USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 861 hydrogens (6 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 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 69 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 38 ASN : amide:sc= -0.597 K(o=-0.41,f=-6.5!) USER MOD Set 2.2: A 83 TYR OH : rot 168:sc= 0.186 USER MOD Set 3.1: A 43 SER OG : rot -159:sc= 0.883 USER MOD Set 3.2: A 44 SER OG : rot 29:sc= 0.21 USER MOD Set 3.3: A 47 THR OG1 : rot 136:sc= 1.12 USER MOD Set 4.1: A 20 ASN : amide:sc= -0.84 K(o=-0.84,f=-1.6!) USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 2 ASN : amide:sc= -0.842 K(o=-0.84,f=-6.3!) USER MOD Set 5.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0638 (180deg=-0.0638) USER MOD Single : A 7 GLN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.59) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -13.4! C(o=-13!,f=-18!) USER MOD Single : A 13 ASN : amide:sc= -0.592 K(o=-0.59,f=-3.6!) USER MOD Single : A 14 THR OG1 : rot 47:sc= 0.487 USER MOD Single : A 18 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.2!) USER MOD Single : A 23 MET CE :methyl 147:sc= -4.57! (180deg=-8.91!) USER MOD Single : A 25 ASN : amide:sc= -2.32! K(o=-2.3!,f=-3.1) USER MOD Single : A 26 ASN : amide:sc= -1.04 K(o=-1,f=-3.3!) USER MOD Single : A 28 TYR OH : rot -40:sc= -0.176 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.334) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -20:sc= -0.83 USER MOD Single : A 57 ASN : amide:sc= -0.0632 K(o=-0.063,f=-1.5) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0268 F(o=-0.56,f=-0.027) USER MOD Single : A 62 SER OG : rot -130:sc= -0.923 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 90 ASN :FLIP amide:sc= -7.33! C(o=-7.9!,f=-7.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 82:sc= -0.963 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -7.54! C(o=-9.1!,f=-7.5!) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -3.722 4.181 7.014 1.00 12.00 N HETATM 2 CA PCA A 1 -2.218 4.229 7.079 1.00 12.00 C HETATM 3 CB PCA A 1 -1.829 5.044 8.312 1.00 12.00 C HETATM 4 CG PCA A 1 -3.138 5.505 8.904 1.00 12.00 C HETATM 5 CD PCA A 1 -4.210 4.915 7.997 1.00 12.00 C HETATM 6 OE PCA A 1 -5.400 5.101 8.162 1.00 12.00 O HETATM 7 C PCA A 1 -1.654 2.807 7.187 1.00 12.00 C HETATM 8 O PCA A 1 -0.516 2.556 6.821 1.00 12.00 O HETATM 0 H2 PCA A 1 -4.097 5.148 6.941 1.00 12.00 H new HETATM 0 HA PCA A 1 -1.812 4.689 6.178 1.00 12.00 H new HETATM 0 HB2 PCA A 1 -1.265 4.440 9.023 1.00 12.00 H new HETATM 0 HB3 PCA A 1 -1.198 5.891 8.042 1.00 12.00 H new HETATM 0 HG2 PCA A 1 -3.252 5.155 9.930 1.00 12.00 H new HETATM 0 HG3 PCA A 1 -3.198 6.593 8.930 1.00 12.00 H new ATOM 15 N ASN A 2 -2.448 1.883 7.695 1.00 12.00 N ATOM 16 CA ASN A 2 -1.985 0.469 7.849 1.00 12.00 C ATOM 17 C ASN A 2 -2.228 -0.298 6.529 1.00 12.00 C ATOM 18 O ASN A 2 -3.085 0.066 5.742 1.00 12.00 O ATOM 19 CB ASN A 2 -2.744 -0.168 9.028 1.00 12.00 C ATOM 20 CG ASN A 2 -2.422 -1.664 9.140 1.00 12.00 C ATOM 21 OD1 ASN A 2 -3.266 -2.501 8.887 1.00 12.00 O ATOM 22 ND2 ASN A 2 -1.226 -2.038 9.512 1.00 12.00 N ATOM 0 H ASN A 2 -3.403 2.056 8.010 1.00 12.00 H new ATOM 0 HA ASN A 2 -0.917 0.429 8.062 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.474 0.337 9.955 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.817 -0.032 8.892 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -1.003 -3.030 9.589 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.516 -1.338 9.725 1.00 12.00 H new ATOM 29 N TRP A 3 -1.456 -1.341 6.290 1.00 12.00 N ATOM 30 CA TRP A 3 -1.580 -2.153 5.019 1.00 12.00 C ATOM 31 C TRP A 3 -2.871 -2.998 5.056 1.00 12.00 C ATOM 32 O TRP A 3 -3.563 -3.109 4.064 1.00 12.00 O ATOM 33 CB TRP A 3 -0.367 -3.104 4.911 1.00 12.00 C ATOM 34 CG TRP A 3 0.338 -3.026 3.579 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.668 -2.806 3.456 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.171 -3.211 2.210 1.00 12.00 C ATOM 37 NE1 TRP A 3 2.018 -2.862 2.123 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.928 -3.109 1.314 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.445 -3.460 1.653 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.772 -3.256 -0.066 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.601 -3.609 0.259 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.493 -3.511 -0.596 1.00 12.00 C ATOM 0 H TRP A 3 -0.734 -1.671 6.930 1.00 12.00 H new ATOM 0 HA TRP A 3 -1.613 -1.478 4.164 1.00 12.00 H new ATOM 0 HB2 TRP A 3 0.343 -2.867 5.704 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -0.701 -4.128 5.078 1.00 12.00 H new ATOM 0 HD1 TRP A 3 2.348 -2.616 4.273 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.969 -2.736 1.777 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.307 -3.537 2.300 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.627 -3.173 -0.720 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.581 -3.800 -0.153 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.619 -3.633 -1.662 1.00 12.00 H new ATOM 53 N ALA A 4 -3.176 -3.608 6.192 1.00 12.00 N ATOM 54 CA ALA A 4 -4.401 -4.478 6.307 1.00 12.00 C ATOM 55 C ALA A 4 -5.672 -3.638 6.140 1.00 12.00 C ATOM 56 O ALA A 4 -6.528 -3.943 5.315 1.00 12.00 O ATOM 57 CB ALA A 4 -4.417 -5.153 7.678 1.00 12.00 C ATOM 0 H ALA A 4 -2.623 -3.537 7.046 1.00 12.00 H new ATOM 0 HA ALA A 4 -4.371 -5.233 5.521 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -5.303 -5.783 7.763 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -3.523 -5.766 7.792 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -4.437 -4.392 8.458 1.00 12.00 H new ATOM 63 N THR A 5 -5.794 -2.590 6.921 1.00 12.00 N ATOM 64 CA THR A 5 -6.989 -1.700 6.832 1.00 12.00 C ATOM 65 C THR A 5 -6.983 -1.018 5.468 1.00 12.00 C ATOM 66 O THR A 5 -8.031 -0.722 4.923 1.00 12.00 O ATOM 67 CB THR A 5 -6.944 -0.650 7.942 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.565 -1.273 9.160 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.329 -0.023 8.098 1.00 12.00 C ATOM 0 H THR A 5 -5.107 -2.313 7.623 1.00 12.00 H new ATOM 0 HA THR A 5 -7.900 -2.287 6.951 1.00 12.00 H new ATOM 0 HB THR A 5 -6.220 0.125 7.689 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.533 -0.603 9.874 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.302 0.727 8.889 1.00 12.00 H new ATOM 0 HG22 THR A 5 -8.622 0.449 7.160 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.052 -0.797 8.356 1.00 12.00 H new ATOM 77 N PHE A 6 -5.805 -0.798 4.903 1.00 12.00 N ATOM 78 CA PHE A 6 -5.716 -0.168 3.551 1.00 12.00 C ATOM 79 C PHE A 6 -6.062 -1.222 2.488 1.00 12.00 C ATOM 80 O PHE A 6 -6.441 -0.886 1.380 1.00 12.00 O ATOM 81 CB PHE A 6 -4.318 0.389 3.316 1.00 12.00 C ATOM 82 CG PHE A 6 -4.231 0.998 1.926 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.002 0.158 0.831 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.356 2.391 1.728 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.896 0.690 -0.451 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.246 2.926 0.438 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.015 2.071 -0.651 1.00 12.00 C ATOM 0 H PHE A 6 -4.908 -1.031 5.328 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.422 0.660 3.486 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.086 1.143 4.068 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.578 -0.405 3.422 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -3.907 -0.907 0.981 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.536 3.043 2.570 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.722 0.037 -1.293 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.338 3.991 0.282 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.929 2.480 -1.647 1.00 12.00 H new ATOM 97 N GLN A 7 -5.970 -2.494 2.826 1.00 12.00 N ATOM 98 CA GLN A 7 -6.333 -3.563 1.846 1.00 12.00 C ATOM 99 C GLN A 7 -7.817 -3.403 1.564 1.00 12.00 C ATOM 100 O GLN A 7 -8.255 -3.502 0.439 1.00 12.00 O ATOM 101 CB GLN A 7 -6.044 -4.951 2.429 1.00 12.00 C ATOM 102 CG GLN A 7 -6.050 -5.990 1.305 1.00 12.00 C ATOM 103 CD GLN A 7 -5.659 -7.359 1.866 1.00 12.00 C ATOM 104 OE1 GLN A 7 -4.763 -8.001 1.359 1.00 12.00 O ATOM 105 NE2 GLN A 7 -6.300 -7.838 2.898 1.00 12.00 N ATOM 0 H GLN A 7 -5.659 -2.831 3.737 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.746 -3.472 0.932 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.078 -4.951 2.933 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -6.794 -5.206 3.178 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.039 -6.042 0.850 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.353 -5.695 0.520 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -7.053 -7.299 3.325 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -6.047 -8.751 3.277 1.00 12.00 H new ATOM 114 N GLN A 8 -8.577 -3.089 2.586 1.00 12.00 N ATOM 115 CA GLN A 8 -10.029 -2.845 2.384 1.00 12.00 C ATOM 116 C GLN A 8 -10.185 -1.442 1.787 1.00 12.00 C ATOM 117 O GLN A 8 -11.079 -1.200 0.988 1.00 12.00 O ATOM 118 CB GLN A 8 -10.776 -2.932 3.720 1.00 12.00 C ATOM 119 CG GLN A 8 -11.247 -4.371 3.951 1.00 12.00 C ATOM 120 CD GLN A 8 -10.262 -5.099 4.867 1.00 12.00 C ATOM 121 OE1 GLN A 8 -9.829 -4.560 5.866 1.00 12.00 O ATOM 122 NE2 GLN A 8 -9.889 -6.314 4.562 1.00 12.00 N ATOM 0 H GLN A 8 -8.250 -2.993 3.547 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.449 -3.597 1.715 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.124 -2.617 4.534 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.630 -2.255 3.716 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.241 -4.370 4.398 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.326 -4.895 2.998 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -10.254 -6.764 3.723 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -9.233 -6.812 5.163 1.00 12.00 H new ATOM 131 N LYS A 9 -9.295 -0.521 2.164 1.00 12.00 N ATOM 132 CA LYS A 9 -9.343 0.890 1.643 1.00 12.00 C ATOM 133 C LYS A 9 -9.619 0.891 0.133 1.00 12.00 C ATOM 134 O LYS A 9 -10.647 1.389 -0.302 1.00 12.00 O ATOM 135 CB LYS A 9 -8.021 1.642 1.975 1.00 12.00 C ATOM 136 CG LYS A 9 -8.007 3.048 1.349 1.00 12.00 C ATOM 137 CD LYS A 9 -8.289 4.101 2.425 1.00 12.00 C ATOM 138 CE LYS A 9 -7.816 5.473 1.934 1.00 12.00 C ATOM 139 NZ LYS A 9 -8.999 6.303 1.577 1.00 12.00 N ATOM 0 H LYS A 9 -8.534 -0.701 2.818 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.159 1.418 2.137 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.907 1.721 3.056 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.171 1.068 1.606 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -7.039 3.239 0.885 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.757 3.112 0.560 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.355 4.131 2.649 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -7.776 3.837 3.350 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -7.231 5.968 2.709 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -7.164 5.357 1.068 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -8.681 7.235 1.243 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -9.539 5.831 0.824 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -9.604 6.423 2.414 1.00 12.00 H new ATOM 153 N HIS A 10 -8.716 0.355 -0.660 1.00 12.00 N ATOM 154 CA HIS A 10 -8.931 0.341 -2.138 1.00 12.00 C ATOM 155 C HIS A 10 -9.202 -1.062 -2.696 1.00 12.00 C ATOM 156 O HIS A 10 -9.767 -1.182 -3.771 1.00 12.00 O ATOM 157 CB HIS A 10 -7.731 1.001 -2.811 1.00 12.00 C ATOM 158 CG HIS A 10 -7.842 2.464 -2.503 1.00 12.00 C ATOM 159 ND1 HIS A 10 -8.848 3.244 -3.047 1.00 12.00 N ATOM 160 CD2 HIS A 10 -7.168 3.275 -1.627 1.00 12.00 C ATOM 161 CE1 HIS A 10 -8.763 4.462 -2.488 1.00 12.00 C ATOM 162 NE2 HIS A 10 -7.756 4.534 -1.614 1.00 12.00 N ATOM 0 H HIS A 10 -7.844 -0.071 -0.345 1.00 12.00 H new ATOM 0 HA HIS A 10 -9.835 0.908 -2.360 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -6.795 0.591 -2.430 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -7.741 0.826 -3.887 1.00 12.00 H new ATOM 0 HD1 HIS A 10 -9.530 2.947 -3.745 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -6.312 2.981 -1.038 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -9.427 5.282 -2.717 1.00 12.00 H new ATOM 170 N ILE A 11 -8.784 -2.120 -2.018 1.00 12.00 N ATOM 171 CA ILE A 11 -9.000 -3.494 -2.585 1.00 12.00 C ATOM 172 C ILE A 11 -10.298 -4.163 -2.083 1.00 12.00 C ATOM 173 O ILE A 11 -10.282 -5.280 -1.576 1.00 12.00 O ATOM 174 CB ILE A 11 -7.785 -4.392 -2.289 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.483 -3.642 -2.619 1.00 12.00 C ATOM 176 CG2 ILE A 11 -7.881 -5.665 -3.139 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.471 -3.215 -4.095 1.00 12.00 C ATOM 0 H ILE A 11 -8.312 -2.088 -1.114 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.111 -3.371 -3.662 1.00 12.00 H new ATOM 0 HB ILE A 11 -7.779 -4.657 -1.232 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.389 -2.765 -1.979 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -5.625 -4.281 -2.412 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.023 -6.305 -2.934 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -8.799 -6.199 -2.893 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -7.889 -5.397 -4.196 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.544 -2.686 -4.313 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.543 -4.098 -4.730 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.318 -2.558 -4.291 1.00 12.00 H new ATOM 189 N ILE A 12 -11.429 -3.525 -2.300 1.00 12.00 N ATOM 190 CA ILE A 12 -12.735 -4.149 -1.930 1.00 12.00 C ATOM 191 C ILE A 12 -13.182 -4.931 -3.176 1.00 12.00 C ATOM 192 O ILE A 12 -14.024 -4.485 -3.939 1.00 12.00 O ATOM 193 CB ILE A 12 -13.767 -3.062 -1.584 