USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=9 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: A 23 HIS :FLIP no HD1:sc= -0.731 F(o=-1.3,f=-0.73) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 49:sc= 0.695 USER MOD Single : A 15 ASN : amide:sc=-0.000523 X(o=-0.00052,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 45:sc= 0.0585 USER MOD Single : B 15 ASN : amide:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.1) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS :FLIP no HD1:sc= -0.112 F(o=-0.88,f=-0.11) 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 21.352 -0.954 -14.621 1.00 0.00 N ATOM 2 CA THR A 12 19.928 -0.866 -14.893 1.00 0.00 C ATOM 3 C THR A 12 19.667 0.083 -16.066 1.00 0.00 C ATOM 4 O THR A 12 19.039 1.127 -15.896 1.00 0.00 O ATOM 5 CB THR A 12 19.225 -0.443 -13.601 1.00 0.00 C ATOM 6 OG1 THR A 12 17.838 -0.510 -13.923 1.00 0.00 O ATOM 7 CG2 THR A 12 19.458 1.030 -13.263 1.00 0.00 C ATOM 0 HA THR A 12 19.523 -1.831 -15.199 1.00 0.00 H new ATOM 0 HB THR A 12 19.576 -1.064 -12.777 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.643 -1.368 -14.354 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.938 1.278 -12.338 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.526 1.210 -13.138 1.00 0.00 H new ATOM 0 HG23 THR A 12 19.077 1.654 -14.072 1.00 0.00 H new ATOM 15 N ALA A 13 20.162 -0.314 -17.228 1.00 0.00 N ATOM 16 CA ALA A 13 19.990 0.487 -18.428 1.00 0.00 C ATOM 17 C ALA A 13 20.128 -0.410 -19.659 1.00 0.00 C ATOM 18 O ALA A 13 21.107 -1.143 -19.791 1.00 0.00 O ATOM 19 CB ALA A 13 21.003 1.634 -18.425 1.00 0.00 C ATOM 0 H ALA A 13 20.683 -1.180 -17.365 1.00 0.00 H new ATOM 0 HA ALA A 13 18.995 0.931 -18.454 1.00 0.00 H new ATOM 0 HB1 ALA A 13 20.874 2.235 -19.325 1.00 0.00 H new ATOM 0 HB2 ALA A 13 20.843 2.258 -17.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.014 1.227 -18.402 1.00 0.00 H new ATOM 25 N LEU A 14 19.134 -0.321 -20.531 1.00 0.00 N ATOM 26 CA LEU A 14 19.132 -1.116 -21.747 1.00 0.00 C ATOM 27 C LEU A 14 19.159 -0.184 -22.961 1.00 0.00 C ATOM 28 O LEU A 14 18.134 0.384 -23.334 1.00 0.00 O ATOM 29 CB LEU A 14 17.955 -2.092 -21.748 1.00 0.00 C ATOM 30 CG LEU A 14 18.273 -3.527 -22.175 1.00 0.00 C ATOM 31 CD1 LEU A 14 19.114 -3.545 -23.453 1.00 0.00 C ATOM 32 CD2 LEU A 14 18.943 -4.301 -21.037 1.00 0.00 C ATOM 0 H LEU A 14 18.325 0.290 -20.419 1.00 0.00 H new ATOM 0 HA LEU A 14 20.028 -1.734 -21.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.530 -2.118 -20.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.184 -1.699 -22.411 1.00 0.00 H new ATOM 0 HG LEU A 14 17.334 -4.033 -22.400 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.326 -4.576 -23.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.565 -3.055 -24.257 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.051 -3.016 -23.279 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.159 -5.318 -21.366 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.873 -3.805 -20.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.276 -4.332 -20.176 1.00 0.00 H new ATOM 43 N ASN A 15 20.342 -0.054 -23.542 1.00 0.00 N ATOM 44 CA ASN A 15 20.515 0.800 -24.704 1.00 0.00 C ATOM 45 C ASN A 15 19.848 0.146 -25.916 1.00 0.00 C ATOM 46 O ASN A 15 20.117 -1.014 -26.227 1.00 0.00 O ATOM 47 CB ASN A 15 21.998 0.994 -25.030 1.00 0.00 C ATOM 48 CG ASN A 15 22.344 2.480 -25.146 1.00 0.00 C ATOM 49 OD1 ASN A 15 22.035 3.140 -26.126 1.00 0.00 O ATOM 50 ND2 ASN A 15 22.999 2.967 -24.097 1.00 0.00 N ATOM 0 H ASN A 15 21.190 -0.526 -23.230 1.00 0.00 H new ATOM 0 HA ASN A 15 20.065 1.767 -24.481 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.608 0.535 -24.252 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.238 0.487 -25.965 1.00 0.00 H new ATOM 0 HD21 ASN A 15 23.275 3.949 -24.079 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.226 2.359 -23.310 1.00 0.00 H new ATOM 56 N THR A 16 18.989 0.917 -26.566 1.00 0.00 N ATOM 57 CA THR A 16 18.281 0.428 -27.737 1.00 0.00 C ATOM 58 C THR A 16 18.318 1.468 -28.857 1.00 0.00 C ATOM 59 O THR A 16 17.352 2.204 -29.059 1.00 0.00 O ATOM 60 CB THR A 16 16.862 0.048 -27.307 1.00 0.00 C ATOM 61 OG1 THR A 16 17.044 -1.099 -26.481 1.00 0.00 O ATOM 62 CG2 THR A 16 16.014 -0.462 -28.472 1.00 0.00 C ATOM 0 H THR A 16 18.767 1.877 -26.304 1.00 0.00 H new ATOM 0 HA THR A 16 18.762 -0.461 -28.147 1.00 0.00 H new ATOM 0 HB THR A 16 16.376 0.913 -26.856 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.173 -1.411 -26.157 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.017 -0.717 -28.112 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.937 0.314 -29.233 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.482 -1.347 -28.903 1.00 0.00 H new HETATM 70 N DPR A 17 19.472 1.499 -29.575 1.00 0.00 N HETATM 71 CA DPR A 17 19.648 2.438 -30.669 1.00 0.00 C HETATM 72 CB DPR A 17 20.816 1.890 -31.474 1.00 0.00 C HETATM 73 CG DPR A 17 21.544 0.929 -30.551 1.00 0.00 C HETATM 74 CD DPR A 17 20.637 0.645 -29.364 1.00 0.00 C HETATM 75 C DPR A 17 19.897 3.853 -30.144 1.00 0.00 C HETATM 76 O DPR A 17 20.411 4.028 -29.040 1.00 0.00 O HETATM 0 HG3 DPR A 17 21.786 0.005 -31.076 1.00 0.00 H new HETATM 0 HG2 DPR A 17 22.487 1.362 -30.216 1.00 0.00 H new HETATM 0 HD3 DPR A 17 21.133 0.878 -28.422 1.00 0.00 H new HETATM 0 HD2 DPR A 17 20.355 -0.407 -29.324 1.00 0.00 H new HETATM 0 HB3 DPR A 17 20.466 1.380 -32.372 1.00 0.00 H new HETATM 0 HB2 DPR A 17 21.476 2.693 -31.801 1.00 0.00 H new HETATM 0 HA DPR A 17 18.758 2.528 -31.292 1.00 0.00 H new ATOM 84 N ALA A 18 19.521 4.828 -30.959 1.00 0.00 N ATOM 85 CA ALA A 18 19.697 6.222 -30.590 1.00 0.00 C ATOM 86 C ALA A 18 18.988 6.487 -29.260 1.00 0.00 C ATOM 87 O ALA A 18 19.591 7.008 -28.323 1.00 0.00 O ATOM 88 CB ALA A 18 19.178 7.118 -31.716 1.00 0.00 C ATOM 0 H ALA A 18 19.095 4.680 -31.874 1.00 0.00 H new ATOM 0 HA ALA A 18 20.754 