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: B 20 GLN : amide:sc= -0.142 K(o=0.18,f=-0.38) USER MOD Set 1.2: B 21 LYS NZ :NH3+ -176:sc= 0.321 (180deg=0.313) USER MOD Single : A 12 THR OG1 : rot 43:sc= 0.0431 USER MOD Single : A 15 ASN : amide:sc= -0.0312 K(o=-0.031,f=-2.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.125) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -4.54! C(o=-5.3!,f=-4.5!) 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 180:sc= -0.0998 USER MOD Single : B 15 ASN : amide:sc= -0.909 K(o=-0.91,f=-2) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.23 USER MOD Single : B 23 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.61) 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 22.040 -4.909 -14.673 1.00 0.00 N ATOM 2 CA THR A 12 20.685 -5.052 -15.176 1.00 0.00 C ATOM 3 C THR A 12 20.017 -3.681 -15.310 1.00 0.00 C ATOM 4 O THR A 12 19.035 -3.396 -14.628 1.00 0.00 O ATOM 5 CB THR A 12 19.933 -6.005 -14.245 1.00 0.00 C ATOM 6 OG1 THR A 12 20.456 -7.291 -14.568 1.00 0.00 O ATOM 7 CG2 THR A 12 18.446 -6.110 -14.589 1.00 0.00 C ATOM 0 HA THR A 12 20.679 -5.481 -16.178 1.00 0.00 H new ATOM 0 HB THR A 12 20.043 -5.667 -13.215 1.00 0.00 H new ATOM 0 HG1 THR A 12 21.430 -7.234 -14.662 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.960 -6.799 -13.898 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.983 -5.127 -14.506 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.334 -6.480 -15.608 1.00 0.00 H new ATOM 15 N ALA A 13 20.578 -2.871 -16.195 1.00 0.00 N ATOM 16 CA ALA A 13 20.050 -1.537 -16.428 1.00 0.00 C ATOM 17 C ALA A 13 20.535 -1.031 -17.787 1.00 0.00 C ATOM 18 O ALA A 13 21.500 -1.556 -18.341 1.00 0.00 O ATOM 19 CB ALA A 13 20.467 -0.615 -15.280 1.00 0.00 C ATOM 0 H ALA A 13 21.393 -3.112 -16.759 1.00 0.00 H new ATOM 0 HA ALA A 13 18.960 -1.555 -16.453 1.00 0.00 H new ATOM 0 HB1 ALA A 13 20.071 0.385 -15.455 1.00 0.00 H new ATOM 0 HB2 ALA A 13 20.073 -1.002 -14.341 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.555 -0.570 -15.226 1.00 0.00 H new ATOM 25 N LEU A 14 19.843 -0.017 -18.287 1.00 0.00 N ATOM 26 CA LEU A 14 20.192 0.566 -19.572 1.00 0.00 C ATOM 27 C LEU A 14 20.254 2.089 -19.436 1.00 0.00 C ATOM 28 O LEU A 14 19.394 2.694 -18.798 1.00 0.00 O ATOM 29 CB LEU A 14 19.229 0.084 -20.658 1.00 0.00 C ATOM 30 CG LEU A 14 17.999 0.960 -20.901 1.00 0.00 C ATOM 31 CD1 LEU A 14 18.150 1.772 -22.190 1.00 0.00 C ATOM 32 CD2 LEU A 14 16.718 0.124 -20.898 1.00 0.00 C ATOM 0 H LEU A 14 19.043 0.415 -17.826 1.00 0.00 H new ATOM 0 HA LEU A 14 21.181 0.233 -19.886 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.781 -0.000 -21.594 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.890 -0.919 -20.397 1.00 0.00 H new ATOM 0 HG LEU A 14 17.920 1.671 -20.079 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.262 2.386 -22.339 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.027 2.415 -22.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.269 1.094 -23.035 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.860 0.773 -21.073 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.772 -0.627 -21.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.608 -0.370 -19.933 1.00 0.00 H new ATOM 43 N ASN A 15 21.278 2.664 -20.048 1.00 0.00 N ATOM 44 CA ASN A 15 21.463 4.104 -20.004 1.00 0.00 C ATOM 45 C ASN A 15 21.213 4.689 -21.395 1.00 0.00 C ATOM 46 O ASN A 15 21.793 4.231 -22.378 1.00 0.00 O ATOM 47 CB ASN A 15 22.891 4.464 -19.589 1.00 0.00 C ATOM 48 CG ASN A 15 23.119 4.182 -18.103 1.00 0.00 C ATOM 49 OD1 ASN A 15 22.610 3.225 -17.541 1.00 0.00 O ATOM 50 ND2 ASN A 15 23.908 5.066 -17.499 1.00 0.00 N ATOM 0 H ASN A 15 21.989 2.159 -20.577 1.00 0.00 H new ATOM 0 HA ASN A 15 20.762 4.511 -19.275 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.602 3.891 -20.185 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.079 5.518 -19.796 1.00 0.00 H new ATOM 0 HD21 ASN A 15 24.120 4.966 -16.506 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.301 5.844 -18.028 1.00 0.00 H new ATOM 56 N THR A 16 20.349 5.693 -21.434 1.00 0.00 N ATOM 57 CA THR A 16 20.016 6.346 -22.688 1.00 0.00 C ATOM 58 C THR A 16 20.269 7.852 -22.590 1.00 0.00 C ATOM 59 O THR A 16 19.338 8.649 -22.694 1.00 0.00 O ATOM 60 CB THR A 16 18.567 5.994 -23.033 1.00 0.00 C ATOM 61 OG1 THR A 16 18.608 4.599 -23.324 1.00 0.00 O ATOM 62 CG2 THR A 16 18.105 6.635 -24.343 1.00 0.00 C ATOM 0 H THR A 16 19.869 6.070 -20.617 1.00 0.00 H new ATOM 0 HA THR A 16 20.654 5.994 -23.499 1.00 0.00 H new ATOM 0 HB THR A 16 17.913 6.314 -22.222 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.709 4.287 -23.556 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.071 6.353 -24.541 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.177 7.720 -24.262 1.00 0.00 H new ATOM 0 HG23 THR A 16 18.738 6.289 -25.160 1.00 0.00 H new HETATM 70 N DPR A 17 21.566 8.204 -22.385 1.00 0.00 N HETATM 71 CA DPR A 17 21.953 9.600 -22.273 1.00 0.00 C HETATM 72 CB DPR A 17 23.456 9.611 -22.496 1.00 0.00 C HETATM 73 CG DPR A 17 23.923 8.182 -22.264 1.00 0.00 C HETATM 74 CD DPR A 17 22.695 7.287 -22.257 1.00 0.00 C HETATM 75 C DPR A 17 21.547 10.173 -20.913 1.00 0.00 C HETATM 76 O DPR A 17 21.513 9.453 -19.917 1.00 0.00 O HETATM 0 HG3 DPR A 17 24.615 7.874 -23.048 1.00 0.00 H new HETATM 0 HG2 DPR A 17 24.458 8.104 -21.318 1.00 0.00 H new HETATM 0 HD3 DPR A 17 22.632 6.708 -21.335 1.00 0.00 H new HETATM 0 HD2 DPR A 17 22.721 6.573 -23.081 1.00 0.00 H new HETATM 0 HB3 DPR A 17 23.699 9.942 -23.506 1.00 0.00 H new HETATM 0 HB2 DPR A 17 23.948 10.299 -21.808 1.00 0.00 H new HETATM 0 HA DPR A 17 21.451 10.236 -23.002 1.00 0.00 H new ATOM 84 N ALA A 18 21.249 11.464 -20.917 1.00 0.00 N ATOM 85 CA ALA A 18 20.846 12.142 -19.696 1.00 0.00 C ATOM 86 C ALA A 18 19.918 11.229 -18.892 1.00 0.00 C ATOM 87 O ALA A 18 20.294 10.736 -17.829 1.00 0.00 O