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.167 -2.095 -0.562 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.020 -3.713 -0.992 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.571 -0.886 -1.287 1.00 12.00 C ATOM 0 H ILE A 12 -11.499 -2.597 -2.718 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.643 -4.795 -1.056 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.034 -2.517 -2.489 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.935 -1.769 0.139 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.396 -2.599 0.021 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.750 -2.941 -0.747 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.450 -4.402 -1.719 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.753 -4.260 -0.088 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.144 -0.198 -0.557 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -11.791 -1.220 -1.971 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.353 -0.377 -1.850 1.00 12.00 H new ATOM 208 N ASN A 13 -12.563 -6.081 -3.400 1.00 12.00 N ATOM 209 CA ASN A 13 -12.872 -6.916 -4.610 1.00 12.00 C ATOM 210 C ASN A 13 -14.207 -7.651 -4.418 1.00 12.00 C ATOM 211 O ASN A 13 -14.253 -8.835 -4.108 1.00 12.00 O ATOM 212 CB ASN A 13 -11.742 -7.932 -4.853 1.00 12.00 C ATOM 213 CG ASN A 13 -11.808 -8.417 -6.305 1.00 12.00 C ATOM 214 OD1 ASN A 13 -12.839 -8.873 -6.757 1.00 12.00 O ATOM 215 ND2 ASN A 13 -10.745 -8.337 -7.060 1.00 12.00 N ATOM 0 H ASN A 13 -11.850 -6.475 -2.785 1.00 12.00 H new ATOM 0 HA ASN A 13 -12.952 -6.261 -5.478 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -10.774 -7.473 -4.654 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -11.841 -8.776 -4.170 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.782 -8.657 -8.028 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -9.878 -7.954 -6.682 1.00 12.00 H new ATOM 222 N THR A 14 -15.289 -6.943 -4.625 1.00 12.00 N ATOM 223 CA THR A 14 -16.652 -7.538 -4.499 1.00 12.00 C ATOM 224 C THR A 14 -17.476 -7.062 -5.721 1.00 12.00 C ATOM 225 O THR A 14 -18.367 -6.234 -5.578 1.00 12.00 O ATOM 226 CB THR A 14 -17.298 -7.071 -3.183 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.386 -5.653 -3.178 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.450 -7.537 -1.995 1.00 12.00 C ATOM 0 H THR A 14 -15.283 -5.956 -4.882 1.00 12.00 H new ATOM 0 HA THR A 14 -16.610 -8.627 -4.479 1.00 12.00 H new ATOM 0 HB THR A 14 -18.297 -7.499 -3.099 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.749 -5.345 -4.034 1.00 12.00 H new ATOM 0 HG21 THR A 14 -16.912 -7.204 -1.066 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.386 -8.625 -1.999 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.449 -7.114 -2.075 1.00 12.00 H new ATOM 236 N PRO A 15 -17.142 -7.570 -6.911 1.00 12.00 N ATOM 237 CA PRO A 15 -17.832 -7.164 -8.153 1.00 12.00 C ATOM 238 C PRO A 15 -19.252 -7.741 -8.208 1.00 12.00 C ATOM 239 O PRO A 15 -19.492 -8.794 -8.777 1.00 12.00 O ATOM 240 CB PRO A 15 -16.938 -7.703 -9.275 1.00 12.00 C ATOM 241 CG PRO A 15 -16.093 -8.834 -8.657 1.00 12.00 C ATOM 242 CD PRO A 15 -16.075 -8.589 -7.137 1.00 12.00 C ATOM 0 HA PRO A 15 -17.966 -6.085 -8.231 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -17.539 -8.077 -10.104 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.299 -6.915 -9.674 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.523 -9.809 -8.887 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.081 -8.828 -9.063 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.279 -9.506 -6.585 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.102 -8.226 -6.805 1.00 12.00 H new ATOM 250 N ILE A 16 -20.187 -7.030 -7.618 1.00 12.00 N ATOM 251 CA ILE A 16 -21.617 -7.464 -7.607 1.00 12.00 C ATOM 252 C ILE A 16 -22.493 -6.239 -7.916 1.00 12.00 C ATOM 253 O ILE A 16 -21.989 -5.212 -8.347 1.00 12.00 O ATOM 254 CB ILE A 16 -21.967 -8.035 -6.228 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.568 -7.034 -5.140 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.204 -9.342 -6.013 1.00 12.00 C ATOM 257 CD1 ILE A 16 -22.147 -7.480 -3.796 1.00 12.00 C ATOM 0 H ILE A 16 -20.011 -6.149 -7.135 1.00 12.00 H new ATOM 0 HA ILE A 16 -21.789 -8.238 -8.355 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.040 -8.221 -6.175 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.482 -6.966 -5.075 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -21.935 -6.040 -5.394 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.451 -9.750 -5.033 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -21.484 -10.058 -6.786 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.132 -9.151 -6.067 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -21.862 -6.767 -3.022 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.234 -7.526 -3.865 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -21.758 -8.466 -3.541 1.00 12.00 H new ATOM 269 N ILE A 17 -23.790 -6.338 -7.706 1.00 12.00 N ATOM 270 CA ILE A 17 -24.695 -5.175 -7.993 1.00 12.00 C ATOM 271 C ILE A 17 -25.301 -4.664 -6.676 1.00 12.00 C ATOM 272 O ILE A 17 -26.462 -4.284 -6.608 1.00 12.00 O ATOM 273 CB ILE A 17 -25.792 -5.621 -8.977 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.691 -4.420 -9.334 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.636 -6.741 -8.352 1.00 12.00 C ATOM 276 CD1 ILE A 17 -26.788 -4.266 -10.858 1.00 12.00 C ATOM 0 H ILE A 17 -24.258 -7.171 -7.350 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.133 -4.359 -8.449 1.00 12.00 H new ATOM 0 HB ILE A 17 -25.323 -5.999 -9.886 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -27.686 -4.562 -8.911 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.285 -3.509 -8.894 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -27.409 -7.050 -9.056 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.996 -7.592 -8.120 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -27.103 -6.377 -7.437 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -27.425 -3.415 -11.098 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -25.793 -4.102 -11.271 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -27.215 -5.172 -11.289 1.00 12.00 H new ATOM 288 N ASN A 18 -24.503 -4.662 -5.629 1.00 12.00 N ATOM 289 CA ASN A 18 -24.985 -4.189 -4.284 1.00 12.00 C ATOM 290 C ASN A 18 -23.801 -3.658 -3.459 1.00 12.00 C ATOM 291 O ASN A 18 -23.038 -4.428 -2.894 1.00 12.00 O ATOM 292 CB ASN A 18 -25.633 -5.366 -3.546 1.00 12.00 C ATOM 293 CG ASN A 18 -26.754 -5.955 -4.403 1.00 12.00 C ATOM 294 OD1 ASN A 18 -27.724 -5.287 -4.700 1.00 12.00 O ATOM 295 ND2 ASN A 18 -26.659 -7.190 -4.817 1.00 12.00 N ATOM 0 H ASN A 18 -23.531 -4.970 -5.648 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.711 -3.387 -4.419 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.886 -6.130 -3.332 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -26.031 -5.033 -2.588 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -27.400 -7.594 -5.390 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -25.844 -7.750 -4.567 1.00 12.00 H new ATOM 302 N CYS A 19 -23.651 -2.347 -3.392 1.00 12.00 N ATOM 303 CA CYS A 19 -22.516 -1.738 -2.603 1.00 12.00 C ATOM 304 C CYS A 19 -22.856 -1.680 -1.100 1.00 12.00 C ATOM 305 O CYS A 19 -22.015 -1.299 -0.299 1.00 12.00 O ATOM 306 CB CYS A 19 -22.229 -0.308 -3.097 1.00 12.00 C ATOM 307 SG CYS A 19 -22.288 -0.240 -4.908 1.00 12.00 S ATOM 0 H CYS A 19 -24.265 -1.673 -3.849 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.638 -2.367 -2.750 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -22.961 0.382 -2.677 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.249 0.015 -2.747 1.00 12.00 H new ATOM 312 N ASN A 20 -24.071 -2.031 -0.712 1.00 12.00 N ATOM 313 CA ASN A 20 -24.460 -1.969 0.746 1.00 12.00 C ATOM 314 C ASN A 20 -24.007 -3.225 1.503 1.00 12.00 C ATOM 315 O ASN A 20 -23.325 -3.120 2.510 1.00 12.00 O ATOM 316 CB ASN A 20 -25.984 -1.798 0.893 1.00 12.00 C ATOM 317 CG ASN A 20 -26.739 -2.746 -0.045 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.924 -2.447 -1.208 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.198 -3.879 0.413 1.00 12.00 N ATOM 0 H ASN A 20 -24.806 -2.356 -1.340 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.956 -1.106 1.181 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -26.277 -1.993 1.925 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.260 -0.767 0.672 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.710 -4.509 -0.205 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.045 -4.134 1.389 1.00 12.00 H new ATOM 326 N THR A 21 -24.394 -4.401 1.048 1.00 12.00 N ATOM 327 CA THR A 21 -24.013 -5.664 1.761 1.00 12.00 C ATOM 328 C THR A 21 -22.488 -5.831 1.792 1.00 12.00 C ATOM 329 O THR A 21 -21.966 -6.517 2.659 1.00 12.00 O ATOM 330 CB THR A 21 -24.666 -6.879 1.077 1.00 12.00 C ATOM 331 OG1 THR A 21 -26.007 -6.557 0.732 1.00 12.00 O ATOM 332 CG2 THR A 21 -24.663 -8.076 2.035 1.00 12.00 C ATOM 0 H THR A 21 -24.959 -4.537 0.210 1.00 12.00 H new ATOM 0 HA THR A 21 -24.373 -5.600 2.788 1.00 12.00 H new ATOM 0 HB THR A 21 -24.104 -7.134 0.179 1.00 12.00 H new ATOM 0 HG1 THR A 21 -26.426 -7.327 0.295 1.00 12.00 H new ATOM 0 HG21 THR A 21 -25.126 -8.934 1.547 1.00 12.00 H new ATOM 0 HG22 THR A 21 -23.636 -8.323 2.306 1.00 12.00 H new ATOM 0 HG23 THR A 21 -25.225 -7.824 2.934 1.00 12.00 H new ATOM 340 N ILE A 22 -21.768 -5.207 0.873 1.00 12.00 N ATOM 341 CA ILE A 22 -20.273 -5.328 0.874 1.00 12.00 C ATOM 342 C ILE A 22 -19.675 -4.301 1.838 1.00 12.00 C ATOM 343 O ILE A 22 -18.675 -4.567 2.487 1.00 12.00 O ATOM 344 CB ILE A 22 -19.707 -5.110 -0.533 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.299 -3.845 -1.158 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.052 -6.313 -1.411 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.422 -3.408 -2.333 1.00 12.00 C ATOM 0 H ILE A 22 -22.154 -4.625 0.130 1.00 12.00 H new ATOM 0 HA ILE A 22 -20.007 -6.334 1.199 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.625 -4.997 -0.462 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.317 -4.035 -1.499 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -20.355 -3.050 -0.415 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -19.650 -6.160 -2.413 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -19.617 -7.215 -0.980 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.135 -6.423 -1.468 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.839 -2.507 -2.783 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.413 -3.202 -1.977 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -19.389 -4.203 -3.078 1.00 12.00 H new ATOM 359 N MET A 23 -20.282 -3.132 1.935 1.00 12.00 N ATOM 360 CA MET A 23 -19.761 -2.072 2.854 1.00 12.00 C ATOM 361 C MET A 23 -20.499 -2.113 4.201 1.00 12.00 C ATOM 362 O MET A 23 -20.361 -1.202 5.001 1.00 12.00 O ATOM 363 CB MET A 23 -19.947 -0.698 2.202 1.00 12.00 C ATOM 364 CG MET A 23 -18.626 -0.246 1.566 1.00 12.00 C ATOM 365 SD MET A 23 -18.049 -1.501 0.391 1.00 12.00 S ATOM 366 CE MET A 23 -16.789 -2.251 1.453 1.00 12.00 C ATOM 0 H MET A 23 -21.119 -2.872 1.412 1.00 12.00 H new ATOM 0 HA MET A 23 -18.702 -2.252 3.036 1.00 12.00 H new ATOM 0 HB2 MET A 23 -20.729 -0.747 1.444 1.00 12.00 H new ATOM 0 HB3 MET A 23 -20.271 0.028 2.947 1.00 12.00 H new ATOM 0 HG2 MET A 23 -18.765 0.707 1.055 1.00 12.00 H new ATOM 0 HG3 MET A 23 -17.875 -0.086 2.340 1.00 12.00 H new ATOM 0 HE1 MET A 23 -16.717 -3.317 1.236 1.00 12.00 H new ATOM 0 HE2 MET A 23 -15.826 -1.777 1.265 1.00 12.00 H new ATOM 0 HE3 MET A 23 -17.064 -2.112 2.498 1.00 12.00 H new ATOM 376 N ASP A 24 -21.252 -3.169 4.467 1.00 12.00 N ATOM 377 CA ASP A 24 -21.973 -3.284 5.779 1.00 12.00 C ATOM 378 C ASP A 24 -20.908 -3.457 6.873 1.00 12.00 C ATOM 379 O ASP A 24 -20.492 -4.566 7.174 1.00 12.00 O ATOM 380 CB ASP A 24 -22.910 -4.506 5.741 1.00 12.00 C ATOM 381 CG ASP A 24 -24.241 -4.171 5.034 1.00 12.00 C ATOM 382 OD1 ASP A 24 -24.470 -3.013 4.706 1.00 12.00 O ATOM 383 OD2 ASP A 24 -25.021 -5.090 4.844 1.00 12.00 O ATOM 0 H ASP A 24 -21.394 -3.952 3.829 1.00 12.00 H new ATOM 0 HA ASP A 24 -22.576 -2.398 5.978 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -22.417 -5.329 5.223 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -23.111 -4.845 6.757 1.00 12.00 H new ATOM 388 N ASN A 25 -20.444 -2.359 7.438 1.00 12.00 N ATOM 389 CA ASN A 25 -19.378 -2.423 8.485 1.00 12.00 C ATOM 390 C ASN A 25 -19.170 -1.030 9.081 1.00 12.00 C ATOM 391 O ASN A 25 -19.403 -0.029 8.422 1.00 12.00 O ATOM 392 CB ASN A 25 -18.069 -2.890 7.827 1.00 12.00 C ATOM 393 CG ASN A 25 -17.002 -3.210 8.885 1.00 12.00 C ATOM 394 OD1 ASN A 25 -17.309 -3.479 10.032 1.00 12.00 O ATOM 395 ND2 ASN A 25 -15.745 -3.203 8.537 1.00 12.00 N ATOM 0 H ASN A 25 -20.765 -1.417 7.213 1.00 12.00 H new ATOM 0 HA ASN A 25 -19.671 -3.117 9.273 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -18.259 -3.774 7.219 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.699 -2.115 7.156 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -15.024 -3.422 9.225 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -15.483 -2.978 7.577 1.00 12.00 H new ATOM 402 N ASN A 26 -18.721 -0.967 10.318 1.00 12.00 N ATOM 403 CA ASN A 26 -18.471 0.357 10.980 1.00 12.00 C ATOM 404 C ASN A 26 -17.284 1.068 10.306 1.00 12.00 C ATOM 405 O ASN A 26 -17.058 2.242 10.548 1.00 12.00 O ATOM 406 CB ASN A 26 -18.154 0.143 12.466 1.00 12.00 C ATOM 407 CG ASN A 26 -17.061 -0.920 12.615 1.00 12.00 C ATOM 408 OD1 ASN A 26 -15.936 -0.712 12.207 1.00 12.00 O ATOM 409 ND2 ASN A 26 -17.349 -2.060 13.184 1.00 12.00 N ATOM 0 H ASN A 26 -18.517 -1.781 10.898 1.00 12.00 H new ATOM 0 HA ASN A 26 -19.365 0.973 10.881 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -17.827 1.080 12.916 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -19.053 -0.169 12.998 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -16.629 -2.775 13.286 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -18.294 -2.235 13.527 1.00 12.00 H new ATOM 416 N ILE A 27 -16.528 0.370 9.467 1.00 12.00 N ATOM 417 CA ILE A 27 -15.356 1.008 8.777 1.00 12.00 C ATOM 418 C ILE A 27 -15.799 1.702 7.474 1.00 12.00 C ATOM 419 O ILE A 27 -14.967 2.132 6.690 1.00 12.00 O ATOM 420 CB ILE A 27 -14.311 -0.068 8.461 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.950 -0.811 9.750 1.00 12.00 C ATOM 422 CG2 ILE A 27 -13.053 0.587 7.883 1.00 12.00 C ATOM 423 CD1 ILE A 27 -13.018 -1.979 9.424 1.00 12.00 C ATOM 0 H ILE A 27 -16.679 -0.612 9.236 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.926 1.762 9.437 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.719 -0.768 7.732 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -13.466 -0.131 10.451 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.854 -1.178 10.236 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.313 -0.181 7.660 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -13.309 1.121 6.968 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -12.641 1.288 8.609 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -12.762 -2.507 10.342 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -13.518 -2.664 8.739 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -12.109 -1.600 8.958 1.00 12.00 H new ATOM 435 N TYR A 28 -17.097 1.822 7.243 1.00 12.00 N ATOM 436 CA TYR A 28 -17.604 2.494 5.995 1.00 12.00 C ATOM 437 C TYR A 28 -18.898 3.285 6.331 1.00 12.00 C ATOM 438 O TYR A 28 -19.973 2.972 5.830 1.00 12.00 O ATOM 439 CB TYR A 28 -17.914 1.425 4.931 1.00 12.00 C ATOM 440 CG TYR A 28 -16.636 0.889 4.350 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.844 1.710 3.543 1.00 12.00 C ATOM 442 CD2 TYR A 28 -16.249 -0.432 4.606 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.663 1.213 2.991 1.00 12.00 C ATOM 444 CE2 TYR A 28 -15.065 -0.930 4.052 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.271 -0.107 3.243 1.00 12.00 C ATOM 446 OH TYR A 28 -13.101 -0.595 2.696 1.00 12.00 O ATOM 0 H TYR A 28 -17.826 1.481 7.870 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.848 3.179 5.611 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.489 0.613 5.377 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.530 1.855 4.141 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -16.146 2.728 3.347 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.863 -1.065 5.230 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -14.050 1.848 2.368 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.763 -1.948 4.248 1.00 12.00 H new ATOM 0 HH TYR A 28 -13.007 -0.266 1.778 1.00 12.00 H new ATOM 456 N ILE A 29 -18.821 4.299 7.195 1.00 12.00 N ATOM 457 CA ILE A 29 -20.061 5.071 7.560 1.00 12.00 C ATOM 458 C ILE A 29 -19.729 6.532 7.858 1.00 12.00 C ATOM 459 O ILE A 29 -18.650 6.861 8.318 1.00 12.00 O ATOM 460 CB ILE A 29 -20.709 4.463 8.812 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.879 2.948 8.636 1.00 12.00 C ATOM 462 CG2 ILE A 29 -22.084 5.110 9.030 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.428 2.336 9.929 1.00 12.00 C ATOM 0 H ILE A 29 -17.964 4.613 7.650 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.744 5.018 6.712 1.00 12.00 H new ATOM 0 HB ILE A 29 -20.069 4.649 9.675 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.558 2.742 7.808 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.922 2.492 8.384 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -22.550 4.683 9.918 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.963 6.185 9.165 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -22.716 4.922 8.162 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.547 1.260 9.800 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -20.733 2.529 10.746 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -22.395 2.783 10.161 1.00 12.00 H new ATOM 475 N VAL A 30 -20.692 7.393 7.627 1.00 12.00 N ATOM 476 CA VAL A 30 -20.530 8.859 7.917 1.00 12.00 C ATOM 477 C VAL A 30 -21.285 9.155 9.226 1.00 12.00 C ATOM 478 O VAL A 30 -22.003 8.299 9.726 1.00 12.00 O ATOM 479 CB VAL A 30 -21.131 9.662 6.747 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.932 11.161 6.972 1.00 12.00 C ATOM 481 CG2 VAL A 30 -20.430 9.255 5.451 1.00 12.00 C ATOM 0 H VAL A 30 -21.602 7.139 7.242 1.00 12.00 H new ATOM 0 HA VAL A 30 -19.482 9.137 8.025 1.00 12.00 H new ATOM 0 HB VAL A 30 -22.199 9.451 6.683 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -21.362 11.714 6.137 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -21.425 11.459 7.897 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -19.867 11.380 7.042 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -20.850 9.819 4.618 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -19.364 9.467 5.532 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -20.576 8.189 5.278 1.00 12.00 H new ATOM 491 N GLY A 31 -21.130 10.337 9.797 1.00 12.00 N ATOM 492 CA GLY A 31 -21.841 10.652 11.078 1.00 12.00 C ATOM 493 C GLY A 31 -23.198 11.284 10.763 1.00 12.00 C ATOM 494 O GLY A 31 -23.534 12.343 11.267 1.00 12.00 O ATOM 0 H GLY A 31 -20.545 11.088 9.430 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.978 9.743 11.664 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -21.241 11.333 11.682 1.00 12.00 H new ATOM 498 N GLY A 32 -23.973 10.618 9.934 1.00 12.00 N ATOM 499 CA GLY A 32 -25.326 11.120 9.553 1.00 12.00 C ATOM 500 C GLY A 32 -26.127 9.981 8.911 1.00 12.00 C ATOM 501 O GLY A 32 -27.211 9.647 9.365 1.00 12.00 O ATOM 0 H GLY A 32 -23.715 9.732 9.500 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -25.848 11.496 10.433 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -25.234 11.953 8.856 1.00 12.00 H new ATOM 505 N GLN A 33 -25.596 9.390 7.853 1.00 12.00 N ATOM 506 CA GLN A 33 -26.305 8.267 7.153 1.00 12.00 C ATOM 507 C GLN A 33 -25.321 7.563 6.216 1.00 12.00 C ATOM 508 O GLN A 33 -24.929 6.432 6.449 1.00 12.00 O ATOM 509 CB GLN A 33 -27.474 8.837 6.340 1.00 12.00 C ATOM 510 CG GLN A 33 -28.697 7.934 6.497 1.00 12.00 C ATOM 511 CD GLN A 33 -29.967 8.767 6.326 1.00 12.00 C ATOM 512 OE1 GLN A 33 -30.187 9.352 5.284 1.00 12.00 O ATOM 513 NE2 GLN A 33 -30.817 8.850 7.312 1.00 12.00 N ATOM 0 H GLN A 33 -24.696 9.644 7.446 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.687 7.554 7.884 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.708 9.846 6.680 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.197 8.911 5.288 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.670 7.135 5.756 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.689 7.460 7.478 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -30.633 8.359 8.187 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -31.666 9.406 7.208 1.00 12.00 H new ATOM 522 N CYS A 34 -24.926 8.246 5.163 1.00 12.00 N ATOM 523 CA CYS A 34 -23.958 7.674 4.175 1.00 12.00 C ATOM 524 C CYS A 34 -22.994 8.781 3.733 1.00 12.00 C ATOM 525 O CYS A 34 -22.979 9.862 4.302 1.00 12.00 O ATOM 526 CB CYS A 34 -24.716 7.157 2.947 1.00 12.00 C ATOM 527 SG CYS A 34 -25.970 5.948 3.443 1.00 12.00 S ATOM 0 H CYS A 34 -25.241 9.192 4.946 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.409 6.852 4.635 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -25.190 7.990 2.427 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.017 6.700 2.246 1.00 12.00 H new ATOM 532 N LYS A 35 -22.204 8.519 2.713 1.00 12.00 N ATOM 533 CA LYS A 35 -21.243 9.546 2.200 1.00 12.00 C ATOM 534 C LYS A 35 -21.644 9.943 0.778 1.00 12.00 C ATOM 535 O LYS A 35 -22.464 9.287 0.154 1.00 12.00 O ATOM 536 CB LYS A 35 -19.819 8.978 2.196 1.00 12.00 C ATOM 537 CG LYS A 35 -18.836 10.067 2.635 1.00 12.00 C ATOM 538 CD LYS A 35 -17.494 9.867 1.927 1.00 12.00 C ATOM 539 CE LYS A 35 -16.740 11.200 1.878 1.00 12.00 C ATOM 540 NZ LYS A 35 -16.651 11.784 3.249 1.00 12.00 N ATOM 0 H LYS A 35 -22.186 7.630 2.213 1.00 12.00 H new ATOM 0 HA LYS A 35 -21.270 10.422 2.848 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.755 8.122 2.868 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.561 8.620 1.199 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -19.240 11.051 2.398 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.697 10.031 3.715 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -16.900 9.120 2.454 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.656 9.491 0.917 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.740 11.047 1.473 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -17.252 11.893 1.211 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.890 12.492 3.276 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -17.555 12.238 3.492 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.446 11.030 3.935 1.00 12.00 H new ATOM 554 N ARG A 36 -21.072 11.013 0.273 1.00 12.00 N ATOM 555 CA ARG A 36 -21.406 11.483 -1.112 1.00 12.00 C ATOM 556 C ARG A 36 -20.708 10.607 -2.158 1.00 12.00 C ATOM 557 O ARG A 36 -21.091 10.618 -3.317 1.00 12.00 O ATOM 558 CB ARG A 36 -20.953 12.934 -1.282 1.00 12.00 C ATOM 559 CG ARG A 36 -21.856 13.630 -2.304 1.00 12.00 C ATOM 560 CD ARG A 36 -21.449 15.100 -2.438 1.00 12.00 C ATOM 561 NE ARG A 36 -20.652 15.280 -3.685 1.00 12.00 N ATOM 562 CZ ARG A 36 -19.554 15.982 -3.658 1.00 12.00 C ATOM 563 NH1 ARG A 36 -18.685 15.800 -2.703 1.00 12.00 N ATOM 564 NH2 ARG A 36 -19.325 16.868 -4.589 1.00 12.00 N ATOM 0 H ARG A 36 -20.384 11.584 0.764 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.484 11.412 -1.255 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.998 13.455 -0.326 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -19.916 12.966 -1.615 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -21.778 13.132 -3.270 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -22.898 13.558 -1.991 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -22.336 15.734 -2.465 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -20.864 15.407 -1.571 1.00 12.00 H new ATOM 0 HE ARG A 36 -20.965 14.855 -4.558 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -18.864 15.108 -1.976 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -17.826 16.350 -2.683 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -20.005 17.010 -5.336 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -18.466 17.418 -4.569 1.00 12.00 H new ATOM 578 N VAL A 37 -19.695 9.854 -1.766 1.00 12.00 N ATOM 579 CA VAL A 37 -18.979 8.976 -2.753 1.00 12.00 C ATOM 580 C VAL A 37 -18.180 7.887 -2.033 1.00 12.00 C ATOM 581 O VAL A 37 -17.253 8.166 -1.289 1.00 12.00 O ATOM 582 CB VAL A 37 -18.041 9.835 -3.633 1.00 12.00 C ATOM 583 CG1 VAL A 37 -16.894 10.430 -2.803 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.454 8.956 -4.738 1.00 12.00 C ATOM 0 H VAL A 37 -19.338 9.812 -0.811 1.00 12.00 H new ATOM 0 HA VAL A 37 -19.720 8.489 -3.387 1.00 12.00 H new ATOM 0 HB VAL A 37 -18.619 10.654 -4.060 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.251 11.029 -3.448 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.305 11.060 -2.014 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.311 9.624 -2.357 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -16.791 9.553 -5.364 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -16.891 8.137 -4.291 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.261 8.551 -5.348 1.00 12.00 H new ATOM 594 N ASN A 38 -18.526 6.650 -2.297 1.00 12.00 N ATOM 595 CA ASN A 38 -17.798 5.487 -1.703 1.00 12.00 C ATOM 596 C ASN A 38 -17.122 4.765 -2.865 1.00 12.00 C ATOM 597 O ASN A 38 -17.683 3.859 -3.470 1.00 12.00 O ATOM 598 CB ASN A 38 -18.775 4.554 -0.972 1.00 12.00 C ATOM 599 CG ASN A 38 -19.617 5.369 0.015 1.00 12.00 C ATOM 600 OD1 ASN A 38 -20.214 6.362 -0.348 1.00 12.00 O ATOM 601 ND2 ASN A 38 -19.686 4.989 1.260 1.00 12.00 N ATOM 0 H ASN A 38 -19.298 6.394 -2.912 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.064 5.814 -0.966 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.422 4.052 -1.691 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.225 3.777 -0.442 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -20.241 5.526 1.927 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.185 4.155 1.567 1.00 12.00 H new ATOM 608 N THR A 39 -15.937 5.214 -3.214 1.00 12.00 N ATOM 609 CA THR A 39 -15.207 4.631 -4.373 1.00 12.00 C ATOM 610 C THR A 39 -14.374 3.424 -3.955 1.00 12.00 C ATOM 611 O THR A 39 -13.513 3.511 -3.095 1.00 12.00 O ATOM 612 CB THR A 39 -14.281 5.691 -4.972 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.989 6.915 -5.110 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.792 5.222 -6.343 1.00 12.00 C ATOM 0 H THR A 39 -15.445 5.968 -2.735 1.00 12.00 H new ATOM 0 HA THR A 39 -15.943 4.305 -5.108 1.00 12.00 H new ATOM 0 HB THR A 39 -13.425 5.842 -4.314 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.396 7.595 -5.492 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.132 5.976 -6.771 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.248 4.284 -6.234 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.647 5.071 -7.002 1.00 12.00 H new ATOM 622 N PHE A 40 -14.617 2.313 -4.601 1.00 12.00 N ATOM 623 CA PHE A 40 -13.850 1.057 -4.329 1.00 12.00 C ATOM 624 C PHE A 40 -12.936 0.817 -5.543 1.00 12.00 C ATOM 625 O PHE A 40 -13.152 1.411 -6.588 1.00 12.00 O ATOM 626 CB PHE A 40 -14.839 -0.111 -4.173 1.00 12.00 C ATOM 627 CG PHE A 40 -15.963 0.286 -3.239 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.676 0.791 -1.962 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.295 0.156 -3.654 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.719 1.163 -1.106 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.336 