USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 340 hydrogens (28 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: A 17 DPR H : A 17 DPR N : A 16 THR C :(H bumps) USER MOD NoAdj-H: A 27 DPR H : A 27 DPR N : A 26 LEU C :(H bumps) USER MOD NoAdj-H: B 17 DPR H : B 17 DPR N : B 16 THR C :(H bumps) USER MOD NoAdj-H: B 27 DPR H : B 27 DPR N : B 26 LEU C :(H bumps) USER MOD Set 1.1: B 16 THR OG1 : rot -90:sc= -0.0248 USER MOD Set 1.2: B 21 LYS NZ :NH3+ -116:sc= 0.529 (180deg=-0.23) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.3) USER MOD Set 2.2: A 20 GLN : amide:sc= 0 X(o=-0.35,f=-0.3) USER MOD Single : A 12 THR OG1 : rot 38:sc= 0.0854 USER MOD Single : A 16 THR OG1 : rot 58:sc= 0.236 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= -7.78! (180deg=-8.53!) USER MOD Single : A 23 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.28) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot -38:sc= 0.15 USER MOD Single : B 15 ASN : amide:sc=-0.00141 X(o=-0.0014,f=0) USER MOD Single : B 20 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.4!) USER MOD Single : B 23 HIS : no HD1:sc= -1.65 X(o=-1.6,f=-1.7) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 18.275 -3.551 -18.701 1.00 0.00 N ATOM 2 CA THR A 12 19.243 -2.794 -19.475 1.00 0.00 C ATOM 3 C THR A 12 18.822 -1.326 -19.567 1.00 0.00 C ATOM 4 O THR A 12 17.654 -1.026 -19.807 1.00 0.00 O ATOM 5 CB THR A 12 19.391 -3.470 -20.839 1.00 0.00 C ATOM 6 OG1 THR A 12 20.059 -4.696 -20.549 1.00 0.00 O ATOM 7 CG2 THR A 12 20.360 -2.727 -21.760 1.00 0.00 C ATOM 0 HA THR A 12 20.220 -2.790 -18.991 1.00 0.00 H new ATOM 0 HB THR A 12 18.414 -3.536 -21.318 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.719 -5.062 -19.706 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.428 -3.249 -22.714 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.998 -1.712 -21.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.346 -2.689 -21.296 1.00 0.00 H new ATOM 15 N ALA A 13 19.797 -0.450 -19.372 1.00 0.00 N ATOM 16 CA ALA A 13 19.541 0.979 -19.430 1.00 0.00 C ATOM 17 C ALA A 13 20.760 1.687 -20.025 1.00 0.00 C ATOM 18 O ALA A 13 21.897 1.367 -19.682 1.00 0.00 O ATOM 19 CB ALA A 13 19.193 1.493 -18.031 1.00 0.00 C ATOM 0 H ALA A 13 20.765 -0.702 -19.174 1.00 0.00 H new ATOM 0 HA ALA A 13 18.689 1.190 -20.076 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.001 2.565 -18.075 1.00 0.00 H new ATOM 0 HB2 ALA A 13 18.304 0.980 -17.666 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.026 1.301 -17.355 1.00 0.00 H new ATOM 25 N LEU A 14 20.482 2.636 -20.906 1.00 0.00 N ATOM 26 CA LEU A 14 21.541 3.391 -21.553 1.00 0.00 C ATOM 27 C LEU A 14 21.026 4.789 -21.902 1.00 0.00 C ATOM 28 O LEU A 14 20.618 5.038 -23.036 1.00 0.00 O ATOM 29 CB LEU A 14 22.094 2.621 -22.754 1.00 0.00 C ATOM 30 CG LEU A 14 21.080 2.254 -23.838 1.00 0.00 C ATOM 31 CD1 LEU A 14 21.228 3.166 -25.059 1.00 0.00 C ATOM 32 CD2 LEU A 14 21.187 0.775 -24.212 1.00 0.00 C ATOM 0 H LEU A 14 19.538 2.900 -21.187 1.00 0.00 H new ATOM 0 HA LEU A 14 22.383 3.522 -20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.884 3.217 -23.210 1.00 0.00 H new ATOM 0 HB3 LEU A 14 22.556 1.703 -22.391 1.00 0.00 H new ATOM 0 HG LEU A 14 20.079 2.413 -23.436 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.495 2.884 -25.815 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.062 4.202 -24.762 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.232 3.063 -25.471 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.455 0.541 -24.985 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.189 0.566 -24.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.994 0.162 -23.332 1.00 0.00 H new ATOM 43 N ASN A 15 21.059 5.663 -20.908 1.00 0.00 N ATOM 44 CA ASN A 15 20.599 7.029 -21.097 1.00 0.00 C ATOM 45 C ASN A 15 21.249 7.612 -22.354 1.00 0.00 C ATOM 46 O ASN A 15 22.470 7.578 -22.499 1.00 0.00 O ATOM 47 CB ASN A 15 20.991 7.912 -19.910 1.00 0.00 C ATOM 48 CG ASN A 15 19.796 8.147 -18.984 1.00 0.00 C ATOM 49 OD1 ASN A 15 19.744 7.672 -17.862 1.00 0.00 O ATOM 50 ND2 ASN A 15 18.841 8.905 -19.516 1.00 0.00 N ATOM 0 H ASN A 15 21.397 5.453 -19.969 1.00 0.00 H new ATOM 0 HA ASN A 15 19.513 7.009 -21.189 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.800 7.440 -19.353 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.369 8.868 -20.272 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.002 9.120 -18.978 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.948 9.271 -20.462 1.00 0.00 H new ATOM 56 N THR A 16 20.403 8.133 -23.231 1.00 0.00 N ATOM 57 CA THR A 16 20.880 8.722 -24.471 1.00 0.00 C ATOM 58 C THR A 16 20.413 10.175 -24.585 1.00 0.00 C ATOM 59 O THR A 16 19.370 10.451 -25.176 1.00 0.00 O ATOM 60 CB THR A 16 20.405 7.839 -25.626 1.00 0.00 C ATOM 61 OG1 THR A 16 21.178 6.649 -25.493 1.00 0.00 O ATOM 62 CG2 THR A 16 20.812 8.396 -26.993 1.00 0.00 C ATOM 0 H THR A 16 19.391 8.159 -23.108 1.00 0.00 H new ATOM 0 HA THR A 16 21.969 8.760 -24.498 1.00 0.00 H new ATOM 0 HB THR A 16 19.321 7.736 -25.583 1.00 0.00 H new ATOM 0 HG1 THR A 16 21.025 6.257 -24.608 1.00 0.00 H new ATOM 0 HG21 THR A 16 20.451 7.732 -27.779 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.377 9.387 -27.126 1.00 0.00 H new ATOM 0 HG23 THR A 16 21.898 8.466 -27.048 1.00 0.00 H new HETATM 70 N DPR A 17 21.228 11.088 -23.993 1.00 0.00 N HETATM 71 CA DPR A 17 20.909 12.506 -24.022 1.00 0.00 C HETATM 72 CB DPR A 17 22.212 13.209 -23.678 1.00 0.00 C HETATM 73 CG DPR A 17 23.090 12.160 -23.016 1.00 0.00 C HETATM 74 CD DPR A 17 22.470 10.798 -23.283 1.00 0.00 C HETATM 75 C DPR A 17 19.777 12.833 -23.047 1.00 0.00 C HETATM 76 O DPR A 17 19.925 12.660 -21.838 1.00 0.00 O HETATM 0 HG3 DPR A 17 24.103 12.203 -23.415 1.00 0.00 H new HETATM 0 HG2 DPR A 17 23.162 12.343 -21.944 1.00 0.00 H new HETATM 0 HD3 DPR A 17 22.279 10.261 -22.354 1.00 0.00 H new HETATM 0 HD2 DPR A 17 23.132 10.172 -23.882 1.00 0.00 H new