -23.765 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.405 -8.022 -24.974 1.00 25.00 H new ATOM 636 N ARG B 22 11.924 -4.912 -20.717 1.00 25.00 N ATOM 637 CA ARG B 22 12.388 -3.754 -19.946 1.00 25.00 C ATOM 638 C ARG B 22 12.215 -4.008 -18.430 1.00 25.00 C ATOM 639 O ARG B 22 12.906 -3.428 -17.601 1.00 25.00 O ATOM 640 CB ARG B 22 11.627 -2.501 -20.388 1.00 25.00 C ATOM 641 CG ARG B 22 11.694 -2.265 -21.908 1.00 25.00 C ATOM 642 CD ARG B 22 11.044 -0.899 -22.248 1.00 25.00 C ATOM 643 NE ARG B 22 11.980 0.236 -22.131 1.00 25.00 N ATOM 644 CZ ARG B 22 11.780 1.474 -22.612 1.00 25.00 C ATOM 645 NH1 ARG B 22 10.627 1.789 -23.204 1.00 25.00 N ATOM 646 NH2 ARG B 22 12.733 2.373 -22.512 1.00 25.00 N ATOM 0 H ARG B 22 11.023 -4.775 -21.175 1.00 25.00 H new ATOM 0 HA ARG B 22 13.450 -3.598 -20.136 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.584 -2.590 -20.085 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.036 -1.632 -19.872 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.731 -2.280 -22.244 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.177 -3.067 -22.435 1.00 25.00 H new ATOM 0 HD2 ARG B 22 10.651 -0.934 -23.264 1.00 25.00 H new ATOM 0 HD3 ARG B 22 10.196 -0.732 -21.584 1.00 25.00 H new ATOM 0 HE ARG B 22 12.858 0.065 -21.641 1.00 25.00 H new ATOM 0 HH11 ARG B 22 9.891 1.088 -23.293 1.00 25.00 H new ATOM 0 HH12 ARG B 22 10.481 2.731 -23.567 1.00 25.00 H new ATOM 0 HH21 ARG B 22 13.620 2.129 -22.071 1.00 25.00 H new ATOM 0 HH22 ARG B 22 12.586 3.315 -22.876 1.00 25.00 H new ATOM 660 N GLY B 23 11.326 -4.926 -18.091 1.00 25.00 N ATOM 661 CA GLY B 23 11.142 -5.283 -16.707 1.00 25.00 C ATOM 662 C GLY B 23 10.448 -4.217 -15.859 1.00 25.00 C ATOM 663 O GLY B 23 10.092 -3.131 -16.360 1.00 25.00 O ATOM 0 H GLY B 23 10.731 -5.428 -18.750 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.560 -6.203 -16.658 1.00 25.00 H new ATOM 0 HA3 GLY B 23 12.116 -5.499 -16.269 1.00 25.00 H new ATOM 667 N PHE B 24 10.258 -4.551 -14.603 1.00 25.00 N ATOM 668 CA PHE B 24 9.606 -3.685 -13.601 1.00 25.00 C ATOM 669 C PHE B 24 10.159 -4.096 -12.239 1.00 25.00 C ATOM 670 O PHE B 24 10.748 -5.164 -12.105 1.00 25.00 O ATOM 671 CB PHE B 24 8.061 -3.853 -13.648 1.00 25.00 C ATOM 672 CG PHE B 24 7.607 -5.269 -13.454 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.407 -5.770 -12.155 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.366 -6.109 -14.551 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.953 -7.098 -11.940 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.927 -7.426 -14.369 1.00 25.00 C ATOM 677 CZ PHE B 24 6.708 -7.929 -13.043 1.00 25.00 C ATOM 0 H PHE B 24 10.553 -5.450 -14.223 1.00 25.00 H new ATOM 0 HA PHE B 24 9.813 -2.634 -13.801 1.00 25.00 H new ATOM 0 HB2 PHE B 24 7.612 -3.227 -12.877 