ATOM 88 CB ALA A 18 20.188 13.478 -20.047 1.00 0.00 C ATOM 0 H ALA A 18 21.278 12.058 -21.745 1.00 0.00 H new ATOM 0 HA ALA A 18 21.714 12.359 -19.074 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.886 13.986 -19.131 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.898 14.101 -20.591 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.311 13.299 -20.669 1.00 0.00 H new ATOM 94 N VAL A 19 18.725 11.030 -19.431 1.00 0.00 N ATOM 95 CA VAL A 19 17.740 10.184 -18.777 1.00 0.00 C ATOM 96 C VAL A 19 18.133 8.716 -18.960 1.00 0.00 C ATOM 97 O VAL A 19 18.920 8.387 -19.845 1.00 0.00 O ATOM 98 CB VAL A 19 16.341 10.499 -19.312 1.00 0.00 C ATOM 99 CG1 VAL A 19 15.993 11.974 -19.100 1.00 0.00 C ATOM 100 CG2 VAL A 19 16.219 10.114 -20.788 1.00 0.00 C ATOM 0 H VAL A 19 18.417 11.440 -20.313 1.00 0.00 H new ATOM 0 HA VAL A 19 17.716 10.384 -17.706 1.00 0.00 H new ATOM 0 HB VAL A 19 15.624 9.901 -18.749 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.994 12.172 -19.489 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.020 12.205 -18.035 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.717 12.598 -19.625 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.215 10.348 -21.143 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.950 10.673 -21.372 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.404 9.046 -20.902 1.00 0.00 H new ATOM 110 N GLN A 20 17.566 7.875 -18.109 1.00 0.00 N ATOM 111 CA GLN A 20 17.846 6.450 -18.166 1.00 0.00 C ATOM 112 C GLN A 20 16.541 5.655 -18.250 1.00 0.00 C ATOM 113 O GLN A 20 15.470 6.181 -17.955 1.00 0.00 O ATOM 114 CB GLN A 20 18.681 6.008 -16.963 1.00 0.00 C ATOM 115 CG GLN A 20 20.153 6.379 -17.151 1.00 0.00 C ATOM 116 CD GLN A 20 20.632 7.308 -16.033 1.00 0.00 C ATOM 117 OE1 GLN A 20 20.893 8.482 -16.235 1.00 0.00 O ATOM 118 NE2 GLN A 20 20.732 6.718 -14.846 1.00 0.00 N ATOM 0 H GLN A 20 16.914 8.152 -17.376 1.00 0.00 H new ATOM 0 HA GLN A 20 18.429 6.249 -19.065 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.297 6.477 -16.057 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.588 4.930 -16.828 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.761 5.474 -17.162 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.288 6.866 -18.117 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.498 5.730 -14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.043 7.253 -14.035 1.00 0.00 H new ATOM 125 N LYS A 21 16.676 4.401 -18.654 1.00 0.00 N ATOM 126 CA LYS A 21 15.521 3.528 -18.781 1.00 0.00 C ATOM 127 C LYS A 21 15.826 2.185 -18.112 1.00 0.00 C ATOM 128 O LYS A 21 16.973 1.743 -18.095 1.00 0.00 O ATOM 129 CB LYS A 21 15.102 3.403 -20.247 1.00 0.00 C ATOM 130 CG LYS A 21 13.704 2.794 -20.368 1.00 0.00 C ATOM 131 CD LYS A 21 13.316 2.597 -21.835 1.00 0.00 C ATOM 132 CE LYS A 21 12.111 1.664 -21.963 1.00 0.00 C ATOM 133 NZ LYS A 21 11.196 2.141 -23.025 1.00 0.00 N ATOM 0 H LYS A 21 17.567 3.968 -18.898 1.00 0.00 H new ATOM 0 HA LYS A 21 14.662 3.955 -18.263 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.116 4.386 -20.718 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.820 2.782 -20.783 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.675 1.836 -19.849 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.977 3.443 -19.880 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.083 3.562 -22.286 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.161 2.183 -22.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.449 0.653 -22.193 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.580 1.614 -21.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.621 1.346 -23.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.572 2.878 -22.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.752 2.534 -23.811 1.00 0.00 H new ATOM 142 N TRP A 22 14.778 1.575 -17.578 1.00 0.00 N ATOM 143 CA TRP A 22 14.920 0.293 -16.910 1.00 0.00 C ATOM 144 C TRP A 22 13.947 -0.691 -17.564 1.00 0.00 C ATOM 145 O TRP A 22 12.734 -0.578 -17.390 1.00 0.00 O ATOM 146 CB TRP A 22 14.704 0.434 -15.402 1.00 0.00 C ATOM 147 CG TRP A 22 13.248 0.678 -15.001 1.00 0.00 C ATOM 148 CD1 TRP A 22 12.571 1.835 -15.016 1.00 0.00 C ATOM 149 CD2 TRP A 22 12.310 -0.309 -14.523 1.00 0.00 C ATOM 150 NE1 TRP A 22 11.272 1.666 -14.584 1.00 0.00 N ATOM 151 CE2 TRP A 22 11.107 0.321 -14.275 1.00 0.00 C ATOM 152 CE3 TRP A 22 12.472 -1.688 -14.308 1.00 0.00 C ATOM 153 CZ2 TRP A 22 9.975 -0.350 -13.798 1.00 0.00 C ATOM 154 CZ3 TRP A 22 11.331 -2.344 -13.830 1.00 0.00 C ATOM 155 CH2 TRP A 22 10.113 -1.725 -13.576 1.00 0.00 C ATOM 0 H TRP A 22 13.828 1.945 -17.594 1.00 0.00 H new ATOM 0 HA TRP A 22 15.934 -0.092 -17.024 1.00 0.00 H new ATOM 0 HB2 TRP A 22 15.059 -0.471 -14.909 1.00 0.00 H new ATOM 0 HB3 TRP A 22 15.314 1.258 -15.034 1.00 0.00 H new ATOM 0 HD1 TRP A 22 12.990 2.781 -15.327 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.562 2.395 -14.506 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.403 -2.202 -14.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.045 0.166 -13.