HETATM 0 HB3 DPR A 17 22.688 13.608 -24.573 1.00 0.00 H new HETATM 0 HB2 DPR A 17 22.037 14.051 -23.008 1.00 0.00 H new HETATM 0 HA DPR A 17 20.539 12.835 -24.993 1.00 0.00 H new ATOM 84 N ALA A 18 18.672 13.301 -23.608 1.00 0.00 N ATOM 85 CA ALA A 18 17.514 13.655 -22.804 1.00 0.00 C ATOM 86 C ALA A 18 16.443 12.574 -22.958 1.00 0.00 C ATOM 87 O ALA A 18 15.250 12.865 -22.890 1.00 0.00 O ATOM 88 CB ALA A 18 17.011 15.039 -23.215 1.00 0.00 C ATOM 0 H ALA A 18 18.554 13.444 -24.611 1.00 0.00 H new ATOM 0 HA ALA A 18 17.780 13.707 -21.748 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.143 15.304 -22.612 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.800 15.774 -23.058 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.731 15.026 -24.268 1.00 0.00 H new ATOM 94 N VAL A 19 16.907 11.350 -23.161 1.00 0.00 N ATOM 95 CA VAL A 19 16.002 10.224 -23.324 1.00 0.00 C ATOM 96 C VAL A 19 16.211 9.236 -22.175 1.00 0.00 C ATOM 97 O VAL A 19 17.344 8.878 -21.859 1.00 0.00 O ATOM 98 CB VAL A 19 16.201 9.589 -24.703 1.00 0.00 C ATOM 99 CG1 VAL A 19 15.380 8.305 -24.837 1.00 0.00 C ATOM 100 CG2 VAL A 19 15.859 10.580 -25.817 1.00 0.00 C ATOM 0 H VAL A 19 17.897 11.113 -23.216 1.00 0.00 H new ATOM 0 HA VAL A 19 14.965 10.558 -23.280 1.00 0.00 H new ATOM 0 HB VAL A 19 17.254 9.325 -24.803 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.539 7.873 -25.825 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.693 7.592 -24.075 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.322 8.534 -24.707 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.009 10.104 -26.786 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.818 10.890 -25.722 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.506 11.454 -25.738 1.00 0.00 H new ATOM 110 N GLN A 20 15.100 8.825 -21.582 1.00 0.00 N ATOM 111 CA GLN A 20 15.147 7.886 -20.474 1.00 0.00 C ATOM 112 C GLN A 20 14.588 6.528 -20.906 1.00 0.00 C ATOM 113 O GLN A 20 13.585 6.463 -21.614 1.00 0.00 O ATOM 114 CB GLN A 20 14.391 8.430 -19.261 1.00 0.00 C ATOM 115 CG GLN A 20 15.185 8.202 -17.973 1.00 0.00 C ATOM 116 CD GLN A 20 15.372 9.512 -17.205 1.00 0.00 C ATOM 117 OE1 GLN A 20 16.358 10.214 -17.356 1.00 0.00 O ATOM 118 NE2 GLN A 20 14.373 9.802 -16.376 1.00 0.00 N ATOM 0 H GLN A 20 14.162 9.125 -21.848 1.00 0.00 H new ATOM 0 HA GLN A 20 16.188 7.752 -20.180 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.203 9.496 -19.393 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.419 7.942 -19.185 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.665 7.479 -17.344 1.00 0.00 H new ATOM 0 HG3 GLN A 20 16.159 7.775 -18.213 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.576 9.170 -16.297 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.404 10.656 -15.819 1.00 0.00 H new ATOM 125 N LYS A 21 15.262 5.477 -20.459 1.00 0.00 N ATOM 126 CA LYS A 21 14.844 4.126 -20.790 1.00 0.00 C ATOM 127 C LYS A 21 14.863 3.267 -19.524 1.00 0.00 C ATOM 128 O LYS A 21 15.151 3.764 -18.436 1.00 0.00 O ATOM 129 CB LYS A 21 15.701 3.564 -21.927 1.00 0.00 C ATOM 130 CG LYS A 21 17.136 3.315 -21.460 1.00 0.00 C ATOM 131 CD LYS A 21 17.895 4.633 -21.289 1.00 0.00 C ATOM 132 CE LYS A 21 18.436 4.773 -19.866 1.00 0.00 C ATOM 133 NZ LYS A 21 17.326 4.787 -18.887 1.00 0.00 N ATOM 0 H LYS A 21 16.094 5.535 -19.871 1.00 0.00 H new ATOM 0 HA LYS A 21 13.820 4.124 -21.162 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.266 2.633 -22.289 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.703 4.262 -22.765 1.00 0.00 H new ATOM 0 HG2 LYS A 21 17.125 2.772 -20.515 1.00 0.00 H new ATOM 0 HG3 LYS A 21 17.653 2.685 -22.183 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.719 4.677 -22.001 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.234 5.470 -21.514 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.113 3.947 -19.645 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.016 5.692 -19.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.700 5.001 -17.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.633 5.514 -19.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.863 3.856 -18.874 1.00 0.00 H new ATOM 142 N TRP A 22 14.552 1.992 -19.708 1.00 0.00 N ATOM 143 CA TRP A 22 14.530 1.059 -18.594 1.00 0.00 C ATOM 144 C TRP A 22 13.846 -0.225 -19.066 1.00 0.00 C ATOM 145 O TRP A 22 12.768 -0.179 -19.657 1.00 0.00 O ATOM 146 CB TRP A 22 13.851 1.681 -17.372 1.00 0.00 C ATOM 147 CG TRP A 22 13.298 0.658 -16.378 1.00 0.00 C ATOM 148 CD1 TRP A 22 12.088 0.081 -16.376 1.00 0.00 C ATOM 149 CD2 TRP A 22 13.987 0.110 -15.235 1.00 0.00 C ATOM 150 NE1 TRP A 22 11.948 -0.795 -15.319 1.00 0.00 N ATOM 151 CE2 TRP A 22 13.139 -0.778 -14.603 1.00 0.00 C ATOM 152 CE3 TRP A 22 15.284 0.354 -14.751 1.00 0.00 C ATOM 153 CZ2 TRP A 22 13.496 -1.490 -13.451 1.00 0.00 C ATOM 154 CZ3 TRP A 22 15.625 -0.365 -13.599 1.00 0.00 C ATOM 155 CH2 TRP A 22 14.783 -1.261 -12.951 1.00 0.00 C ATOM 0 H TRP A 22 14.313 1.583 -20.612 1.00 0.00 H new ATOM 0 HA TRP A 22 15.544 0.817 -18.274 1.00 0.00 H new ATOM 0 HB2 TRP A 22 14.568 2.321 -16.858 1.00 0.00 H new ATOM 0 HB3 TRP A 22 13.036 2.322 -17.709 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.320 0.277 -17.109 1.00 0.00 H new ATOM 0 HE1 TRP A 22 11.122 -1.353 -15.103 1.00 0.00 H new ATOM 0 HE3 TRP A 22 15.964 1.042 -15.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.815 -2.179 -12.