6.452 -30.452 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.310 8.164 -31.439 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.734 6.912 -32.631 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.120 6.918 -31.882 1.00 0.00 H new ATOM 94 N VAL A 19 17.716 6.115 -29.220 1.00 0.00 N ATOM 95 CA VAL A 19 16.918 6.306 -28.021 1.00 0.00 C ATOM 96 C VAL A 19 17.239 5.195 -27.018 1.00 0.00 C ATOM 97 O VAL A 19 17.706 4.124 -27.401 1.00 0.00 O ATOM 98 CB VAL A 19 15.434 6.372 -28.385 1.00 0.00 C ATOM 99 CG1 VAL A 19 15.114 7.659 -29.150 1.00 0.00 C ATOM 100 CG2 VAL A 19 15.010 5.139 -29.185 1.00 0.00 C ATOM 0 H VAL A 19 17.219 5.683 -29.999 1.00 0.00 H new ATOM 0 HA VAL A 19 17.164 7.255 -27.545 1.00 0.00 H new ATOM 0 HB VAL A 19 14.862 6.382 -27.457 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.053 7.681 -29.397 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.361 8.521 -28.531 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.701 7.692 -30.068 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.951 5.211 -29.431 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.593 5.084 -30.104 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.184 4.242 -28.591 1.00 0.00 H new ATOM 110 N GLN A 20 16.974 5.489 -25.754 1.00 0.00 N ATOM 111 CA GLN A 20 17.228 4.528 -24.694 1.00 0.00 C ATOM 112 C GLN A 20 15.909 3.982 -24.144 1.00 0.00 C ATOM 113 O GLN A 20 14.907 4.693 -24.107 1.00 0.00 O ATOM 114 CB GLN A 20 18.070 5.152 -23.579 1.00 0.00 C ATOM 115 CG GLN A 20 17.328 6.315 -22.917 1.00 0.00 C ATOM 116 CD GLN A 20 17.681 6.417 -21.432 1.00 0.00 C ATOM 117 OE1 GLN A 20 17.962 5.435 -20.766 1.00 0.00 O ATOM 118 NE2 GLN A 20 17.649 7.658 -20.952 1.00 0.00 N ATOM 0 H GLN A 20 16.586 6.379 -25.440 1.00 0.00 H new ATOM 0 HA GLN A 20 17.796 3.697 -25.113 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.308 4.395 -22.831 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.017 5.505 -23.988 1.00 0.00 H new ATOM 0 HG2 GLN A 20 17.584 7.248 -23.420 1.00 0.00 H new ATOM 0 HG3 GLN A 20 16.253 6.176 -23.030 1.00 0.00 H new ATOM 0 HE21 GLN A 20 17.405 8.436 -21.565 1.00 0.00 H new ATOM 0 HE22 GLN A 20 17.868 7.831 -19.971 1.00 0.00 H new ATOM 125 N LYS A 21 15.953 2.723 -23.733 1.00 0.00 N ATOM 126 CA LYS A 21 14.772 2.073 -23.188 1.00 0.00 C ATOM 127 C LYS A 21 15.192 1.126 -22.062 1.00 0.00 C ATOM 128 O LYS A 21 15.975 0.204 -22.281 1.00 0.00 O ATOM 129 CB LYS A 21 13.975 1.390 -24.301 1.00 0.00 C ATOM 130 CG LYS A 21 12.780 0.625 -23.728 1.00 0.00 C ATOM 131 CD LYS A 21 12.720 -0.798 -24.289 1.00 0.00 C ATOM 132 CE LYS A 21 13.816 -1.674 -23.677 1.00 0.00 C ATOM 133 NZ LYS A 21 13.623 -3.090 -24.065 1.00 0.00 N ATOM 0 H LYS A 21 16.787 2.136 -23.766 1.00 0.00 H new ATOM 0 HA LYS A 21 14.098 2.810 -22.751 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.626 2.137 -25.014 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.622 0.704 -24.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.854 0.588 -22.641 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.857 1.153 -23.967 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.743 -1.234 -24.082 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.834 -0.771 -25.373 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.795 -1.329 -24.011 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.799 -1.583 -22.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.374 -3.671 -23.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.697 -3.420 -23.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.662 -3.174 -25.101 1.00 0.00 H new ATOM 142 N TRP A 22 14.651 1.388 -20.881 1.00 0.00 N ATOM 143 CA TRP A 22 14.959 0.569 -19.720 1.00 0.00 C ATOM 144 C TRP A 22 13.894 -0.524 -19.615 1.00 0.00 C ATOM 145 O TRP A 22 12.698 -0.238 -19.673 1.00 0.00 O ATOM 146 CB TRP A 22 15.061 1.427 -18.457 1.00 0.00 C ATOM 147 CG TRP A 22 14.811 0.657 -17.159 1.00 0.00 C ATOM 148 CD1 TRP A 22 13.985 0.978 -16.155 1.00 0.00 C ATOM 149 CD2 TRP A 22 15.430 -0.586 -16.764 1.00 0.00 C ATOM 150 NE1 TRP A 22 14.026 0.038 -15.146 1.00 0.00 N ATOM 151 CE2 TRP A 22 14.932 -0.944 -15.528 1.00 0.00 C ATOM 152 CE3 TRP A 22 16.379 -1.382 -17.430 1.00 0.00 C ATOM 153 CZ2 TRP A 22 15.324 -2.105 -14.850 1.00 0.00 C ATOM 154 CZ3 TRP A 22 16.760 -2.539 -16.739 1.00 0.00 C ATOM 155 CH2 TRP A 22 16.268 -2.912 -15.494 1.00 0.00 C ATOM 0 H TRP A 22 14.002 2.155 -20.703 1.00 0.00 H new ATOM 0 HA TRP A 22 15.934 0.094 -19.831 1.00 0.00 H new ATOM 0 HB2 TRP A 22 16.053 1.877 -18.415 1.00 0.00 H new ATOM 0 HB3 TRP A 22 14.343 2.244 -18.527 1.00 0.00 H new ATOM 0 HD1 TRP A 22 13.365 1.862 -16.137 1.00 0.00 H new ATOM 0 HE1 TRP A 22 13.490 0.060 -14.279 1.00 0.00 H new ATOM 0 HE3 TRP A 22 16.782 -1.122 -18.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.919 -2.363 -13.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 17.487 -3.187 -17.206 1.00 0.00 H new ATOM 0 HH2 TRP A 22 16.613 -3.822 -15.025 1.00 0.00 H new ATOM 165 N HIS A 23 14.366 -1.752 -19.463 1.00 0.00 N ATOM 166 CA HIS A 23 13.470 -2.890 -19.351 1.00 0.00 C ATOM 167 C HIS A 23 13.253 -3.228 -17.874 1.00 0.00 C ATOM 168 O HIS A 23 14.214 -3.435 -17.134 1.00 0.00 O ATOM 169 CB HIS A 23 13.992 -4.078 -20.160 1.00 0.00 C ATOM 170 CG HIS A 23 12.906 -4.953 -20.738 1.00 0.00 C ATOM 171 ND1 HIS A 23 11.588 -5.070 -20.411 1.00 0.00 N flip ATOM 172 CD2 HIS A 23 13.132 -5.840 -21.776 1.00 0.00 C flip ATOM 173 CE1 HIS A 23 11.037 -5.978 -21.207 1.00 0.00 C flip ATOM 174 NE2 HIS A 23 11.993 -6.458 -22.053 1.00 0.00 N flip ATOM 0 H HIS A 23 15.358 -1.984 -19.415 1.00 0.00 H new ATOM 0 HA HIS A 23 12.500 -2.635 -19.777 1.00 0.00 H new ATOM 0 HB2 HIS A 23 14.615 -3.705 -20.973 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.632 -4.686 -19.521 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.076 -6.001 -22.275 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.002 -6.286 -21.188 1.00 0.00 H new ATOM 0 HE2 HIS A 23 11.855 -7.168 -22.772 1.00 0.00 H new ATOM 181 N PHE A 24 11.986 -3.274 -17.490 1.00 0.00 N ATOM 182 CA PHE A 24 11.632 -3.585 -16.115 1.00 0.00 C ATOM 183 C PHE A 24 10.830 -4.885 -16.035 1.00 0.00 C ATOM 184 O PHE A 24 9.600 -4.860 -16.000 1.00 0.00 O ATOM 185 CB PHE A 24 10.765 -2.432 -15.606 1.00 0.00 C ATOM 186 CG PHE A 24 10.367 -2.556 -14.134 1.00 0.00 C ATOM 187 CD1 PHE A 24 11.311 -2.834 -13.195 1.00 0.00 C ATOM 188 CD2 PHE A 24 9.069 -2.387 -13.763 1.00 0.00 C ATOM 189 CE1 PHE A 24 10.942 -2.949 -11.829 1.00 0.00 C ATOM 190 CE2 PHE A 24 8.700 -2.502 -12.396 1.00 0.00 C ATOM 191 CZ PHE A 24 9.644 -2.780 -11.459 1.00 0.00 C ATOM 0 H PHE A 24 11.192 -3.101 -18.106 1.00 0.00 H new ATOM 0 HA PHE A 24 12.535 -3.710 -15.517 1.00 0.00 H new ATOM 0 HB2 PHE A 24 11.304 -1.495 -15.748 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.861 -2.375 -16.213 1.00 0.00 H new ATOM 0 HD1 PHE A 24 12.342 -2.967 -13.489 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.319 -2.165 -14.508 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.692 -3.171 -11.084 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.670 -2.369 -12.102 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.364 -2.867 -10.420 1.00 0.00 H new ATOM 200 N VAL A 25 11.558 -5.991 -16.008 1.00 0.00 N ATOM 201 CA VAL A 25 10.931 -7.300 -15.934 1.00 0.00 C ATOM 202 C VAL A 25 11.051 -7.838 -14.507 1.00 0.00 C ATOM 203 O VAL A 25 12.143 -8.187 -14.061 1.00 0.00 O ATOM 204 CB VAL A 25 11.542 -8.234 -16.979 1.00 0.00 C ATOM 205 CG1 VAL A 25 11.190 -7.777 -18.396 1.00 0.00 C ATOM 206 CG2 VAL A 25 13.057 -8.343 -16.798 1.00 0.00 C ATOM 0 H VAL A 25 12.577 -6.008 -16.036 1.00 0.00 H new ATOM 0 HA VAL A 25 9.868 -7.228 -16.166 1.00 0.00 H new ATOM 0 HB VAL A 25 11.115 -9.226 -16.832 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.637 -8.459 -19.120 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.107 -7.776 -18.519 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.575 -6.770 -18.560 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.466 -9.013 -17.554 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.508 -7.357 -16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.277 -8.737 -15.806 1.00 0.00 H new ATOM 216 N LEU A 26 9.914 -7.888 -13.829 1.00 0.00 N ATOM 217 CA LEU A 26 9.879 -8.378 -12.461 1.00 0.00 C ATOM 218 C LEU A 26 8.525 -9.038 -12.195 1.00 0.00 C ATOM 219 O LEU A 26 7.505 -8.609 -12.732 1.00 0.00 O ATOM 220 CB LEU A 26 10.219 -7.254 -11.481 1.00 0.00 C ATOM 221 CG LEU A 26 9.119 -6.218 -11.241 1.00 0.00 C ATOM 222 CD1 LEU A 26 8.568 -5.687 -12.566 1.00 0.00 C ATOM 223 CD2 LEU A 26 8.015 -6.786 -10.347 1.00 0.00 C ATOM 0 H LEU A 26 9.010 -7.597 -14.201 1.00 0.00 H new ATOM 0 HA LEU A 26 10.641 -9.142 -12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.484 -7.702 -10.523 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.105 -6.736 -11.847 1.00 0.00 H new ATOM 0 HG LEU A 26 9.557 -5.372 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.788 -4.952 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.372 -5.218 -13.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.151 -6.512 -13.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.246 -6.029 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.573 -7.660 -10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.438 -7.075 -9.385 1.00 0.00 H new HETATM 234 N DPR A 27 8.559 -10.097 -11.343 1.00 0.00 N HETATM 235 CA DPR A 27 7.347 -10.820 -10.999 1.00 0.00 C HETATM 236 CB DPR A 27 7.697 -11.600 -9.742 1.00 0.00 C HETATM 237 CG DPR A 27 9.215 -11.652 -9.692 1.00 0.00 C HETATM 238 CD DPR A 27 9.748 -10.633 -10.688 1.00 0.00 C HETATM 239 C DPR A 27 6.897 -11.718 -12.153 1.00 0.00 C HETATM 240 O DPR A 27 7.473 -12.782 -12.378 1.00 0.00 O HETATM 0 HG3 DPR A 27 9.572 -11.427 -8.687 1.00 0.00 H new HETATM 0 HG2 DPR A 27 9.571 -12.652 -9.940 1.00 0.00 H new HETATM 0 HD3 DPR A 27 10.421 -11.098 -11.408 1.00 0.00 H new HETATM 0 HD2 DPR A 27 10.312 -9.847 -10.186 1.00 0.00 H new HETATM 0 HB3 DPR A 27 7.294 -11.112 -8.855 1.00 0.00 H new HETATM 0 HB2 DPR A 27 7.273 -12.604 -9.774 1.00 0.00 H new HETATM 0 HA DPR A 27 6.500 -10.158 -10.818 1.00 0.00 H new ATOM 248 N GLY A 28 5.872 -11.257 -12.855 1.00 0.00 N ATOM 249 CA GLY A 28 5.338 -12.005 -13.980 1.00 0.00 C ATOM 250 C GLY A 28 4.685 -11.070 -15.000 1.00 0.00 C ATOM 251 O GLY A 28 3.697 -11.434 -15.638 1.00 0.00 O ATOM 0 H GLY A 28 5.397 -10.374 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.138 -12.569 -14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.606 -12.730 -13.625 1.00 0.00 H new ATOM 255 N TYR A 29 5.260 -9.883 -15.122 1.00 0.00 N ATOM 256 CA TYR A 29 4.746 -8.894 -16.053 1.00 0.00 C ATOM 257 C TYR A 29 5.876 -8.284 -16.884 1.00 0.00 C ATOM 258 O TYR A 29 7.034 -8.300 -16.470 1.00 0.00 O ATOM 259 CB TYR A 29 4.112 -7.798 -15.194 1.00 0.00 C ATOM 260 CG TYR A 29 3.262 -8.327 -14.037 1.00 0.00 C ATOM 261 CD1 TYR A 29 2.339 -9.328 -14.260 1.00 0.00 C ATOM 262 CD2 TYR A 29 3.421 -7.804 -12.769 1.00 0.00 C ATOM 263 CE1 TYR A 29 1.539 -9.825 -13.170 1.00 0.00 C ATOM 264 CE2 TYR A 29 2.622 -8.302 -11.680 1.00 0.00 C ATOM 265 CZ TYR A 29 1.720 -9.289 -11.934 1.00 0.00 C ATOM 266 OH TYR A 29 0.965 -9.759 -10.905 1.00 0.00 O ATOM 0 H TYR A 29 6.078 -9.584 -14.591 1.00 0.00 H new ATOM 0 HA TYR A 29 4.036 -9.349 -16.743 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.902 -7.164 -14.791 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.490 -7.167 -15.829 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.216 -9.739 -15.251 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.145 -7.022 -12.594 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.811 -10.606 -13.331 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.736 -7.901 -10.684 1.00 0.00 H new ATOM 0 HH TYR A 29 1.203 -9.285 -10.081 1.00 0.00 H new ATOM 275 N LYS A 30 5.500 -7.760 -18.042 1.00 0.00 N ATOM 276 CA LYS A 30 6.467 -7.147 -18.935 1.00 0.00 C ATOM 277 C LYS A 30 6.123 -5.666 -19.113 1.00 0.00 C ATOM 278 O LYS A 30 5.161 -5.327 -19.800 1.00 0.00 O ATOM 279 CB LYS A 30 6.547 -7.921 -20.253 1.00 0.00 C ATOM 280 CG LYS A 30 7.775 -7.501 -21.062 1.00 0.00 C ATOM 281 CD LYS A 30 7.788 -8.182 -22.432 1.00 0.00 C ATOM 282 CE LYS A 30 7.846 -7.148 -23.558 1.00 0.00 C ATOM 283 NZ LYS A 30 9.215 -7.064 -24.115 1.00 0.00 N ATOM 0 H LYS A 30 4.538 -7.748 -18.382 1.00 0.00 H new ATOM 0 HA LYS A 30 7.467 -7.194 -18.503 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.590 -8.991 -20.