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.403 -3.406 -13.646 1.00 0.00 H new ATOM 0 HH2 TRP A 22 9.277 -2.302 -13.209 1.00 0.00 H new ATOM 165 N HIS A 23 14.515 -1.633 -18.301 1.00 0.00 N ATOM 166 CA HIS A 23 13.713 -2.636 -18.981 1.00 0.00 C ATOM 167 C HIS A 23 13.758 -3.948 -18.196 1.00 0.00 C ATOM 168 O HIS A 23 14.769 -4.649 -18.207 1.00 0.00 O ATOM 169 CB HIS A 23 14.165 -2.799 -20.434 1.00 0.00 C ATOM 170 CG HIS A 23 13.162 -3.508 -21.313 1.00 0.00 C ATOM 171 ND1 HIS A 23 12.694 -4.788 -21.278 1.00 0.00 N flip ATOM 172 CD2 HIS A 23 12.526 -2.889 -22.375 1.00 0.00 C flip ATOM 173 CE1 HIS A 23 11.819 -4.943 -22.263 1.00 0.00 C flip ATOM 174 NE2 HIS A 23 11.714 -3.766 -22.945 1.00 0.00 N flip ATOM 0 H HIS A 23 15.521 -1.723 -18.443 1.00 0.00 H new ATOM 0 HA HIS A 23 12.673 -2.311 -19.019 1.00 0.00 H new ATOM 0 HB2 HIS A 23 14.368 -1.814 -20.853 1.00 0.00 H new ATOM 0 HB3 HIS A 23 15.104 -3.353 -20.452 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.668 -1.865 -22.686 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.279 -5.851 -22.488 1.00 0.00 H new ATOM 0 HE2 HIS A 23 11.115 -3.592 -23.752 1.00 0.00 H new ATOM 181 N PHE A 24 12.648 -4.242 -17.533 1.00 0.00 N ATOM 182 CA PHE A 24 12.548 -5.457 -16.743 1.00 0.00 C ATOM 183 C PHE A 24 11.395 -6.336 -17.234 1.00 0.00 C ATOM 184 O PHE A 24 10.291 -6.273 -16.697 1.00 0.00 O ATOM 185 CB PHE A 24 12.272 -5.033 -15.300 1.00 0.00 C ATOM 186 CG PHE A 24 12.370 -6.174 -14.286 1.00 0.00 C ATOM 187 CD1 PHE A 24 11.283 -6.949 -14.027 1.00 0.00 C ATOM 188 CD2 PHE A 24 13.544 -6.412 -13.642 1.00 0.00 C ATOM 189 CE1 PHE A 24 11.375 -8.008 -13.085 1.00 0.00 C ATOM 190 CE2 PHE A 24 13.636 -7.471 -12.701 1.00 0.00 C ATOM 191 CZ PHE A 24 12.548 -8.246 -12.442 1.00 0.00 C ATOM 0 H PHE A 24 11.811 -3.659 -17.527 1.00 0.00 H new ATOM 0 HA PHE A 24 13.470 -6.032 -16.827 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.978 -4.251 -15.021 1.00 0.00 H new ATOM 0 HB3 PHE A 24 11.275 -4.597 -15.245 1.00 0.00 H new ATOM 0 HD1 PHE A 24 10.350 -6.759 -14.537 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.407 -5.795 -13.847 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.512 -8.624 -12.880 1.00 0.00 H new ATOM 0 HE2 PHE A 24 14.569 -7.661 -12.191 1.00 0.00 H new ATOM 0 HZ PHE A 24 12.617 -9.051 -11.725 1.00 0.00 H new ATOM 200 N VAL A 25 11.692 -7.134 -18.249 1.00 0.00 N ATOM 201 CA VAL A 25 10.694 -8.023 -18.817 1.00 0.00 C ATOM 202 C VAL A 25 11.155 -9.473 -18.652 1.00 0.00 C ATOM 203 O VAL A 25 11.594 -10.102 -19.613 1.00 0.00 O ATOM 204 CB VAL A 25 10.425 -7.645 -20.276 1.00 0.00 C ATOM 205 CG1 VAL A 25 11.610 -8.021 -21.168 1.00 0.00 C ATOM 206 CG2 VAL A 25 9.133 -8.290 -20.780 1.00 0.00 C ATOM 0 H VAL A 25 12.609 -7.183 -18.692 1.00 0.00 H new ATOM 0 HA VAL A 25 9.747 -7.920 -18.288 1.00 0.00 H new ATOM 0 HB VAL A 25 10.300 -6.563 -20.324 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.392 -7.742 -22.199 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.502 -7.494 -20.830 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.781 -9.096 -21.112 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.965 -8.005 -21.819 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.216 -9.375 -20.710 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.295 -7.950 -20.171 1.00 0.00 H new ATOM 216 N LEU A 26 11.039 -9.961 -17.425 1.00 0.00 N ATOM 217 CA LEU A 26 11.439 -11.324 -17.122 1.00 0.00 C ATOM 218 C LEU A 26 10.272 -12.057 -16.458 1.00 0.00 C ATOM 219 O LEU A 26 9.450 -11.440 -15.783 1.00 0.00 O ATOM 220 CB LEU A 26 12.724 -11.334 -16.290 1.00 0.00 C ATOM 221 CG LEU A 26 12.610 -10.765 -14.875 1.00 0.00 C ATOM 222 CD1 LEU A 26 12.508 -11.885 -13.839 1.00 0.00 C ATOM 223 CD2 LEU A 26 13.767 -9.809 -14.573 1.00 0.00 C ATOM 0 H LEU A 26 10.674 -9.437 -16.630 1.00 0.00 H new ATOM 0 HA LEU A 26 11.676 -11.864 -18.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.080 -12.362 -16.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.486 -10.769 -16.827 1.00 0.00 H new ATOM 0 HG LEU A 26 11.689 -10.186 -14.814 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.428 -11.452 -12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.625 -12.491 -14.044 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.398 -12.512 -13.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.662 -9.419 -13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.713 -10.344 -14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.751 -8.983 -15.284 1.00 0.00 H new HETATM 234 N DPR A 27 10.235 -13.399 -16.678 1.00 0.00 N HETATM 235 CA DPR A 27 9.182 -14.224 -16.110 1.00 0.00 C HETATM 236 CB DPR A 27 9.709 -15.647 -16.192 1.00 0.00 C HETATM 237 CG DPR A 27 10.829 -15.618 -17.219 1.00 0.00 C HETATM 238 CD DPR A 27 11.192 -14.164 -17.472 1.00 0.00 C HETATM 239 C DPR A 27 7.865 -14.028 -16.864 1.00 0.00 C HETATM 240 O DPR A 27 7.623 -14.684 -17.876 1.00 0.00 O HETATM 0 HG3 DPR A 27 11.695 -16.170 -16.855 1.00 0.00 H new HETATM 0 HG2 DPR A 27 10.511 -16.099 -18.144 1.00 0.00 H new HETATM 0 HD3 DPR A 27 11.116 -13.915 -18.531 1.00 0.00 H new HETATM 0 HD2 DPR A 27 12.217 -13.953 -17.168 1.00 0.00 H new HETATM 0 HB3 DPR A 27 10.077 -15.984 -15.223 1.00 0.00 H new HETATM 0 HB2 DPR A 27 8.922 -16.338 -16.492 1.00 0.00 H new HETATM 0 HA DPR A 27 8.950 -13.959 -15.078 1.00 0.00 H new ATOM 248 N GLY A 28 7.051 -13.123 -16.343 1.00 0.00 N ATOM 249 CA GLY A 28 5.764 -12.834 -16.955 1.00 0.00 C ATOM 250 C GLY A 28 5.304 -11.414 -16.619 1.00 0.00 C ATOM 251 O GLY A 28 4.120 -11.180 -16.385 1.00 0.00 O ATOM 0 H GLY A 28 7.256 -12.580 -15.504 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.837 -12.950 -18.036 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.022 -13.553 -16.607 1.00 0.00 H new ATOM 255 N TYR A 29 6.266 -10.502 -16.606 1.00 0.00 N ATOM 256 CA TYR A 29 5.974 -9.112 -16.303 1.00 0.00 C ATOM 257 C TYR A 29 6.572 -8.183 -17.362 1.00 0.00 C ATOM 258 O TYR A 29 7.781 -7.959 -17.386 1.00 0.00 O ATOM 259 CB TYR A 29 6.641 -8.825 -14.956 1.00 0.00 C ATOM 260 CG TYR A 29 5.712 -8.996 -13.752 1.00 0.00 C ATOM 261 CD1 TYR A 29 5.044 -10.188 -13.561 1.00 0.00 C ATOM 262 CD2 TYR A 29 5.543 -7.958 -12.859 1.00 0.00 C ATOM 263 CE1 TYR A 29 4.169 -10.349 -12.428 1.00 0.00 C ATOM 264 CE2 TYR A 29 4.669 -8.118 -11.726 1.00 0.00 C ATOM 265 CZ TYR A 29 4.025 -9.306 -11.566 1.00 0.00 C ATOM 266 OH TYR A 29 3.199 -9.458 -10.496 1.00 0.00 O ATOM 0 H TYR A 29 7.248 -10.699 -16.800 1.00 0.00 H new ATOM 0 HA TYR A 29 4.898 -8.942 -16.282 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.498 -9.488 -14.838 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.026 -7.805 -14.963 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.177 -11.000 -14.261 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.066 -7.025 -13.010 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.639 -11.276 -12.266 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.528 -7.314 -11.019 1.00 0.00 H new ATOM 0 HH TYR A 29 3.194 -8.633 -9.967 1.00 0.00 H new ATOM 275 N LYS A 30 5.696 -7.666 -18.212 1.00 0.00 N ATOM 276 CA LYS A 30 6.120 -6.767 -19.270 1.00 0.00 C ATOM 277 C LYS A 30 5.750 -5.331 -18.893 1.00 0.00 C ATOM 278 O LYS A 30 4.652 -4.868 -19.198 1.00 0.00 O ATOM 279 CB LYS A 30 5.549 -7.215 -20.617 1.00 0.00 C ATOM 280 CG LYS A 30 4.026 -7.067 -20.643 1.00 0.00 C ATOM 281 CD LYS A 30 3.408 -7.942 -21.735 1.00 0.00 C ATOM 282 CE LYS A 30 3.517 -7.268 -23.105 1.00 0.00 C ATOM 283 NZ LYS A 30 4.628 -7.857 -23.885 1.00 0.00 N ATOM 0 H LYS A 30 4.694 -7.854 -18.188 1.00 0.00 H new ATOM 0 HA LYS A 30 7.204 -6.799 -19.383 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.989 -6.622 -21.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.820 -8.254 -20.804 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.614 -7.345 -19.673 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.761 -6.024 -20.815 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.912 -8.908 -21.760 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.361 -8.134 -21.503 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.580 -7.385 -23.650 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.681 -6.198 -22.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.688 -7.389 -24.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.522 -7.724 -23.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.456 -8.873 -24.022 1.00 0.00 H new ATOM 292 N CYS A 31 6.687 -4.665 -18.234 1.00 0.00 N ATOM 293 CA CYS A 31 6.474 -3.292 -17.813 1.00 0.00 C ATOM 294 C CYS A 31 7.712 -2.475 -18.186 1.00 0.00 C ATOM 295 O CYS A 31 8.796 -2.704 -17.651 1.00 0.00 O ATOM 296 CB CYS A 31 6.161 -3.201 -16.318 1.00 0.00 C ATOM 297 SG CYS A 31 5.923 -1.500 -15.685 1.00 0.00 S ATOM 0 H CYS A 31 7.596 -5.052 -17.981 1.00 0.00 H new ATOM 0 HA CYS A 31 5.603 -2.884 -18.326 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.259 -3.779 -16.114 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.973 -3.670 -15.762 1.00 0.00 H new ATOM 301 N GLU A 32 7.511 -1.540 -19.103 1.00 0.00 N ATOM 302 CA GLU A 32 8.598 -0.688 -19.555 1.00 0.00 C ATOM 303 C GLU A 32 8.266 0.781 -19.291 1.00 0.00 C ATOM 304 O GLU A 32 7.268 1.296 -19.794 1.00 0.00 O ATOM 305 CB GLU A 32 8.902 -0.925 -21.035 1.00 0.00 C ATOM 306 CG GLU A 32 9.430 -2.342 -21.267 1.00 0.00 C ATOM 307 CD GLU A 32 9.006 -2.867 -22.640 1.00 0.00 C ATOM 308 OE1 GLU A 32 9.078 -2.131 -23.635 1.00 0.00 O ATOM 309 OE2 GLU A 32 8.592 -4.089 -22.652 1.00 0.00 O ATOM 0 H GLU A 32 6.611 -1.354 -19.545 1.00 0.00 H new ATOM 0 HA GLU A 32 9.494 -0.945 -18.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.999 -0.769 -21.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.638 -0.198 -21.380 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.517 -2.346 -21.192 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.055 -3.006 -20.488 1.00 0.00 H new ATOM 315 N ILE A 33 9.122 1.417 -18.504 1.00 0.00 N ATOM 316 CA ILE A 33 8.932 2.818 -18.167 1.00 0.00 C ATOM 317 C ILE A 33 10.132 3.625 -18.668 1.00 0.00 C ATOM 318 O ILE A 33 11.271 3.173 -18.573 1.00 0.00 O ATOM 319 CB ILE A 33 8.664 2.978 -16.670 1.00 0.00 C ATOM 320 CG1 ILE A 33 7.433 2.174 -16.243 1.00 0.00 C ATOM 321 CG2 ILE A 33 8.543 4.455 -16.289 1.00 0.00 C ATOM 322 CD1 ILE A 33 6.170 2.700 -16.929 1.00 0.00 C ATOM 0 H ILE A 33 9.949 0.988 -18.090 1.00 0.00 H new ATOM 0 HA ILE A 33 8.049 3.214 -18.668 1.00 0.00 H new ATOM 0 HB ILE A 33 9.518 2.573 -16.126 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.576 1.123 -16.493 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.314 2.231 -15.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.353 4.540 -15.219 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.471 4.971 -16.535 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.719 4.907 -16.841 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.310 2.112 -16.609 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.017 3.744 -16.658 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.283 2.619 -18.010 1.00 0.00 H new ATOM 333 N LEU A 34 9.833 4.807 -19.188 1.00 0.00 N ATOM 334 CA LEU A 34 10.873 5.681 -19.703 1.00 0.00 C ATOM 335 C LEU A 34 10.805 7.028 -18.981 1.00 0.00 C ATOM 336 O LEU A 34 9.724 7.481 -18.607 1.00 0.00 O ATOM 337 CB LEU A 34 10.774 5.794 -21.225 1.00 0.00 C ATOM 338 CG LEU A 34 9.525 6.496 -21.766 1.00 0.00 C ATOM 339 CD1 LEU A 34 9.721 8.012 -21.801 1.00 0.00 C ATOM 340 CD2 LEU A 34 9.131 5.936 -23.135 1.00 0.00 C ATOM 0 H LEU A 34 8.886 5.179 -19.264 1.00 0.00 H new ATOM 0 HA LEU A 34 11.858 5.260 -19.502 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.652 6.328 -21.588 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.814 4.790 -21.647 1.00 0.00 H new ATOM 0 HG LEU A 34 8.697 6.294 -21.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.820 8.487 -22.189 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.918 8.377 -20.