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 16.611 -0.213 -13.185 1.00 0.00 H new ATOM 0 HH2 TRP A 22 15.120 -1.778 -12.065 1.00 0.00 H new ATOM 165 N HIS A 23 14.502 -1.343 -18.790 1.00 0.00 N ATOM 166 CA HIS A 23 13.972 -2.638 -19.180 1.00 0.00 C ATOM 167 C HIS A 23 13.924 -3.562 -17.960 1.00 0.00 C ATOM 168 O HIS A 23 14.965 -3.943 -17.426 1.00 0.00 O ATOM 169 CB HIS A 23 14.776 -3.228 -20.339 1.00 0.00 C ATOM 170 CG HIS A 23 13.926 -3.802 -21.448 1.00 0.00 C ATOM 171 ND1 HIS A 23 14.426 -4.667 -22.405 1.00 0.00 N ATOM 172 CD2 HIS A 23 12.606 -3.625 -21.740 1.00 0.00 C ATOM 173 CE1 HIS A 23 13.442 -4.990 -23.232 1.00 0.00 C ATOM 174 NE2 HIS A 23 12.315 -4.341 -22.819 1.00 0.00 N ATOM 0 H HIS A 23 15.396 -1.378 -18.301 1.00 0.00 H new ATOM 0 HA HIS A 23 12.951 -2.522 -19.545 1.00 0.00 H new ATOM 0 HB2 HIS A 23 15.420 -2.452 -20.753 1.00 0.00 H new ATOM 0 HB3 HIS A 23 15.429 -4.011 -19.953 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.914 -3.007 -21.187 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.519 -5.651 -24.083 1.00 0.00 H new ATOM 0 HE2 HIS A 23 11.400 -4.397 -23.266 1.00 0.00 H new ATOM 181 N PHE A 24 12.707 -3.894 -17.556 1.00 0.00 N ATOM 182 CA PHE A 24 12.511 -4.765 -16.410 1.00 0.00 C ATOM 183 C PHE A 24 11.493 -5.864 -16.725 1.00 0.00 C ATOM 184 O PHE A 24 10.287 -5.642 -16.633 1.00 0.00 O ATOM 185 CB PHE A 24 11.969 -3.895 -15.273 1.00 0.00 C ATOM 186 CG PHE A 24 11.738 -4.653 -13.966 1.00 0.00 C ATOM 187 CD1 PHE A 24 12.753 -4.797 -13.073 1.00 0.00 C ATOM 188 CD2 PHE A 24 10.515 -5.183 -13.695 1.00 0.00 C ATOM 189 CE1 PHE A 24 12.538 -5.501 -11.859 1.00 0.00 C ATOM 190 CE2 PHE A 24 10.299 -5.888 -12.480 1.00 0.00 C ATOM 191 CZ PHE A 24 11.315 -6.031 -11.589 1.00 0.00 C ATOM 0 H PHE A 24 11.847 -3.575 -18.002 1.00 0.00 H new ATOM 0 HA PHE A 24 13.453 -5.244 -16.142 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.668 -3.079 -15.089 1.00 0.00 H new ATOM 0 HB3 PHE A 24 11.029 -3.444 -15.591 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.724 -4.375 -13.287 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.708 -5.068 -14.403 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.345 -5.616 -11.150 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.328 -6.310 -12.265 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.151 -6.566 -10.665 1.00 0.00 H new ATOM 200 N VAL A 25 12.017 -7.025 -17.089 1.00 0.00 N ATOM 201 CA VAL A 25 11.170 -8.158 -17.417 1.00 0.00 C ATOM 202 C VAL A 25 11.152 -9.134 -16.239 1.00 0.00 C ATOM 203 O VAL A 25 12.200 -9.623 -15.817 1.00 0.00 O ATOM 204 CB VAL A 25 11.642 -8.803 -18.722 1.00 0.00 C ATOM 205 CG1 VAL A 25 11.545 -7.817 -19.887 1.00 0.00 C ATOM 206 CG2 VAL A 25 13.063 -9.348 -18.581 1.00 0.00 C ATOM 0 H VAL A 25 13.018 -7.205 -17.164 1.00 0.00 H new ATOM 0 HA VAL A 25 10.143 -7.832 -17.584 1.00 0.00 H new ATOM 0 HB VAL A 25 10.982 -9.643 -18.939 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.886 -8.301 -20.802 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.510 -7.499 -20.009 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.170 -6.948 -19.681 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.374 -9.801 -19.522 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.742 -8.533 -18.329 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.088 -10.099 -17.791 1.00 0.00 H new ATOM 216 N LEU A 26 9.951 -9.390 -15.741 1.00 0.00 N ATOM 217 CA LEU A 26 9.784 -10.300 -14.620 1.00 0.00 C ATOM 218 C LEU A 26 8.766 -11.379 -14.993 1.00 0.00 C ATOM 219 O LEU A 26 7.727 -11.508 -14.346 1.00 0.00 O ATOM 220 CB LEU A 26 9.423 -9.525 -13.352 1.00 0.00 C ATOM 221 CG LEU A 26 10.471 -9.536 -12.237 1.00 0.00 C ATOM 222 CD1 LEU A 26 10.735 -10.961 -11.747 1.00 0.00 C ATOM 223 CD2 LEU A 26 11.757 -8.838 -12.687 1.00 0.00 C ATOM 0 H LEU A 26 9.084 -8.983 -16.093 1.00 0.00 H new ATOM 0 HA LEU A 26 10.722 -10.810 -14.398 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.225 -8.489 -13.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.494 -9.932 -12.954 1.00 0.00 H new ATOM 0 HG LEU A 26 10.076 -8.972 -11.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.483 -10.941 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.810 -11.390 -11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.100 -11.569 -12.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.485 -8.860 -11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.166 -9.353 -13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.537 -7.803 -12.949 1.00 0.00 H new HETATM 234 N DPR A 27 9.108 -12.147 -16.062 1.00 0.00 N HETATM 235 CA DPR A 27 8.235 -13.211 -16.529 1.00 0.00 C HETATM 236 CB DPR A 27 9.118 -14.089 -17.401 1.00 0.00 C HETATM 237 CG DPR A 27 10.321 -13.237 -17.767 1.00 0.00 C HETATM 238 CD DPR A 27 10.328 -12.023 -16.852 1.00 0.00 C HETATM 239 C DPR A 27 7.028 -12.643 -17.278 1.00 0.00 C HETATM 240 O DPR A 27 7.184 -12.013 -18.324 1.00 0.00 O HETATM 0 HG3 DPR A 27 11.242 -13.808 -17.651 1.00 0.00 H new HETATM 0 HG2 DPR A 27 10.267 -12.928 -18.811 1.00 0.00 H new HETATM 0 HD3 DPR A 27 10.336 -11.096 -17.425 1.00 0.00 H new HETATM 0 HD2 DPR A 27 11.213 -12.012 -16.215 1.00 0.00 H new HETATM 0 HB3 DPR A 27 9.424 -14.988 -16.866 1.00 0.00 H new HETATM 0 HB2 DPR A 27 8.584 -14.415 -18.294 1.00 0.00 H new HETATM 0 HA DPR A 27 7.803 -13.790 -15.713 1.00 0.00 H new ATOM 248 N GLY A 28 5.855 -12.885 -16.715 1.00 0.00 N ATOM 249 CA GLY A 28 4.623 -12.404 -17.317 1.00 0.00 C ATOM 250 C GLY A 28 4.412 -10.918 -17.024 1.00 0.00 C ATOM 251 O GLY A 28 3.573 -10.270 -17.650 1.00 0.00 O ATOM 0 H GLY A 28 5.731 -13.408 -15.848 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.654 -12.565 -18.395 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.779 -12.977 -16.933 1.00 0.00 H new ATOM 255 N TYR A 29 5.188 -10.419 -16.073 1.00 0.00 N ATOM 256 CA TYR A 29 5.097 -9.020 -15.689 1.00 0.00 C ATOM 257 C TYR A 29 6.167 -8.187 -16.396 1.00 0.00 C ATOM 258 O TYR A 29 7.303 -8.102 -15.930 1.00 0.00 O ATOM 259 CB TYR A 29 5.350 -8.979 -14.181 1.00 0.00 C ATOM 260 CG TYR A 29 4.253 -8.271 -13.384 1.00 0.00 C ATOM 261 CD1 TYR A 29 3.058 -8.914 -13.134 1.00 0.00 C ATOM 262 CD2 TYR A 29 4.458 -6.990 -12.916 1.00 0.00 C ATOM 263 CE1 TYR A 29 2.024 -8.247 -12.385 1.00 0.00 C ATOM 264 CE2 TYR A 29 3.425 -6.323 -12.166 1.00 0.00 C ATOM 265 CZ TYR A 29 2.259 -6.984 -11.938 1.00 0.00 C ATOM 266 OH TYR A 29 1.284 -6.354 -11.230 1.00 0.00 O ATOM 0 H TYR A 29 5.883 -10.958 -15.557 1.00 0.00 H new ATOM 0 HA TYR A 29 