USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 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 Single : A 12 THR OG1 : rot 27:sc= 0.0025 USER MOD Single : A 15 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.6!) USER MOD Single : A 16 THR OG1 : rot -69:sc= 1.01 USER MOD Single : A 20 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.5) 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 31:sc= 0.0164 USER MOD Single : B 15 ASN : amide:sc= -0.647 K(o=-0.65,f=-3.5!) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.51) USER MOD Single : B 21 LYS NZ :NH3+ -174:sc= 0.0132 (180deg=0.00988) USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) 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 18.795 -4.485 -19.875 1.00 0.00 N ATOM 2 CA THR A 12 18.798 -3.560 -20.995 1.00 0.00 C ATOM 3 C THR A 12 19.005 -2.126 -20.502 1.00 0.00 C ATOM 4 O THR A 12 18.053 -1.352 -20.416 1.00 0.00 O ATOM 5 CB THR A 12 17.493 -3.753 -21.770 1.00 0.00 C ATOM 6 OG1 THR A 12 17.725 -4.920 -22.556 1.00 0.00 O ATOM 7 CG2 THR A 12 17.257 -2.649 -22.804 1.00 0.00 C ATOM 0 HA THR A 12 19.628 -3.761 -21.672 1.00 0.00 H new ATOM 0 HB THR A 12 16.657 -3.781 -21.071 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.383 -5.491 -22.107 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.318 -2.834 -23.326 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.209 -1.683 -22.301 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.076 -2.643 -23.523 1.00 0.00 H new ATOM 15 N ALA A 13 20.255 -1.816 -20.191 1.00 0.00 N ATOM 16 CA ALA A 13 20.599 -0.490 -19.709 1.00 0.00 C ATOM 17 C ALA A 13 21.394 0.249 -20.788 1.00 0.00 C ATOM 18 O ALA A 13 22.594 0.476 -20.635 1.00 0.00 O ATOM 19 CB ALA A 13 21.373 -0.609 -18.394 1.00 0.00 C ATOM 0 H ALA A 13 21.042 -2.461 -20.264 1.00 0.00 H new ATOM 0 HA ALA A 13 19.699 0.090 -19.506 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.631 0.386 -18.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 20.755 -1.115 -17.653 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.285 -1.183 -18.559 1.00 0.00 H new ATOM 25 N LEU A 14 20.693 0.606 -21.854 1.00 0.00 N ATOM 26 CA LEU A 14 21.318 1.315 -22.957 1.00 0.00 C ATOM 27 C LEU A 14 20.823 2.763 -22.973 1.00 0.00 C ATOM 28 O LEU A 14 20.136 3.178 -23.905 1.00 0.00 O ATOM 29 CB LEU A 14 21.084 0.571 -24.273 1.00 0.00 C ATOM 30 CG LEU A 14 19.665 0.640 -24.840 1.00 0.00 C ATOM 31 CD1 LEU A 14 19.627 1.468 -26.126 1.00 0.00 C ATOM 32 CD2 LEU A 14 19.087 -0.762 -25.044 1.00 0.00 C ATOM 0 H LEU A 14 19.698 0.417 -21.977 1.00 0.00 H new ATOM 0 HA LEU A 14 22.399 1.349 -22.824 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.772 0.969 -25.019 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.344 -0.477 -24.126 1.00 0.00 H new ATOM 0 HG LEU A 14 19.031 1.147 -24.112 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.607 1.501 -26.508 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.969 2.482 -25.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.279 1.012 -26.871 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.078 -0.684 -25.448 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.715 -1.317 -25.741 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.056 -1.285 -24.088 1.00 0.00 H new ATOM 43 N ASN A 15 21.192 3.492 -21.930 1.00 0.00 N ATOM 44 CA ASN A 15 20.793 4.885 -21.812 1.00 0.00 C ATOM 45 C ASN A 15 22.027 5.739 -21.511 1.00 0.00 C ATOM 46 O ASN A 15 22.819 5.404 -20.632 1.00 0.00 O ATOM 47 CB ASN A 15 19.796 5.077 -20.669 1.00 0.00 C ATOM 48 CG ASN A 15 20.287 4.395 -19.391 1.00 0.00 C ATOM 49 OD1 ASN A 15 21.431 3.989 -19.274 1.00 0.00 O ATOM 50 ND2 ASN A 15 19.361 4.293 -18.442 1.00 0.00 N ATOM 0 H ASN A 15 21.763 3.145 -21.159 1.00 0.00 H new ATOM 0 HA ASN A 15 20.327 5.184 -22.751 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.650 6.141 -20.484 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.827 4.667 -20.955 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.591 3.853 -17.551 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.421 4.654 -18.605 1.00 0.00 H new ATOM 56 N THR A 16 22.150 6.827 -22.259 1.00 0.00 N ATOM 57 CA THR A 16 23.273 7.731 -22.084 1.00 0.00 C ATOM 58 C THR A 16 22.805 9.186 -22.170 1.00 0.00 C ATOM 59 O THR A 16 23.268 9.941 -23.023 1.00 0.00 O ATOM 60 CB THR A 16 24.336 7.372 -23.123 1.00 0.00 C ATOM 61 OG1 THR A 16 25.274 8.442 -23.045 1.00 0.00 O ATOM 62 CG2 THR A 16 23.804 7.449 -24.556 1.00 0.00 C ATOM 0 H THR A 16 21.490 7.102 -22.987 1.00 0.00 H new ATOM 0 HA THR A 16 23.717 7.623 -21.094 1.00 0.00 H new ATOM 0 HB THR A 16 24.709 6.367 -22.927 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.865 9.262 -23.392 1.00 0.00 H new ATOM 0 HG21 THR A 16 24.599 7.185 -25.254 1.00 0.00 H new ATOM 0 HG22 THR A 16 22.972 6.754 -24.673 1.00 0.00 H new ATOM 0 HG23 THR A 16 23.462 8.463 -24.763 1.00 0.00 H new HETATM 70 N DPR A 17 21.868 9.543 -21.252 1.00 0.00 N HETATM 71 CA DPR A 17 21.331 10.893 -21.216 1.00 0.00 C HETATM 72 CB DPR A 17 20.689 11.025 -19.845 1.00 0.00 C HETATM 73 CG DPR A 17 20.481 9.605 -19.343 1.00 0.00 C HETATM 74 CD DPR A 17 21.296 8.674 -20.227 1.00 0.00 C HETATM 75 C DPR A 17 20.346 11.121 -22.363 1.00 0.00 C HETATM 76 O DPR A 17 19.155 11.330 -22.130 1.00 0.00 O HETATM 0 HG3 DPR A 17 20.797 9.518 -18.303 1.00 0.00 H new HETATM 0 HG2 DPR A 17 19.425 9.338 -19.379 1.00 0.00 H new HETATM 0 HD3 DPR A 17 20.670 7.899 -20.669 1.00 0.00 H new HETATM 0 HD2 DPR A 17 22.075 8.168 -19.657 1.00 0.00 H new HETATM 0 HB3 DPR A 17 21.329 11.589 -19.167 1.00 0.00 H new HETATM 0 HB2 DPR A 17 19.741 11.560 -19.907 1.00 0.00 H new HETATM 0 HA DPR A 17 22.098 11.655 -21.356 1.00 0.00 H new ATOM 84 N ALA A 18 20.876 11.075 -23.576 1.00 0.00 N ATOM 85 CA ALA A 18 20.057 11.273 -24.760 1.00 0.00 C ATOM 86 C ALA A 18 18.729 10.534 -24.586 1.00 0.00 C ATOM 87 O ALA A 18 17.683 11.159 -24.420 1.00 0.00 O ATOM 88 CB ALA A 18 20.826 10.809 -25.998 1.00 0.00 C ATOM 0 H ALA A 18 21.864 10.903 -23.765 1.00 0.00 H new ATOM 0 HA ALA A 18 19.830 12.330 -24.896 1.00 0.00 H new ATOM 0 HB1 ALA A 18 20.211 10.958 -26.