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.644 -7.745 -20.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.778 -6.419 -21.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.681 -7.760 -20.515 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.647 -8.850 -22.502 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.896 -8.798 -22.544 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.143 -7.419 -24.345 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.540 -6.172 -23.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.342 -6.146 -24.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.909 -7.156 -23.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.357 -7.831 -24.803 1.00 0.00 H new ATOM 292 N CYS A 31 6.928 -4.825 -18.480 1.00 0.00 N ATOM 293 CA CYS A 31 6.721 -3.389 -18.559 1.00 0.00 C ATOM 294 C CYS A 31 7.927 -2.768 -19.267 1.00 0.00 C ATOM 295 O CYS A 31 9.043 -3.277 -19.162 1.00 0.00 O ATOM 296 CB CYS A 31 6.492 -2.774 -17.177 1.00 0.00 C ATOM 297 SG CYS A 31 6.582 -0.947 -17.126 1.00 0.00 S ATOM 0 H CYS A 31 7.724 -5.111 -17.910 1.00 0.00 H new ATOM 0 HA CYS A 31 5.817 -3.180 -19.132 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.513 -3.086 -16.814 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.232 -3.180 -16.487 1.00 0.00 H new ATOM 301 N GLU A 32 7.663 -1.678 -19.972 1.00 0.00 N ATOM 302 CA GLU A 32 8.713 -0.983 -20.698 1.00 0.00 C ATOM 303 C GLU A 32 8.561 0.530 -20.530 1.00 0.00 C ATOM 304 O GLU A 32 7.444 1.042 -20.462 1.00 0.00 O ATOM 305 CB GLU A 32 8.707 -1.373 -22.178 1.00 0.00 C ATOM 306 CG GLU A 32 8.866 -2.886 -22.347 1.00 0.00 C ATOM 307 CD GLU A 32 8.608 -3.305 -23.795 1.00 0.00 C ATOM 308 OE1 GLU A 32 7.546 -3.870 -24.096 1.00 0.00 O ATOM 309 OE2 GLU A 32 9.558 -3.025 -24.621 1.00 0.00 O ATOM 0 H GLU A 32 6.737 -1.259 -20.056 1.00 0.00 H new ATOM 0 HA GLU A 32 9.675 -1.281 -20.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.775 -1.048 -22.640 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.516 -0.858 -22.697 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.872 -3.185 -22.052 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.172 -3.405 -21.685 1.00 0.00 H new ATOM 315 N ILE A 33 9.700 1.203 -20.467 1.00 0.00 N ATOM 316 CA ILE A 33 9.709 2.647 -20.307 1.00 0.00 C ATOM 317 C ILE A 33 10.525 3.276 -21.438 1.00 0.00 C ATOM 318 O ILE A 33 11.664 2.882 -21.680 1.00 0.00 O ATOM 319 CB ILE A 33 10.198 3.029 -18.909 1.00 0.00 C ATOM 320 CG1 ILE A 33 9.319 2.397 -17.828 1.00 0.00 C ATOM 321 CG2 ILE A 33 10.291 4.549 -18.757 1.00 0.00 C ATOM 322 CD1 ILE A 33 10.164 1.912 -16.649 1.00 0.00 C ATOM 0 H ILE A 33 10.624 0.775 -20.524 1.00 0.00 H new ATOM 0 HA ILE A 33 8.697 3.045 -20.384 1.00 0.00 H new ATOM 0 HB ILE A 33 11.204 2.630 -18.779 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.585 3.124 -17.480 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.763 1.560 -18.250 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.641 4.794 -17.754 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.991 4.946 -19.492 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.308 4.991 -18.916 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.515 1.467 -15.895 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.880 1.167 -16.997 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.700 2.756 -16.214 1.00 0.00 H new ATOM 333 N LEU A 34 9.910 4.244 -22.101 1.00 0.00 N ATOM 334 CA LEU A 34 10.565 4.931 -23.201 1.00 0.00 C ATOM 335 C LEU A 34 10.923 6.354 -22.767 1.00 0.00 C ATOM 336 O LEU A 34 10.376 6.866 -21.791 1.00 0.00 O ATOM 337 CB LEU A 34 9.699 4.873 -24.461 1.00 0.00 C ATOM 338 CG LEU A 34 9.665 3.529 -25.191 1.00 0.00 C ATOM 339 CD1 LEU A 34 8.442 3.432 -26.105 1.00 0.00 C ATOM 340 CD2 LEU A 34 10.970 3.284 -25.951 1.00 0.00 C ATOM 0 H LEU A 34 8.965 4.569 -21.898 1.00 0.00 H new ATOM 0 HA LEU A 34 11.498 4.431 -23.460 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.678 5.142 -24.189 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.054 5.633 -25.157 1.00 0.00 H new ATOM 0 HG LEU A 34 9.574 2.738 -24.446 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.442 2.467 -26.612 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.534 3.529 -25.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.477 4.231 -26.846 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.919 2.322 -26.461 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.118 4.076 -26.685 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.804 3.279 -25.249 1.00 0.00 H new ATOM 351 N ALA A 35 11.841 6.953 -23.512 1.00 0.00 N ATOM 352 CA ALA A 35 12.279 8.305 -23.216 1.00 0.00 C ATOM 353 C ALA A 35 11.870 9.232 -24.362 1.00 0.00 C ATOM 354 O ALA A 35 12.497 9.231 -25.420 1.00 0.00 O ATOM 355 CB ALA A 35 13.790 8.311 -22.973 1.00 0.00 C ATOM 0 H ALA A 35 12.293 6.526 -24.320 1.00 0.00 H new ATOM 0 HA ALA A 35 11.801 8.672 -22.308 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.119 9.326 -22.751 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.026 7.661 -22.131 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.303 7.950 -23.864 1.00 0.00 H new TER 361 ALA A 35 ATOM 362 N THR