4.124 -8.610 -15.961 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.451 -10.000 -13.812 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.300 -8.478 -13.996 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.898 -9.917 -13.500 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.393 -6.487 -13.112 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.084 -8.738 -12.183 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.573 -5.320 -11.793 1.00 0.00 H new ATOM 0 HH TYR A 29 1.591 -5.459 -10.975 1.00 0.00 H new ATOM 275 N LYS A 30 5.769 -7.592 -17.511 1.00 0.00 N ATOM 276 CA LYS A 30 6.679 -6.769 -18.288 1.00 0.00 C ATOM 277 C LYS A 30 6.318 -5.294 -18.094 1.00 0.00 C ATOM 278 O LYS A 30 5.167 -4.904 -18.280 1.00 0.00 O ATOM 279 CB LYS A 30 6.687 -7.213 -19.752 1.00 0.00 C ATOM 280 CG LYS A 30 7.603 -6.319 -20.591 1.00 0.00 C ATOM 281 CD LYS A 30 7.016 -6.087 -21.984 1.00 0.00 C ATOM 282 CE LYS A 30 7.141 -7.344 -22.848 1.00 0.00 C ATOM 283 NZ LYS A 30 7.962 -7.069 -24.048 1.00 0.00 N ATOM 0 H LYS A 30 4.827 -7.664 -17.895 1.00 0.00 H new ATOM 0 HA LYS A 30 7.703 -6.896 -17.935 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.021 -8.248 -19.820 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.674 -7.179 -20.152 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.744 -5.362 -20.088 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.586 -6.781 -20.679 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.967 -5.803 -21.898 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.532 -5.257 -22.466 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.593 -8.148 -22.267 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.151 -7.686 -23.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.037 -7.932 -24.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.515 -6.317 -24.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.913 -6.764 -23.756 1.00 0.00 H new ATOM 292 N CYS A 31 7.324 -4.516 -17.722 1.00 0.00 N ATOM 293 CA CYS A 31 7.127 -3.093 -17.501 1.00 0.00 C ATOM 294 C CYS A 31 8.304 -2.342 -18.125 1.00 0.00 C ATOM 295 O CYS A 31 9.453 -2.550 -17.738 1.00 0.00 O ATOM 296 CB CYS A 31 6.966 -2.769 -16.014 1.00 0.00 C ATOM 297 SG CYS A 31 5.959 -1.283 -15.657 1.00 0.00 S ATOM 0 H CYS A 31 8.278 -4.844 -17.568 1.00 0.00 H new ATOM 0 HA CYS A 31 6.200 -2.773 -17.978 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.512 -3.626 -15.517 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.955 -2.634 -15.577 1.00 0.00 H new ATOM 301 N GLU A 32 7.978 -1.485 -19.082 1.00 0.00 N ATOM 302 CA GLU A 32 8.995 -0.702 -19.763 1.00 0.00 C ATOM 303 C GLU A 32 8.614 0.779 -19.759 1.00 0.00 C ATOM 304 O GLU A 32 7.521 1.144 -20.189 1.00 0.00 O ATOM 305 CB GLU A 32 9.211 -1.209 -21.191 1.00 0.00 C ATOM 306 CG GLU A 32 7.981 -0.943 -22.059 1.00 0.00 C ATOM 307 CD GLU A 32 7.811 -2.033 -23.120 1.00 0.00 C ATOM 308 OE1 GLU A 32 7.141 -3.045 -22.867 1.00 0.00 O ATOM 309 OE2 GLU A 32 8.406 -1.800 -24.241 1.00 0.00 O ATOM 0 H GLU A 32 7.024 -1.316 -19.402 1.00 0.00 H new ATOM 0 HA GLU A 32 9.936 -0.817 -19.225 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.081 -0.718 -21.627 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.423 -2.278 -21.173 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.091 -0.900 -21.431 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.077 0.029 -22.543 1.00 0.00 H new ATOM 315 N ILE A 33 9.538 1.593 -19.270 1.00 0.00 N ATOM 316 CA ILE A 33 9.314 3.028 -19.205 1.00 0.00 C ATOM 317 C ILE A 33 10.034 3.706 -20.372 1.00 0.00 C ATOM 318 O ILE A 33 11.250 3.586 -20.510 1.00 0.00 O ATOM 319 CB ILE A 33 9.719 3.571 -17.833 1.00 0.00 C ATOM 320 CG1 ILE A 33 9.335 2.594 -16.721 1.00 0.00 C ATOM 321 CG2 ILE A 33 9.132 4.964 -17.600 1.00 0.00 C ATOM 322 CD1 ILE A 33 7.816 2.513 -16.560 1.00 0.00 C ATOM 0 H ILE A 33 10.444 1.286 -18.915 1.00 0.00 H new ATOM 0 HA ILE A 33 8.253 3.253 -19.311 1.00 0.00 H new ATOM 0 HB ILE A 33 10.804 3.671 -17.812 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.733 1.605 -16.948 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.787 2.912 -15.781 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.435 5.327 -16.618 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.498 5.646 -18.368 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.044 4.913 -17.648 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.572 1.811 -15.763 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.424 3.498 -16.309 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.369 2.172 -17.494 1.00 0.00 H new ATOM 333 N LEU A 34 9.251 4.403 -21.183 1.00 0.00 N ATOM 334 CA LEU A 34 9.799 5.100 -22.334 1.00 0.00 C ATOM 335 C LEU A 34 9.571 6.605 -22.170 1.00 0.00 C ATOM 336 O LEU A 34 8.638 7.023 -21.485 1.00 0.00 O ATOM 337 CB LEU A 34 9.222 4.529 -23.631 1.00 0.00 C ATOM 338 CG LEU A 34 10.212 4.349 -24.783 1.00 0.00 C ATOM 339 CD1 LEU A 34 10.157 2.923 -25.336 1.00 0.00 C ATOM 340 CD2 LEU A 34 9.980 5.396 -25.874 1.00 0.00 C ATOM 0 H LEU A 34 8.242 4.500 -21.066 1.00 0.00 H new ATOM 0 HA LEU A 34 10.876 4.945 -22.396 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.772 3.561 -23.410 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.419 5.184 -23.968 1.00 0.00 H new ATOM 0 HG LEU A 34 11.219 4.505 -24.395 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.870 2.822 -26.154 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.409 2.216 -24.545 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.152 2.714 -25.703 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.697 5.246 -26.681 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.967 5.296 -26.265 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.110 6.394 -25.454 1.00 0.00 H new ATOM 351 N ALA A 35 10.438 7.375 -22.809 1.00 0.00 N ATOM 352 CA ALA A 35 10.342 8.824 -22.743 1.00 0.00 C ATOM 353 C ALA A 35 9.716 9.350 -24.037 1.00 0.00 C ATOM 354 O ALA A 35 8.568 9.037 -24.347 1.00 0.00 O ATOM 355 CB ALA A 35 11.729 9.415 -22.483 1.00 0.00 C ATOM 0 H ALA A 35 11.210 7.024 -23.375 1.00 0.00 H new ATOM 0 HA ALA A 35 9.697 9.129 -21.919 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.658 10.502 -22.433 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.116 9.033 -21.538 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.403 9.132 -23.292 1.00 0.00 H new TER 361 ALA A 35 ATOM 362 N THR B 12 -6.773 0.803 -18.277 1.00 0.00 N ATOM 363 CA THR B 12 -7.920 0.398 -17.485 1.00 0.00 C ATOM 364 C THR B 12 -7.747 -1.041 -16.993 1.00 0.00 C ATOM 365 O THR B 12 -7.177 -1.876 -17.695 1.00 0.00 O ATOM 366 CB THR B 12 -9.177 0.603 -18.332 1.00 0.00 C ATOM 367 OG1 THR B 12 -9.035 -0.334 -19.396 1.00 0.00 O ATOM 368 CG2 THR B 12 -9.194 1.962 -19.033 1.00 0.00 C ATOM 0 HA THR B 12 -8.014 1.007 -16.586 1.00 0.00 H new ATOM 0 HB THR B 12 -10.060 0.509 -17.700 1.00 0.00 H new ATOM 0 HG1 THR B 12 -8.097 -0.371 -19.676 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.107 2.057 -19.621 1.00 0.00 H new ATOM 0 HG22 THR B 12 -9.158 2.756 -18.288 1.00 0.00 H new ATOM 0 HG23 THR B 12 -8.329 2.043 -19.691 1.00 0.00 H new ATOM 376 N ALA B 13 -8.248 -1.287 -15.792 1.00 0.00 N ATOM 377 CA ALA B 13 -8.156 -2.611 -15.199 1.00 0.00 C ATOM 378 C ALA B 13 -9.559 -3.100 -14.835 1.00 0.00 C ATOM 379 O ALA B 13 -10.115 -2.700 -13.813 1.00 0.00 O ATOM 380 CB ALA B 13 -7.223 -2.563 -13.987 1.00 0.00 C ATOM 0 H ALA B 13 -8.719 -0.592 -15.213 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.733 -3.322 -15.909 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -7.154 -3.555 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.232 -2.237 -14.303 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -7.618 -1.862 -13.251 1.00 0.00 H new ATOM 386 N LEU B 14 -10.092 -3.959 -15.692 1.00 0.00 N ATOM 387 CA LEU B 14 -11.420 -4.509 -15.473 1.00 0.00 C ATOM 388 C LEU B 14 -11.378 -6.026 -15.669 1.00 0.00 C ATOM 389 O LEU B 14 -10.386 -6.565 -16.158 1.00 0.00 O ATOM 390 CB LEU B 14 -12.445 -3.801 -16.363 1.00 0.00 C ATOM 391 CG LEU B 14 -12.115 -3.752 -17.855 1.00 0.00 C ATOM 392 CD1 LEU B 14 -13.310 -4.207 -18.696 1.00 0.00 C ATOM 393 CD2 LEU B 14 -11.624 -2.360 -18.262 1.00 0.00 C ATOM 0 H LEU B 14 -9.629 -4.288 -16.539 1.00 0.00 H new ATOM 0 HA LEU B 14 -11.743 -4.329 -14.448 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -13.408 -4.297 -16.240 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -12.565 -2.779 -16.004 1.00 0.00 H new ATOM 0 HG LEU B 14 -11.301 -4.450 -18.048 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -13.049 -4.163 -19.753 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -13.573 -5.231 -18.430 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -14.160 -3.552 -18.505 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -11.396 -2.352 -19.328 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -12.400 -1.624 -18.051 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -10.726 -2.111 -17.697 1.00 0.00 H new ATOM 404 N ASN B 15 -12.467 -6.671 -15.277 1.00 0.00 N ATOM 405 CA ASN B 15 -12.567 -8.115 -15.403 1.00 0.00 C ATOM 406 C ASN B 15 -13.212 -8.462 -16.746 1.00 0.00 C ATOM 407 O ASN B 15 -14.405 -8.234 -16.943 1.00 0.00 O ATOM 408 CB ASN B 15 -13.439 -8.705 -14.292 1.00 0.00 C ATOM 409 CG ASN B 15 -12.599 -9.527 -13.314 1.00 0.00 C ATOM 410 OD1 ASN B 15 -12.117 -10.605 -13.624 1.00 0.00 O ATOM 411 ND2 ASN B 15 -12.452 -8.962 -12.119 1.00 0.00 N ATOM 0 H ASN B 15 -13.287 -6.220 -14.872 1.00 0.00 H new ATOM 0 HA ASN B 15 -11.562 -8.531 -15.332 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -13.945 -7.902 -13.756 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -14.214 -9.334 -14.729 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -11.909 -9.433 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -12.882 -8.058 -11.926 1.00 0.00 H new ATOM 417 N THR B 16 -12.396 -9.007 -17.635 1.00 0.00 N ATOM 418 CA THR B 16 -12.872 -9.386 -18.954 1.00 0.00 C ATOM 419 C THR B 16 -12.821 -10.906 -19.122 1.00 0.00 C ATOM 420 O THR B 16 -11.857 -11.443 -19.665 1.00 0.00 O ATOM 421 CB THR B 16 -12.039 -8.633 -19.992 1.00 0.00 C ATOM 422 OG1 THR B 16 -12.436 -7.273 -19.836 1.00 0.00 O ATOM 423 CG2 THR B 16 -12.443 -8.975 -21.428 1.00 0.00 C ATOM 0 H THR B 16 -11.408 -9.195 -17.468 1.00 0.00 H new ATOM 0 HA THR B 16 -13.917 -9.109 -19.092 1.00 0.00 H new ATOM 0 HB THR B 16 -10.984 -8.864 -19.846 1.00 0.00 H new ATOM 0 HG1 THR B 16 -13.194 -7.084 -20.427 1.00 0.00 H new ATOM 0 HG21 THR B 16 -11.821 -8.413 -22.125 1.00 0.00 H new ATOM 0 HG22 THR B 16 -12.307 -10.043 -21.600 1.00 0.00 H new ATOM 0 HG23 THR B 16 -13.489 -8.713 -21.584 1.00 0.00 H new HETATM 431 N DPR B 17 -13.900 -11.576 -18.632 1.00 0.00 N HETATM 432 CA DPR B 17 -13.987 -13.023 -18.723 1.00 0.00 C HETATM 433 CB DPR B 17 -15.455 -13.343 -18.497 1.00 0.00 C HETATM 434 CG DPR B 17 -16.053 -12.115 -17.831 1.00 0.00 C HETATM 435 CD DPR B 17 -15.060 -10.973 -17.983 1.00 0.00 C HETATM 436 C DPR B 17 -13.065 -13.693 -17.701 1.00 0.00 C HETATM 437 O DPR B 17 -13.016 -13.283 -16.543 1.00 0.00 O HETATM 0 HG3 DPR B 17 -17.006 -11.856 -18.292 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -16.252 -12.311 -16.777 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -14.795 -10.547 -17.015 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -15.475 -10.165 -18.585 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -15.957 -13.559 -19.440 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -15.570 -14.224 -17.866 1.00 0.00 H new HETATM 0 HA DPR B 17 -13.653 -13.405 -19.688 1.00 0.00 H new ATOM 445 N ALA B 18 -12.358 -14.710 -18.169 1.00 0.00 N ATOM 446 CA ALA B 18 -11.440 -15.441 -17.310 1.00 0.00 C ATOM 447 C ALA B 18 -10.045 -14.822 -17.418 1.00 0.00 C ATOM 448 O ALA B 18 -9.221 -14.978 -16.518 1.00 0.00 O ATOM 449 CB ALA B 18 -11.452 -16.922 -17.692 1.00 0.00 C ATOM 0 H ALA B 18 -12.401 -15.046 -19.131 