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 21.746 11.387 -26.093 1.00 0.00 H new ATOM 0 HB3 ALA A 18 21.070 9.751 -25.899 1.00 0.00 H new ATOM 94 N VAL A 19 18.815 9.212 -24.631 1.00 0.00 N ATOM 95 CA VAL A 19 17.633 8.380 -24.481 1.00 0.00 C ATOM 96 C VAL A 19 17.756 7.554 -23.199 1.00 0.00 C ATOM 97 O VAL A 19 18.855 7.163 -22.811 1.00 0.00 O ATOM 98 CB VAL A 19 17.437 7.519 -25.731 1.00 0.00 C ATOM 99 CG1 VAL A 19 16.323 6.491 -25.520 1.00 0.00 C ATOM 100 CG2 VAL A 19 17.155 8.390 -26.957 1.00 0.00 C ATOM 0 H VAL A 19 19.685 8.697 -24.769 1.00 0.00 H new ATOM 0 HA VAL A 19 16.740 8.998 -24.385 1.00 0.00 H new ATOM 0 HB VAL A 19 18.364 6.975 -25.912 1.00 0.00 H new ATOM 0 HG11 VAL A 19 16.204 5.892 -26.423 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.582 5.840 -24.685 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.388 7.007 -25.301 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.020 7.754 -27.832 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.250 8.973 -26.789 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.995 9.064 -27.125 1.00 0.00 H new ATOM 110 N GLN A 20 16.610 7.313 -22.577 1.00 0.00 N ATOM 111 CA GLN A 20 16.576 6.540 -21.347 1.00 0.00 C ATOM 112 C GLN A 20 15.665 5.322 -21.511 1.00 0.00 C ATOM 113 O GLN A 20 14.470 5.394 -21.225 1.00 0.00 O ATOM 114 CB GLN A 20 16.128 7.406 -20.168 1.00 0.00 C ATOM 115 CG GLN A 20 16.701 6.880 -18.851 1.00 0.00 C ATOM 116 CD GLN A 20 16.025 7.548 -17.652 1.00 0.00 C ATOM 117 OE1 GLN A 20 14.812 7.618 -17.550 1.00 0.00 O ATOM 118 NE2 GLN A 20 16.877 8.034 -16.754 1.00 0.00 N ATOM 0 H GLN A 20 15.700 7.639 -22.902 1.00 0.00 H new ATOM 0 HA GLN A 20 17.585 6.188 -21.133 1.00 0.00 H new ATOM 0 HB2 GLN A 20 16.452 8.435 -20.324 1.00 0.00 H new ATOM 0 HB3 GLN A 20 15.039 7.419 -20.115 1.00 0.00 H new ATOM 0 HG2 GLN A 20 16.563 5.800 -18.796 1.00 0.00 H new ATOM 0 HG3 GLN A 20 17.775 7.066 -18.818 1.00 0.00 H new ATOM 0 HE21 GLN A 20 17.882 7.941 -16.902 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.526 8.500 -15.917 1.00 0.00 H new ATOM 125 N LYS A 21 16.262 4.233 -21.970 1.00 0.00 N ATOM 126 CA LYS A 21 15.519 3.002 -22.174 1.00 0.00 C ATOM 127 C LYS A 21 15.970 1.962 -21.147 1.00 0.00 C ATOM 128 O LYS A 21 16.996 1.309 -21.329 1.00 0.00 O ATOM 129 CB LYS A 21 15.651 2.531 -23.624 1.00 0.00 C ATOM 130 CG LYS A 21 14.790 3.383 -24.559 1.00 0.00 C ATOM 131 CD LYS A 21 13.918 2.503 -25.456 1.00 0.00 C ATOM 132 CE LYS A 21 14.779 1.662 -26.402 1.00 0.00 C ATOM 133 NZ LYS A 21 14.280 0.270 -26.457 1.00 0.00 N ATOM 0 H LYS A 21 17.253 4.177 -22.207 1.00 0.00 H new ATOM 0 HA LYS A 21 14.454 3.169 -22.012 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.694 2.586 -23.934 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.351 1.486 -23.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.158 4.048 -23.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.431 4.014 -25.175 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.301 1.848 -24.840 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.239 3.128 -26.036 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.766 2.099 -27.400 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.815 1.670 -26.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.875 -0.287 -27.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.315 -0.149 -25.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.298 0.266 -26.801 1.00 0.00 H new ATOM 142 N TRP A 22 15.181 1.841 -20.090 1.00 0.00 N ATOM 143 CA TRP A 22 15.486 0.892 -19.033 1.00 0.00 C ATOM 144 C TRP A 22 14.177 0.228 -18.601 1.00 0.00 C ATOM 145 O TRP A 22 13.410 0.804 -17.831 1.00 0.00 O ATOM 146 CB TRP A 22 16.221 1.575 -17.877 1.00 0.00 C ATOM 147 CG TRP A 22 15.300 2.327 -16.913 1.00 0.00 C ATOM 148 CD1 TRP A 22 14.296 3.162 -17.213 1.00 0.00 C ATOM 149 CD2 TRP A 22 15.339 2.276 -15.472 1.00 0.00 C ATOM 150 NE1 TRP A 22 13.689 3.652 -16.075 1.00 0.00 N ATOM 151 CE2 TRP A 22 14.344 3.096 -14.982 1.00 0.00 C ATOM 152 CE3 TRP A 22 16.190 1.561 -14.609 1.00 0.00 C ATOM 153 CZ2 TRP A 22 14.103 3.279 -13.615 1.00 0.00 C ATOM 154 CZ3 TRP A 22 15.936 1.755 -13.246 1.00 0.00 C ATOM 155 CH2 TRP A 22 14.938 2.577 -12.737 1.00 0.00 C ATOM 0 H TRP A 22 14.331 2.385 -19.943 1.00 0.00 H new ATOM 0 HA TRP A 22 16.166 0.119 -19.393 1.00 0.00 H new ATOM 0 HB2 TRP A 22 16.778 0.823 -17.319 1.00 0.00 H new ATOM 0 HB3 TRP A 22 16.951 2.274 -18.286 1.00 0.00 H new ATOM 0 HD1 TRP A 22 13.999 3.419 -18.219 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.904 4.303 -16.042 1.00 0.00 H new ATOM 0 HE3 TRP A 22 16.976 0.914 -14.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 13.316 3.926 -13.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 16.560 1.228 -12.540 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.807 2.674 -11.669 1.00 0.00 H new ATOM 165 N HIS A 23 13.963 -0.974 -19.114 1.00 0.00 N ATOM 166 CA HIS A 23 12.759 -1.723 -18.791 1.00 0.00 C ATOM 167 C HIS A 23 13.079 -2.772 -17.725 1.00 0.00 C ATOM 168 O HIS A 23 14.244 -3.097 -17.498 1.00 0.00 O ATOM 169 CB HIS A 23 12.141 -2.327 -20.053 1.00 0.00 C ATOM 170 CG HIS A 23 12.810 -3.599 -20.515 1.00 0.00 C ATOM 171 ND1 HIS A 23 13.466 -3.702 -21.730 1.00 0.00 N ATOM 172 CD2 HIS A 23 12.917 -4.819 -19.914 1.00 0.00 C ATOM 173 CE1 HIS A 23 13.943 -4.934 -21.845 1.00 0.00 C ATOM 174 NE2 HIS A 23 13.601 -5.624 -20.718 1.00 0.00 N ATOM 0 H HIS A 23 14.602 -1.449 -19.751 1.00 0.00 H new ATOM 0 HA HIS A 23 12.008 -1.052 -18.375 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.086 -2.530 -19.868 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.188 -1.591 -20.856 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.514 -5.085 -18.948 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.503 -5.323 -22.683 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.833 -6.598 -20.525 1.00 0.00 H new ATOM 181 N PHE A 24 12.024 -3.274 -17.100 1.00 0.00 N ATOM 182 CA PHE A 24 12.178 -4.282 -16.063 1.00 0.00 C ATOM 183 C PHE A 24 11.231 -5.460 -16.300 1.00 0.00 C ATOM 184 O PHE A 24 10.015 -5.314 -16.195 1.00 0.00 O ATOM 185 CB PHE A 24 11.820 -3.614 -14.734 1.00 0.00 C ATOM 186 CG PHE A 24 11.442 -4.598 -13.626 1.00 0.00 C ATOM 187 CD1 PHE A 24 12.381 -5.434 -13.109 1.00 0.00 C ATOM 188 CD2 PHE A 24 10.165 -4.636 -13.157 1.00 0.00 C ATOM 189 CE1 PHE A 24 12.031 -6.347 -12.080 1.00 0.00 C ATOM 190 CE2 PHE A 24 9.815 -5.549 -12.128 1.00 0.00 C ATOM 191 CZ PHE A 24 10.754 -6.386 -11.611 1.00 0.00 C ATOM 0 H PHE A 24 11.060 -3.002 -17.291 1.00 0.00 H new ATOM 0 HA PHE A 24 13.199 -4.665 -16.064 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.667 -3.015 -14.400 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.989 -2.928 -14.896 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.394 -5.404 -13.482 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.419 -3.972 -13.567 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.778 -7.010 -11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.802 -5.579 -11.755 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.487 -7.081 -10.829 1.00 0.00 H new ATOM 200 N VAL A 25 11.826 -6.602 -16.614 1.00 0.00 N ATOM 201 CA VAL A 25 11.052 -7.804 -16.866 1.00 0.00 C ATOM 202 C VAL A 25 11.124 -8.719 -15.642 1.00 0.00 C ATOM 203 O VAL A 25 12.172 -8.829 -15.007 1.00 0.00 O ATOM 204 CB VAL A 25 11.540 -8.483 -18.148 1.00 0.00 C ATOM 205 CG1 VAL A 25 12.922 -9.108 -17.944 1.00 0.00 C ATOM 206 CG2 VAL A 25 10.532 -9.525 -18.636 1.00 0.00 C ATOM 0 H VAL A 25 12.836 -6.719 -16.699 1.00 0.00 H new ATOM 0 HA VAL A 25 10.003 -7.555 -17.025 1.00 0.00 H new ATOM 0 HB VAL A 25 11.629 -7.718 -18.920 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.246 -9.584 -18.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.635 -8.332 -17.666 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.870 -9.854 -17.151 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.904 -9.992 -19.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.395 -10.287 -17.868 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.577 -9.040 -18.840 1.00 0.00 H new ATOM 216 N LEU A 26 9.997 -9.349 -15.346 1.00 0.00 N ATOM 217 CA LEU A 26 9.920 -10.250 -14.208 1.00 0.00 C ATOM 218 C LEU A 26 8.835 -11.298 -14.466 1.00 0.00 C ATOM 219 O LEU A 26 7.704 -11.151 -14.006 1.00 0.00 O ATOM 220 CB LEU A 26 9.719 -9.461 -12.913 1.00 0.00 C ATOM 221 CG LEU A 26 10.160 -10.161 -11.626 1.00 0.00 C ATOM 222 CD1 LEU A 26 9.320 -11.414 -11.367 1.00 0.00 C ATOM 223 CD2 LEU A 26 11.657 -10.472 -11.657 1.00 0.00 C ATOM 0 H LEU A 26 9.130 -9.254 -15.874 1.00 0.00 H new ATOM 0 HA LEU A 26 10.860 -10.788 -14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.263 -8.520 -12.996 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.662 -9.211 -12.823 1.00 0.00 H new ATOM 0 HG LEU A 26 9.989 -9.481 -10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.654 -11.892 -10.446 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.271 -11.135 -11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.436 -12.108 -12.199 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.945 -10.969 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.876 -11.125 -12.502 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.219 -9.544 -11.760 1.00 0.00 H new HETATM 234 N DPR A 27 9.228 -12.360 -15.221 1.00 0.00 N HETATM 235 CA DPR A 27 8.302 -13.431 -15.545 1.00 0.00 C HETATM 236 CB DPR A 27 9.181 -14.590 -15.986 1.00 0.00 C HETATM 237 CG DPR A 27 10.528 -13.980 -16.338 1.00 0.00 C HETATM 238 CD DPR A 27 10.559 -12.566 -15.783 1.00 0.00 C HETATM 239 C DPR A 27 7.308 -12.990 -16.621 1.00 0.00 C HETATM 240 O DPR A 27 7.708 -12.574 -17.707 1.00 0.00 O HETATM 0 HG3 DPR A 27 11.338 -14.574 -15.915 1.00 0.00 H new HETATM 0 HG2 DPR A 27 10.671 -13.969 -17.418 1.00 0.00 H new HETATM 0 HD3 DPR A 27 10.776 -11.838 -16.565 1.00 0.00 H new HETATM 0 HD2 DPR A 27 11.332 -12.456 -15.022 1.00 0.00 H new HETATM 0 HB3 DPR A 27 9.282 -15.328 -15.190 1.00 0.00 H new HETATM 0 HB2 DPR A 27 8.748 -15.104 -16.844 1.00 0.00 H new HETATM 0 HA DPR A 27 7.680 -13.720 -14.698 1.00 0.00 H new ATOM 248 N GLY A 28 6.032 -13.095 -16.281 1.00 0.00 N ATOM 249 CA GLY A 28 4.977 -12.712 -17.204 1.00 0.00 C ATOM 250 C GLY A 28 4.744 -11.201 -17.175 1.00 0.00 C ATOM 251 O GLY A 28 4.311 -10.616 -18.166 1.00 0.00 O ATOM 0 H GLY A 28 5.705 -13.440 -15.379 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.242 -13.023 -18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.055 -13.231 -16.943 1.00 0.00 H new ATOM 255 N TYR A 29 5.043 -10.610 -16.027 1.00 0.00 N ATOM 256 CA TYR A 29 4.872 -9.178 -15.855 1.00 0.00 C ATOM 257 C TYR A 29 5.938 -8.401 -16.630 1.00 0.00 C ATOM 258 O TYR A 29 7.121 -8.463 -16.298 1.00 0.00 O ATOM 259 CB TYR A 29 5.049 -8.909 -14.359 1.00 0.00 C ATOM 260 CG TYR A 29 3.772 -9.098 -13.537 1.00 0.00 C ATOM 261 CD1 TYR A 29 3.159 -10.333 -13.490 1.00 0.00 C ATOM 262 CD2 TYR A 29 3.234 -8.032 -12.845 1.00 0.00 C ATOM 263 CE1 TYR A 29 1.957 -10.511 -12.716 1.00 0.00 C ATOM 264 CE2 TYR A 29 2.031 -8.210 -12.071 1.00 0.00 C ATOM 265 CZ TYR A 29 1.452 -9.440 -12.046 1.00 0.00 C ATOM 266 OH TYR A 29 0.318 -9.608 -11.315 1.00 0.00 O ATOM 0 H TYR A 29 5.403 -11.098 -15.207 1.00 0.00 H new ATOM 0 HA TYR A 29 3.897 -8.861 -16.225 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.821 -9.573 -13.970 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.408 -7.889 -14.224 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.580 -11.166 -14.033 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.714 -7.065 -12.883 