B 12 -9.632 -1.253 -22.362 1.00 0.00 N ATOM 363 CA THR B 12 -9.858 -2.668 -22.596 1.00 0.00 C ATOM 364 C THR B 12 -9.459 -3.484 -21.365 1.00 0.00 C ATOM 365 O THR B 12 -8.355 -4.021 -21.303 1.00 0.00 O ATOM 366 CB THR B 12 -9.096 -3.065 -23.862 1.00 0.00 C ATOM 367 OG1 THR B 12 -9.849 -2.481 -24.920 1.00 0.00 O ATOM 368 CG2 THR B 12 -9.166 -4.568 -24.140 1.00 0.00 C ATOM 0 HA THR B 12 -10.916 -2.878 -22.756 1.00 0.00 H new ATOM 0 HB THR B 12 -8.054 -2.761 -23.767 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.085 -1.560 -24.683 1.00 0.00 H new ATOM 0 HG21 THR B 12 -8.609 -4.796 -25.049 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.732 -5.114 -23.302 1.00 0.00 H new ATOM 0 HG23 THR B 12 -10.207 -4.866 -24.267 1.00 0.00 H new ATOM 376 N ALA B 13 -10.382 -3.552 -20.416 1.00 0.00 N ATOM 377 CA ALA B 13 -10.140 -4.293 -19.190 1.00 0.00 C ATOM 378 C ALA B 13 -11.232 -5.351 -19.015 1.00 0.00 C ATOM 379 O ALA B 13 -12.392 -5.016 -18.775 1.00 0.00 O ATOM 380 CB ALA B 13 -10.075 -3.321 -18.010 1.00 0.00 C ATOM 0 H ALA B 13 -11.298 -3.106 -20.472 1.00 0.00 H new ATOM 0 HA ALA B 13 -9.183 -4.812 -19.238 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -9.893 -3.877 -17.090 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -9.265 -2.609 -18.169 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -11.020 -2.784 -17.929 1.00 0.00 H new ATOM 386 N LEU B 14 -10.823 -6.604 -19.141 1.00 0.00 N ATOM 387 CA LEU B 14 -11.752 -7.713 -18.999 1.00 0.00 C ATOM 388 C LEU B 14 -11.149 -8.762 -18.063 1.00 0.00 C ATOM 389 O LEU B 14 -10.103 -9.335 -18.359 1.00 0.00 O ATOM 390 CB LEU B 14 -12.140 -8.265 -20.372 1.00 0.00 C ATOM 391 CG LEU B 14 -13.513 -8.934 -20.462 1.00 0.00 C ATOM 392 CD1 LEU B 14 -14.151 -8.695 -21.832 1.00 0.00 C ATOM 393 CD2 LEU B 14 -13.419 -10.424 -20.126 1.00 0.00 C ATOM 0 H LEU B 14 -9.861 -6.877 -19.340 1.00 0.00 H new ATOM 0 HA LEU B 14 -12.682 -7.375 -18.542 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -12.108 -7.448 -21.092 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -11.384 -8.989 -20.677 1.00 0.00 H new ATOM 0 HG LEU B 14 -14.166 -8.476 -19.719 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -15.126 -9.181 -21.869 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -14.273 -7.624 -21.995 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -13.509 -9.109 -22.610 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -14.408 -10.876 -20.197 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -12.745 -10.914 -20.829 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -13.037 -10.545 -19.112 1.00 0.00 H new ATOM 404 N ASN B 15 -11.836 -8.979 -16.950 1.00 0.00 N ATOM 405 CA ASN B 15 -11.382 -9.949 -15.968 1.00 0.00 C ATOM 406 C ASN B 15 -12.396 -11.091 -15.878 1.00 0.00 C ATOM 407 O ASN B 15 -13.237 -11.110 -14.981 1.00 0.00 O ATOM 408 CB ASN B 15 -11.262 -9.313 -14.581 1.00 0.00 C ATOM 409 CG ASN B 15 -9.825 -8.866 -14.305 1.00 0.00 C ATOM 410 OD1 ASN B 15 -9.347 -7.869 -14.823 1.00 0.00 O ATOM 411 ND2 ASN B 15 -9.165 -9.656 -13.463 1.00 0.00 N ATOM 0 H ASN B 15 -12.703 -8.500 -16.707 1.00 0.00 H new ATOM 0 HA ASN B 15 -10.405 -10.316 -16.283 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -11.933 -8.457 -14.510 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -11.577 -10.028 -13.821 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -8.199 -9.443 -13.215 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -9.625 -10.475 -13.065 1.00 0.00 H new ATOM 417 N THR B 16 -12.282 -12.016 -16.821 1.00 0.00 N ATOM 418 CA THR B 16 -13.178 -13.159 -16.859 1.00 0.00 C ATOM 419 C THR B 16 -12.379 -14.464 -16.847 1.00 0.00 C ATOM 420 O THR B 16 -11.332 -14.561 -17.485 1.00 0.00 O ATOM 421 CB THR B 16 -14.080 -13.011 -18.086 1.00 0.00 C ATOM 422 OG1 THR B 16 -15.162 -12.204 -17.626 1.00 0.00 O ATOM 423 CG2 THR B 16 -14.744 -14.330 -18.487 1.00 0.00 C ATOM 0 H THR B 16 -11.583 -11.997 -17.564 1.00 0.00 H new ATOM 0 HA THR B 16 -13.812 -13.194 -15.973 1.00 0.00 H new ATOM 0 HB THR B 16 -13.495 -12.630 -18.923 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.795 -12.056 -18.359 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.373 -14.169 -19.363 1.00 0.00 H new ATOM 0 HG22 THR B 16 -13.976 -15.067 -18.722 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.357 -14.694 -17.662 1.00 0.00 H new HETATM 431 N DPR B 17 -12.917 -15.460 -16.094 1.00 0.00 N HETATM 432 CA DPR B 17 -12.267 -16.755 -15.989 1.00 0.00 C HETATM 433 CB DPR B 17 -13.340 -17.694 -15.466 1.00 0.00 C HETATM 434 CG DPR B 17 -14.412 -16.805 -14.858 1.00 0.00 C HETATM 435 CD DPR B 17 -14.156 -15.381 -15.325 1.00 0.00 C HETATM 436 C DPR B 17 -11.041 -16.681 -15.077 1.00 0.00 C HETATM 437 O DPR B 17 -11.147 -16.274 -13.920 1.00 0.00 O HETATM 0 HG3 DPR B 17 -15.403 -17.136 -15.168 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -14.383 -16.861 -13.770 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -14.055 -14.699 -14.480 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -14.979 -15.011 -15.937 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -13.750 -18.305 -16.270 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -12.932 -18.378 -14.722 1.00 0.00 H new HETATM 0 HA DPR B 17 -11.879 -17.109 -16.944 1.00 0.00 H new ATOM 445 N ALA B 18 -9.905 -17.078 -15.630 1.00 0.00 N ATOM 446 CA ALA B 18 -8.660 -17.062 -14.882 1.00 0.00 C ATOM 447 C ALA B 18 -7.603 -16.288 -15.673 1.00 0.00 C ATOM 448 O ALA B 18 -6.406 -16.466 -15.453 1.00 0.00 O ATOM 449 CB ALA B 18 -8.227 -18.498 -14.579 1.00 0.00 C ATOM 0 H ALA B 18 -9.821 -17.413 -16.590 1.00 0.00 H new ATOM 0 HA ALA B 18 -8.793 -16.554 -13.927 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -7.293 -18.486 -14.018 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -8.998 -18.994 -13.989 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -8.081 -19.039 -15.514 1.00 