1.00 0.00 H new ATOM 0 HA ALA B 18 -11.752 -15.371 -16.268 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -10.764 -17.469 -17.048 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -12.459 -17.321 -17.570 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -11.142 -17.032 -18.731 1.00 0.00 H new ATOM 455 N VAL B 19 -9.823 -14.132 -18.528 1.00 0.00 N ATOM 456 CA VAL B 19 -8.542 -13.489 -18.765 1.00 0.00 C ATOM 457 C VAL B 19 -8.649 -12.004 -18.412 1.00 0.00 C ATOM 458 O VAL B 19 -9.370 -11.257 -19.071 1.00 0.00 O ATOM 459 CB VAL B 19 -8.095 -13.730 -20.208 1.00 0.00 C ATOM 460 CG1 VAL B 19 -6.762 -13.036 -20.493 1.00 0.00 C ATOM 461 CG2 VAL B 19 -8.009 -15.227 -20.513 1.00 0.00 C ATOM 0 H VAL B 19 -10.509 -14.005 -19.272 1.00 0.00 H new ATOM 0 HA VAL B 19 -7.773 -13.921 -18.124 1.00 0.00 H new ATOM 0 HB VAL B 19 -8.846 -13.296 -20.867 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.468 -13.224 -21.526 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -6.870 -11.963 -20.336 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.998 -13.426 -19.821 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -7.689 -15.370 -21.545 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -7.289 -15.694 -19.842 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -8.988 -15.684 -20.370 1.00 0.00 H new ATOM 471 N GLN B 20 -7.919 -11.622 -17.375 1.00 0.00 N ATOM 472 CA GLN B 20 -7.923 -10.239 -16.927 1.00 0.00 C ATOM 473 C GLN B 20 -6.859 -9.436 -17.677 1.00 0.00 C ATOM 474 O GLN B 20 -5.747 -9.917 -17.889 1.00 0.00 O ATOM 475 CB GLN B 20 -7.711 -10.152 -15.414 1.00 0.00 C ATOM 476 CG GLN B 20 -8.418 -8.927 -14.831 1.00 0.00 C ATOM 477 CD GLN B 20 -7.424 -8.006 -14.122 1.00 0.00 C ATOM 478 OE1 GLN B 20 -6.240 -7.981 -14.418 1.00 0.00 O ATOM 479 NE2 GLN B 20 -7.968 -7.252 -13.170 1.00 0.00 N ATOM 0 H GLN B 20 -7.321 -12.245 -16.832 1.00 0.00 H new ATOM 0 HA GLN B 20 -8.899 -9.808 -17.149 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -8.090 -11.056 -14.937 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -6.645 -10.099 -15.195 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -8.921 -8.380 -15.628 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -9.188 -9.247 -14.129 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -8.966 -7.322 -12.972 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -7.387 -6.604 -12.638 1.00 0.00 H new ATOM 486 N LYS B 21 -7.236 -8.224 -18.056 1.00 0.00 N ATOM 487 CA LYS B 21 -6.327 -7.348 -18.777 1.00 0.00 C ATOM 488 C LYS B 21 -5.775 -6.292 -17.819 1.00 0.00 C ATOM 489 O LYS B 21 -6.494 -5.801 -16.950 1.00 0.00 O ATOM 490 CB LYS B 21 -7.016 -6.760 -20.010 1.00 0.00 C ATOM 491 CG LYS B 21 -8.170 -5.841 -19.607 1.00 0.00 C ATOM 492 CD LYS B 21 -8.897 -5.299 -20.840 1.00 0.00 C ATOM 493 CE LYS B 21 -10.399 -5.170 -20.578 1.00 0.00 C ATOM 494 NZ LYS B 21 -11.171 -5.625 -21.756 1.00 0.00 N ATOM 0 H LYS B 21 -8.159 -7.827 -17.878 1.00 0.00 H new ATOM 0 HA LYS B 21 -5.474 -7.912 -19.155 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -6.292 -6.202 -20.604 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -7.391 -7.566 -20.640 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -8.872 -6.388 -18.978 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -7.788 -5.011 -19.012 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -8.486 -4.326 -21.110 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -8.728 -5.963 -21.688 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -10.674 -5.762 -19.705 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -10.647 -4.133 -20.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -11.705 -4.825 -22.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -10.519 -5.996 -22.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -11.832 -6.375 -21.469 1.00 0.00 H new ATOM 503 N TRP B 22 -4.503 -5.973 -18.008 1.00 0.00 N ATOM 504 CA TRP B 22 -3.846 -4.985 -17.171 1.00 0.00 C ATOM 505 C TRP B 22 -3.145 -3.979 -18.089 1.00 0.00 C ATOM 506 O TRP B 22 -1.921 -3.990 -18.206 1.00 0.00 O ATOM 507 CB TRP B 22 -2.894 -5.652 -16.178 1.00 0.00 C ATOM 508 CG TRP B 22 -3.119 -5.236 -14.723 1.00 0.00 C ATOM 509 CD1 TRP B 22 -3.056 -6.003 -13.626 1.00 0.00 C ATOM 510 CD2 TRP B 22 -3.450 -3.914 -14.248 1.00 0.00 C ATOM 511 NE1 TRP B 22 -3.320 -5.274 -12.484 1.00 0.00 N ATOM 512 CE2 TRP B 22 -3.566 -3.963 -12.875 1.00 0.00 C ATOM 513 CE3 TRP B 22 -3.642 -2.714 -14.957 1.00 0.00 C ATOM 514 CZ2 TRP B 22 -3.881 -2.847 -12.091 1.00 0.00 C ATOM 515 CZ3 TRP B 22 -3.956 -1.608 -14.160 1.00 0.00 C ATOM 516 CH2 TRP B 22 -4.078 -1.642 -12.775 1.00 0.00 C ATOM 0 H TRP B 22 -3.910 -6.382 -18.730 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.574 -4.451 -16.560 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -3.003 -6.734 -16.257 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -1.868 -5.414 -16.458 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -2.827 -7.059 -13.634 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -3.332 -5.632 -11.529 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.554 -2.652 -16.032 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -3.967 -2.912 -11.016 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -4.115 -0.661 -14.655 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -4.324 -0.743 -12.230 1.00 0.00 H new ATOM 526 N HIS B 23 -3.953 -3.135 -18.714 1.00 0.00 N ATOM 527 CA HIS B 23 -3.425 -2.126 -19.617 1.00 0.00 C ATOM 528 C HIS B 23 -3.261 -0.802 -18.867 1.00 0.00 C ATOM 529 O HIS B 23 -4.220 -0.045 -18.721 1.00 0.00 O ATOM 530 CB HIS B 23 -4.305 -1.997 -20.862 1.00 0.00 C ATOM 531 CG HIS B 23 -4.174 -3.149 -21.829 1.00 0.00 C ATOM 532 ND1 HIS B 23 -4.519 -4.448 -21.499 1.00 0.00 N ATOM 533 CD2 HIS B 23 -3.733 -3.184 -23.119 1.00 0.00 C ATOM 534 CE1 HIS B 23 -4.291 -5.221 -22.550 1.00 0.00 C ATOM 535 NE2 HIS B 23 -3.803 -4.435 -23.553 1.00 0.00 N ATOM 0 H HIS B 23 -4.968 -3.129 -18.613 