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.468 -11.473 -12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.599 -7.385 -11.523 1.00 0.00 H new ATOM 0 HH TYR A 29 0.074 -8.759 -10.890 1.00 0.00 H new ATOM 275 N LYS A 30 5.482 -7.688 -17.649 1.00 0.00 N ATOM 276 CA LYS A 30 6.380 -6.900 -18.474 1.00 0.00 C ATOM 277 C LYS A 30 5.994 -5.423 -18.377 1.00 0.00 C ATOM 278 O LYS A 30 4.841 -5.063 -18.613 1.00 0.00 O ATOM 279 CB LYS A 30 6.403 -7.437 -19.907 1.00 0.00 C ATOM 280 CG LYS A 30 6.858 -8.897 -19.938 1.00 0.00 C ATOM 281 CD LYS A 30 7.156 -9.348 -21.369 1.00 0.00 C ATOM 282 CE LYS A 30 6.068 -10.292 -21.884 1.00 0.00 C ATOM 283 NZ LYS A 30 6.658 -11.581 -22.309 1.00 0.00 N ATOM 0 H LYS A 30 4.500 -7.640 -17.922 1.00 0.00 H new ATOM 0 HA LYS A 30 7.404 -6.986 -18.110 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.409 -7.353 -20.347 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.073 -6.830 -20.516 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.749 -9.017 -19.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.084 -9.532 -19.506 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.226 -8.478 -22.021 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.123 -9.850 -21.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.328 -10.464 -21.102 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.545 -9.831 -22.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.906 -12.210 -22.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.347 -11.413 -23.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.137 -12.027 -21.501 1.00 0.00 H new ATOM 292 N CYS A 31 6.978 -4.607 -18.029 1.00 0.00 N ATOM 293 CA CYS A 31 6.754 -3.177 -17.898 1.00 0.00 C ATOM 294 C CYS A 31 7.847 -2.446 -18.681 1.00 0.00 C ATOM 295 O CYS A 31 9.034 -2.628 -18.414 1.00 0.00 O ATOM 296 CB CYS A 31 6.716 -2.743 -16.431 1.00 0.00 C ATOM 297 SG CYS A 31 6.883 -0.942 -16.160 1.00 0.00 S ATOM 0 H CYS A 31 7.933 -4.909 -17.834 1.00 0.00 H new ATOM 0 HA CYS A 31 5.779 -2.919 -18.311 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.776 -3.077 -15.992 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.517 -3.253 -15.895 1.00 0.00 H new ATOM 301 N GLU A 32 7.408 -1.635 -19.632 1.00 0.00 N ATOM 302 CA GLU A 32 8.333 -0.877 -20.455 1.00 0.00 C ATOM 303 C GLU A 32 8.165 0.622 -20.199 1.00 0.00 C ATOM 304 O GLU A 32 7.042 1.125 -20.150 1.00 0.00 O ATOM 305 CB GLU A 32 8.145 -1.205 -21.937 1.00 0.00 C ATOM 306 CG GLU A 32 9.239 -2.152 -22.433 1.00 0.00 C ATOM 307 CD GLU A 32 8.714 -3.585 -22.546 1.00 0.00 C ATOM 308 OE1 GLU A 32 8.125 -3.951 -23.574 1.00 0.00 O ATOM 309 OE2 GLU A 32 8.938 -4.329 -21.515 1.00 0.00 O ATOM 0 H GLU A 32 6.423 -1.487 -19.851 1.00 0.00 H new ATOM 0 HA GLU A 32 9.349 -1.161 -20.181 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.167 -1.661 -22.091 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.163 -0.285 -22.522 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.603 -1.816 -23.404 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.087 -2.124 -21.748 1.00 0.00 H new ATOM 315 N ILE A 33 9.295 1.295 -20.044 1.00 0.00 N ATOM 316 CA ILE A 33 9.287 2.726 -19.795 1.00 0.00 C ATOM 317 C ILE A 33 10.194 3.422 -20.812 1.00 0.00 C ATOM 318 O ILE A 33 11.313 2.975 -21.059 1.00 0.00 O ATOM 319 CB ILE A 33 9.658 3.018 -18.339 1.00 0.00 C ATOM 320 CG1 ILE A 33 8.631 2.413 -17.379 1.00 0.00 C ATOM 321 CG2 ILE A 33 9.841 4.520 -18.111 1.00 0.00 C ATOM 322 CD1 ILE A 33 9.161 2.406 -15.944 1.00 0.00 C ATOM 0 H ILE A 33 10.224 0.875 -20.086 1.00 0.00 H new ATOM 0 HA ILE A 33 8.284 3.131 -19.932 1.00 0.00 H new ATOM 0 HB ILE A 33 10.615 2.541 -18.128 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.704 2.984 -17.425 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.394 1.395 -17.688 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.104 4.700 -17.069 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.637 4.892 -18.756 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.912 5.040 -18.346 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.412 1.971 -15.282 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.075 1.814 -15.897 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.374 3.428 -15.630 1.00 0.00 H new ATOM 333 N LEU A 34 9.677 4.504 -21.374 1.00 0.00 N ATOM 334 CA LEU A 34 10.426 5.266 -22.359 1.00 0.00 C ATOM 335 C LEU A 34 10.799 6.628 -21.768 1.00 0.00 C ATOM 336 O LEU A 34 10.298 7.007 -20.712 1.00 0.00 O ATOM 337 CB LEU A 34 9.645 5.359 -23.671 1.00 0.00 C ATOM 338 CG LEU A 34 9.766 4.155 -24.610 1.00 0.00 C ATOM 339 CD1 LEU A 34 11.202 3.992 -25.110 1.00 0.00 C ATOM 340 CD2 LEU A 34 9.244 2.883 -23.939 1.00 0.00 C ATOM 0 H LEU A 34 8.748 4.872 -21.166 1.00 0.00 H new ATOM 0 HA LEU A 34 11.359 4.758 -22.605 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.591 5.506 -23.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.978 6.248 -24.207 1.00 0.00 H new ATOM 0 HG LEU A 34 9.141 4.338 -25.484 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.260 3.130 -25.775 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.503 4.889 -25.652 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.868 3.841 -24.