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.565 8.255 -22.446 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.241 6.452 -23.497 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.949 6.087 -23.839 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.921 4.870 -23.045 1.00 0.00 H new ATOM 351 N ALA A 35 11.972 7.630 -18.806 1.00 0.00 N ATOM 352 CA ALA A 35 12.057 8.916 -18.136 1.00 0.00 C ATOM 353 C ALA A 35 12.608 9.959 -19.111 1.00 0.00 C ATOM 354 O ALA A 35 12.367 11.154 -18.947 1.00 0.00 O ATOM 355 CB ALA A 35 12.920 8.780 -16.879 1.00 0.00 C ATOM 0 H ALA A 35 12.866 7.251 -19.117 1.00 0.00 H new ATOM 0 HA ALA A 35 11.069 9.250 -17.819 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.984 9.745 -16.376 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.471 8.049 -16.207 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.920 8.449 -17.158 1.00 0.00 H new TER 361 ALA A 35 ATOM 362 N THR B 12 -6.273 0.330 -17.725 1.00 0.00 N ATOM 363 CA THR B 12 -7.610 0.264 -17.162 1.00 0.00 C ATOM 364 C THR B 12 -7.627 -0.650 -15.936 1.00 0.00 C ATOM 365 O THR B 12 -6.682 -1.402 -15.704 1.00 0.00 O ATOM 366 CB THR B 12 -8.568 -0.183 -18.267 1.00 0.00 C ATOM 367 OG1 THR B 12 -9.862 -0.027 -17.691 1.00 0.00 O ATOM 368 CG2 THR B 12 -8.468 -1.683 -18.557 1.00 0.00 C ATOM 0 HA THR B 12 -7.937 1.241 -16.805 1.00 0.00 H new ATOM 0 HB THR B 12 -8.358 0.378 -19.177 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.544 -0.294 -18.342 1.00 0.00 H new ATOM 0 HG21 THR B 12 -9.169 -1.948 -19.349 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.454 -1.925 -18.874 1.00 0.00 H new ATOM 0 HG23 THR B 12 -8.710 -2.245 -17.655 1.00 0.00 H new ATOM 376 N ALA B 13 -8.713 -0.556 -15.182 1.00 0.00 N ATOM 377 CA ALA B 13 -8.866 -1.365 -13.984 1.00 0.00 C ATOM 378 C ALA B 13 -9.982 -2.389 -14.206 1.00 0.00 C ATOM 379 O ALA B 13 -11.153 -2.097 -13.965 1.00 0.00 O ATOM 380 CB ALA B 13 -9.137 -0.457 -12.784 1.00 0.00 C ATOM 0 H ALA B 13 -9.496 0.068 -15.378 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.949 -1.916 -13.773 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -9.252 -1.065 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -8.302 0.231 -12.652 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -10.051 0.111 -12.957 1.00 0.00 H new ATOM 386 N LEU B 14 -9.579 -3.566 -14.661 1.00 0.00 N ATOM 387 CA LEU B 14 -10.531 -4.634 -14.917 1.00 0.00 C ATOM 388 C LEU B 14 -10.159 -5.855 -14.073 1.00 0.00 C ATOM 389 O LEU B 14 -9.398 -6.713 -14.518 1.00 0.00 O ATOM 390 CB LEU B 14 -10.618 -4.927 -16.417 1.00 0.00 C ATOM 391 CG LEU B 14 -11.969 -5.433 -16.924 1.00 0.00 C ATOM 392 CD1 LEU B 14 -13.055 -4.371 -16.745 1.00 0.00 C ATOM 393 CD2 LEU B 14 -11.867 -5.909 -18.374 1.00 0.00 C ATOM 0 H LEU B 14 -8.607 -3.804 -14.859 1.00 0.00 H new ATOM 0 HA LEU B 14 -11.534 -4.331 -14.616 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -10.367 -4.016 -16.960 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.858 -5.667 -16.667 1.00 0.00 H new ATOM 0 HG LEU B 14 -12.259 -6.294 -16.322 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -14.005 -4.757 -17.114 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -13.150 -4.122 -15.688 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -12.785 -3.476 -17.306 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -12.841 -6.264 -18.710 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -11.544 -5.082 -19.007 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -11.143 -6.721 -18.440 1.00 0.00 H new ATOM 404 N ASN B 15 -10.716 -5.895 -12.871 1.00 0.00 N ATOM 405 CA ASN B 15 -10.452 -6.996 -11.961 1.00 0.00 C ATOM 406 C ASN B 15 -11.740 -7.793 -11.744 1.00 0.00 C ATOM 407 O ASN B 15 -12.329 -7.747 -10.665 1.00 0.00 O ATOM 408 CB ASN B 15 -9.978 -6.485 -10.599 1.00 0.00 C ATOM 409 CG ASN B 15 -10.900 -5.382 -10.076 1.00 0.00 C ATOM 410 OD1 ASN B 15 -10.946 -4.278 -10.592 1.00 0.00 O ATOM 411 ND2 ASN B 15 -11.632 -5.743 -9.025 1.00 0.00 N ATOM 0 H ASN B 15 -11.349 -5.183 -12.507 1.00 0.00 H new ATOM 0 HA ASN B 15 -9.674 -7.618 -12.403 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -9.951 -7.310 -9.887 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -8.960 -6.104 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -12.280 -5.078 -8.603 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -11.545 -6.684 -8.642 1.00 0.00 H new ATOM 417 N THR B 16 -12.141 -8.504 -12.788 1.00 0.00 N ATOM 418 CA THR B 16 -13.349 -9.309 -12.725 1.00 0.00 C ATOM 419 C THR B 16 -13.164 -10.611 -13.506 1.00 0.00 C ATOM 420 O THR B 16 -12.504 -10.628 -14.545 1.00 0.00 O ATOM 421 CB THR B 16 -14.512 -8.455 -13.234 1.00 0.00 C ATOM 422 OG1 THR B 16 -15.628 -9.341 -13.215 1.00 0.00 O ATOM 423 CG2 THR B 16 -14.361 -8.080 -14.711 1.00 0.00 C ATOM 0 H THR B 16 -11.651 -8.539 -13.682 1.00 0.00 H new ATOM 0 HA THR B 16 -13.571 -9.610 -11.701 1.00 0.00 H new ATOM 0 HB THR B 16 -14.585 -7.548 -12.634 1.00 0.00 H new ATOM 0 HG1 THR B 16 -16.427 -8.868 -13.529 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.212 -7.474 -15.022 1.00 0.00 H new ATOM 0 HG22 THR B 16 -13.441 -7.512 -14.850 1.00 0.00 H new ATOM 0 HG23 THR B 16 -14.322 -8.987 -15.314 1.00 0.00 H new HETATM 431 N DPR B 17 -13.772 -11.699 -12.963 1.00 0.00 N HETATM 432 CA DPR B 17 -13.680 -13.003 -13.598 1.00 0.00 C HETATM 433 CB DPR B 17 -14.804 -13.820 -12.981 1.00 0.00 C HETATM 434 CG DPR B 17 -15.187 -13.100 -11.698 1.00 0.00 C HETATM 435 CD DPR B 17 -14.562 -11.717 -11.735 1.00 0.00 C HETATM 436 C DPR B 17 -12.300 -13.623 -13.378 1.00 0.00 C HETATM 437 O DPR B 17 -11.590 -13.252 -12.445 1.00 0.00 O HETATM 0 HG3 DPR B 17 -16.271 -13.027 -11.611 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -14.834 -13.655 -10.829 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -13.937 -11.542 -10.860 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -15.324 -10.938 -11.743 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -15.655 -13.889 -13.659 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -14.478 -14.839 -12.774 1.00 0.00 H new HETATM 0 HA DPR B 17 -13.790 -12.953 -14.681 1.00 0.00 H new ATOM 445 N ALA B 18 -11.960 -14.558 -14.254 1.00 0.00 N ATOM 446 CA ALA B 18 -10.676 -15.234 -14.167 1.00 0.00 C ATOM 447 C ALA B 18 -9.555 -14.219 -14.401 1.00 0.00 C ATOM 448 O ALA B 18 -8.660 -14.077 -13.570 1.00 0.00 O ATOM 449 CB ALA B 18 -10.639 -16.388 -15.171 1.00 0.00 C ATOM 0 H ALA B 18 -12.551 -14.863 -15.027 1.00 0.00 H new ATOM 0 HA ALA B 18 -10.532 -15.661 -13.175 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -9.677 -16.896 -15.107 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -11.438 -17.094 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -10.776 -15.998 -16.179 1.00 0.00 H new ATOM 455 N VAL B 19 -9.641 -13.543 -15.537 1.00 0.00 N ATOM 456 CA VAL B 19 -8.643 -12.547 -15.891 1.00 0.00 C ATOM 457 C VAL B 19 -8.760 -11.355 -14.940 1.00 0.00 C ATOM 458 O VAL B 19 -9.865 -10.931 -14.602 1.00 0.00 O ATOM 459 CB VAL B 19 -8.793 -12.155 -17.362 1.00 0.00 C ATOM 460 CG1 VAL B 19 -10.121 -11.434 -17.604 1.00 0.00 C ATOM 461 CG2 VAL B 19 -7.612 -11.301 -17.826 1.00 0.00 C ATOM 0 H VAL B 19 -10.385 -13.665 -16.224 1.00 0.00 H new ATOM 0 HA VAL B 19 -7.639 -12.956 -15.779 1.00 0.00 H new ATOM 0 HB VAL B 19 -8.796 -13.070 -17.954 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -10.203 -11.166 -18.657 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -10.947 -12.091 -17.331 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -10.161 -10.530 -16.996 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -7.744 -11.036 -18.875 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -7.562 -10.392 -17.226 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -6.687 -11.865 -17.708 1.00 0.00 H new ATOM 471 N GLN B 20 -7.606 -10.845 -14.535 1.00 0.00 N ATOM 472 CA GLN B 20 -7.565 -9.709 -13.630 1.00 0.00 C ATOM 473 C GLN B 20 -6.207 -9.010 -13.716 1.00 0.00 C ATOM 474 O GLN B 20 -5.309 -9.290 -12.923 1.00 0.00 O ATOM 475 CB GLN B 20 -7.869 -10.141 -12.193 1.00 0.00 C ATOM 476 CG GLN B 20 -7.787 -8.953 -11.234 1.00 0.00 C ATOM 477 CD GLN B 20 -6.973 -9.309 -9.988 1.00 0.00 C ATOM 478 OE1 GLN B 20 -5.988 -10.027 -10.043 1.00 0.00 O ATOM 479 NE2 GLN B 20 -7.437 -8.769 -8.866 1.00 0.00 N ATOM 0 H GLN B 20 -6.692 -11.198 -14.817 1.00 0.00 H new ATOM 0 HA GLN B 20 -8.336 -9.001 -13.933 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -8.864 -10.583 -12.145 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -7.163 -10.912 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -7.330 -8.103 -11.741 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -8.791 -8.647 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -8.267 -8.177 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -6.963 -8.947 -7.980 1.00 0.00 H new ATOM 486 N LYS B 21 -6.099 -8.115 -14.686 1.00 0.00 N ATOM 487 CA LYS B 21 -4.866 -7.374 -14.886 1.00 0.00 C ATOM 488 C LYS B 21 -5.198 -5.916 -15.211 1.00 0.00 C ATOM 489 O LYS B 21 -6.338 -5.595 -15.546 1.00 0.00 O ATOM 490 CB LYS B 21 -3.995 -8.056 -15.944 1.00 0.00 C ATOM 491 CG LYS B 21 -4.000 -9.575 -15.761 1.00 0.00 C ATOM 492 CD LYS B 21 -3.263 -9.976 -14.483 1.00 0.00 C ATOM 493 CE LYS B 21 -3.885 -11.226 -13.859 1.00 0.00 C ATOM 494 NZ LYS B 21 -3.589 -11.287 -12.410 1.00 0.00 N ATOM 0 H LYS B 21 -6.845 -7.886 -15.342 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.273 -7.370 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.362 -7.805 -16.939 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.974 -7.681 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -5.028 -9.937 -15.721 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.528 -10.050 -16.621 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.213 -10.162 -14.708 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.295 -9.154 -13.768 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -4.964 -11.219 -14.015 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -3.497 -12.117 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.961 -12.175 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.560 -11.247 -12.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -4.038 -10.481 -11.930 1.00 0.00 H new ATOM 503 N TRP B 22 -4.183 -5.072 -15.099 1.00 0.00 N ATOM 504 CA TRP B 22 -4.352 -3.656 -15.377 1.00 0.00 C ATOM 505 C TRP B 22 -3.524 -3.313 -16.617 1.00 0.00 C ATOM 506 O TRP B 22 -2.322 -3.573 -16.655 1.00 0.00 O ATOM 507 CB TRP B 22 -3.982 -2.809 -14.157 1.00 0.00 C ATOM 508 CG TRP B 22 -4.204 -3.516 -12.819 1.00 0.00 C ATOM 509 CD1 TRP B 22 -3.533 -4.561 -12.316 1.00 0.00 C ATOM 510 CD2 TRP B 22 -5.197 -3.184 -11.826 1.00 0.00 C ATOM 511 NE1 TRP B 22 -4.019 -4.926 -11.077 1.00 0.00 N ATOM 512 CE2 TRP B 22 -5.062 -4.061 -10.769 1.00 0.00 C ATOM 513 CE3 TRP B 22 -6.176 -2.175 -11.820 1.00 0.00 C ATOM 514 CZ2 TRP B 22 -5.874 -4.019 -9.629 1.00 0.00 C ATOM 515 CZ3 TRP B 22 -6.979 -2.146 -10.673 1.00 0.00 C ATOM 516 CH2 TRP B 22 -6.857 -3.023 -9.602 1.00 0.00 C ATOM 0 H TRP B 22 -3.240 -5.342 -14.819 1.00 0.00 H new ATOM 0 HA TRP B 22 -5.397 -3.427 -15.584 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.934 -2.518 -14.233 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -4.569 -1.891 -14.173 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -2.714 -5.056 -12.817 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -3.676 -5.690 -10.495 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -6.299 -1.478 -12.635 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -5.749 -4.717 -8.815 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -7.747 -1.389 -10.617 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -7.518 -2.936 -8.752 1.00 0.00 H new ATOM 526 N HIS B 23 -4.199 -2.736 -17.600 1.00 0.00 N ATOM 527 CA HIS B 23 -3.540 -2.356 -18.837 1.00 0.00 C ATOM 528 C HIS B 23 -3.748 -0.862 -19.092 1.00 0.00 C ATOM 529 O HIS B 23 -4.745 -0.464 -19.693 1.00 0.00 O ATOM 530 CB HIS B 23 -4.020 -3.228 -20.000 1.00 0.00 C ATOM 531 CG HIS B 23 -4.062 -2.513 -21.328 1.00 0.00 C ATOM 532 ND1 HIS B 23 -5.226 -2.351 -22.058 1.00 0.00 N ATOM 533 CD2 HIS B 23 -3.070 -1.917 -22.051 1.00 0.00 C ATOM 534 CE1 HIS B 23 -4.937 -1.688 -23.167 1.00 0.00 C ATOM 535 NE2 HIS B 23 -3.600 -1.421 -23.162 1.00 0.00 N ATOM 0 H HIS B 23 -5.196 -2.522 -17.565 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.467 -2.529 -18.748 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -3.364 -4.094 -20.086 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -5.017 -3.605 -19.770 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -2.030 -1.859 -21.767 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -5.637 -1.408 -23.940 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -3.091 -0.922 -23.892 1.00 0.00 H new ATOM 542 N PHE B 24 -2.792 -0.075 -18.622 1.00 0.00 N ATOM 543 CA PHE B 24 -2.858 1.367 -18.791 1.00 0.00 C ATOM 544 C PHE B 24 -1.609 1.894 -19.500 1.00 0.00 C ATOM 545 O PHE B 24 -0.531 1.946 -18.910 1.00 0.00 O ATOM 546 CB PHE B 24 -2.932 1.979 -17.391 1.00 0.00 C ATOM 547 CG PHE B 24 -3.214 3.482 -17.383 1.00 0.00 C ATOM 548 CD1 PHE B 24 -2.255 4.356 -17.796 1.00 0.00 C ATOM 549 CD2 PHE B 24 -4.420 3.946 -16.963 1.00 0.00 C ATOM 550 CE1 PHE B 24 -2.517 5.751 -17.788 1.00 0.00 C ATOM 551 CE2 PHE B 24 -4.682 5.342 -16.955 1.00 0.00 C ATOM 552 CZ PHE B 24 -3.724 6.215 -17.368 1.00 0.00 C ATOM 0 H PHE B 24 -1.967 -0.408 -18.124 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.725 1.631 -19.396 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.712 1.470 -16.824 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.990 1.794 -16.874 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.296 3.988 -18.129 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.180 3.253 -16.635 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.757 6.445 -18.116 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.641 5.710 -16.621 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.922 7.277 -17.362 1.00 0.00 H new ATOM 561 N VAL B 25 -1.795 2.271 -20.757 1.00 0.00 N ATOM 562 CA VAL B 25 -0.697 2.792 -21.552 1.00 0.00 C ATOM 563 C VAL B 25 -1.076 4.169 -22.097 1.00 0.00 C ATOM 564 O VAL B 25 -1.226 4.343 -23.306 1.00 0.00 O ATOM 565 CB VAL B 25 -0.328 1.794 -22.652 1.00 0.00 C ATOM 566 CG1 VAL B 25 -1.554 1.424 -23.490 1.00 0.00 C ATOM 567 CG2 VAL B 25 0.795 2.342 -23.534 1.00 0.00 C ATOM 0 H VAL B 25 -2.690 2.226 -21.244 1.00 0.00 H new ATOM 0 HA VAL B 25 0.193 2.920 -20.936 1.00 0.00 H new ATOM 0 HB VAL B 25 0.036 0.885 -22.173 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -1.264 0.714 -24.264 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.311 0.973 -22.848 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -1.961 2.322 -23.955 1.00 0.00 H new ATOM 0 HG21 VAL B 25 1.038 1.614 -24.308 1.00 0.00 H new ATOM 0 HG22 VAL B 25 0.470 3.272 -24.000 1.00 0.00 H new ATOM 0 HG23 VAL B 25 1.678 2.531 -22.923 1.00 0.00 H new ATOM 577 N LEU B 26 -1.222 5.115 -21.181 1.00 0.00 N ATOM 578 CA LEU B 26 -1.582 6.472 -21.554 1.00 0.00 C ATOM 579 C LEU B 26 -0.402 7.404 -21.269 1.00 0.00 C ATOM 580 O LEU B 26 0.402 7.140 -20.377 1.00 0.00 O ATOM 581 CB LEU B 26 -2.879 6.892 -20.862 1.00 0.00 C ATOM 582 CG LEU B 26 -4.060 5.932 -21.010 1.00 0.00 C ATOM 583 CD1 LEU B 26 -5.254 6.396 -20.173 1.00 0.00 C ATOM 584 CD2 LEU B 26 -4.432 5.744 -22.483 1.00 0.00 C ATOM 0 H LEU B 26 -1.097 4.968 -20.179 1.00 0.00 H new ATOM 0 HA LEU B 26 -1.786 6.532 -22.623 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.674 7.023 -19.799 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.177 7.865 -21.252 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.757 4.958 -20.626 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -6.080 5.695 -20.297 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.968 6.437 -19.122 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -5.567 7.387 -20.503 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -5.275 5.057 -22.561 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -4.708 6.706 -22.914 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.579 5.335 -23.024 1.00 0.00 H new HETATM 595 N DPR B 27 -0.335 8.505 -22.065 1.00 0.00 N HETATM 596 CA DPR B 27 0.733 9.478 -21.907 1.00 0.00 C HETATM 597 CB DPR B 27 0.238 10.725 -22.623 1.00 0.00 C HETATM 598 CG DPR B 27 -0.876 10.260 -23.547 1.00 0.00 C HETATM 599 CD DPR B 27 -1.269 8.852 -23.131 1.00 0.00 C HETATM 600 C DPR B 27 2.050 8.945 -22.475 1.00 0.00 C HETATM 601 O DPR B 27 2.284 9.018 -23.680 1.00 0.00 O HETATM 0 HG3 DPR B 27 -1.732 10.931 -23.480 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -0.542 10.272 -24.584 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -1.192 8.156 -23.967 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -2.301 8.816 -22.781 1.00 0.00 H new HETATM 0 HB3 DPR B 27 -0.128 11.465 -21.911 1.00 0.00 H new HETATM 0 HB2 DPR B 27 1.042 11.197 -23.187 1.00 0.00 H new HETATM 0 HA DPR B 27 0.952 9.696 -20.862 1.00 0.00 H new ATOM 609 N GLY B 28 2.874 8.421 -21.580 1.00 0.00 N ATOM 610 CA GLY B 28 4.161 7.876 -21.977 1.00 0.00 C ATOM 611 C GLY B 28 4.621 6.790 -21.003 1.00 0.00 C ATOM 612 O GLY B 28 5.782 6.767 -20.596 1.00 0.00 O ATOM 0 H GLY B 28 2.676 8.362 -20.581 1.00 0.00 H new ATOM 0 HA2 GLY B 28 4.090 7.461 -22.982 1.00 0.00 H new ATOM 0 HA3 GLY B 28 4.902 8.674 -22.014 1.00 0.00 H new ATOM 616 N TYR B 29 3.687 5.917 -20.656 1.00 0.00 N ATOM 617 CA TYR B 29 3.981 4.831 -19.736 1.00 0.00 C ATOM 618 C TYR B 29 3.407 3.508 -20.248 1.00 0.00 C ATOM 619 O TYR B 29 2.190 3.326 -20.278 1.00 0.00 O ATOM 620 CB TYR B 29 3.294 5.196 -18.419 1.00 0.00 C ATOM 621 CG TYR B 29 4.213 5.886 -17.408 1.00 0.00 C ATOM 622 CD1 TYR B 29 4.830 7.076 -17.736 1.00 0.00 C ATOM 623 CD2 TYR B 29 4.425 5.318 -16.168 1.00 0.00 C ATOM 624 CE1 TYR B 29 5.695 7.725 -16.785 1.00 0.00 C ATOM 625 CE2 TYR B 29 5.290 5.966 -15.217 1.00 0.00 C ATOM 626 CZ TYR B 29 5.883 7.138 -15.573 1.00 0.00 C ATOM 627 OH TYR B 29 6.699 7.751 -14.674 1.00 0.00 O ATOM 0 H TYR B 29 2.725 5.939 -20.996 1.00 0.00 H new ATOM 0 HA TYR B 29 5.058 4.704 -19.624 1.00 0.00 H new ATOM 0 HB2 TYR B 29 2.448 5.850 -18.631 1.00 0.00 H new ATOM 0 HB3 TYR B 29 2.890 4.289 -17.968 1.00 0.00 H new ATOM 0 HD1 TYR B 29 4.664 7.521 -18.706 1.00 0.00 H new ATOM 0 HD2 TYR