0.527 -2.796 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.049 1.032 -1.522 1.00 12.00 C ATOM 0 H PHE A 40 -15.332 2.220 -5.323 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.260 1.137 -3.416 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.244 -0.388 -5.146 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.322 -0.987 -3.782 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.650 0.893 -1.639 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.518 -0.231 -4.637 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.497 1.552 -0.123 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.362 0.424 -3.117 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.853 1.320 -0.861 1.00 12.00 H new ATOM 642 N ILE A 41 -11.923 -0.024 -5.430 1.00 12.00 N ATOM 643 CA ILE A 41 -11.020 -0.270 -6.605 1.00 12.00 C ATOM 644 C ILE A 41 -10.840 -1.777 -6.803 1.00 12.00 C ATOM 645 O ILE A 41 -10.576 -2.506 -5.861 1.00 12.00 O ATOM 646 CB ILE A 41 -9.673 0.431 -6.381 1.00 12.00 C ATOM 647 CG1 ILE A 41 -9.931 1.941 -6.254 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.744 0.163 -7.572 1.00 12.00 C ATOM 649 CD1 ILE A 41 -8.613 2.695 -6.045 1.00 12.00 C ATOM 0 H ILE A 41 -11.688 -0.543 -4.584 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.466 0.142 -7.510 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.199 0.053 -5.476 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.428 2.308 -7.152 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.603 2.132 -5.417 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.789 0.663 -7.408 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.580 -0.910 -7.671 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.202 0.546 -8.484 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -8.815 3.763 -5.957 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -8.132 2.340 -5.134 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -7.954 2.519 -6.895 1.00 12.00 H new ATOM 661 N ILE A 42 -10.996 -2.237 -8.031 1.00 12.00 N ATOM 662 CA ILE A 42 -10.850 -3.705 -8.332 1.00 12.00 C ATOM 663 C ILE A 42 -9.470 -3.954 -8.925 1.00 12.00 C ATOM 664 O ILE A 42 -9.196 -3.573 -10.050 1.00 12.00 O ATOM 665 CB ILE A 42 -11.920 -4.170 -9.338 1.00 12.00 C ATOM 666 CG1 ILE A 42 -13.288 -3.550 -9.001 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.033 -5.697 -9.286 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.717 -3.940 -7.580 1.00 12.00 C ATOM 0 H ILE A 42 -11.219 -1.656 -8.839 1.00 12.00 H new ATOM 0 HA ILE A 42 -10.976 -4.265 -7.406 1.00 12.00 H new ATOM 0 HB ILE A 42 -11.625 -3.848 -10.337 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -13.233 -2.465 -9.086 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -14.035 -3.889 -9.719 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -12.789 -6.030 -9.997 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -11.072 -6.142 -9.544 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -12.318 -6.007 -8.281 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -14.686 -3.494 -7.357 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -13.792 -5.025 -7.507 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -12.978 -3.579 -6.865 1.00 12.00 H new ATOM 680 N SER A 43 -8.604 -4.589 -8.165 1.00 12.00 N ATOM 681 CA SER A 43 -7.217 -4.882 -8.647 1.00 12.00 C ATOM 682 C SER A 43 -6.431 -5.572 -7.528 1.00 12.00 C ATOM 683 O SER A 43 -6.680 -5.336 -6.357 1.00 12.00 O ATOM 684 CB SER A 43 -6.516 -3.573 -9.030 1.00 12.00 C ATOM 685 OG SER A 43 -5.173 -3.849 -9.400 1.00 12.00 O ATOM 0 H SER A 43 -8.804 -4.919 -7.221 1.00 12.00 H new ATOM 0 HA SER A 43 -7.265 -5.533 -9.520 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.042 -3.094 -9.856 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.538 -2.877 -8.192 1.00 12.00 H new ATOM 0 HG SER A 43 -4.638 -3.032 -9.322 1.00 12.00 H new ATOM 691 N SER A 44 -5.483 -6.414 -7.888 1.00 12.00 N ATOM 692 CA SER A 44 -4.654 -7.132 -6.862 1.00 12.00 C ATOM 693 C SER A 44 -3.917 -6.092 -6.005 1.00 12.00 C ATOM 694 O SER A 44 -3.305 -5.175 -6.525 1.00 12.00 O ATOM 695 CB SER A 44 -3.649 -8.058 -7.565 1.00 12.00 C ATOM 696 OG SER A 44 -3.059 -7.371 -8.660 1.00 12.00 O ATOM 0 H SER A 44 -5.248 -6.635 -8.856 1.00 12.00 H new ATOM 0 HA SER A 44 -5.293 -7.739 -6.222 1.00 12.00 H new ATOM 0 HB2 SER A 44 -2.878 -8.376 -6.863 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.152 -8.959 -7.915 1.00 12.00 H new ATOM 0 HG SER A 44 -3.035 -6.410 -8.469 1.00 12.00 H new ATOM 702 N ALA A 45 -4.001 -6.220 -4.696 1.00 12.00 N ATOM 703 CA ALA A 45 -3.343 -5.242 -3.765 1.00 12.00 C ATOM 704 C ALA A 45 -1.864 -5.043 -4.123 1.00 12.00 C ATOM 705 O ALA A 45 -1.282 -4.024 -3.787 1.00 12.00 O ATOM 706 CB ALA A 45 -3.444 -5.773 -2.332 1.00 12.00 C ATOM 0 H ALA A 45 -4.506 -6.973 -4.228 1.00 12.00 H new ATOM 0 HA ALA A 45 -3.851 -4.282 -3.856 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -2.969 -5.069 -1.649 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.493 -5.890 -2.060 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -2.942 -6.738 -2.265 1.00 12.00 H new ATOM 712 N THR A 46 -1.253 -6.014 -4.771 1.00 12.00 N ATOM 713 CA THR A 46 0.201 -5.894 -5.125 1.00 12.00 C ATOM 714 C THR A 46 0.402 -5.125 -6.443 1.00 12.00 C ATOM 715 O THR A 46 1.384 -4.412 -6.581 1.00 12.00 O ATOM 716 CB THR A 46 0.832 -7.284 -5.199 1.00 12.00 C ATOM 717 OG1 THR A 46 2.214 -7.156 -5.504 1.00 12.00 O ATOM 718 CG2 THR A 46 0.148 -8.136 -6.274 1.00 12.00 C ATOM 0 H THR A 46 -1.699 -6.882 -5.069 1.00 12.00 H new ATOM 0 HA THR A 46 0.698 -5.321 -4.342 1.00 12.00 H new ATOM 0 HB THR A 46 0.706 -7.777 -4.235 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.622 -8.046 -5.551 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.614 -9.121 -6.309 1.00 12.00 H new ATOM 0 HG22 THR A 46 -0.910 -8.243 -6.035 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.253 -7.651 -7.244 1.00 12.00 H new ATOM 726 N THR A 47 -0.518 -5.225 -7.395 1.00 12.00 N ATOM 727 CA THR A 47 -0.370 -4.452 -8.678 1.00 12.00 C ATOM 728 C THR A 47 -0.407 -2.973 -8.317 1.00 12.00 C ATOM 729 O THR A 47 0.344 -2.169 -8.848 1.00 12.00 O ATOM 730 CB THR A 47 -1.516 -4.771 -9.645 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.723 -4.935 -8.919 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.197 -6.052 -10.420 1.00 12.00 C ATOM 0 H THR A 47 -1.355 -5.805 -7.334 1.00 12.00 H new ATOM 0 HA THR A 47 0.565 -4.720 -9.171 1.00 12.00 H new ATOM 0 HB THR A 47 -1.632 -3.947 -10.349 1.00 12.00 H new ATOM 0 HG1 THR A 47 -3.448 -4.464 -9.380 1.00 12.00 H new ATOM 0 HG21 THR A 47 -2.014 -6.275 -11.106 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.275 -5.915 -10.986 1.00 12.00 H new ATOM 0 HG23 THR A 47 -1.074 -6.879 -9.721 1.00 12.00 H new ATOM 740 N VAL A 48 -1.262 -2.634 -7.376 1.00 12.00 N ATOM 741 CA VAL A 48 -1.361 -1.225 -6.902 1.00 12.00 C ATOM 742 C VAL A 48 -0.090 -0.915 -6.105 1.00 12.00 C ATOM 743 O VAL A 48 0.439 0.184 -6.152 1.00 12.00 O ATOM 744 CB VAL A 48 -2.587 -1.066 -5.996 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.773 0.411 -5.650 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.831 -1.578 -6.726 1.00 12.00 C ATOM 0 H VAL A 48 -1.899 -3.285 -6.916 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.463 -0.544 -7.747 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.441 -1.640 -5.081 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.644 0.527 -5.006 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.887 0.778 -5.132 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.920 0.983 -6.566 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.703 -1.465 -6.082 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.978 -1.004 -7.640 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.699 -2.631 -6.976 1.00 12.00 H new ATOM 756 N LYS A 49 0.404 -1.904 -5.386 1.00 12.00 N ATOM 757 CA LYS A 49 1.650 -1.735 -4.578 1.00 12.00 C ATOM 758 C LYS A 49 2.821 -1.414 -5.519 1.00 12.00 C ATOM 759 O LYS A 49 3.806 -0.825 -5.103 1.00 12.00 O ATOM 760 CB LYS A 49 1.930 -3.040 -3.811 1.00 12.00 C ATOM 761 CG LYS A 49 3.210 -2.911 -2.974 1.00 12.00 C ATOM 762 CD LYS A 49 3.726 -4.306 -2.613 1.00 12.00 C ATOM 763 CE LYS A 49 5.131 -4.194 -2.016 1.00 12.00 C ATOM 764 NZ LYS A 49 5.385 -5.357 -1.119 1.00 12.00 N ATOM 0 H LYS A 49 -0.015 -2.832 -5.328 1.00 12.00 H new ATOM 0 HA LYS A 49 1.530 -0.918 -3.866 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.087 -3.275 -3.162 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.031 -3.867 -4.514 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.969 -2.364 -3.533 1.00 12.00 H new ATOM 0 HG3 LYS A 49 3.009 -2.340 -2.068 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.053 -4.780 -1.899 1.00 12.00 H new ATOM 0 HD3 LYS A 49 3.746 -4.938 -3.501 1.00 12.00 H new ATOM 0 HE2 LYS A 49 5.875 -4.166 -2.812 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.227 -3.263 -1.458 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.340 -5.281 -0.714 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 4.683 -5.364 -0.352 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 5.310 -6.239 -1.665 1.00 12.00 H new ATOM 778 N ALA A 50 2.717 -1.802 -6.780 1.00 12.00 N ATOM 779 CA ALA A 50 3.819 -1.534 -7.755 1.00 12.00 C ATOM 780 C ALA A 50 3.727 -0.093 -8.274 1.00 12.00 C ATOM 781 O ALA A 50 4.745 0.543 -8.492 1.00 12.00 O ATOM 782 CB ALA A 50 3.729 -2.531 -8.920 1.00 12.00 C ATOM 0 H ALA A 50 1.911 -2.293 -7.168 1.00 12.00 H new ATOM 0 HA ALA A 50 4.780 -1.659 -7.255 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.533 -2.335 -9.630 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.823 -3.547 -8.537 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.767 -2.420 -9.421 1.00 12.00 H new ATOM 788 N ILE A 51 2.524 0.423 -8.479 1.00 12.00 N ATOM 789 CA ILE A 51 2.378 1.826 -8.993 1.00 12.00 C ATOM 790 C ILE A 51 2.883 2.837 -7.945 1.00 12.00 C ATOM 791 O ILE A 51 3.252 3.949 -8.289 1.00 12.00 O ATOM 792 CB ILE A 51 0.906 2.111 -9.348 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.800 3.500 -9.988 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.024 2.060 -8.091 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.451 3.480 -11.372 1.00 12.00 C ATOM 0 H ILE A 51 1.646 -0.069 -8.312 1.00 12.00 H new ATOM 0 HA ILE A 51 2.982 1.933 -9.894 1.00 12.00 H new ATOM 0 HB ILE A 51 0.560 1.349 -10.047 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.246 3.794 -10.072 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.289 4.241 -9.356 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.011 2.264 -8.364 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.092 1.070 -7.639 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.365 2.809 -7.377 1.00 12.00 H new ATOM 0 HD11 ILE A 51 1.374 4.469 -11.825 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.501 3.206 -11.276 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.942 2.752 -12.003 1.00 12.00 H new ATOM 807 N CYS A 52 2.895 2.459 -6.677 1.00 12.00 N ATOM 808 CA CYS A 52 3.366 3.392 -5.603 1.00 12.00 C ATOM 809 C CYS A 52 4.790 3.008 -5.161 1.00 12.00 C ATOM 810 O CYS A 52 5.186 3.262 -4.032 1.00 12.00 O ATOM 811 CB CYS A 52 2.405 3.319 -4.405 1.00 12.00 C ATOM 812 SG CYS A 52 2.023 4.992 -3.822 1.00 12.00 S ATOM 0 H CYS A 52 2.597 1.541 -6.346 1.00 12.00 H new ATOM 0 HA CYS A 52 3.382 4.411 -5.990 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.488 2.806 -4.694 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.855 2.738 -3.601 1.00 12.00 H new ATOM 817 N THR A 53 5.558 2.406 -6.049 1.00 12.00 N ATOM 818 CA THR A 53 6.964 2.004 -5.707 1.00 12.00 C ATOM 819 C THR A 53 7.921 3.140 -6.070 1.00 12.00 C ATOM 820 O THR A 53 8.078 3.473 -7.234 1.00 12.00 O ATOM 821 CB THR A 53 7.351 0.750 -6.496 1.00 12.00 C ATOM 822 OG1 THR A 53 6.295 -0.198 -6.431 1.00 12.00 O ATOM 823 CG2 THR A 53 8.622 0.147 -5.891 1.00 12.00 C ATOM 0 H THR A 53 5.267 2.176 -6.999 1.00 12.00 H new ATOM 0 HA THR A 53 7.027 1.795 -4.639 1.00 12.00 H new ATOM 0 HB THR A 53 7.532 1.014 -7.538 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.721 0.004 -5.663 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.902 -0.746 -6.449 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.431 0.876 -5.943 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.439 -0.118 -4.850 1.00 12.00 H new ATOM 831 N GLY A 54 8.562 3.731 -5.079 1.00 12.00 N ATOM 832 CA GLY A 54 9.521 4.853 -5.346 1.00 12.00 C ATOM 833 C GLY A 54 10.453 5.050 -4.142 1.00 12.00 C ATOM 834 O GLY A 54 11.658 4.893 -4.259 1.00 12.00 O ATOM 0 H GLY A 54 8.459 3.481 -4.096 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.108 4.635 -6.238 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.970 5.773 -5.544 1.00 12.00 H new ATOM 838 N VAL A 55 9.900 5.400 -2.995 1.00 12.00 N ATOM 839 CA VAL A 55 10.732 5.624 -1.768 1.00 12.00 C ATOM 840 C VAL A 55 9.816 5.515 -0.519 1.00 12.00 C ATOM 841 O VAL A 55 8.687 5.062 -0.634 1.00 12.00 O ATOM 842 CB VAL A 55 11.434 7.003 -1.907 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.499 8.162 -1.536 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.689 7.044 -1.023 1.00 12.00 C ATOM 0 H VAL A 55 8.899 5.540 -2.861 1.00 12.00 H new ATOM 0 HA VAL A 55 11.512 4.872 -1.652 1.00 12.00 H new ATOM 0 HB VAL A 55 11.715 7.125 -2.953 1.00 12.00 H new ATOM 0 HG11 VAL A 55 11.030 9.108 -1.647 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.630 8.154 -2.195 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.172 8.049 -0.502 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.175 8.014 -1.126 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.406 6.889 0.018 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.378 6.258 -1.333 