0.00 H new ATOM 455 N VAL B 19 -8.085 -15.447 -16.576 1.00 0.00 N ATOM 456 CA VAL B 19 -7.196 -14.646 -17.401 1.00 0.00 C ATOM 457 C VAL B 19 -7.215 -13.199 -16.906 1.00 0.00 C ATOM 458 O VAL B 19 -8.204 -12.748 -16.330 1.00 0.00 O ATOM 459 CB VAL B 19 -7.588 -14.780 -18.874 1.00 0.00 C ATOM 460 CG1 VAL B 19 -8.947 -14.129 -19.140 1.00 0.00 C ATOM 461 CG2 VAL B 19 -6.510 -14.188 -19.784 1.00 0.00 C ATOM 0 H VAL B 19 -9.079 -15.303 -16.755 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.170 -15.004 -17.318 1.00 0.00 H new ATOM 0 HB VAL B 19 -7.674 -15.842 -19.103 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -9.203 -14.238 -20.194 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -9.709 -14.615 -18.530 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -8.899 -13.070 -18.886 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -6.813 -14.296 -20.825 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -6.378 -13.131 -19.552 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -5.569 -14.714 -19.624 1.00 0.00 H new ATOM 471 N GLN B 20 -6.107 -12.511 -17.148 1.00 0.00 N ATOM 472 CA GLN B 20 -5.984 -11.123 -16.733 1.00 0.00 C ATOM 473 C GLN B 20 -5.423 -10.276 -17.878 1.00 0.00 C ATOM 474 O GLN B 20 -4.277 -10.460 -18.286 1.00 0.00 O ATOM 475 CB GLN B 20 -5.114 -11.001 -15.481 1.00 0.00 C ATOM 476 CG GLN B 20 -5.386 -9.684 -14.751 1.00 0.00 C ATOM 477 CD GLN B 20 -5.614 -9.924 -13.257 1.00 0.00 C ATOM 478 OE1 GLN B 20 -6.170 -10.927 -12.840 1.00 0.00 O ATOM 479 NE2 GLN B 20 -5.154 -8.949 -12.477 1.00 0.00 N ATOM 0 H GLN B 20 -5.288 -12.888 -17.625 1.00 0.00 H new ATOM 0 HA GLN B 20 -6.976 -10.748 -16.482 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -5.312 -11.839 -14.813 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.061 -11.057 -15.758 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -4.544 -9.006 -14.890 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.261 -9.198 -15.183 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -4.698 -8.136 -12.892 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -5.257 -9.014 -11.464 1.00 0.00 H new ATOM 486 N LYS B 21 -6.257 -9.367 -18.361 1.00 0.00 N ATOM 487 CA LYS B 21 -5.858 -8.490 -19.450 1.00 0.00 C ATOM 488 C LYS B 21 -6.125 -7.037 -19.053 1.00 0.00 C ATOM 489 O LYS B 21 -7.132 -6.456 -19.455 1.00 0.00 O ATOM 490 CB LYS B 21 -6.542 -8.909 -20.752 1.00 0.00 C ATOM 491 CG LYS B 21 -7.977 -9.372 -20.493 1.00 0.00 C ATOM 492 CD LYS B 21 -8.610 -9.936 -21.767 1.00 0.00 C ATOM 493 CE LYS B 21 -8.687 -11.464 -21.711 1.00 0.00 C ATOM 494 NZ LYS B 21 -8.101 -12.057 -22.933 1.00 0.00 N ATOM 0 H LYS B 21 -7.206 -9.218 -18.019 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.788 -8.577 -19.638 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -6.547 -8.072 -21.450 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -5.976 -9.713 -21.222 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -7.982 -10.133 -19.713 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -8.572 -8.536 -20.127 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -9.610 -9.522 -21.894 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -8.025 -9.629 -22.634 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -8.156 -11.829 -20.832 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -9.726 -11.778 -21.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -8.161 -13.094 -22.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -8.625 -11.723 -23.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -7.104 -11.772 -23.014 1.00 0.00 H new ATOM 503 N TRP B 22 -5.207 -6.492 -18.269 1.00 0.00 N ATOM 504 CA TRP B 22 -5.331 -5.117 -17.813 1.00 0.00 C ATOM 505 C TRP B 22 -4.211 -4.301 -18.461 1.00 0.00 C ATOM 506 O TRP B 22 -3.116 -4.815 -18.687 1.00 0.00 O ATOM 507 CB TRP B 22 -5.320 -5.043 -16.285 1.00 0.00 C ATOM 508 CG TRP B 22 -4.904 -3.678 -15.732 1.00 0.00 C ATOM 509 CD1 TRP B 22 -3.845 -3.387 -14.965 1.00 0.00 C ATOM 510 CD2 TRP B 22 -5.587 -2.424 -15.937 1.00 0.00 C ATOM 511 NE1 TRP B 22 -3.795 -2.042 -14.661 1.00 0.00 N ATOM 512 CE2 TRP B 22 -4.888 -1.437 -15.271 1.00 0.00 C ATOM 513 CE3 TRP B 22 -6.756 -2.132 -16.660 1.00 0.00 C ATOM 514 CZ2 TRP B 22 -5.280 -0.094 -15.262 1.00 0.00 C ATOM 515 CZ3 TRP B 22 -7.135 -0.784 -16.642 1.00 0.00 C ATOM 516 CH2 TRP B 22 -6.442 0.221 -15.976 1.00 0.00 C ATOM 0 H TRP B 22 -4.373 -6.977 -17.937 1.00 0.00 H new ATOM 0 HA TRP B 22 -6.289 -4.694 -18.117 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -6.315 -5.287 -15.912 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -4.640 -5.803 -15.899 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -3.121 -4.114 -14.627 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -3.087 -1.577 -14.093 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -7.318 -2.888 -17.188 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -4.716 0.660 -14.732 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -8.027 -0.506 -17.183 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -6.799 1.240 -16.010 1.00 0.00 H new ATOM 526 N HIS B 23 -4.524 -3.045 -18.741 1.00 0.00 N ATOM 527 CA HIS B 23 -3.556 -2.153 -19.359 1.00 0.00 C ATOM 528 C HIS B 23 -3.160 -1.059 -18.365 1.00 0.00 C ATOM 529 O HIS B 23 -4.021 -0.446 -17.737 1.00 0.00 O ATOM 530 CB HIS B 23 -4.098 -1.591 -20.674 1.00 0.00 C ATOM 531 CG HIS B 23 -5.190 -0.562 -20.499 1.00 0.00 C ATOM 532 ND1 HIS B 23 -5.130 0.741 -20.103 1.00 0.00 N flip ATOM 533 CD2 HIS B 23 -6.524 -0.838 -20.743 1.00 0.00 C flip ATOM 534 CE1 HIS B 23 -6.362 1.236 -20.105 1.00 0.00 C flip ATOM 535 NE2 HIS B 23 -7.228 0.259 -20.501 1.00 0.00 N flip ATOM 0 H HIS B 23 -5.433 -2.623 -18.552 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.654 -2.709 -19.613 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -3.276 -1.142 -21.232 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.481 -2.413 -21.278 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -6.923 -1.785 -21.074 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -6.634 2.246 -19.837 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -8.239 0.356 -20.594 1.00 0.00 H new ATOM 542 N PHE B 24 -1.857 -0.848 -18.254 1.00 0.00 N ATOM 543 CA PHE B 24 -1.336 0.161 -17.348 1.00 0.00 C ATOM 544 C PHE B 24 -0.544 1.225 -18.110 1.00 0.00 C ATOM 545 O PHE B 24 0.639 1.039 -18.394 1.00 0.00 O ATOM 546 CB PHE B 24 -0.399 -0.554 -16.373 1.00 0.00 C ATOM 547 CG PHE B 24 0.037 0.306 -15.185 1.00 0.00 C ATOM 548 CD1 PHE B 24 -0.774 0.429 -14.100 1.00 0.00 C ATOM 549 CD2 PHE B 24 1.236 0.947 -15.214 1.00 0.00 C ATOM 550 CE1 PHE B 24 -0.369 1.227 -12.998 1.00 0.00 C ATOM 551 CE2 PHE B 24 1.641 1.745 -14.112 1.00 0.00 C ATOM 552 CZ PHE B 24 0.831 1.869 -13.026 1.00 0.00 C ATOM 0 H PHE B 24 -1.146 -1.359 -18.777 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.158 0.658 -16.832 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -0.896 -1.449 -15.998 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.488 -0.885 -16.914 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.726 -0.080 -14.077 1.00 0.00 H new ATOM 0 HD2 PHE B 24 1.880 0.849 -16.075 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.013 1.325 -12.137 1.00 0.00 H new ATOM 0 HE2 PHE B 24 2.593 2.254 -14.136 1.00 0.00 H new ATOM 0 HZ PHE B 24 1.140 2.476 -12.188 1.00 0.00 H new ATOM 561 N VAL B 25 -1.227 2.318 -18.418 1.00 0.00 N ATOM 562 CA VAL B 25 -0.601 3.412 -19.141 1.00 0.00 C ATOM 563 C VAL B 25 -0.898 4.729 -18.422 1.00 0.00 C ATOM 564 O VAL B 25 -1.628 5.573 -18.941 1.00 0.00 O ATOM 565 CB VAL B 25 -1.065 3.409 -20.599 1.00 0.00 C ATOM 566 CG1 VAL B 25 -0.056 4.126 -21.497 1.00 0.00 C ATOM 567 CG2 VAL B 25 -1.320 1.983 -21.091 1.00 0.00 C ATOM 0 H VAL B 25 -2.207 2.469 -18.180 1.00 0.00 H new ATOM 0 HA VAL B 25 0.482 3.288 -19.158 1.00 0.00 H new ATOM 0 HB VAL B 25 -2.007 3.955 -20.651 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -0.410 4.109 -22.528 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.054 5.159 -21.168 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.908 3.621 -21.436 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.649 2.010 -22.130 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -0.401 1.402 -21.016 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.093 1.519 -20.478 1.00 0.00 H new ATOM 577 N LEU B 26 -0.318 4.864 -17.238 1.00 0.00 N ATOM 578 CA LEU B 26 -0.513 6.064 -16.442 1.00 0.00 C ATOM 579 C LEU B 26 0.837 6.753 -16.229 1.00 0.00 C ATOM 580 O LEU B 26 1.875 6.094 -16.191 1.00 0.00 O ATOM 581 CB LEU B 26 -1.246 5.732 -15.142 1.00 0.00 C ATOM 582 CG LEU B 26 -0.506 4.808 -14.171 1.00 0.00 C ATOM 583 CD1 LEU B 26 0.508 5.590 -13.335 1.00 0.00 C ATOM 584 CD2 LEU B 26 -1.492 4.030 -13.297 1.00 0.00 C ATOM 0 H LEU B 26 0.287 4.162 -16.811 1.00 0.00 H new ATOM 0 HA LEU B 26 -1.153 6.771 -16.969 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.469 6.666 -14.625 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.201 5.271 -15.394 1.00 0.00 H new ATOM 0 HG LEU B 26 0.054 4.077 -14.754 1.00 0.00 H new ATOM 0 HD11 LEU B 26 1.020 4.910 -12.654 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.238 6.060 -13.994 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.009 6.358 -12.760 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.941 3.381 -12.616 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.098 4.729 -12.721 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.140 3.425 -13.930 1.00 0.00 H new HETATM 595 N DPR B 27 0.778 8.104 -16.091 1.00 0.00 N HETATM 596 CA DPR B 27 1.982 8.889 -15.881 1.00 0.00 C HETATM 597 CB DPR B 27 1.493 10.225 -15.346 1.00 0.00 C HETATM 598 CG DPR B 27 0.020 10.307 -15.712 1.00 0.00 C HETATM 599 CD DPR B 27 -0.434 8.917 -16.131 1.00 0.00 C HETATM 600 C DPR B 27 2.783 9.022 -17.179 1.00 0.00 C HETATM 601 O DPR B 27 2.376 9.737 -18.092 1.00 0.00 O HETATM 0 HG3 DPR B 27 -0.565 10.660 -14.863 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -0.133 11.019 -16.523 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -0.871 8.927 -17.129 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -1.194 8.528 -15.454 1.00 0.00 H new HETATM 0 HB3 DPR B 27 1.631 10.288 -14.267 1.00 0.00 H new HETATM 0 HB2 DPR B 27 2.052 11.050 -15.787 1.00 0.00 H new HETATM 0 HA DPR B 27 2.671 8.422 -15.178 1.00 0.00 H new ATOM 609 N GLY B 28 3.906 8.321 -17.218 1.00 0.00 N ATOM 610 CA GLY B 28 4.766 8.351 -18.388 1.00 0.00 C ATOM 611 C GLY B 28 5.447 6.998 -18.603 1.00 0.00 C ATOM 612 O GLY B 28 6.501 6.922 -19.234 1.00 0.00 O ATOM 0 H GLY B 28 4.240 7.729 -16.458 1.00 0.00 H new ATOM 0 HA2 GLY B 28 4.179 8.611 -19.269 1.00 0.00 H new ATOM 0 HA3 GLY B 28 5.522 9.128 -18.269 1.00 0.00 H new ATOM 616 N TYR B 29 4.818 5.963 -18.067 1.00 0.00 N ATOM 617 CA TYR B 29 5.350 4.617 -18.192 1.00 0.00 C ATOM 618 C TYR B 29 4.419 3.735 -19.026 1.00 0.00 C ATOM 619 O TYR B 29 3.223 4.006 -19.124 1.00 0.00 O ATOM 620 CB TYR B 29 5.424 4.058 -16.769 1.00 0.00 C ATOM 621 CG TYR B 29 6.719 4.404 -16.031 1.00 0.00 C ATOM 622 CD1 TYR B 29 7.544 5.399 -16.515 1.00 0.00 C ATOM 623 CD2 TYR B 29 7.061 3.722 -14.881 1.00 0.00 C ATOM 624 CE1 TYR B 29 8.763 5.724 -15.821 1.00 0.00 C ATOM 625 CE2 TYR B 29 8.279 4.048 -14.187 1.00 0.00 C ATOM 626 CZ TYR B 29 9.070 5.033 -14.691 1.00 0.00 C ATOM 627 OH TYR B 29 10.221 5.340 -14.034 1.00 0.00 O ATOM 0 H TYR B 29 3.944 6.029 -17.545 1.00 0.00 H new ATOM 0 HA TYR B 29 6.322 4.633 -18.686 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.579 4.438 -16.196 1.00 0.00 H new ATOM 0 HB3 TYR B 29 5.320 2.974 -16.810 1.00 0.00 H new ATOM 0 HD1 TYR B 29 7.275 5.934 -17.414 1.00 0.00 H new ATOM 0 HD2 TYR B 29 6.415 2.944 -14.502 1.00 0.00 H new ATOM 0 HE1 TYR B 29 9.419 6.499 -16.190 1.00 0.00 H new ATOM 0 HE2 