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.693 -3.490 -14.608 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.602 -5.133 -11.305 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.521 -5.734 -15.552 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.798 -7.465 -10.936 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.754 -8.062 -15.225 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.357 -8.940 -12.895 1.00 25.00 H new ATOM 687 N PHE B 25 9.968 -3.255 -11.226 1.00 25.00 N ATOM 688 CA PHE B 25 10.500 -3.539 -9.897 1.00 25.00 C ATOM 689 C PHE B 25 9.438 -3.890 -8.849 1.00 25.00 C ATOM 690 O PHE B 25 8.648 -3.060 -8.418 1.00 25.00 O ATOM 691 CB PHE B 25 11.321 -2.311 -9.429 1.00 25.00 C ATOM 692 CG PHE B 25 12.022 -2.536 -8.130 1.00 25.00 C ATOM 693 CD1 PHE B 25 13.204 -3.333 -8.061 1.00 25.00 C ATOM 694 CD2 PHE B 25 11.550 -1.920 -6.943 1.00 25.00 C ATOM 695 CE1 PHE B 25 13.849 -3.509 -6.842 1.00 25.00 C ATOM 696 CE2 PHE B 25 12.206 -2.118 -5.705 1.00 25.00 C ATOM 697 CZ PHE B 25 13.340 -2.919 -5.656 1.00 25.00 C ATOM 0 H PHE B 25 9.453 -2.378 -11.299 1.00 25.00 H new ATOM 0 HA PHE B 25 11.121 -4.431 -9.985 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.057 -2.060 -10.193 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.656 -1.452 -9.333 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.596 -3.798 -8.953 1.00 25.00 H new ATOM 0 HD2 PHE B 25 10.675 -1.289 -6.985 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.750 -4.103 -6.797 1.00 25.00 H new ATOM 0 HE2 PHE B 25 11.829 -1.651 -4.807 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.836 -3.093 -4.712 1.00 25.00 H new HETATM 707 N NVA B 26 9.406 -5.194 -8.464 1.00 25.00 N HETATM 708 CA NVA B 26 8.462 -5.823 -7.451 1.00 25.00 C HETATM 709 CB NVA B 26 7.772 -7.096 -8.051 1.00 25.00 C HETATM 710 CG NVA B 26 8.708 -8.105 -8.857 1.00 25.00 C HETATM 711 CD NVA B 26 10.064 -8.547 -8.168 1.00 25.00 C HETATM 712 C NVA B 26 9.101 -6.095 -6.048 1.00 25.00 C HETATM 713 O NVA B 26 8.616 -6.935 -5.291 1.00 25.00 O HETATM 0 HG3 NVA B 26 8.130 -9.004 -9.070 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.951 -7.647 -9.816 1.00 25.00 H new HETATM 0 HD3 NVA B 26 10.680 -7.668 -7.980 1.00 25.00 H new HETATM 0 HD1 NVA B 26 10.600 -9.232 -8.825 1.00 25.00 H new HETATM 0 HB3 NVA B 26 7.303 -7.645 -7.235 1.00 25.00 H new HETATM 0 HB2 NVA B 26 6.973 -6.768 -8.716 1.00 25.00 H new HETATM 0 HA NVA B 26 7.694 -5.076 -7.252 1.00 25.00 H new ATOM 722 N THR B 27 10.142 -5.257 -5.723 1.00 25.00 N ATOM 723 CA THR B 27 10.952 -5.315 -4.483 1.00 25.00 C ATOM 724 C THR B 27 11.828 -6.602 -4.495 1.00 25.00 C ATOM 725 O THR B 27 11.680 -7.432 -5.378 1.00 25.00 O ATOM 726 CB THR B 27 10.090 -5.206 -3.154 1.00 25.00 C ATOM 727 OG1 THR B 27 9.349 -6.410 -2.898 