B 29 3.942 4.387 -15.911 1.00 0.00 H new ATOM 0 HE1 TYR B 29 6.183 8.657 -17.029 1.00 0.00 H new ATOM 0 HE2 TYR B 29 5.464 5.532 -14.244 1.00 0.00 H new ATOM 0 HH TYR B 29 6.738 7.219 -13.852 1.00 0.00 H new ATOM 636 N LYS B 30 4.308 2.620 -20.637 1.00 0.00 N ATOM 637 CA LYS B 30 3.907 1.319 -21.145 1.00 0.00 C ATOM 638 C LYS B 30 4.184 0.254 -20.083 1.00 0.00 C ATOM 639 O LYS B 30 5.273 -0.316 -20.039 1.00 0.00 O ATOM 640 CB LYS B 30 4.581 1.038 -22.489 1.00 0.00 C ATOM 641 CG LYS B 30 3.805 -0.016 -23.282 1.00 0.00 C ATOM 642 CD LYS B 30 3.811 0.309 -24.777 1.00 0.00 C ATOM 643 CE LYS B 30 5.012 -0.333 -25.474 1.00 0.00 C ATOM 644 NZ LYS B 30 4.561 -1.334 -26.467 1.00 0.00 N ATOM 0 H LYS B 30 5.316 2.775 -20.611 1.00 0.00 H new ATOM 0 HA LYS B 30 2.835 1.301 -21.342 1.00 0.00 H new ATOM 0 HB2 LYS B 30 4.645 1.960 -23.068 1.00 0.00 H new ATOM 0 HB3 LYS B 30 5.602 0.695 -22.323 1.00 0.00 H new ATOM 0 HG2 LYS B 30 4.248 -0.999 -23.118 1.00 0.00 H new ATOM 0 HG3 LYS B 30 2.778 -0.065 -22.921 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.888 -0.048 -25.234 1.00 0.00 H new ATOM 0 HD3 LYS B 30 3.840 1.390 -24.918 1.00 0.00 H new ATOM 0 HE2 LYS B 30 5.607 0.435 -25.968 1.00 0.00 H new ATOM 0 HE3 LYS B 30 5.657 -0.810 -24.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 5.389 -1.760 -26.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.013 -2.076 -25.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.965 -0.870 -27.181 1.00 0.00 H new ATOM 653 N CYS B 31 3.178 0.016 -19.253 1.00 0.00 N ATOM 654 CA CYS B 31 3.300 -0.971 -18.194 1.00 0.00 C ATOM 655 C CYS B 31 2.148 -1.969 -18.334 1.00 0.00 C ATOM 656 O CYS B 31 0.981 -1.597 -18.222 1.00 0.00 O ATOM 657 CB CYS B 31 3.324 -0.318 -16.811 1.00 0.00 C ATOM 658 SG CYS B 31 3.844 -1.423 -15.448 1.00 0.00 S ATOM 0 H CYS B 31 2.276 0.490 -19.293 1.00 0.00 H new ATOM 0 HA CYS B 31 4.250 -1.497 -18.291 1.00 0.00 H new ATOM 0 HB2 CYS B 31 3.997 0.539 -16.841 1.00 0.00 H new ATOM 0 HB3 CYS B 31 2.328 0.066 -16.589 1.00 0.00 H new ATOM 662 N GLU B 32 2.516 -3.219 -18.575 1.00 0.00 N ATOM 663 CA GLU B 32 1.529 -4.273 -18.731 1.00 0.00 C ATOM 664 C GLU B 32 1.821 -5.422 -17.763 1.00 0.00 C ATOM 665 O GLU B 32 2.692 -6.250 -18.022 1.00 0.00 O ATOM 666 CB GLU B 32 1.484 -4.773 -20.176 1.00 0.00 C ATOM 667 CG GLU B 32 0.062 -4.699 -20.738 1.00 0.00 C ATOM 668 CD GLU B 32 0.081 -4.469 -22.251 1.00 0.00 C ATOM 669 OE1 GLU B 32 0.832 -3.611 -22.738 1.00 0.00 O ATOM 670 OE2 GLU B 32 -0.720 -5.221 -22.927 1.00 0.00 O ATOM 0 H GLU B 32 3.485 -3.525 -18.666 1.00 0.00 H new ATOM 0 HA GLU B 32 0.548 -3.862 -18.492 1.00 0.00 H new ATOM 0 HB2 GLU B 32 2.154 -4.174 -20.793 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.843 -5.801 -20.220 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.470 -5.624 -20.514 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.484 -3.891 -20.251 1.00 0.00 H new ATOM 676 N ILE B 33 1.075 -5.434 -16.668 1.00 0.00 N ATOM 677 CA ILE B 33 1.243 -6.467 -15.659 1.00 0.00 C ATOM 678 C ILE B 33 0.065 -7.441 -15.733 1.00 0.00 C ATOM 679 O ILE B 33 -0.810 -7.427 -14.868 1.00 0.00 O ATOM 680 CB ILE B 33 1.438 -5.840 -14.277 1.00 0.00 C ATOM 681 CG1 ILE B 33 2.617 -4.863 -14.280 1.00 0.00 C ATOM 682 CG2 ILE B 33 1.589 -6.918 -13.203 1.00 0.00 C ATOM 683 CD1 ILE B 33 3.946 -5.611 -14.393 1.00 0.00 C ATOM 0 H ILE B 33 0.353 -4.745 -16.457 1.00 0.00 H new ATOM 0 HA ILE B 33 2.147 -7.044 -15.851 1.00 0.00 H new ATOM 0 HB ILE B 33 0.545 -5.265 -14.033 1.00 0.00 H new ATOM 0 HG12 ILE B 33 2.515 -4.167 -15.112 1.00 0.00 H new ATOM 0 HG13 ILE B 33 2.605 -4.270 -13.365 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.726 -6.446 -12.230 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.693 -7.539 -13.182 1.00 0.00 H new ATOM 0 HG23 ILE B 33 2.455 -7.539 -13.430 1.00 0.00 H new ATOM 0 HD11 ILE B 33 4.768 -4.895 -14.393 1.00 0.00 H new ATOM 0 HD12 ILE B 33 4.055 -6.289 -13.546 1.00 0.00 H new ATOM 0 HD13 ILE B 33 3.964 -6.183 -15.320 1.00 0.00 H new ATOM 694 N LEU B 34 0.082 -8.262 -16.771 1.00 0.00 N ATOM 695 CA LEU B 34 -0.974 -9.241 -16.968 1.00 0.00 C ATOM 696 C LEU B 34 -0.407 -10.647 -16.756 1.00 0.00 C ATOM 697 O LEU B 34 0.786 -10.874 -16.951 1.00 0.00 O ATOM 698 CB LEU B 34 -1.639 -9.045 -18.332 1.00 0.00 C ATOM 699 CG LEU B 34 -1.013 -9.810 -19.499 1.00 0.00 C ATOM 700 CD1 LEU B 34 -1.997 -10.828 -20.080 1.00 0.00 C ATOM 701 CD2 LEU B 34 -0.488 -8.847 -20.567 1.00 0.00 C ATOM 0 H LEU B 34 0.810 -8.270 -17.485 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.765 -9.102 -16.231 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.685 -9.340 -18.250 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.625 -7.982 -18.571 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.158 -10.370 -19.120 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.526 -11.358 -20.908 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.281 -11.542 -19.307 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.886 -10.310 -20.439 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.048 -9.416 -21.386 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -1.311 -8.242 -20.947 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.269 -8.196 -20.130 1.00 0.00 H new ATOM 712 N ALA B 35 -1.289 -11.552 -16.362 1.00 0.00 N ATOM 713 CA ALA B 35 -0.891 -12.929 -16.123 1.00 0.00 C ATOM 714 C ALA B 35 -1.832 -13.867 -16.882 1.00 0.00 C ATOM 715 O ALA B 35 -1.556 -15.060 -17.010 1.00 0.00 O ATOM 716 CB ALA B 35 -0.884 -13.205 -14.617 1.00 0.00 C ATOM 0 H ALA B 35 -2.278 -11.360 -16.202 1.00 0.00 H new ATOM 0 HA ALA B 35 0.119 -13.105 -16.492 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -0.585 -14.238 -14.438 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -0.179 -12.533 -14.127 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -1.883 -13.041 -14.212 1.00 0.00 H new TER 722 ALA B 35