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.341 2.043 -24.627 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.823 2.683 -23.038 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.195 3.016 -23.674 1.00 0.00 H new ATOM 351 N ALA A 35 11.675 7.324 -22.477 1.00 0.00 N ATOM 352 CA ALA A 35 12.121 8.635 -22.036 1.00 0.00 C ATOM 353 C ALA A 35 11.708 9.683 -23.070 1.00 0.00 C ATOM 354 O ALA A 35 12.437 9.937 -24.028 1.00 0.00 O ATOM 355 CB ALA A 35 13.633 8.609 -21.804 1.00 0.00 C ATOM 0 H ALA A 35 12.088 7.005 -23.354 1.00 0.00 H new ATOM 0 HA ALA A 35 11.651 8.902 -21.090 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.967 9.592 -21.473 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.871 7.869 -21.040 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.139 8.347 -22.733 1.00 0.00 H new TER 361 ALA A 35 ATOM 362 N THR B 12 -8.230 -0.352 -18.477 1.00 0.00 N ATOM 363 CA THR B 12 -9.389 -0.953 -17.838 1.00 0.00 C ATOM 364 C THR B 12 -9.001 -2.264 -17.152 1.00 0.00 C ATOM 365 O THR B 12 -8.033 -2.912 -17.546 1.00 0.00 O ATOM 366 CB THR B 12 -10.479 -1.120 -18.898 1.00 0.00 C ATOM 367 OG1 THR B 12 -11.021 0.189 -19.051 1.00 0.00 O ATOM 368 CG2 THR B 12 -11.658 -1.957 -18.398 1.00 0.00 C ATOM 0 HA THR B 12 -9.780 -0.314 -17.047 1.00 0.00 H new ATOM 0 HB THR B 12 -10.053 -1.588 -19.786 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.321 0.854 -18.884 1.00 0.00 H new ATOM 0 HG21 THR B 12 -12.403 -2.045 -19.189 1.00 0.00 H new ATOM 0 HG22 THR B 12 -11.307 -2.950 -18.119 1.00 0.00 H new ATOM 0 HG23 THR B 12 -12.106 -1.473 -17.530 1.00 0.00 H new ATOM 376 N ALA B 13 -9.776 -2.615 -16.137 1.00 0.00 N ATOM 377 CA ALA B 13 -9.526 -3.837 -15.392 1.00 0.00 C ATOM 378 C ALA B 13 -10.744 -4.756 -15.504 1.00 0.00 C ATOM 379 O ALA B 13 -11.658 -4.683 -14.685 1.00 0.00 O ATOM 380 CB ALA B 13 -9.188 -3.491 -13.940 1.00 0.00 C ATOM 0 H ALA B 13 -10.578 -2.074 -15.813 1.00 0.00 H new ATOM 0 HA ALA B 13 -8.671 -4.371 -15.807 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -9.001 -4.408 -13.382 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -8.298 -2.862 -13.914 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -10.024 -2.956 -13.489 1.00 0.00 H new ATOM 386 N LEU B 14 -10.716 -5.601 -16.525 1.00 0.00 N ATOM 387 CA LEU B 14 -11.807 -6.533 -16.755 1.00 0.00 C ATOM 388 C LEU B 14 -11.259 -7.961 -16.757 1.00 0.00 C ATOM 389 O LEU B 14 -10.047 -8.165 -16.813 1.00 0.00 O ATOM 390 CB LEU B 14 -12.567 -6.164 -18.030 1.00 0.00 C ATOM 391 CG LEU B 14 -14.078 -6.409 -18.005 1.00 0.00 C ATOM 392 CD1 LEU B 14 -14.761 -5.520 -16.964 1.00 0.00 C ATOM 393 CD2 LEU B 14 -14.684 -6.233 -19.398 1.00 0.00 C ATOM 0 H LEU B 14 -9.955 -5.659 -17.202 1.00 0.00 H new ATOM 0 HA LEU B 14 -12.537 -6.472 -15.948 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -12.393 -5.109 -18.240 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -12.141 -6.728 -18.859 1.00 0.00 H new ATOM 0 HG LEU B 14 -14.252 -7.443 -17.707 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -15.834 -5.714 -16.967 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -14.355 -5.739 -15.976 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -14.581 -4.472 -17.206 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -15.758 -6.413 -19.353 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -14.500 -5.218 -19.749 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -14.226 -6.943 -20.086 1.00 0.00 H new ATOM 404 N ASN B 15 -12.178 -8.914 -16.694 1.00 0.00 N ATOM 405 CA ASN B 15 -11.802 -10.317 -16.689 1.00 0.00 C ATOM 406 C ASN B 15 -12.278 -10.973 -17.986 1.00 0.00 C ATOM 407 O ASN B 15 -13.442 -10.843 -18.361 1.00 0.00 O ATOM 408 CB ASN B 15 -12.453 -11.057 -15.518 1.00 0.00 C ATOM 409 CG ASN B 15 -12.130 -12.551 -15.567 1.00 0.00 C ATOM 410 OD1 ASN B 15 -11.034 -12.965 -15.907 1.00 0.00 O ATOM 411 ND2 ASN B 15 -13.142 -13.336 -15.208 1.00 0.00 N ATOM 0 H ASN B 15 -13.182 -8.741 -16.646 1.00 0.00 H new ATOM 0 HA ASN B 15 -10.718 -10.375 -16.595 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -12.101 -10.636 -14.576 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -13.533 -10.914 -15.548 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -13.026 -14.349 -15.207 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -14.034 -12.925 -14.934 1.00 0.00 H new ATOM 417 N THR B 16 -11.352 -11.664 -18.636 1.00 0.00 N ATOM 418 CA THR B 16 -11.662 -12.341 -19.884 1.00 0.00 C ATOM 419 C THR B 16 -11.552 -13.856 -19.711 1.00 0.00 C ATOM 420 O THR B 16 -10.564 -14.462 -20.124 1.00 0.00 O ATOM 421 CB THR B 16 -10.736 -11.784 -20.967 1.00 0.00 C ATOM 422 OG1 THR B 16 -11.247 -10.478 -21.223 1.00 0.00 O ATOM 423 CG2 THR B 16 -10.891 -12.513 -22.302 1.00 0.00 C ATOM 0 H THR B 16 -10.387 -11.769 -18.322 1.00 0.00 H new ATOM 0 HA THR B 16 -12.692 -12.155 -20.189 1.00 0.00 H new ATOM 0 HB THR B 16 -9.701 -11.857 -20.632 1.00 0.00 H new ATOM 0 HG1 THR B 16 -10.703 -10.044 -21.913 1.00 0.00 H new ATOM 0 HG21 THR B 16 -10.211 -12.078 -23.035 1.00 0.00 H new ATOM 0 HG22 THR B 16 -10.655 -13.569 -22.170 1.00 0.00 H new ATOM 0 HG23 THR B 16 -11.918 -12.412 -22.654 1.00 0.00 H new HETATM 431 N DPR B 17 -12.606 -14.442 -19.081 1.00 0.00 N HETATM 432 CA DPR B 17 -12.637 -15.875 -18.848 1.00 0.00 C HETATM 433 CB DPR B 17 -14.093 -16.194 -18.552 1.00 0.00 C HETATM 434 CG DPR B 17 -14.741 -14.873 -18.173 1.00 0.00 C HETATM 435 CD DPR B 17 -13.793 -13.756 -18.578 1.00 0.00 C HETATM 436 C DPR B 17 -11.695 -16.265 -17.707 1.00 0.00 C HETATM 437 O DPR B 17 -11.815 -15.752 -16.595 1.00 0.00 O HETATM 0 HG3 DPR B 17 -15.701 -14.760 -18.677 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -14.937 -14.838 -17.101 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -13.551 -13.115 -17.730 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -14.236 -13.118 -19.343 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -14.581 -16.633 -19.422 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -14.177 -16.917 -17.741 1.00 0.00 H new HETATM 0 HA DPR B 17 -12.284 -16.449 -19.705 1.00 0.00 H new ATOM 445 N ALA B 18 -10.779 -17.170 -18.021 1.00 0.00 N ATOM 446 CA ALA B 18 -9.818 -17.634 -17.036 1.00 0.00 C ATOM 447 C ALA B 18 -8.762 -16.550 -16.809 1.00 0.00 C ATOM 448 O ALA B 18 -8.615 -16.045 -15.697 1.00 0.00 O ATOM 449 CB ALA B 18 -9.205 -18.957 -17.503 1.00 0.00 C ATOM 0 H ALA B 18 -10.683 -17.594 -18.944 1.00 0.00 H new ATOM 0 HA ALA B 18 -10.308 -17.821 -16.081 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -8.484 -19.305 -16.763 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -9.992 -19.702 -17.620 