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.439 -2.429 -19.970 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.346 -1.914 -20.551 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.052 -1.071 -21.379 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -3.385 -2.336 -23.691 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -4.461 -6.286 -22.604 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -3.536 -4.757 -24.483 1.00 0.00 H new ATOM 542 N PHE B 24 -2.040 -0.564 -18.412 1.00 0.00 N ATOM 543 CA PHE B 24 -1.738 0.654 -17.681 1.00 0.00 C ATOM 544 C PHE B 24 -0.781 1.546 -18.474 1.00 0.00 C ATOM 545 O PHE B 24 0.437 1.429 -18.342 1.00 0.00 O ATOM 546 CB PHE B 24 -1.062 0.237 -16.374 1.00 0.00 C ATOM 547 CG PHE B 24 -0.513 1.407 -15.554 1.00 0.00 C ATOM 548 CD1 PHE B 24 -1.326 2.068 -14.687 1.00 0.00 C ATOM 549 CD2 PHE B 24 0.785 1.785 -15.693 1.00 0.00 C ATOM 550 CE1 PHE B 24 -0.817 3.155 -13.927 1.00 0.00 C ATOM 551 CE2 PHE B 24 1.293 2.871 -14.933 1.00 0.00 C ATOM 552 CZ PHE B 24 0.481 3.533 -14.065 1.00 0.00 C ATOM 0 H PHE B 24 -1.248 -1.195 -18.536 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.654 1.217 -17.503 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.780 -0.314 -15.766 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.245 -0.448 -16.602 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.357 1.767 -14.576 1.00 0.00 H new ATOM 0 HD2 PHE B 24 1.430 1.259 -16.382 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.462 3.681 -13.239 1.00 0.00 H new ATOM 0 HE2 PHE B 24 2.324 3.172 -15.044 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.868 4.359 -13.486 1.00 0.00 H new ATOM 561 N VAL B 25 -1.367 2.419 -19.281 1.00 0.00 N ATOM 562 CA VAL B 25 -0.581 3.331 -20.095 1.00 0.00 C ATOM 563 C VAL B 25 -1.064 4.762 -19.859 1.00 0.00 C ATOM 564 O VAL B 25 -1.766 5.331 -20.694 1.00 0.00 O ATOM 565 CB VAL B 25 -0.650 2.911 -21.565 1.00 0.00 C ATOM 566 CG1 VAL B 25 0.027 1.556 -21.781 1.00 0.00 C ATOM 567 CG2 VAL B 25 -2.098 2.886 -22.061 1.00 0.00 C ATOM 0 H VAL B 25 -2.377 2.514 -19.388 1.00 0.00 H new ATOM 0 HA VAL B 25 0.470 3.291 -19.808 1.00 0.00 H new ATOM 0 HB VAL B 25 -0.108 3.653 -22.151 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -0.036 1.281 -22.834 1.00 0.00 H new ATOM 0 HG12 VAL B 25 1.074 1.621 -21.485 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -0.474 0.799 -21.178 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -2.119 2.584 -23.108 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -2.674 2.176 -21.467 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.534 3.880 -21.961 1.00 0.00 H new ATOM 577 N LEU B 26 -0.668 5.306 -18.717 1.00 0.00 N ATOM 578 CA LEU B 26 -1.051 6.661 -18.361 1.00 0.00 C ATOM 579 C LEU B 26 0.198 7.543 -18.307 1.00 0.00 C ATOM 580 O LEU B 26 1.252 7.105 -17.847 1.00 0.00 O ATOM 581 CB LEU B 26 -1.862 6.665 -17.064 1.00 0.00 C ATOM 582 CG LEU B 26 -1.053 6.701 -15.767 1.00 0.00 C ATOM 583 CD1 LEU B 26 -0.737 8.139 -15.355 1.00 0.00 C ATOM 584 CD2 LEU B 26 -1.767 5.930 -14.654 1.00 0.00 C ATOM 0 H LEU B 26 -0.086 4.832 -18.027 1.00 0.00 H new ATOM 0 HA LEU B 26 -1.707 7.083 -19.122 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.527 7.528 -17.078 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.493 5.776 -17.051 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.101 6.202 -15.946 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.161 8.134 -14.430 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.157 8.624 -16.141 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.667 8.686 -15.201 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.171 5.971 -13.743 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.743 6.378 -14.469 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.896 4.891 -14.956 1.00 0.00 H new HETATM 595 N DPR B 27 0.036 8.802 -18.797 1.00 0.00 N HETATM 596 CA DPR B 27 1.138 9.747 -18.809 1.00 0.00 C HETATM 597 CB DPR B 27 0.487 11.108 -18.994 1.00 0.00 C HETATM 598 CG DPR B 27 -0.904 10.833 -19.543 1.00 0.00 C HETATM 599 CD DPR B 27 -1.197 9.354 -19.351 1.00 0.00 C HETATM 600 C DPR B 27 2.140 9.409 -19.916 1.00 0.00 C HETATM 601 O DPR B 27 1.923 9.746 -21.078 1.00 0.00 O HETATM 0 HG3 DPR B 27 -1.646 11.440 -19.024 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -0.957 11.099 -20.599 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -1.456 8.876 -20.296 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -2.038 9.201 -18.675 1.00 0.00 H new HETATM 0 HB3 DPR B 27 0.434 11.648 -18.048 1.00 0.00 H new HETATM 0 HB2 DPR B 27 1.063 11.726 -19.682 1.00 0.00 H new HETATM 0 HA DPR B 27 1.723 9.721 -17.890 1.00 0.00 H new ATOM 609 N GLY B 28 3.214 8.747 -19.514 1.00 0.00 N ATOM 610 CA GLY B 28 4.250 8.359 -20.456 1.00 0.00 C ATOM 611 C GLY B 28 4.885 7.025 -20.056 1.00 0.00 C ATOM 612 O GLY B 28 6.062 6.789 -20.323 1.00 0.00 O ATOM 0 H GLY B 28 3.390 8.469 -18.548 1.00 0.00 H new ATOM 0 HA2 GLY B 28 3.825 8.278 -21.456 1.00 0.00 H new ATOM 0 HA3 GLY B 28 5.017 9.133 -20.498 1.00 0.00 H new ATOM 616 N TYR B 29 4.076 6.189 -19.422 1.00 0.00 N ATOM 617 CA TYR B 29 4.544 4.885 -18.982 1.00 0.00 C ATOM 618 C TYR B 29 3.956 3.771 -19.849 1.00 0.00 C ATOM 619 O TYR B 29 2.860 3.911 -20.389 1.00 0.00 O ATOM 620 CB TYR B 29 4.040 4.719 -17.547 1.00 0.00 C ATOM 621 CG TYR B 29 4.974 5.306 -16.487 1.00 0.00 C ATOM 622 CD1 TYR B 29 5.196 6.668 -16.441 1.00 0.00 C ATOM 623 CD2 TYR B 29 5.596 4.475 -15.578 1.00 0.00 C ATOM 624 CE1 TYR B 29 6.075 7.221 -15.444 1.00 0.00 C ATOM 625 CE2 TYR B 29 6.475 5.027 -14.580 1.00 0.00 C ATOM 626 CZ TYR B 29 6.672 6.373 -14.563 1.00 0.00 C ATOM 627 OH TYR B 29 7.501 6.896 -13.620 1.00 0.00 O ATOM 0 H TYR B 29 3.100 6.389 -19.202 1.00 0.00 H new ATOM 0 HA TYR B 29 5.630 4.822 -19.054 1.00 0.00 H new ATOM 0 HB2 TYR B 29 3.063 5.194 -17.459 1.00 0.00 H new ATOM 0 HB3 TYR B 29 3.898 3.658 -17.343 1.00 0.00 H new ATOM 0 HD1 TYR B 29 