1.00 12.00 H new ATOM 854 N ILE A 56 10.286 5.897 0.665 1.00 12.00 N ATOM 855 CA ILE A 56 9.434 5.783 1.909 1.00 12.00 C ATOM 856 C ILE A 56 8.573 7.050 2.121 1.00 12.00 C ATOM 857 O ILE A 56 8.183 7.361 3.235 1.00 12.00 O ATOM 858 CB ILE A 56 10.351 5.575 3.121 1.00 12.00 C ATOM 859 CG1 ILE A 56 11.345 6.734 3.213 1.00 12.00 C ATOM 860 CG2 ILE A 56 11.120 4.261 2.970 1.00 12.00 C ATOM 861 CD1 ILE A 56 11.763 6.933 4.669 1.00 12.00 C ATOM 0 H ILE A 56 11.219 6.280 0.818 1.00 12.00 H new ATOM 0 HA ILE A 56 8.759 4.935 1.792 1.00 12.00 H new ATOM 0 HB ILE A 56 9.745 5.537 4.026 1.00 12.00 H new ATOM 0 HG12 ILE A 56 12.220 6.526 2.598 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.892 7.647 2.826 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.770 4.118 3.834 1.00 12.00 H new ATOM 0 HG22 ILE A 56 10.415 3.432 2.905 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.724 4.295 2.063 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.471 7.759 4.735 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.884 7.160 5.272 1.00 12.00 H new ATOM 0 HD13 ILE A 56 12.232 6.022 5.041 1.00 12.00 H new ATOM 873 N ASN A 57 8.273 7.761 1.056 1.00 12.00 N ATOM 874 CA ASN A 57 7.436 9.014 1.126 1.00 12.00 C ATOM 875 C ASN A 57 7.428 9.640 -0.267 1.00 12.00 C ATOM 876 O ASN A 57 8.469 10.045 -0.763 1.00 12.00 O ATOM 877 CB ASN A 57 8.054 10.017 2.101 1.00 12.00 C ATOM 878 CG ASN A 57 6.994 11.031 2.534 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.365 11.661 1.707 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.770 11.218 3.805 1.00 12.00 N ATOM 0 H ASN A 57 8.581 7.520 0.114 1.00 12.00 H new ATOM 0 HA ASN A 57 6.430 8.766 1.465 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.450 9.496 2.972 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.891 10.530 1.628 1.00 12.00 H new ATOM 0 HD21 ASN A 57 6.067 11.893 4.105 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.298 10.689 4.499 1.00 12.00 H new ATOM 887 N MET A 58 6.281 9.698 -0.910 1.00 12.00 N ATOM 888 CA MET A 58 6.225 10.274 -2.295 1.00 12.00 C ATOM 889 C MET A 58 4.799 10.681 -2.676 1.00 12.00 C ATOM 890 O MET A 58 3.851 10.457 -1.942 1.00 12.00 O ATOM 891 CB MET A 58 6.722 9.204 -3.274 1.00 12.00 C ATOM 892 CG MET A 58 7.412 9.859 -4.475 1.00 12.00 C ATOM 893 SD MET A 58 6.534 9.399 -5.989 1.00 12.00 S ATOM 894 CE MET A 58 7.492 10.430 -7.123 1.00 12.00 C ATOM 0 H MET A 58 5.388 9.374 -0.538 1.00 12.00 H new ATOM 0 HA MET A 58 6.849 11.167 -2.334 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.417 8.534 -2.768 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.884 8.596 -3.615 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.419 10.943 -4.359 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.452 9.538 -4.532 1.00 12.00 H new ATOM 0 HE1 MET A 58 7.115 10.302 -8.138 1.00 12.00 H new ATOM 0 HE2 MET A 58 7.399 11.476 -6.831 1.00 12.00 H new ATOM 0 HE3 MET A 58 8.541 10.135 -7.085 1.00 12.00 H new ATOM 904 N ASN A 59 4.665 11.256 -3.849 1.00 12.00 N ATOM 905 CA ASN A 59 3.337 11.683 -4.385 1.00 12.00 C ATOM 906 C ASN A 59 3.309 11.321 -5.874 1.00 12.00 C ATOM 907 O ASN A 59 4.120 11.816 -6.640 1.00 12.00 O ATOM 908 CB ASN A 59 3.176 13.197 -4.211 1.00 12.00 C ATOM 909 CG ASN A 59 1.774 13.620 -4.652 1.00 12.00 C ATOM 910 OD1 ASN A 59 1.514 13.744 -5.924 1.00 12.00 O flip ATOM 911 ND2 ASN A 59 0.908 13.840 -3.830 1.00 12.00 N flip ATOM 0 H ASN A 59 5.447 11.451 -4.474 1.00 12.00 H new ATOM 0 HA ASN A 59 2.524 11.188 -3.854 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.339 13.472 -3.169 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.927 13.723 -4.801 1.00 12.00 H new ATOM 0 HD21 ASN A 59 1.112 13.743 -2.835 1.00 12.00 H new ATOM 0 HD22 ASN A 59 -0.024 14.122 -4.134 1.00 12.00 H new ATOM 918 N VAL A 60 2.407 10.445 -6.280 1.00 12.00 N ATOM 919 CA VAL A 60 2.343 10.019 -7.716 1.00 12.00 C ATOM 920 C VAL A 60 0.898 9.659 -8.064 1.00 12.00 C ATOM 921 O VAL A 60 0.078 9.500 -7.182 1.00 12.00 O ATOM 922 CB VAL A 60 3.267 8.804 -7.907 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.847 7.681 -6.957 1.00 12.00 C ATOM 924 CG2 VAL A 60 3.195 8.300 -9.353 1.00 12.00 C ATOM 0 H VAL A 60 1.713 10.009 -5.673 1.00 12.00 H new ATOM 0 HA VAL A 60 2.670 10.824 -8.374 1.00 12.00 H new ATOM 0 HB VAL A 60 4.291 9.107 -7.687 1.00 12.00 H new ATOM 0 HG11 VAL A 60 3.504 6.822 -7.096 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.918 8.030 -5.927 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.819 7.389 -7.171 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.854 7.440 -9.472 1.00 12.00 H new ATOM 0 HG22 VAL A 60 2.171 8.007 -9.586 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.508 9.094 -10.031 1.00 12.00 H new ATOM 934 N LEU A 61 0.585 9.548 -9.341 1.00 12.00 N ATOM 935 CA LEU A 61 -0.815 9.217 -9.761 1.00 12.00 C ATOM 936 C LEU A 61 -0.832 7.995 -10.678 1.00 12.00 C ATOM 937 O LEU A 61 -0.180 7.980 -11.708 1.00 12.00 O ATOM 938 CB LEU A 61 -1.408 10.402 -10.529 1.00 12.00 C ATOM 939 CG LEU A 61 -1.221 11.692 -9.729 1.00 12.00 C ATOM 940 CD1 LEU A 61 0.136 12.308 -10.069 1.00 12.00 C ATOM 941 CD2 LEU A 61 -2.332 12.679 -10.095 1.00 12.00 C ATOM 0 H LEU A 61 1.244 9.674 -10.109 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.399 9.005 -8.866 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -0.924 10.494 -11.501 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -2.468 10.231 -10.716 1.00 12.00 H new ATOM 0 HG LEU A 61 -1.264 11.471 -8.663 1.00 12.00 H new ATOM 0 HD11 LEU A 61 0.271 13.228 -9.500 1.00 12.00 H new ATOM 0 HD12 LEU A 61 0.929 11.604 -9.815 1.00 12.00 H new ATOM 0 HD13 LEU A 61 0.177 12.532 -11.135 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -2.202 13.600 -9.527 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -2.285 12.901 -11.161 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -3.301 12.240 -9.858 1.00 12.00 H new ATOM 953 N SER A 62 -1.615 6.990 -10.326 1.00 12.00 N ATOM 954 CA SER A 62 -1.744 5.763 -11.191 1.00 12.00 C ATOM 955 C SER A 62 -2.243 6.224 -12.571 1.00 12.00 C ATOM 956 O SER A 62 -3.434 6.379 -12.784 1.00 12.00 O ATOM 957 CB SER A 62 -2.754 4.779 -10.573 1.00 12.00 C ATOM 958 OG SER A 62 -2.877 5.000 -9.170 1.00 12.00 O ATOM 0 H SER A 62 -2.172 6.969 -9.472 1.00 12.00 H new ATOM 0 HA SER A 62 -0.784 5.254 -11.275 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.726 4.899 -11.052 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.431 3.754 -10.758 1.00 12.00 H new ATOM 0 HG SER A 62 -2.781 4.148 -8.695 1.00 12.00 H new ATOM 964 N THR A 63 -1.327 6.493 -13.487 1.00 12.00 N ATOM 965 CA THR A 63 -1.715 6.999 -14.844 1.00 12.00 C ATOM 966 C THR A 63 -2.025 5.838 -15.793 1.00 12.00 C ATOM 967 O THR A 63 -2.734 6.016 -16.773 1.00 12.00 O ATOM 968 CB THR A 63 -0.566 7.835 -15.424 1.00 12.00 C ATOM 969 OG1 THR A 63 0.673 7.202 -15.134 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.578 9.241 -14.811 1.00 12.00 C ATOM 0 H THR A 63 -0.323 6.381 -13.345 1.00 12.00 H new ATOM 0 HA THR A 63 -2.610 7.612 -14.741 1.00 12.00 H new ATOM 0 HB THR A 63 -0.693 7.916 -16.504 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.407 7.734 -15.506 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.241 9.827 -15.229 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.526 9.729 -15.038 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.457 9.168 -13.730 1.00 12.00 H new ATOM 978 N THR A 64 -1.496 4.664 -15.519 1.00 12.00 N ATOM 979 CA THR A 64 -1.746 3.486 -16.407 1.00 12.00 C ATOM 980 C THR A 64 -3.259 3.203 -16.472 1.00 12.00 C ATOM 981 O THR A 64 -3.935 3.712 -17.350 1.00 12.00 O ATOM 982 CB THR A 64 -0.973 2.268 -15.877 1.00 12.00 C ATOM 983 OG1 THR A 64 0.415 2.570 -15.858 1.00 12.00 O ATOM 984 CG2 THR A 64 -1.216 1.065 -16.791 1.00 12.00 C ATOM 0 H THR A 64 -0.900 4.474 -14.714 1.00 12.00 H new ATOM 0 HA THR A 64 -1.394 3.699 -17.417 1.00 12.00 H new ATOM 0 HB THR A 64 -1.315 2.031 -14.870 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.913 1.797 -15.519 1.00 12.00 H new ATOM 0 HG21 THR A 64 -0.666 0.203 -16.412 1.00 12.00 H new ATOM 0 HG22 THR A 64 -2.281 0.835 -16.814 1.00 12.00 H new ATOM 0 HG23 THR A 64 -0.874 1.299 -17.799 1.00 12.00 H new ATOM 992 N ARG A 65 -3.790 2.402 -15.559 1.00 12.00 N ATOM 993 CA ARG A 65 -5.262 2.079 -15.566 1.00 12.00 C ATOM 994 C ARG A 65 -5.532 0.991 -14.506 1.00 12.00 C ATOM 995 O ARG A 65 -5.372 -0.189 -14.777 1.00 12.00 O ATOM 996 CB ARG A 65 -5.667 1.571 -16.979 1.00 12.00 C ATOM 997 CG ARG A 65 -7.045 0.887 -16.960 1.00 12.00 C ATOM 998 CD ARG A 65 -7.509 0.619 -18.391 1.00 12.00 C ATOM 999 NE ARG A 65 -8.531 -0.464 -18.381 1.00 12.00 N ATOM 1000 CZ ARG A 65 -8.215 -1.667 -18.774 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -7.320 -2.353 -18.118 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -8.796 -2.183 -19.822 1.00 12.00 N ATOM 0 H ARG A 65 -3.261 1.959 -14.808 1.00 12.00 H new ATOM 0 HA ARG A 65 -5.850 2.966 -15.331 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -5.685 2.409 -17.676 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -4.917 0.869 -17.343 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -6.989 -0.049 -16.405 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -7.768 1.520 -16.446 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -7.928 1.526 -18.826 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -6.662 0.330 -19.012 1.00 12.00 H new ATOM 0 HE ARG A 65 -9.480 -0.265 -18.066 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -6.868 -1.949 -17.298 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -7.073 -3.294 -18.425 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -9.496 -1.646 -20.333 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -8.550 -3.124 -20.130 1.00 12.00 H new ATOM 1016 N PHE A 66 -5.943 1.384 -13.314 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.233 0.371 -12.235 1.00 12.00 C ATOM 1018 C PHE A 66 -7.769 0.230 -12.065 1.00 12.00 C ATOM 1019 O PHE A 66 -8.306 0.436 -10.993 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.563 0.824 -10.923 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.064 0.609 -11.021 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.235 1.623 -11.530 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.499 -0.612 -10.615 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -1.854 1.415 -11.629 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.118 -0.814 -10.720 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.297 0.198 -11.228 1.00 12.00 C ATOM 0 H PHE A 66 -6.089 2.356 -13.043 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.829 -0.604 -12.508 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -5.779 1.876 -10.736 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -5.968 0.261 -10.082 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -3.663 2.563 -11.845 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.131 -1.395 -10.222 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.218 2.197 -12.016 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.685 -1.753 -10.408 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.232 0.039 -11.310 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.456 -0.121 -13.152 1.00 12.00 N ATOM 1037 CA GLN A 67 -9.971 -0.301 -13.197 1.00 12.00 C ATOM 1038 C GLN A 67 -10.676 -0.149 -11.832 1.00 12.00 C ATOM 1039 O GLN A 67 -10.464 -0.950 -10.934 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.275 -1.696 -13.751 1.00 12.00 C ATOM 1041 CG GLN A 67 -9.629 -2.755 -12.855 1.00 12.00 C ATOM 1042 CD GLN A 67 -9.286 -3.987 -13.694 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -10.156 -4.767 -14.032 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -8.049 -4.195 -14.050 1.00 12.00 N ATOM 0 H GLN A 67 -8.006 -0.298 -14.050 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.359 0.497 -13.831 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -11.353 -1.853 -13.798 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -9.895 -1.785 -14.769 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -8.728 -2.354 -12.391 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -10.308 -3.028 -12.048 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -7.320 -3.541 -13.766 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -7.811 -5.012 -14.612 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.504 0.878 -11.676 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.214 1.089 -10.368 1.00 12.00 C ATOM 1055 C LEU A 68 -13.705 0.704 -10.425 1.00 12.00 C ATOM 1056 O LEU A 68 -14.339 0.702 -11.472 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.113 2.566 -9.920 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.321 3.567 -11.082 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.585 3.248 -11.883 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.484 4.971 -10.495 1.00 12.00 C ATOM 0 H LEU A 68 -11.712 1.569 -12.397 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.716 0.435 -9.653 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.857 2.757 -9.146 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.135 2.737 -9.471 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.457 3.500 -11.743 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.697 3.972 -12.690 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.506 2.246 -12.304 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.454 3.299 -11.227 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.632 5.688 -11.303 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.348 4.990 -9.831 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.589 5.237 -9.933 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.255 0.438 -9.258 