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -8.702 -18.808 -18.458 1.00 0.00 H new ATOM 455 N VAL B 19 -8.054 -16.225 -17.881 1.00 0.00 N ATOM 456 CA VAL B 19 -7.016 -15.211 -17.813 1.00 0.00 C ATOM 457 C VAL B 19 -7.600 -13.862 -18.239 1.00 0.00 C ATOM 458 O VAL B 19 -8.456 -13.802 -19.120 1.00 0.00 O ATOM 459 CB VAL B 19 -5.814 -15.636 -18.657 1.00 0.00 C ATOM 460 CG1 VAL B 19 -6.150 -15.597 -20.150 1.00 0.00 C ATOM 461 CG2 VAL B 19 -4.593 -14.767 -18.348 1.00 0.00 C ATOM 0 H VAL B 19 -8.179 -16.646 -18.801 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.655 -15.101 -16.791 1.00 0.00 H new ATOM 0 HB VAL B 19 -5.569 -16.665 -18.396 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -5.278 -15.904 -20.727 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -6.978 -16.276 -20.355 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.434 -14.583 -20.433 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -3.752 -15.090 -18.961 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.823 -13.725 -18.568 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.333 -14.867 -17.294 1.00 0.00 H new ATOM 471 N GLN B 20 -7.112 -12.812 -17.594 1.00 0.00 N ATOM 472 CA GLN B 20 -7.573 -11.468 -17.894 1.00 0.00 C ATOM 473 C GLN B 20 -6.412 -10.606 -18.392 1.00 0.00 C ATOM 474 O GLN B 20 -5.252 -11.002 -18.289 1.00 0.00 O ATOM 475 CB GLN B 20 -8.245 -10.833 -16.675 1.00 0.00 C ATOM 476 CG GLN B 20 -7.216 -10.507 -15.591 1.00 0.00 C ATOM 477 CD GLN B 20 -7.531 -11.254 -14.293 1.00 0.00 C ATOM 478 OE1 GLN B 20 -8.486 -10.960 -13.594 1.00 0.00 O ATOM 479 NE2 GLN B 20 -6.677 -12.234 -14.013 1.00 0.00 N ATOM 0 H GLN B 20 -6.401 -12.866 -16.864 1.00 0.00 H new ATOM 0 HA GLN B 20 -8.319 -11.530 -18.687 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -8.764 -9.923 -16.974 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -8.998 -11.512 -16.275 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -6.219 -10.778 -15.938 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -7.207 -9.433 -15.404 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -5.898 -12.427 -14.642 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -6.801 -12.793 -13.169 1.00 0.00 H new ATOM 486 N LYS B 21 -6.763 -9.444 -18.921 1.00 0.00 N ATOM 487 CA LYS B 21 -5.764 -8.522 -19.435 1.00 0.00 C ATOM 488 C LYS B 21 -5.895 -7.179 -18.713 1.00 0.00 C ATOM 489 O LYS B 21 -7.005 -6.697 -18.489 1.00 0.00 O ATOM 490 CB LYS B 21 -5.866 -8.415 -20.957 1.00 0.00 C ATOM 491 CG LYS B 21 -4.485 -8.221 -21.588 1.00 0.00 C ATOM 492 CD LYS B 21 -4.258 -9.215 -22.728 1.00 0.00 C ATOM 493 CE LYS B 21 -4.380 -8.526 -24.089 1.00 0.00 C ATOM 494 NZ LYS B 21 -3.088 -7.916 -24.477 1.00 0.00 N ATOM 0 H LYS B 21 -7.726 -9.119 -19.005 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.761 -8.896 -19.232 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -6.329 -9.316 -21.358 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -6.512 -7.579 -21.224 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -4.394 -7.203 -21.965 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.713 -8.350 -20.829 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.270 -9.665 -22.632 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.985 -10.024 -22.660 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -4.689 -9.250 -24.843 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -5.153 -7.759 -24.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.212 -7.367 -25.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.759 -7.287 -23.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.384 -8.665 -24.635 1.00 0.00 H new ATOM 503 N TRP B 22 -4.748 -6.614 -18.370 1.00 0.00 N ATOM 504 CA TRP B 22 -4.721 -5.336 -17.678 1.00 0.00 C ATOM 505 C TRP B 22 -3.936 -4.347 -18.543 1.00 0.00 C ATOM 506 O TRP B 22 -2.939 -4.713 -19.161 1.00 0.00 O ATOM 507 CB TRP B 22 -4.144 -5.486 -16.270 1.00 0.00 C ATOM 508 CG TRP B 22 -4.676 -6.700 -15.506 1.00 0.00 C ATOM 509 CD1 TRP B 22 -4.352 -7.989 -15.676 1.00 0.00 C ATOM 510 CD2 TRP B 22 -5.646 -6.687 -14.437 1.00 0.00 C ATOM 511 NE1 TRP B 22 -5.039 -8.804 -14.800 1.00 0.00 N ATOM 512 CE2 TRP B 22 -5.851 -7.987 -14.021 1.00 0.00 C ATOM 513 CE3 TRP B 22 -6.327 -5.611 -13.840 1.00 0.00 C ATOM 514 CZ2 TRP B 22 -6.736 -8.333 -12.993 1.00 0.00 C ATOM 515 CZ3 TRP B 22 -7.208 -5.974 -12.814 1.00 0.00 C ATOM 516 CH2 TRP B 22 -7.425 -7.278 -12.385 1.00 0.00 C ATOM 0 H TRP B 22 -3.830 -7.017 -18.558 1.00 0.00 H new ATOM 0 HA TRP B 22 -5.732 -4.952 -17.538 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -3.059 -5.560 -16.339 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -4.366 -4.584 -15.699 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -3.642 -8.345 -16.407 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -4.965 -9.819 -14.736 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -6.182 -4.586 -14.148 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.879 -9.359 -12.686 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -7.757 -5.185 -12.321 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -8.123 -7.476 -11.585 1.00 0.00 H new ATOM 526 N HIS B 23 -4.419 -3.112 -18.559 1.00 0.00 N ATOM 527 CA HIS B 23 -3.774 -2.068 -19.337 1.00 0.00 C ATOM 528 C HIS B 23 -3.534 -0.843 -18.453 1.00 0.00 C ATOM 529 O HIS B 23 -4.477 -0.143 -18.085 1.00 0.00 O ATOM 530 CB HIS B 23 -4.590 -1.744 -20.590 1.00 0.00 C ATOM 531 CG HIS B 23 -3.787 -1.770 -21.870 1.00 0.00 C ATOM 532 ND1 HIS B 23 -3.877 -2.800 -22.789 1.00 0.00 N ATOM 533 CD2 HIS B 23 -2.881 -0.882 -22.371 1.00 0.00 C ATOM 534 CE1 HIS B 23 -3.056 -2.534 -23.795 1.00 0.00 C ATOM 535 NE2 HIS B 23 -2.440 -1.346 -23.535 1.00 0.00 N ATOM 0 H HIS B 23 -5.248 -2.812 -18.046 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.802 -2.417 -19.686 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.409 -2.458 -20.672 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -5.038 -0.757 -20.474 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -2.574 0.041 -21.901 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -2.902 -3.151 -24.668 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -1.754 -0.889 -24.135 1.00 0.00 H new ATOM 542 N PHE B 24 -2.267 -0.620 -18.138 1.00 0.00 N ATOM 543 CA PHE B 24 -1.890 0.509 -17.303 1.00 0.00 C ATOM 544 C PHE B 24 -0.862 1.394 -18.011 1.00 0.00 C ATOM 545 O PHE B 24 0.341 1.163 -17.902 1.00 0.00 O ATOM 546 CB PHE B 24 -1.263 -0.064 -16.032 1.00 0.00 C ATOM 547 CG PHE B 24 -0.824 0.997 -15.021 1.00 0.00 C ATOM 548 CD1 PHE B 24 -1.745 1.589 -14.213 1.00 0.00 C ATOM 549 CD2 PHE B 24 0.486 1.349 -14.930 1.00 0.00 C ATOM 550 CE1 PHE B 24 -1.338 2.574 -13.275 1.00 0.00 C ATOM 551 CE2 PHE B 24 0.893 2.335 -13.992 1.00 0.00 C ATOM 552 CZ PHE B 24 -0.027 2.926 -13.184 1.00 0.00 C ATOM 0 H PHE B 24 -1.488 -1.202 -18.446 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.766 1.119 -17.084 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.980 -0.731 -15.554 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.399 -0.669 -16.306 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.786 1.310 -14.285 1.00 0.00 H new ATOM 0 HD2 PHE B 24 1.217 0.879 -15.571 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.069 3.044 -12.634 1.00 0.00 H new ATOM 0 HE2 PHE B 24 1.934 2.615 -13.921 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.283 3.675 -12.470 1.00 0.00 H new ATOM 561 N VAL B 25 -1.374 2.390 -18.719 1.00 0.00 N ATOM 562 CA VAL B 25 -0.514 3.311 -19.444 1.00 0.00 C ATOM 563 C VAL B 25 -0.645 4.709 -18.835 1.00 0.00 C ATOM 564 O VAL B 25 -1.738 5.272 -18.794 1.00 0.00 O ATOM 565 CB VAL B 25 -0.849 3.275 -20.936 1.00 0.00 C ATOM 566 CG1 VAL B 25 -2.262 3.801 -21.194 1.00 0.00 C ATOM 567 CG2 VAL B 25 0.184 4.057 -21.749 1.00 0.00 C ATOM 0 H VAL B 25 -2.372 2.580 -18.806 1.00 0.00 H new ATOM 0 HA VAL B 25 0.530 3.012 -19.352 1.00 0.00 H new ATOM 0 HB VAL B 25 -0.814 2.235 -21.262 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -2.474 3.764 -22.262 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.983 3.183 -20.659 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -2.336 4.831 -20.844 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -0.078 4.015 -22.806 1.00 0.00 H new ATOM 0 HG22 VAL B 25 0.196 5.096 -21.419 1.00 0.00 H new ATOM 0 HG23 VAL B 25 1.171 3.618 -21.602 1.00 0.00 H new ATOM 577 N LEU B 26 0.485 5.229 -18.378 1.00 0.00 N ATOM 578 CA LEU B 26 0.510 6.550 -17.775 1.00 0.00 C ATOM 579 C LEU B 26 1.423 7.463 -18.596 1.00 0.00 C ATOM 580 O LEU B 26 2.529 7.787 -18.169 1.00 0.00 O ATOM 581 CB LEU B 26 0.901 6.456 -16.298 1.00 0.00 C ATOM 582 CG LEU B 26 -0.256 6.342 -15.304 1.00 0.00 C ATOM 583 CD1 LEU B 26 -1.031 7.658 -15.211 1.00 0.00 C ATOM 584 CD2 LEU B 26 -1.167 5.164 -15.655 1.00 0.00 C ATOM 0 H LEU B 26 1.390 4.759 -18.413 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.485 6.996 -17.791 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.551 5.591 -16.169 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.489 7.337 -16.041 1.00 0.00 H new ATOM 0 HG LEU B 26 0.161 6.143 -14.317 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.848 7.549 -14.498 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.362 8.452 -14.878 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.436 7.912 -16.191 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.981 5.106 -14.933 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.578 5.307 -16.654 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.592 4.239 -15.629 1.00 0.00 H new HETATM 595 N DPR B 27 0.911 7.865 -19.790 1.00 0.00 N HETATM 596 CA DPR B 27 1.666 8.734 -20.675 1.00 0.00 C HETATM 597 CB DPR B 27 0.640 9.299 -21.642 1.00 0.00 C HETATM 598 CG DPR B 27 -0.564 8.375 -21.560 1.00 0.00 C HETATM 599 CD DPR B 27 -0.397 7.502 -20.327 1.00 0.00 C HETATM 600 C DPR B 27 2.787 7.964 -21.375 1.00 0.00 C HETATM 601 O DPR B 27 2.530 7.170 -22.277 1.00 0.00 O HETATM 0 HG3 DPR B 27 -1.486 8.953 -21.496 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -0.635 7.760 -22.457 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -0.440 6.443 -20.583 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -1.188 7.687 -19.601 1.00 0.00 H new HETATM 0 HB3 DPR B 27 0.368 10.319 -21.371 1.00 0.00 H new HETATM 0 HB2 DPR B 27 1.037 9.334 -22.656 1.00 0.00 H new HETATM 0 HA DPR B 27 2.175 9.537 -20.142 1.00 0.00 H new ATOM 609 N GLY B 28 4.008 8.227 -20.932 1.00 0.00 N ATOM 610 CA GLY B 28 5.170 7.568 -21.505 1.00 0.00 C ATOM 611 C GLY B 28 5.337 6.158 -20.935 1.00 0.00 C ATOM 612 O GLY B 28 5.824 5.261 -21.622 1.00 0.00 O ATOM 0 H GLY B 28 4.218 8.887 -20.183 1.00 0.00 H new ATOM 0 HA2 GLY B 28 5.066 7.516 -22.589 1.00 0.00 H new ATOM 0 HA3 GLY B 28 6.064 8.156 -21.299 1.00 0.00 H new ATOM 616 N TYR B 29 4.925 6.007 -19.685 1.00 0.00 N ATOM 617 CA TYR B 29 5.022 4.722 -19.015 1.00 0.00 C ATOM 618 C TYR B 29 3.993 3.734 -19.569 1.00 0.00 C ATOM 619 O TYR B 29 2.800 3.863 -19.305 1.00 0.00 O ATOM 620 CB TYR B 29 4.713 4.989 -17.541 1.00 0.00 C ATOM 621 CG TYR B 29 5.946 5.302 -16.692 1.00 0.00 C ATOM 622 CD1 TYR B 29 6.753 6.375 -17.016 1.00 0.00 C ATOM 623 CD2 TYR B 29 6.253 4.513 -15.602 1.00 0.00 C ATOM 624 CE1 TYR B 29 7.914 6.669 -16.218 1.00 0.00 C ATOM 625 CE2 TYR B 29 7.413 4.808 -14.804 1.00 0.00 C ATOM 626 CZ TYR B 29 8.187 5.872 -15.150 1.00 0.00 C ATOM 627 OH TYR B 29 9.284 6.150 -14.396 1.00 0.00 O ATOM 0 H TYR B 29 4.523 6.754 -19.119 1.00 0.00 H new ATOM 0 HA TYR B 29 6.011 4.287 -19.162 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.016 5.824 -17.472 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.209 4.118 -17.123 1.00 0.00 H new ATOM 0 HD1 TYR B 29 6.513 6.993 -17.868 1.00 0.00 H new ATOM 0 HD2 TYR B 29 5.622 3.674 -15.348 1.00 0.00 H new ATOM 0 HE1 TYR B 29 8.554 7.504 -16.462 1.00 0.00 H new ATOM 0 