4.710 7.319 -17.153 1.00 0.00 H new ATOM 0 HD2 TYR B 29 5.423 3.410 -15.615 1.00 0.00 H new ATOM 0 HE1 TYR B 29 6.256 8.285 -15.396 1.00 0.00 H new ATOM 0 HE2 TYR B 29 6.966 4.387 -13.862 1.00 0.00 H new ATOM 0 HH TYR B 29 7.855 6.174 -13.059 1.00 0.00 H new ATOM 636 N LYS B 30 4.711 2.687 -19.955 1.00 0.00 N ATOM 637 CA LYS B 30 4.279 1.548 -20.747 1.00 0.00 C ATOM 638 C LYS B 30 4.390 0.275 -19.907 1.00 0.00 C ATOM 639 O LYS B 30 5.427 -0.387 -19.911 1.00 0.00 O ATOM 640 CB LYS B 30 5.055 1.485 -22.064 1.00 0.00 C ATOM 641 CG LYS B 30 4.149 1.042 -23.214 1.00 0.00 C ATOM 642 CD LYS B 30 4.230 -0.473 -23.423 1.00 0.00 C ATOM 643 CE LYS B 30 4.440 -0.811 -24.900 1.00 0.00 C ATOM 644 NZ LYS B 30 3.389 -1.739 -25.374 1.00 0.00 N ATOM 0 H LYS B 30 5.619 2.574 -19.505 1.00 0.00 H new ATOM 0 HA LYS B 30 3.231 1.655 -21.026 1.00 0.00 H new ATOM 0 HB2 LYS B 30 5.479 2.464 -22.287 1.00 0.00 H new ATOM 0 HB3 LYS B 30 5.889 0.791 -21.966 1.00 0.00 H new ATOM 0 HG2 LYS B 30 3.119 1.329 -23.002 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.441 1.555 -24.130 1.00 0.00 H new ATOM 0 HD2 LYS B 30 5.050 -0.882 -22.832 1.00 0.00 H new ATOM 0 HD3 LYS B 30 3.314 -0.943 -23.065 1.00 0.00 H new ATOM 0 HE2 LYS B 30 4.422 0.103 -25.494 1.00 0.00 H new ATOM 0 HE3 LYS B 30 5.422 -1.263 -25.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.547 -1.958 -26.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.425 -2.617 -24.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.456 -1.295 -25.259 1.00 0.00 H new ATOM 653 N CYS B 31 3.309 -0.030 -19.204 1.00 0.00 N ATOM 654 CA CYS B 31 3.272 -1.211 -18.360 1.00 0.00 C ATOM 655 C CYS B 31 2.117 -2.100 -18.827 1.00 0.00 C ATOM 656 O CYS B 31 0.960 -1.686 -18.795 1.00 0.00 O ATOM 657 CB CYS B 31 3.149 -0.846 -16.879 1.00 0.00 C ATOM 658 SG CYS B 31 4.072 -1.939 -15.739 1.00 0.00 S ATOM 0 H CYS B 31 2.451 0.522 -19.202 1.00 0.00 H new ATOM 0 HA CYS B 31 4.211 -1.757 -18.454 1.00 0.00 H new ATOM 0 HB2 CYS B 31 3.499 0.177 -16.741 1.00 0.00 H new ATOM 0 HB3 CYS B 31 2.095 -0.863 -16.602 1.00 0.00 H new ATOM 662 N GLU B 32 2.473 -3.304 -19.248 1.00 0.00 N ATOM 663 CA GLU B 32 1.480 -4.255 -19.721 1.00 0.00 C ATOM 664 C GLU B 32 1.604 -5.574 -18.958 1.00 0.00 C ATOM 665 O GLU B 32 2.609 -6.274 -19.079 1.00 0.00 O ATOM 666 CB GLU B 32 1.610 -4.479 -21.229 1.00 0.00 C ATOM 667 CG GLU B 32 0.893 -3.377 -22.011 1.00 0.00 C ATOM 668 CD GLU B 32 0.151 -3.954 -23.218 1.00 0.00 C ATOM 669 OE1 GLU B 32 0.717 -4.771 -23.961 1.00 0.00 O ATOM 670 OE2 GLU B 32 -1.056 -3.528 -23.373 1.00 0.00 O ATOM 0 H GLU B 32 3.435 -3.644 -19.272 1.00 0.00 H new ATOM 0 HA GLU B 32 0.489 -3.841 -19.533 1.00 0.00 H new ATOM 0 HB2 GLU B 32 2.664 -4.501 -21.507 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.190 -5.450 -21.494 1.00 0.00 H new ATOM 0 HG2 GLU B 32 0.188 -2.863 -21.358 1.00 0.00 H new ATOM 0 HG3 GLU B 32 1.617 -2.634 -22.346 1.00 0.00 H new ATOM 676 N ILE B 33 0.568 -5.876 -18.189 1.00 0.00 N ATOM 677 CA ILE B 33 0.549 -7.100 -17.406 1.00 0.00 C ATOM 678 C ILE B 33 -0.704 -7.905 -17.757 1.00 0.00 C ATOM 679 O ILE B 33 -1.770 -7.333 -17.986 1.00 0.00 O ATOM 680 CB ILE B 33 0.678 -6.784 -15.915 1.00 0.00 C ATOM 681 CG1 ILE B 33 1.999 -6.073 -15.617 1.00 0.00 C ATOM 682 CG2 ILE B 33 0.504 -8.048 -15.070 1.00 0.00 C ATOM 683 CD1 ILE B 33 1.783 -4.882 -14.683 1.00 0.00 C ATOM 0 H ILE B 33 -0.264 -5.294 -18.091 1.00 0.00 H new ATOM 0 HA ILE B 33 1.409 -7.723 -17.652 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.125 -6.100 -15.640 1.00 0.00 H new ATOM 0 HG12 ILE B 33 2.699 -6.774 -15.162 1.00 0.00 H new ATOM 0 HG13 ILE B 33 2.450 -5.732 -16.549 1.00 0.00 H new ATOM 0 HG21 ILE B 33 0.600 -7.796 -14.014 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.482 -8.475 -15.253 1.00 0.00 H new ATOM 0 HG23 ILE B 33 1.270 -8.775 -15.341 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.738 -4.395 -14.488 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.102 -4.171 -15.151 1.00 0.00 H new ATOM 0 HD13 ILE B 33 1.354 -5.230 -13.743 1.00 0.00 H new ATOM 694 N LEU B 34 -0.536 -9.219 -17.790 1.00 0.00 N ATOM 695 CA LEU B 34 -1.639 -10.108 -18.110 1.00 0.00 C ATOM 696 C LEU B 34 -1.861 -11.078 -16.947 1.00 0.00 C ATOM 697 O LEU B 34 -0.907 -11.650 -16.422 1.00 0.00 O ATOM 698 CB LEU B 34 -1.397 -10.802 -19.452 1.00 0.00 C ATOM 699 CG LEU B 34 -0.277 -11.845 -19.475 1.00 0.00 C ATOM 700 CD1 LEU B 34 -0.710 -13.097 -20.241 1.00 0.00 C ATOM 701 CD2 LEU B 34 1.016 -11.249 -20.034 1.00 0.00 C ATOM 0 H LEU B 34 0.349 -9.689 -17.600 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.561 -9.541 -18.233 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.324 -11.286 -19.761 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.172 -10.039 -20.198 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.073 -12.150 -18.449 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.104 -13.822 -20.242 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.585 -13.534 -19.759 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.958 -12.828 -21.268 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.795 -12.011 -20.039 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.845 -10.898 -21.052 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.331 -10.413 -19.410 1.00 0.00 H new ATOM 712 N ALA B 35 -3.125 -11.233 -16.581 1.00 0.00 N ATOM 713 CA ALA B 35 -3.483 -12.124 -15.490 1.00 0.00 C ATOM 714 C ALA B 35 -4.662 -12.999 -15.920 1.00 0.00 C ATOM 715 O ALA B 35 -5.060 -13.909 -15.195 1.00 0.00 O ATOM 716 CB ALA B 35 -3.794 -11.299 -14.239 1.00 0.00 C ATOM 0 H ALA B 35 -3.913 -10.757 -17.020 1.00 0.00 H new ATOM 0 HA ALA B 35 -2.653 -12.786 -15.245 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -4.063 -11.967 -13.420 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -2.916 -10.717 -13.959 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -4.625 -10.625 -14.445 1.00 0.00 H new TER 722 ALA B 35