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.713 0.119 -9.102 1.00 12.00 C ATOM 1074 C ASN A 69 -16.274 1.235 -8.212 1.00 12.00 C ATOM 1075 O ASN A 69 -16.089 1.205 -7.007 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.896 -1.230 -8.393 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.269 -1.811 -8.737 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -18.265 -1.439 -8.150 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -17.361 -2.720 -9.667 1.00 12.00 N ATOM 0 H ASN A 69 -13.734 0.429 -8.381 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.214 0.056 -10.068 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.111 -1.922 -8.698 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.805 -1.100 -7.315 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.270 -3.119 -9.902 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -16.524 -3.032 -10.160 1.00 12.00 H new ATOM 1086 N THR A 70 -16.889 2.247 -8.792 1.00 12.00 N ATOM 1087 CA THR A 70 -17.376 3.405 -7.961 1.00 12.00 C ATOM 1088 C THR A 70 -18.873 3.344 -7.676 1.00 12.00 C ATOM 1089 O THR A 70 -19.692 3.286 -8.576 1.00 12.00 O ATOM 1090 CB THR A 70 -17.075 4.708 -8.709 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.733 4.680 -9.173 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.265 5.903 -7.768 1.00 12.00 C ATOM 0 H THR A 70 -17.073 2.321 -9.792 1.00 12.00 H new ATOM 0 HA THR A 70 -16.858 3.358 -7.003 1.00 12.00 H new ATOM 0 HB THR A 70 -17.756 4.807 -9.554 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.536 5.511 -9.654 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.050 6.827 -8.305 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.294 5.923 -7.409 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.587 5.810 -6.920 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.213 3.448 -6.409 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.646 3.500 -5.983 1.00 12.00 C ATOM 1102 C CYS A 71 -20.821 4.927 -5.474 1.00 12.00 C ATOM 1103 O CYS A 71 -20.296 5.268 -4.430 1.00 12.00 O ATOM 1104 CB CYS A 71 -20.923 2.490 -4.853 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.632 0.799 -5.446 1.00 12.00 S ATOM 0 H CYS A 71 -18.543 3.500 -5.642 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.332 3.246 -6.792 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.278 2.701 -4.000 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -21.952 2.591 -4.508 1.00 12.00 H new ATOM 1110 N THR A 72 -21.482 5.778 -6.231 1.00 12.00 N ATOM 1111 CA THR A 72 -21.607 7.219 -5.820 1.00 12.00 C ATOM 1112 C THR A 72 -23.012 7.550 -5.308 1.00 12.00 C ATOM 1113 O THR A 72 -24.002 7.033 -5.801 1.00 12.00 O ATOM 1114 CB THR A 72 -21.294 8.109 -7.035 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.172 7.582 -7.731 1.00 12.00 O ATOM 1116 CG2 THR A 72 -20.981 9.538 -6.581 1.00 12.00 C ATOM 0 H THR A 72 -21.938 5.538 -7.111 1.00 12.00 H new ATOM 0 HA THR A 72 -20.904 7.401 -5.007 1.00 12.00 H new ATOM 0 HB THR A 72 -22.164 8.127 -7.692 1.00 12.00 H new ATOM 0 HG1 THR A 72 -19.973 8.147 -8.506 1.00 12.00 H new ATOM 0 HG21 THR A 72 -20.761 10.156 -7.451 1.00 12.00 H new ATOM 0 HG22 THR A 72 -21.841 9.948 -6.052 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.117 9.528 -5.916 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.086 8.436 -4.331 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.400 8.866 -3.763 1.00 12.00 C ATOM 1126 C ARG A 73 -25.147 9.691 -4.814 1.00 12.00 C ATOM 1127 O ARG A 73 -24.548 10.501 -5.505 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.162 9.720 -2.514 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.419 9.718 -1.643 1.00 12.00 C ATOM 1130 CD ARG A 73 -25.334 10.851 -0.616 1.00 12.00 C ATOM 1131 NE ARG A 73 -25.693 12.140 -1.270 1.00 12.00 N ATOM 1132 CZ ARG A 73 -26.401 13.026 -0.624 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -26.144 13.282 0.631 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -27.365 13.658 -1.234 1.00 12.00 N ATOM 0 H ARG A 73 -22.275 8.881 -3.902 1.00 12.00 H new ATOM 0 HA ARG A 73 -24.991 7.991 -3.491 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.316 9.328 -1.949 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -23.909 10.740 -2.802 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.305 9.843 -2.265 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.520 8.759 -1.134 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -26.009 10.653 0.217 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -24.327 10.908 -0.204 1.00 12.00 H new ATOM 0 HE ARG A 73 -25.385 12.331 -2.224 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -25.389 12.789 1.108 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -26.698 13.975 1.134 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.565 13.460 -2.214 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -27.919 14.351 -0.731 1.00 12.00 H new ATOM 1148 N THR A 74 -26.445 9.485 -4.946 1.00 12.00 N ATOM 1149 CA THR A 74 -27.242 10.248 -5.965 1.00 12.00 C ATOM 1150 C THR A 74 -28.339 11.078 -5.277 1.00 12.00 C ATOM 1151 O THR A 74 -28.146 12.255 -5.014 1.00 12.00 O ATOM 1152 CB THR A 74 -27.864 9.272 -6.974 1.00 12.00 C ATOM 1153 OG1 THR A 74 -28.290 8.092 -6.307 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.825 8.907 -8.036 1.00 12.00 C ATOM 0 H THR A 74 -26.983 8.820 -4.390 1.00 12.00 H new ATOM 0 HA THR A 74 -26.578 10.931 -6.495 1.00 12.00 H new ATOM 0 HB THR A 74 -28.723 9.747 -7.448 1.00 12.00 H new ATOM 0 HG1 THR A 74 -28.687 7.475 -6.956 1.00 12.00 H new ATOM 0 HG21 THR A 74 -27.265 8.214 -8.753 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.503 9.810 -8.555 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.966 8.437 -7.558 1.00 12.00 H new ATOM 1162 N SER A 75 -29.487 10.484 -4.999 1.00 12.00 N ATOM 1163 CA SER A 75 -30.607 11.242 -4.341 1.00 12.00 C ATOM 1164 C SER A 75 -31.227 10.395 -3.223 1.00 12.00 C ATOM 1165 O SER A 75 -31.787 9.340 -3.472 1.00 12.00 O ATOM 1166 CB SER A 75 -31.675 11.578 -5.387 1.00 12.00 C ATOM 1167 OG SER A 75 -31.042 12.034 -6.576 1.00 12.00 O ATOM 0 H SER A 75 -29.693 9.506 -5.201 1.00 12.00 H new ATOM 0 HA SER A 75 -30.214 12.163 -3.910 1.00 12.00 H new ATOM 0 HB2 SER A 75 -32.282 10.698 -5.599 1.00 12.00 H new ATOM 0 HB3 SER A 75 -32.348 12.344 -5.003 1.00 12.00 H new ATOM 0 HG SER A 75 -31.723 12.248 -7.248 1.00 12.00 H new ATOM 1173 N ILE A 76 -31.121 10.862 -1.995 1.00 12.00 N ATOM 1174 CA ILE A 76 -31.684 10.116 -0.823 1.00 12.00 C ATOM 1175 C ILE A 76 -33.208 10.050 -0.931 1.00 12.00 C ATOM 1176 O ILE A 76 -33.882 11.066 -0.974 1.00 12.00 O ATOM 1177 CB ILE A 76 -31.290 10.832 0.474 1.00 12.00 C ATOM 1178 CG1 ILE A 76 -29.761 10.984 0.530 1.00 12.00 C ATOM 1179 CG2 ILE A 76 -31.763 10.017 1.681 1.00 12.00 C ATOM 1180 CD1 ILE A 76 -29.397 12.341 1.142 1.00 12.00 C ATOM 0 H ILE A 76 -30.661 11.741 -1.756 1.00 12.00 H new ATOM 0 HA ILE A 76 -31.284 9.102 -0.816 1.00 12.00 H new ATOM 0 HB ILE A 76 -31.758 11.816 0.497 1.00 12.00 H new ATOM 0 HG12 ILE A 76 -29.328 10.179 1.124 1.00 12.00 H new ATOM 0 HG13 ILE A 76 -29.341 10.902 -0.473 1.00 12.00 H new ATOM 0 HG21 ILE A 76 -31.480 10.530 2.600 1.00 12.00 H new ATOM 0 HG22 ILE A 76 -32.847 9.909 1.645 1.00 12.00 H new ATOM 0 HG23 ILE A 76 -31.299 9.031 1.659 1.00 12.00 H new ATOM 0 HD11 ILE A 76 -28.313 12.444 1.180 1.00 12.00 H new ATOM 0 HD12 ILE A 76 -29.816 13.140 0.531 1.00 12.00 H new ATOM 0 HD13 ILE A 76 -29.803 12.405 2.152 1.00 12.00 H new ATOM 1192 N THR A 77 -33.740 8.849 -0.955 1.00 12.00 N ATOM 1193 CA THR A 77 -35.222 8.652 -1.039 1.00 12.00 C ATOM 1194 C THR A 77 -35.528 7.142 -0.984 1.00 12.00 C ATOM 1195 O THR A 77 -36.229 6.714 -0.084 1.00 12.00 O ATOM 1196 CB THR A 77 -35.809 9.280 -2.330 1.00 12.00 C ATOM 1197 OG1 THR A 77 -34.768 9.782 -3.163 1.00 12.00 O ATOM 1198 CG2 THR A 77 -36.759 10.429 -1.969 1.00 12.00 C ATOM 0 H THR A 77 -33.200 7.984 -0.919 1.00 12.00 H new ATOM 0 HA THR A 77 -35.692 9.157 -0.195 1.00 12.00 H new ATOM 0 HB THR A 77 -36.354 8.504 -2.868 1.00 12.00 H new ATOM 0 HG1 THR A 77 -35.157 10.173 -3.973 1.00 12.00 H new ATOM 0 HG21 THR A 77 -37.167 10.864 -2.881 1.00 12.00 H new ATOM 0 HG22 THR A 77 -37.574 10.048 -1.353 1.00 12.00 H new ATOM 0 HG23 THR A 77 -36.213 11.193 -1.415 1.00 12.00 H new ATOM 1206 N PRO A 78 -34.988 6.363 -1.923 1.00 12.00 N ATOM 1207 CA PRO A 78 -35.200 4.901 -1.943 1.00 12.00 C ATOM 1208 C PRO A 78 -34.249 4.222 -0.955 1.00 12.00 C ATOM 1209 O PRO A 78 -33.236 4.788 -0.579 1.00 12.00 O ATOM 1210 CB PRO A 78 -34.841 4.496 -3.373 1.00 12.00 C ATOM 1211 CG PRO A 78 -33.905 5.601 -3.915 1.00 12.00 C ATOM 1212 CD PRO A 78 -34.138 6.850 -3.042 1.00 12.00 C ATOM 0 HA PRO A 78 -36.214 4.616 -1.663 1.00 12.00 H new ATOM 0 HB2 PRO A 78 -34.346 3.525 -3.389 1.00 12.00 H new ATOM 0 HB3 PRO A 78 -35.736 4.408 -3.989 1.00 12.00 H new ATOM 0 HG2 PRO A 78 -32.863 5.284 -3.866 1.00 12.00 H new ATOM 0 HG3 PRO A 78 -34.124 5.814 -4.961 1.00 12.00 H new ATOM 0 HD2 PRO A 78 -33.197 7.261 -2.677 1.00 12.00 H new ATOM 0 HD3 PRO A 78 -34.635 7.641 -3.604 1.00 12.00 H new ATOM 1220 N ARG A 79 -34.567 3.011 -0.546 1.00 12.00 N ATOM 1221 CA ARG A 79 -33.687 2.270 0.407 1.00 12.00 C ATOM 1222 C ARG A 79 -33.101 1.033 -0.310 1.00 12.00 C ATOM 1223 O ARG A 79 -33.793 0.435 -1.116 1.00 12.00 O ATOM 1224 CB ARG A 79 -34.505 1.830 1.620 1.00 12.00 C ATOM 1225 CG ARG A 79 -34.490 2.941 2.673 1.00 12.00 C ATOM 1226 CD ARG A 79 -35.556 3.989 2.335 1.00 12.00 C ATOM 1227 NE ARG A 79 -35.053 5.347 2.696 1.00 12.00 N ATOM 1228 CZ ARG A 79 -35.595 6.003 3.689 1.00 12.00 C ATOM 1229 NH1 ARG A 79 -35.801 5.407 4.830 1.00 12.00 N ATOM 1230 NH2 ARG A 79 -35.929 7.256 3.540 1.00 12.00 N ATOM 0 H ARG A 79 -35.404 2.506 -0.836 1.00 12.00 H new ATOM 0 HA ARG A 79 -32.875 2.915 0.742 1.00 12.00 H new ATOM 0 HB2 ARG A 79 -35.530 1.611 1.321 1.00 12.00 H new ATOM 0 HB3 ARG A 79 -34.092 0.912 2.038 1.00 12.00 H new ATOM 0 HG2 ARG A 79 -34.680 2.521 3.661 1.00 12.00 H new ATOM 0 HG3 ARG A 79 -33.506 3.408 2.709 1.00 12.00 H new ATOM 0 HD2 ARG A 79 -35.796 3.949 1.272 1.00 12.00 H new ATOM 0 HD3 ARG A 79 -36.477 3.775 2.878 1.00 12.00 H new ATOM 0 HE ARG A 79 -34.286 5.764 2.168 1.00 12.00 H new ATOM 0 HH11 ARG A 79 -35.539 4.428 4.949 1.00 12.00 H new ATOM 0 HH12 ARG A 79 -36.224 5.919 5.604 1.00 12.00 H new ATOM 0 HH21 ARG A 79 -35.767 7.724 2.648 1.00 12.00 H new ATOM 0 HH22 ARG A 79 -36.352 7.767 4.315 1.00 12.00 H new ATOM 1244 N PRO A 80 -31.844 0.678 -0.027 1.00 12.00 N ATOM 1245 CA PRO A 80 -30.959 1.376 0.944 1.00 12.00 C ATOM 1246 C PRO A 80 -30.497 2.727 0.384 1.00 12.00 C ATOM 1247 O PRO A 80 -31.099 3.250 -0.539 1.00 12.00 O ATOM 1248 CB PRO A 80 -29.784 0.406 1.128 1.00 12.00 C ATOM 1249 CG PRO A 80 -29.764 -0.503 -0.118 1.00 12.00 C ATOM 1250 CD PRO A 80 -31.186 -0.469 -0.702 1.00 12.00 C ATOM 0 HA PRO A 80 -31.455 1.607 1.887 1.00 12.00 H new ATOM 0 HB2 PRO A 80 -28.844 0.950 1.226 1.00 12.00 H new ATOM 0 HB3 PRO A 80 -29.907 -0.184 2.036 1.00 12.00 H new ATOM 0 HG2 PRO A 80 -29.036 -0.147 -0.847 1.00 12.00 H new ATOM 0 HG3 PRO A 80 -29.477 -1.520 0.148 1.00 12.00 H new ATOM 0 HD2 PRO A 80 -31.167 -0.334 -1.783 1.00 12.00 H new ATOM 0 HD3 PRO A 80 -31.717 -1.401 -0.507 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.449 3.301 0.953 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.930 4.642 0.494 1.00 12.00 C ATOM 1260 C CYS A 81 -28.892 4.707 -1.055 1.00 12.00 C ATOM 1261 O CYS A 81 -28.854 3.668 -1.689 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.517 4.854 1.062 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.516 6.283 2.181 1.00 12.00 S ATOM 0 H CYS A 81 -28.926 2.890 1.726 1.00 12.00 H new ATOM 0 HA CYS A 81 -29.594 5.427 0.854 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -27.192 3.961 1.596 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.808 5.015 0.250 1.00 12.00 H new ATOM 1268 N PRO A 82 -28.917 5.913 -1.630 1.00 12.00 N ATOM 1269 CA PRO A 82 -28.904 6.076 -3.105 1.00 12.00 C ATOM 1270 C PRO A 82 -27.492 5.851 -3.643 1.00 12.00 C ATOM 1271 O PRO A 82 -26.618 6.663 -3.415 1.00 12.00 O ATOM 1272 CB PRO A 82 -29.301 7.537 -3.317 1.00 12.00 C ATOM 1273 CG PRO A 82 -28.931 8.270 -2.013 1.00 12.00 C ATOM 1274 CD PRO A 82 -28.955 7.209 -0.898 1.00 12.00 C ATOM 0 HA PRO A 82 -29.565 5.372 -3.612 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -28.773 7.965 -4.169 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -30.367 7.626 -3.526 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -27.946 8.729 -2.091 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -29.640 9.071 -1.803 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.101 7.314 -0.229 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -29.852 7.295 -0.285 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.268 4.770 -4.359 1.00 12.00 N ATOM 1283 CA TYR A 83 -25.899 4.507 -4.921 1.00 12.00 C ATOM 1284 C TYR A 83 -25.996 3.856 -6.297 1.00 12.00 C ATOM 1285 O TYR A 83 -26.734 2.907 -6.501 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.102 3.595 -3.981 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.457 4.436 -2.908 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.218 4.933 -1.843 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.094 4.729 -2.989 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.609 5.722 -0.860 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.487 5.517 -2.011 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.243 6.014 -0.944 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.643 6.789 0.030 1.00 12.00 O ATOM 0 H TYR A 83 -27.969 4.062 -4.578 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.385 5.464 -5.017 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.760 2.851 -3.531 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.341 