HE2 TYR B 29 7.664 4.198 -13.949 1.00 0.00 H new ATOM 0 HH TYR B 29 9.353 5.499 -13.667 1.00 0.00 H new ATOM 636 N LYS B 30 4.495 2.770 -20.328 1.00 0.00 N ATOM 637 CA LYS B 30 3.634 1.761 -20.922 1.00 0.00 C ATOM 638 C LYS B 30 4.013 0.385 -20.371 1.00 0.00 C ATOM 639 O LYS B 30 4.938 -0.253 -20.871 1.00 0.00 O ATOM 640 CB LYS B 30 3.681 1.847 -22.449 1.00 0.00 C ATOM 641 CG LYS B 30 2.532 1.058 -23.078 1.00 0.00 C ATOM 642 CD LYS B 30 2.104 1.680 -24.409 1.00 0.00 C ATOM 643 CE LYS B 30 0.590 1.576 -24.601 1.00 0.00 C ATOM 644 NZ LYS B 30 0.268 1.242 -26.007 1.00 0.00 N ATOM 0 H LYS B 30 5.486 2.667 -20.545 1.00 0.00 H new ATOM 0 HA LYS B 30 2.594 1.939 -20.648 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.624 2.890 -22.760 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.634 1.459 -22.810 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.840 0.025 -23.238 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.684 1.036 -22.394 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.407 2.727 -24.439 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.614 1.177 -25.230 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.185 0.812 -23.937 1.00 0.00 H new ATOM 0 HE3 LYS B 30 0.117 2.519 -24.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -0.764 1.175 -26.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 0.638 1.985 -26.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.703 0.331 -26.256 1.00 0.00 H new ATOM 653 N CYS B 31 3.280 -0.031 -19.350 1.00 0.00 N ATOM 654 CA CYS B 31 3.528 -1.321 -18.727 1.00 0.00 C ATOM 655 C CYS B 31 2.258 -2.165 -18.847 1.00 0.00 C ATOM 656 O CYS B 31 1.167 -1.703 -18.517 1.00 0.00 O ATOM 657 CB CYS B 31 3.977 -1.168 -17.272 1.00 0.00 C ATOM 658 SG CYS B 31 5.363 -0.003 -17.014 1.00 0.00 S ATOM 0 H CYS B 31 2.514 0.502 -18.938 1.00 0.00 H new ATOM 0 HA CYS B 31 4.347 -1.825 -19.241 1.00 0.00 H new ATOM 0 HB2 CYS B 31 3.126 -0.836 -16.677 1.00 0.00 H new ATOM 0 HB3 CYS B 31 4.269 -2.147 -16.892 1.00 0.00 H new ATOM 662 N GLU B 32 2.443 -3.389 -19.320 1.00 0.00 N ATOM 663 CA GLU B 32 1.325 -4.302 -19.488 1.00 0.00 C ATOM 664 C GLU B 32 1.450 -5.479 -18.518 1.00 0.00 C ATOM 665 O GLU B 32 2.546 -5.993 -18.298 1.00 0.00 O ATOM 666 CB GLU B 32 1.230 -4.792 -20.935 1.00 0.00 C ATOM 667 CG GLU B 32 -0.179 -4.585 -21.493 1.00 0.00 C ATOM 668 CD GLU B 32 -0.237 -4.933 -22.982 1.00 0.00 C ATOM 669 OE1 GLU B 32 -0.891 -5.914 -23.365 1.00 0.00 O ATOM 670 OE2 GLU B 32 0.431 -4.142 -23.753 1.00 0.00 O ATOM 0 H GLU B 32 3.349 -3.769 -19.592 1.00 0.00 H new ATOM 0 HA GLU B 32 0.405 -3.764 -19.260 1.00 0.00 H new ATOM 0 HB2 GLU B 32 1.952 -4.257 -21.552 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.492 -5.849 -20.983 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.886 -5.206 -20.943 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.483 -3.549 -21.346 1.00 0.00 H new ATOM 676 N ILE B 33 0.313 -5.870 -17.964 1.00 0.00 N ATOM 677 CA ILE B 33 0.281 -6.975 -17.022 1.00 0.00 C ATOM 678 C ILE B 33 -0.558 -8.114 -17.606 1.00 0.00 C ATOM 679 O ILE B 33 -1.786 -8.063 -17.576 1.00 0.00 O ATOM 680 CB ILE B 33 -0.201 -6.498 -15.650 1.00 0.00 C ATOM 681 CG1 ILE B 33 0.788 -5.504 -15.037 1.00 0.00 C ATOM 682 CG2 ILE B 33 -0.472 -7.683 -14.721 1.00 0.00 C ATOM 683 CD1 ILE B 33 2.214 -6.058 -15.073 1.00 0.00 C ATOM 0 H ILE B 33 -0.594 -5.441 -18.149 1.00 0.00 H new ATOM 0 HA ILE B 33 1.285 -7.367 -16.862 1.00 0.00 H new ATOM 0 HB ILE B 33 -1.146 -5.972 -15.784 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.746 -4.561 -15.582 1.00 0.00 H new ATOM 0 HG13 ILE B 33 0.503 -5.290 -14.007 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.813 -7.316 -13.753 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.240 -8.320 -15.159 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.444 -8.258 -14.588 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.897 -5.333 -14.632 1.00 0.00 H new ATOM 0 HD12 ILE B 33 2.257 -6.988 -14.507 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.505 -6.248 -16.106 1.00 0.00 H new ATOM 694 N LEU B 34 0.139 -9.114 -18.124 1.00 0.00 N ATOM 695 CA LEU B 34 -0.527 -10.263 -18.715 1.00 0.00 C ATOM 696 C LEU B 34 -0.145 -11.524 -17.937 1.00 0.00 C ATOM 697 O LEU B 34 1.035 -11.777 -17.699 1.00 0.00 O ATOM 698 CB LEU B 34 -0.221 -10.349 -20.212 1.00 0.00 C ATOM 699 CG LEU B 34 1.201 -10.771 -20.584 1.00 0.00 C ATOM 700 CD1 LEU B 34 1.242 -11.383 -21.985 1.00 0.00 C ATOM 701 CD2 LEU B 34 2.176 -9.600 -20.440 1.00 0.00 C ATOM 0 H LEU B 34 1.158 -9.153 -18.147 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.609 -10.156 -18.640 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.918 -11.054 -20.665 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.418 -9.375 -20.659 1.00 0.00 H new ATOM 0 HG LEU B 34 1.522 -11.544 -19.886 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.265 -11.675 -22.225 1.00 0.00 H new ATOM 0 HD12 LEU B 34 0.597 -12.261 -22.017 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.894 -10.650 -22.713 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.180 -9.927 -20.711 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.869 -8.788 -21.099 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.174 -9.250 -19.408 1.00 0.00 H new ATOM 712 N ALA B 35 -1.165 -12.282 -17.562 1.00 0.00 N ATOM 713 CA ALA B 35 -0.951 -13.510 -16.817 1.00 0.00 C ATOM 714 C ALA B 35 -1.425 -14.700 -17.654 1.00 0.00 C ATOM 715 O ALA B 35 -0.991 -14.875 -18.791 1.00 0.00 O ATOM 716 CB ALA B 35 -1.670 -13.421 -15.469 1.00 0.00 C ATOM 0 H ALA B 35 -2.142 -12.069 -17.761 1.00 0.00 H new ATOM 0 HA ALA B 35 0.110 -13.654 -16.612 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -1.510 -14.343 -14.910 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -1.275 -12.578 -14.901 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -2.738 -13.278 -15.635 1.00 0.00 H new TER 722 ALA B 35