1.00 25.00 O ATOM 728 CG2 THR B 27 9.119 -4.030 -3.241 1.00 25.00 C ATOM 0 H THR B 27 10.438 -4.505 -6.345 1.00 25.00 H new ATOM 0 HA THR B 27 11.596 -4.436 -4.474 1.00 25.00 H new ATOM 0 HB THR B 27 10.789 -5.049 -2.332 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.287 -6.937 -3.722 1.00 25.00 H new ATOM 0 HG21 THR B 27 8.536 -3.970 -2.322 1.00 25.00 H new ATOM 0 HG22 THR B 27 9.679 -3.105 -3.376 1.00 25.00 H new ATOM 0 HG23 THR B 27 8.447 -4.174 -4.087 1.00 25.00 H new ATOM 736 N PRO B 28 12.808 -6.739 -3.555 1.00 25.00 N ATOM 737 CA PRO B 28 13.543 -8.013 -3.677 1.00 25.00 C ATOM 738 C PRO B 28 12.784 -9.217 -3.185 1.00 25.00 C ATOM 739 O PRO B 28 12.190 -9.244 -2.126 1.00 25.00 O ATOM 740 CB PRO B 28 14.789 -7.755 -2.843 1.00 25.00 C ATOM 741 CG PRO B 28 14.310 -6.880 -1.773 1.00 25.00 C ATOM 742 CD PRO B 28 13.343 -5.924 -2.436 1.00 25.00 C ATOM 0 HA PRO B 28 13.742 -8.267 -4.718 1.00 25.00 H new ATOM 0 HB2 PRO B 28 15.206 -8.681 -2.447 1.00 25.00 H new ATOM 0 HB3 PRO B 28 15.573 -7.278 -3.431 1.00 25.00 H new ATOM 0 HG2 PRO B 28 13.818 -7.454 -0.987 1.00 25.00 H new ATOM 0 HG3 PRO B 28 15.135 -6.343 -1.306 1.00 25.00 H new ATOM 0 HD2 PRO B 28 12.556 -5.604 -1.754 1.00 25.00 H new ATOM 0 HD3 PRO B 28 13.842 -5.023 -2.792 1.00 25.00 H new HETATM 750 N HIX B 29 12.791 -10.261 -4.013 1.00 25.00 N HETATM 751 CA HIX B 29 12.107 -11.548 -3.793 1.00 25.00 C HETATM 752 C HIX B 29 12.882 -12.508 -2.883 1.00 25.00 C HETATM 753 O HIX B 29 13.746 -13.293 -3.281 1.00 25.00 O HETATM 754 CB HIX B 29 11.758 -12.220 -5.161 1.00 25.00 C HETATM 755 CG HIX B 29 10.884 -11.328 -5.991 1.00 25.00 C HETATM 756 CD2 HIX B 29 11.294 -10.227 -6.669 1.00 25.00 C HETATM 757 ND1 HIX B 29 9.536 -11.435 -6.182 1.00 25.00 N HETATM 758 NE1 HIX B 29 8.981 -10.450 -7.000 1.00 25.00 N HETATM 759 NE2 HIX B 29 10.173 -9.737 -7.262 1.00 25.00 N ATOM 766 N THR B 30 12.587 -12.392 -1.591 1.00 25.00 N ATOM 767 CA THR B 30 13.171 -13.147 -0.480 1.00 25.00 C ATOM 768 C THR B 30 12.170 -13.385 0.629 1.00 25.00 C ATOM 769 O THR B 30 12.098 -14.430 1.230 1.00 25.00 O ATOM 770 CB THR B 30 14.513 -12.502 0.053 1.00 25.00 C ATOM 771 OG1 THR B 30 14.535 -11.129 -0.275 1.00 25.00 O ATOM 772 CG2 THR B 30 15.745 -13.137 -0.590 1.00 25.00 C ATOM 773 OXT THR B 30 11.411 -12.385 0.957 1.00 25.00 O ATOM 0 H THR B 30 11.887 -11.724 -1.268 1.00 25.00 H new ATOM 0 HA THR B 30 13.441 -14.125 -0.878 1.00 25.00 H new ATOM 0 HB THR B 30 14.542 -12.664 1.130 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.365 -10.727 0.056 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.645 -12.665 -0.196 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.765 -14.203 -0.363 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.705 -12.997 -1.670 1.00 25.00 H new TER 782 THR B 30