3.051 -4.541 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.272 4.708 -1.780 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.508 4.345 -3.811 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.193 6.105 -0.037 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.433 5.743 -2.078 1.00 12.00 H new ATOM 0 HH TYR A 83 -21.669 6.740 -0.067 1.00 12.00 H new ATOM 1303 N SER A 84 -25.222 4.365 -7.225 1.00 12.00 N ATOM 1304 CA SER A 84 -25.192 3.801 -8.622 1.00 12.00 C ATOM 1305 C SER A 84 -23.767 3.326 -8.891 1.00 12.00 C ATOM 1306 O SER A 84 -22.819 4.058 -8.658 1.00 12.00 O ATOM 1307 CB SER A 84 -25.579 4.878 -9.645 1.00 12.00 C ATOM 1308 OG SER A 84 -26.111 4.251 -10.805 1.00 12.00 O ATOM 0 H SER A 84 -24.599 5.159 -7.076 1.00 12.00 H new ATOM 0 HA SER A 84 -25.903 2.980 -8.713 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.314 5.558 -9.215 1.00 12.00 H new ATOM 0 HB3 SER A 84 -24.707 5.477 -9.908 1.00 12.00 H new ATOM 0 HG SER A 84 -26.361 4.935 -11.461 1.00 12.00 H new ATOM 1314 N SER A 85 -23.610 2.102 -9.349 1.00 12.00 N ATOM 1315 CA SER A 85 -22.237 1.552 -9.605 1.00 12.00 C ATOM 1316 C SER A 85 -21.849 1.714 -11.078 1.00 12.00 C ATOM 1317 O SER A 85 -22.667 1.556 -11.969 1.00 12.00 O ATOM 1318 CB SER A 85 -22.192 0.066 -9.234 1.00 12.00 C ATOM 1319 OG SER A 85 -20.836 -0.346 -9.124 1.00 12.00 O ATOM 0 H SER A 85 -24.375 1.460 -9.556 1.00 12.00 H new ATOM 0 HA SER A 85 -21.530 2.109 -8.991 1.00 12.00 H new ATOM 0 HB2 SER A 85 -22.713 -0.102 -8.292 1.00 12.00 H new ATOM 0 HB3 SER A 85 -22.704 -0.526 -9.992 1.00 12.00 H new ATOM 0 HG SER A 85 -20.801 -1.296 -8.885 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.590 2.014 -11.317 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.070 2.182 -12.713 1.00 12.00 C ATOM 1327 C ARG A 86 -18.581 1.814 -12.722 1.00 12.00 C ATOM 1328 O ARG A 86 -17.809 2.342 -11.937 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.251 3.635 -13.166 1.00 12.00 C ATOM 1330 CG ARG A 86 -19.939 3.751 -14.661 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.136 3.261 -15.481 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.183 4.322 -15.518 1.00 12.00 N ATOM 1333 CZ ARG A 86 -23.444 4.001 -15.396 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -23.893 3.547 -14.260 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -24.253 4.135 -16.411 1.00 12.00 N ATOM 0 H ARG A 86 -19.890 2.152 -10.588 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.619 1.535 -13.397 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.272 3.963 -12.971 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.592 4.289 -12.595 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.712 4.786 -14.915 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -19.055 3.162 -14.904 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -20.819 3.013 -16.494 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.542 2.350 -15.042 1.00 12.00 H new ATOM 0 HE ARG A 86 -21.915 5.299 -15.639 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -23.260 3.442 -13.467 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -24.877 3.296 -14.164 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -23.901 4.490 -17.300 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -25.237 3.884 -16.315 1.00 12.00 H new ATOM 1349 N THR A 87 -18.184 0.901 -13.590 1.00 12.00 N ATOM 1350 CA THR A 87 -16.747 0.470 -13.646 1.00 12.00 C ATOM 1351 C THR A 87 -16.069 1.071 -14.877 1.00 12.00 C ATOM 1352 O THR A 87 -16.695 1.253 -15.909 1.00 12.00 O ATOM 1353 CB THR A 87 -16.678 -1.059 -13.724 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.635 -1.623 -12.839 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.280 -1.529 -13.325 1.00 12.00 C ATOM 0 H THR A 87 -18.797 0.438 -14.261 1.00 12.00 H new ATOM 0 HA THR A 87 -16.234 0.818 -12.749 1.00 12.00 H new ATOM 0 HB THR A 87 -16.892 -1.379 -14.744 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.592 -2.601 -12.890 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.232 -2.617 -13.381 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.544 -1.098 -14.003 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.065 -1.208 -12.306 1.00 12.00 H new ATOM 1363 N GLU A 88 -14.792 1.376 -14.764 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.036 1.968 -15.918 1.00 12.00 C ATOM 1365 C GLU A 88 -12.552 2.102 -15.550 1.00 12.00 C ATOM 1366 O GLU A 88 -12.121 1.604 -14.532 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.620 3.348 -16.251 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.261 3.314 -17.642 1.00 12.00 C ATOM 1369 CD GLU A 88 -14.163 3.237 -18.703 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -13.397 4.181 -18.803 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -14.104 2.234 -19.393 1.00 12.00 O ATOM 0 H GLU A 88 -14.240 1.239 -13.917 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.127 1.317 -16.788 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.363 3.629 -15.504 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -13.835 4.103 -16.220 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.926 2.455 -17.728 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -15.870 4.205 -17.796 1.00 12.00 H new ATOM 1378 N THR A 89 -11.778 2.773 -16.385 1.00 12.00 N ATOM 1379 CA THR A 89 -10.309 2.958 -16.115 1.00 12.00 C ATOM 1380 C THR A 89 -10.122 3.783 -14.843 1.00 12.00 C ATOM 1381 O THR A 89 -10.787 4.789 -14.650 1.00 12.00 O ATOM 1382 CB THR A 89 -9.664 3.690 -17.310 1.00 12.00 C ATOM 1383 OG1 THR A 89 -9.837 2.910 -18.485 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.165 3.901 -17.061 1.00 12.00 C ATOM 0 H THR A 89 -12.107 3.203 -17.249 1.00 12.00 H new ATOM 0 HA THR A 89 -9.834 1.986 -15.983 1.00 12.00 H new ATOM 0 HB THR A 89 -10.143 4.661 -17.431 1.00 12.00 H new ATOM 0 HG1 THR A 89 -9.430 3.372 -19.247 1.00 12.00 H new ATOM 0 HG21 THR A 89 -7.724 4.419 -17.913 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.026 4.500 -16.161 1.00 12.00 H new ATOM 0 HG23 THR A 89 -7.678 2.934 -16.932 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.226 3.352 -13.970 1.00 12.00 N ATOM 1393 CA ASN A 90 -8.999 4.105 -12.694 1.00 12.00 C ATOM 1394 C ASN A 90 -7.667 4.864 -12.699 1.00 12.00 C ATOM 1395 O ASN A 90 -6.641 4.362 -12.254 1.00 12.00 O ATOM 1396 CB ASN A 90 -9.016 3.155 -11.488 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.112 3.937 -10.156 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.319 5.236 -10.134 1.00 12.00 O flip ATOM 1399 ND2 ASN A 90 -8.991 3.343 -9.103 1.00 12.00 N flip ATOM 0 H ASN A 90 -8.650 2.519 -14.090 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.813 4.826 -12.614 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.861 2.472 -11.573 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.112 2.546 -11.490 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.830 2.336 -9.101 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -9.050 3.852 -8.221 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.710 6.101 -13.122 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.485 6.971 -13.068 1.00 12.00 C ATOM 1408 C TYR A 91 -6.574 7.649 -11.704 1.00 12.00 C ATOM 1409 O TYR A 91 -7.461 8.455 -11.481 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.438 8.032 -14.194 1.00 12.00 C ATOM 1411 CG TYR A 91 -7.825 8.412 -14.664 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -8.421 7.698 -15.708 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.508 9.480 -14.067 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -9.699 8.045 -16.157 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -9.788 9.831 -14.517 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.383 9.113 -15.563 1.00 12.00 C ATOM 1417 OH TYR A 91 -11.640 9.460 -16.010 1.00 12.00 O ATOM 0 H TYR A 91 -8.541 6.552 -13.505 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.580 6.379 -13.208 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -5.919 8.921 -13.835 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -5.862 7.645 -15.035 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -7.893 6.876 -16.169 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -8.048 10.032 -13.261 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.158 7.490 -16.961 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.315 10.654 -14.058 1.00 12.00 H new ATOM 0 HH TYR A 91 -11.974 10.221 -15.490 1.00 12.00 H new ATOM 1427 N ILE A 92 -5.739 7.250 -10.762 1.00 12.00 N ATOM 1428 CA ILE A 92 -5.868 7.792 -9.362 1.00 12.00 C ATOM 1429 C ILE A 92 -4.714 8.718 -8.956 1.00 12.00 C ATOM 1430 O ILE A 92 -3.628 8.677 -9.501 1.00 12.00 O ATOM 1431 CB ILE A 92 -5.906 6.619 -8.350 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.679 5.396 -8.897 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -6.591 7.085 -7.066 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -5.921 4.115 -8.540 1.00 12.00 C ATOM 0 H ILE A 92 -4.982 6.580 -10.900 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.790 8.374 -9.349 1.00 12.00 H new ATOM 0 HB ILE A 92 -4.875 6.316 -8.164 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -7.683 5.368 -8.474 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -6.791 5.476 -9.978 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -6.620 6.263 -6.350 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -6.034 7.919 -6.638 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -7.608 7.406 -7.292 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.464 3.252 -8.925 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -4.926 4.145 -8.984 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -5.832 4.035 -7.457 1.00 12.00 H new ATOM 1446 N CYS A 93 -4.968 9.508 -7.931 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.935 10.429 -7.341 1.00 12.00 C ATOM 1448 C CYS A 93 -3.641 9.866 -5.952 1.00 12.00 C ATOM 1449 O CYS A 93 -4.465 9.960 -5.057 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.492 11.857 -7.224 1.00 12.00 C ATOM 1451 SG CYS A 93 -3.298 12.905 -6.350 1.00 12.00 S ATOM 0 H CYS A 93 -5.875 9.552 -7.467 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.040 10.483 -7.961 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.690 12.263 -8.216 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -5.441 11.845 -6.689 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.514 9.205 -5.803 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.189 8.528 -4.512 1.00 12.00 C ATOM 1458 C VAL A 94 -0.863 9.023 -3.921 1.00 12.00 C ATOM 1459 O VAL A 94 -0.258 9.961 -4.413 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.101 7.014 -4.796 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -3.357 6.562 -5.552 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -0.872 6.708 -5.667 1.00 12.00 C ATOM 0 H VAL A 94 -1.803 9.107 -6.528 1.00 12.00 H new ATOM 0 HA VAL A 94 -2.965 8.754 -3.781 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.018 6.485 -3.846 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -3.296 5.492 -5.753 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -4.240 6.767 -4.946 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -3.429 7.105 -6.495 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -0.821 5.637 -5.860 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -0.954 7.244 -6.613 1.00 12.00 H new ATOM 0 HG23 VAL A 94 0.031 7.026 -5.146 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.417 8.358 -2.872 1.00 12.00 N ATOM 1473 CA LYS A 95 0.873 8.720 -2.214 1.00 12.00 C ATOM 1474 C LYS A 95 1.552 7.440 -1.705 1.00 12.00 C ATOM 1475 O LYS A 95 0.883 6.455 -1.412 1.00 12.00 O ATOM 1476 CB LYS A 95 0.617 9.697 -1.058 1.00 12.00 C ATOM 1477 CG LYS A 95 0.609 11.137 -1.595 1.00 12.00 C ATOM 1478 CD LYS A 95 -0.591 11.901 -1.028 1.00 12.00 C ATOM 1479 CE LYS A 95 -0.216 12.526 0.318 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.245 13.927 0.106 1.00 12.00 N ATOM 0 H LYS A 95 -0.905 7.571 -2.444 1.00 12.00 H new ATOM 0 HA LYS A 95 1.530 9.210 -2.932 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.336 9.470 -0.581 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.389 9.586 -0.296 1.00 12.00 H new ATOM 0 HG2 LYS A 95 1.535 11.642 -1.320 1.00 12.00 H new ATOM 0 HG3 LYS A 95 0.563 11.128 -2.684 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.903 12.678 -1.726 1.00 12.00 H new ATOM 0 HD3 LYS A 95 -1.438 11.226 -0.903 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -1.075 12.512 0.989 1.00 12.00 H new ATOM 0 HE3 LYS A 95 0.571 11.942 0.795 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 0.500 14.351 1.021 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 1.076 13.928 -0.519 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 -0.518 14.481 -0.332 1.00 12.00 H new ATOM 1494 N CYS A 96 2.869 7.438 -1.619 1.00 12.00 N ATOM 1495 CA CYS A 96 3.599 6.206 -1.170 1.00 12.00 C ATOM 1496 C CYS A 96 4.442 6.439 0.093 1.00 12.00 C ATOM 1497 O CYS A 96 5.396 7.196 0.094 1.00 12.00 O ATOM 1498 CB CYS A 96 4.537 5.723 -2.286 1.00 12.00 C ATOM 1499 SG CYS A 96 3.782 5.983 -3.914 1.00 12.00 S ATOM 0 H CYS A 96 3.465 8.236 -1.840 1.00 12.00 H new ATOM 0 HA CYS A 96 2.837 5.461 -0.939 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.484 6.259 -2.229 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.760 4.665 -2.148 1.00 12.00 H new ATOM 1504 N GLU A 97 4.123 5.702 1.131 1.00 12.00 N ATOM 1505 CA GLU A 97 4.905 5.726 2.412 1.00 12.00 C ATOM 1506 C GLU A 97 5.231 4.257 2.685 1.00 12.00 C ATOM 1507 O GLU A 97 4.448 3.397 2.324 1.00 12.00 O ATOM 1508 CB GLU A 97 4.076 6.326 3.555 1.00 12.00 C ATOM 1509 CG GLU A 97 4.871 6.278 4.865 1.00 12.00 C ATOM 1510 CD GLU A 97 4.441 7.440 5.761 1.00 12.00 C ATOM 1511 OE1 GLU