TYR B 29 8.559 3.522 -13.286 1.00 0.00 H new ATOM 0 HH TYR B 29 10.310 4.767 -13.244 1.00 0.00 H new ATOM 636 N LYS B 30 5.002 2.696 -19.606 1.00 0.00 N ATOM 637 CA LYS B 30 4.240 1.772 -20.428 1.00 0.00 C ATOM 638 C LYS B 30 4.401 0.353 -19.877 1.00 0.00 C ATOM 639 O LYS B 30 5.398 -0.312 -20.149 1.00 0.00 O ATOM 640 CB LYS B 30 4.639 1.909 -21.899 1.00 0.00 C ATOM 641 CG LYS B 30 3.839 3.020 -22.582 1.00 0.00 C ATOM 642 CD LYS B 30 3.445 2.616 -24.005 1.00 0.00 C ATOM 643 CE LYS B 30 2.644 3.726 -24.688 1.00 0.00 C ATOM 644 NZ LYS B 30 1.580 3.149 -25.540 1.00 0.00 N ATOM 0 H LYS B 30 5.994 2.474 -19.523 1.00 0.00 H new ATOM 0 HA LYS B 30 3.178 2.012 -20.386 1.00 0.00 H new ATOM 0 HB2 LYS B 30 5.705 2.126 -21.972 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.470 0.964 -22.415 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.943 3.238 -22.001 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.431 3.935 -22.610 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.341 2.399 -24.586 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.854 1.701 -23.977 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.201 4.379 -23.936 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.309 4.342 -25.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.046 3.916 -25.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.009 2.545 -26.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.936 2.580 -24.954 1.00 0.00 H new ATOM 653 N CYS B 31 3.403 -0.067 -19.113 1.00 0.00 N ATOM 654 CA CYS B 31 3.421 -1.393 -18.521 1.00 0.00 C ATOM 655 C CYS B 31 2.169 -2.143 -18.983 1.00 0.00 C ATOM 656 O CYS B 31 1.112 -1.540 -19.161 1.00 0.00 O ATOM 657 CB CYS B 31 3.519 -1.332 -16.996 1.00 0.00 C ATOM 658 SG CYS B 31 4.863 -0.268 -16.355 1.00 0.00 S ATOM 0 H CYS B 31 2.577 0.488 -18.891 1.00 0.00 H new ATOM 0 HA CYS B 31 4.309 -1.930 -18.855 1.00 0.00 H new ATOM 0 HB2 CYS B 31 2.570 -0.973 -16.599 1.00 0.00 H new ATOM 0 HB3 CYS B 31 3.662 -2.343 -16.614 1.00 0.00 H new ATOM 662 N GLU B 32 2.331 -3.445 -19.164 1.00 0.00 N ATOM 663 CA GLU B 32 1.227 -4.282 -19.602 1.00 0.00 C ATOM 664 C GLU B 32 1.310 -5.659 -18.939 1.00 0.00 C ATOM 665 O GLU B 32 2.362 -6.297 -18.955 1.00 0.00 O ATOM 666 CB GLU B 32 1.204 -4.407 -21.126 1.00 0.00 C ATOM 667 CG GLU B 32 2.519 -4.991 -21.648 1.00 0.00 C ATOM 668 CD GLU B 32 2.329 -6.435 -22.118 1.00 0.00 C ATOM 669 OE1 GLU B 32 1.277 -6.770 -22.682 1.00 0.00 O ATOM 670 OE2 GLU B 32 3.324 -7.221 -21.879 1.00 0.00 O ATOM 0 H GLU B 32 3.210 -3.941 -19.015 1.00 0.00 H new ATOM 0 HA GLU B 32 0.294 -3.809 -19.296 1.00 0.00 H new ATOM 0 HB2 GLU B 32 0.373 -5.044 -21.430 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.034 -3.427 -21.572 1.00 0.00 H new ATOM 0 HG2 GLU B 32 2.890 -4.382 -22.473 1.00 0.00 H new ATOM 0 HG3 GLU B 32 3.274 -4.957 -20.862 1.00 0.00 H new ATOM 676 N ILE B 33 0.188 -6.077 -18.374 1.00 0.00 N ATOM 677 CA ILE B 33 0.120 -7.367 -17.708 1.00 0.00 C ATOM 678 C ILE B 33 -0.699 -8.336 -18.563 1.00 0.00 C ATOM 679 O ILE B 33 -1.928 -8.335 -18.504 1.00 0.00 O ATOM 680 CB ILE B 33 -0.410 -7.207 -16.282 1.00 0.00 C ATOM 681 CG1 ILE B 33 0.589 -6.445 -15.408 1.00 0.00 C ATOM 682 CG2 ILE B 33 -0.783 -8.563 -15.679 1.00 0.00 C ATOM 683 CD1 ILE B 33 -0.063 -5.986 -14.102 1.00 0.00 C ATOM 0 H ILE B 33 -0.682 -5.545 -18.363 1.00 0.00 H new ATOM 0 HA ILE B 33 1.117 -7.795 -17.607 1.00 0.00 H new ATOM 0 HB ILE B 33 -1.322 -6.612 -16.322 1.00 0.00 H new ATOM 0 HG12 ILE B 33 1.445 -7.083 -15.187 1.00 0.00 H new ATOM 0 HG13 ILE B 33 0.968 -5.580 -15.953 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -1.157 -8.420 -14.665 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.556 -9.032 -16.288 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.098 -9.205 -15.654 1.00 0.00 H new ATOM 0 HD11 ILE B 33 0.669 -5.447 -13.500 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.903 -5.329 -14.326 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.420 -6.855 -13.548 1.00 0.00 H new ATOM 694 N LEU B 34 0.014 -9.140 -19.338 1.00 0.00 N ATOM 695 CA LEU B 34 -0.631 -10.111 -20.204 1.00 0.00 C ATOM 696 C LEU B 34 -0.046 -11.499 -19.931 1.00 0.00 C ATOM 697 O LEU B 34 1.148 -11.722 -20.124 1.00 0.00 O ATOM 698 CB LEU B 34 -0.528 -9.677 -21.667 1.00 0.00 C ATOM 699 CG LEU B 34 -1.800 -9.092 -22.285 1.00 0.00 C ATOM 700 CD1 LEU B 34 -1.567 -8.691 -23.742 1.00 0.00 C ATOM 701 CD2 LEU B 34 -2.976 -10.060 -22.138 1.00 0.00 C ATOM 0 H LEU B 34 1.033 -9.138 -19.384 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.698 -10.166 -19.987 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.267 -8.936 -21.750 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.223 -10.539 -22.260 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.059 -8.185 -21.739 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.486 -8.278 -24.157 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.778 -7.941 -23.791 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.270 -9.568 -24.318 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.867 -9.620 -22.585 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.741 -10.997 -22.643 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.158 -10.253 -21.081 1.00 0.00 H new ATOM 712 N ALA B 35 -0.915 -12.395 -19.486 1.00 0.00 N ATOM 713 CA ALA B 35 -0.499 -13.754 -19.185 1.00 0.00 C ATOM 714 C ALA B 35 -1.272 -14.728 -20.077 1.00 0.00 C ATOM 715 O ALA B 35 -0.999 -15.927 -20.075 1.00 0.00 O ATOM 716 CB ALA B 35 -0.710 -14.034 -17.696 1.00 0.00 C ATOM 0 H ALA B 35 -1.905 -12.206 -19.327 1.00 0.00 H new ATOM 0 HA ALA B 35 0.562 -13.886 -19.394 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -0.398 -15.054 -17.470 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -0.118 -13.334 -17.107 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -1.765 -13.914 -17.449 1.00 0.00 H new TER 722 ALA B 35