A 97 3.399 7.325 6.384 1.00 12.00 O ATOM 1512 OE2 GLU A 97 5.162 8.422 5.812 1.00 12.00 O ATOM 0 H GLU A 97 3.327 5.064 1.144 1.00 12.00 H new ATOM 0 HA GLU A 97 5.800 6.344 2.338 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.810 7.357 3.320 1.00 12.00 H new ATOM 0 HB3 GLU A 97 3.143 5.774 3.667 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.699 5.329 5.373 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.939 6.340 4.658 1.00 12.00 H new ATOM 1519 N ASN A 98 6.379 3.932 3.255 1.00 12.00 N ATOM 1520 CA ASN A 98 6.729 2.468 3.445 1.00 12.00 C ATOM 1521 C ASN A 98 6.590 1.757 2.066 1.00 12.00 C ATOM 1522 O ASN A 98 6.267 0.589 1.976 1.00 12.00 O ATOM 1523 CB ASN A 98 5.765 1.847 4.458 1.00 12.00 C ATOM 1524 CG ASN A 98 6.384 1.930 5.855 1.00 12.00 C ATOM 1525 OD1 ASN A 98 6.292 1.000 6.631 1.00 12.00 O ATOM 1526 ND2 ASN A 98 7.014 3.017 6.211 1.00 12.00 N ATOM 0 H ASN A 98 7.076 4.597 3.591 1.00 12.00 H new ATOM 0 HA ASN A 98 7.747 2.358 3.818 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.810 2.372 4.438 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.564 0.808 4.197 1.00 12.00 H new ATOM 0 HD21 ASN A 98 7.429 3.085 7.140 1.00 12.00 H new ATOM 0 HD22 ASN A 98 7.091 3.798 5.560 1.00 12.00 H new ATOM 1533 N GLN A 99 6.803 2.524 1.004 1.00 12.00 N ATOM 1534 CA GLN A 99 6.701 2.075 -0.435 1.00 12.00 C ATOM 1535 C GLN A 99 5.345 1.447 -0.820 1.00 12.00 C ATOM 1536 O GLN A 99 5.165 1.068 -1.968 1.00 12.00 O ATOM 1537 CB GLN A 99 7.875 1.167 -0.851 1.00 12.00 C ATOM 1538 CG GLN A 99 8.008 -0.039 0.077 1.00 12.00 C ATOM 1539 CD GLN A 99 9.057 -1.001 -0.487 1.00 12.00 C ATOM 1540 OE1 GLN A 99 10.161 -1.079 0.017 1.00 12.00 O ATOM 1541 NE2 GLN A 99 8.758 -1.736 -1.522 1.00 12.00 N ATOM 0 H GLN A 99 7.060 3.507 1.090 1.00 12.00 H new ATOM 0 HA GLN A 99 6.767 3.000 -1.008 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.726 0.824 -1.875 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.802 1.741 -0.839 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.297 0.287 1.076 1.00 12.00 H new ATOM 0 HG3 GLN A 99 7.048 -0.546 0.173 1.00 12.00 H new ATOM 0 HE21 GLN A 99 7.832 -1.670 -1.944 1.00 12.00 H new ATOM 0 HE22 GLN A 99 9.450 -2.377 -1.909 1.00 12.00 H new ATOM 1550 N TYR A 100 4.376 1.420 0.068 1.00 12.00 N ATOM 1551 CA TYR A 100 3.011 0.918 -0.293 1.00 12.00 C ATOM 1552 C TYR A 100 2.107 2.167 -0.284 1.00 12.00 C ATOM 1553 O TYR A 100 2.346 3.059 0.514 1.00 12.00 O ATOM 1554 CB TYR A 100 2.544 -0.194 0.713 1.00 12.00 C ATOM 1555 CG TYR A 100 1.409 0.241 1.655 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.118 0.502 1.154 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.650 0.377 3.031 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.913 0.898 2.015 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.615 0.776 3.890 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.661 1.038 3.381 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.672 1.438 4.226 1.00 12.00 O ATOM 0 H TYR A 100 4.475 1.727 1.036 1.00 12.00 H new ATOM 0 HA TYR A 100 2.981 0.437 -1.270 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.216 -1.066 0.146 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.399 -0.507 1.313 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.078 0.396 0.097 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.633 0.174 3.429 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.900 1.095 1.623 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.804 0.881 4.948 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.231 0.667 4.455 1.00 12.00 H new ATOM 1571 N PRO A 101 1.096 2.209 -1.140 1.00 12.00 N ATOM 1572 CA PRO A 101 0.177 3.367 -1.190 1.00 12.00 C ATOM 1573 C PRO A 101 -0.509 3.507 0.161 1.00 12.00 C ATOM 1574 O PRO A 101 -1.545 2.931 0.407 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.787 3.022 -2.325 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.679 1.498 -2.537 1.00 12.00 C ATOM 1577 CD PRO A 101 0.744 1.124 -2.092 1.00 12.00 C ATOM 0 HA PRO A 101 0.659 4.327 -1.378 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.807 3.308 -2.069 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.524 3.561 -3.235 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.427 0.966 -1.950 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.846 1.234 -3.581 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.773 0.144 -1.615 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.434 1.088 -2.935 1.00 12.00 H new ATOM 1585 N VAL A 102 0.112 4.260 1.037 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.409 4.449 2.426 1.00 12.00 C ATOM 1587 C VAL A 102 -1.444 5.571 2.465 1.00 12.00 C ATOM 1588 O VAL A 102 -2.136 5.729 3.461 1.00 12.00 O ATOM 1589 CB VAL A 102 0.797 4.794 3.331 1.00 12.00 C ATOM 1590 CG1 VAL A 102 0.357 5.297 4.716 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.659 3.546 3.518 1.00 12.00 C ATOM 0 H VAL A 102 0.978 4.762 0.841 1.00 12.00 H new ATOM 0 HA VAL A 102 -0.901 3.541 2.774 1.00 12.00 H new ATOM 0 HB VAL A 102 1.358 5.590 2.842 1.00 12.00 H new ATOM 0 HG11 VAL A 102 1.237 5.527 5.316 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.249 6.196 4.601 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.230 4.525 5.214 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.511 3.784 4.155 1.00 12.00 H new ATOM 0 HG22 VAL A 102 1.065 2.760 3.985 1.00 12.00 H new ATOM 0 HG23 VAL A 102 2.017 3.202 2.548 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.526 6.371 1.428 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.483 7.514 1.456 1.00 12.00 C ATOM 1603 C HIS A 103 -3.068 7.753 0.064 1.00 12.00 C ATOM 1604 O HIS A 103 -2.351 8.105 -0.858 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.754 8.800 1.953 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.283 8.525 2.244 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.727 8.017 1.461 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.286 8.731 3.493 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.893 7.911 2.199 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.579 8.347 3.415 1.00 12.00 N flip ATOM 0 H HIS A 103 -0.976 6.281 0.574 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.297 7.274 2.140 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.838 9.583 1.199 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.242 9.172 2.854 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.213 9.125 4.366 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.853 7.551 1.860 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.235 8.387 4.195 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.377 7.606 -0.075 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.026 7.877 -1.400 1.00 12.00 C ATOM 1620 C PHE A 104 -5.662 9.268 -1.297 1.00 12.00 C ATOM 1621 O PHE A 104 -6.461 9.512 -0.407 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.088 6.815 -1.753 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.517 5.830 -2.768 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -4.218 5.326 -2.615 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.299 5.411 -3.856 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -3.706 4.416 -3.545 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -5.785 4.493 -4.780 1.00 12.00 C ATOM 1628 CZ PHE A 104 -4.489 3.998 -4.626 1.00 12.00 C ATOM 0 H PHE A 104 -5.012 7.313 0.668 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.285 7.835 -2.198 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.398 6.285 -0.853 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -6.976 7.297 -2.161 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -3.612 5.641 -1.778 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.300 5.798 -3.981 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -2.702 4.035 -3.428 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -6.392 4.168 -5.612 1.00 12.00 H new ATOM 0 HZ PHE A 104 -4.091 3.293 -5.341 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.267 10.192 -2.152 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.793 11.599 -2.058 1.00 12.00 C ATOM 1640 C ALA A 105 -7.046 11.828 -2.913 1.00 12.00 C ATOM 1641 O ALA A 105 -7.856 12.678 -2.575 1.00 12.00 O ATOM 1642 CB ALA A 105 -4.701 12.580 -2.497 1.00 12.00 C ATOM 0 H ALA A 105 -4.604 10.031 -2.910 1.00 12.00 H new ATOM 0 HA ALA A 105 -6.075 11.766 -1.018 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -5.080 13.600 -2.430 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.832 12.472 -1.848 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.413 12.367 -3.526 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.216 11.111 -4.007 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.428 11.338 -4.869 1.00 12.00 C ATOM 1650 C GLY A 106 -8.478 10.338 -6.022 1.00 12.00 C ATOM 1651 O GLY A 106 -7.737 9.370 -6.050 1.00 12.00 O ATOM 0 H GLY A 106 -6.576 10.388 -4.336 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -9.330 11.246 -4.264 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.412 12.353 -5.265 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.370 10.575 -6.964 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.536 9.659 -8.136 1.00 12.00 C ATOM 1657 C ILE A 107 -8.680 10.139 -9.326 1.00 12.00 C ATOM 1658 O ILE A 107 -9.076 10.019 -10.477 1.00 12.00 O ATOM 1659 CB ILE A 107 -11.020 9.620 -8.530 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -11.871 9.277 -7.302 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.238 8.558 -9.609 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -13.347 9.548 -7.606 1.00 12.00 C ATOM 0 H ILE A 107 -9.998 11.379 -6.965 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.201 8.658 -7.863 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.314 10.596 -8.915 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -11.732 8.230 -7.032 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -11.550 9.873 -6.447 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -12.292 8.532 -9.887 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -10.638 8.801 -10.486 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -10.940 7.582 -9.225 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -13.950 9.303 -6.731 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -13.480 10.601 -7.855 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -13.664 8.933 -8.448 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.501 10.662 -9.049 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.586 11.134 -10.142 1.00 12.00 C ATOM 1676 C GLY A 108 -6.817 12.618 -10.431 1.00 12.00 C ATOM 1677 O GLY A 108 -6.896 13.024 -11.580 1.00 12.00 O ATOM 0 H GLY A 108 -7.134 10.782 -8.105 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.548 10.971 -9.851 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.759 10.550 -11.046 1.00 12.00 H new ATOM 1681 N ARG A 109 -6.909 13.425 -9.397 1.00 12.00 N ATOM 1682 CA ARG A 109 -7.119 14.897 -9.579 1.00 12.00 C ATOM 1683 C ARG A 109 -6.453 15.637 -8.419 1.00 12.00 C ATOM 1684 O ARG A 109 -6.994 15.715 -7.328 1.00 12.00 O ATOM 1685 CB ARG A 109 -8.617 15.206 -9.610 1.00 12.00 C ATOM 1686 CG ARG A 109 -9.094 15.243 -11.065 1.00 12.00 C ATOM 1687 CD ARG A 109 -9.518 13.839 -11.512 1.00 12.00 C ATOM 1688 NE ARG A 109 -10.965 13.849 -11.871 1.00 12.00 N ATOM 1689 CZ ARG A 109 -11.439 12.942 -12.679 1.00 12.00 C ATOM 1690 NH1 ARG A 109 -11.544 11.706 -12.280 1.00 12.00 N ATOM 1691 NH2 ARG A 109 -11.807 13.270 -13.888 1.00 12.00 N ATOM 0 H ARG A 109 -6.847 13.121 -8.425 1.00 12.00 H new ATOM 0 HA ARG A 109 -6.677 15.222 -10.521 1.00 12.00 H new ATOM 0 HB2 ARG A 109 -9.168 14.448 -9.053 1.00 12.00 H new ATOM 0 HB3 ARG A 109 -8.813 16.163 -9.126 1.00 12.00 H new ATOM 0 HG2 ARG A 109 -9.931 15.934 -11.165 1.00 12.00 H new ATOM 0 HG3 ARG A 109 -8.296 15.614 -11.709 1.00 12.00 H new ATOM 0 HD2 ARG A 109 -8.922 13.522 -12.368 1.00 12.00 H new ATOM 0 HD3 ARG A 109 -9.335 13.120 -10.713 1.00 12.00 H new ATOM 0 HE ARG A 109 -11.583 14.563 -11.486 1.00 12.00 H new ATOM 0 HH11 ARG A 109 -11.256 11.449 -11.336 1.00 12.00 H new ATOM 0 HH12 ARG A 109 -11.915 10.996 -12.912 1.00 12.00 H new ATOM 0 HH21 ARG A 109 -11.724 14.237 -14.202 1.00 12.00 H new ATOM 0 HH22 ARG A 109 -12.178 12.559 -14.519 1.00 12.00 H new ATOM 1705 N CYS A 110 -5.268 16.162 -8.657 1.00 12.00 N ATOM 1706 CA CYS A 110 -4.517 16.889 -7.591 1.00 12.00 C ATOM 1707 C CYS A 110 -3.368 17.710 -8.237 1.00 12.00 C ATOM 1708 O CYS A 110 -2.199 17.443 -7.990 1.00 12.00 O ATOM 1709 CB CYS A 110 -3.957 15.855 -6.605 1.00 12.00 C ATOM 1710 SG CYS A 110 -3.113 14.541 -7.523 1.00 12.00 S ATOM 0 H CYS A 110 -4.790 16.114 -9.557 1.00 12.00 H new ATOM 0 HA CYS A 110 -5.173 17.578 -7.059 1.00 12.00 H new ATOM 0 HB2 CYS A 110 -3.263 16.334 -5.914 1.00 12.00 H new ATOM 0 HB3 CYS A 110 -4.764 15.434 -6.006 1.00 12.00 H new ATOM 1715 N PRO A 111 -3.726 18.693 -9.059 1.00 12.00 N ATOM 1716 CA PRO A 111 -2.735 19.549 -9.745 1.00 12.00 C ATOM 1717 C PRO A 111 -2.190 20.609 -8.784 1.00 12.00 C ATOM 1718 O PRO A 111 -1.001 20.873 -8.837 1.00 12.00 O ATOM 1719 CB PRO A 111 -3.534 20.200 -10.876 1.00 12.00 C ATOM 1720 CG PRO A 111 -5.017 20.150 -10.447 1.00 12.00 C ATOM 1721 CD PRO A 111 -5.133 19.045 -9.381 1.00 12.00 C ATOM 1722 OXT PRO A 111 -2.974 21.140 -8.014 1.00 12.00 O ATOM 0 HA PRO A 111 -1.871 18.993 -10.109 1.00 12.00 H new ATOM 0 HB2 PRO A 111 -3.211 21.228 -11.038 1.00 12.00 H new ATOM 0 HB3 PRO A 111 -3.383 19.667 -11.815 1.00 12.00 H new ATOM 0 HG2 PRO A 111 -5.336 21.111 -10.044 1.00 12.00 H new ATOM 0 HG3 PRO A 111 -5.660 19.933 -11.300 1.00 12.00 H new ATOM 0 HD2 PRO A 111 -5.666 19.399 -8.498 1.00 12.00 H new ATOM 0 HD3 PRO A 111 -5.681 18.183 -9.760 1.00 12.00 H new TER 1730 PRO A 111