USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 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 Set 1.1: A 111 TYR OH : rot 41:sc= -0.784 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 159:sc= 0.512 (180deg=0) USER MOD Set 2.1: A 85 SER OG : rot -112:sc= 0.932 USER MOD Set 2.2: A 88 ASN : amide:sc= -1.11 K(o=-0.17,f=-2.2!) USER MOD Set 3.1: A 78 SER OG : rot 26:sc= 0.973 USER MOD Set 3.2: A 79 ASN :FLIP amide:sc= 0.978 F(o=0.037,f=2) USER MOD Set 4.1: A 48 HIS : no HD1:sc= -6.02! C(o=-5.6!,f=-5.5!) USER MOD Set 4.2: A 52 TYR OH : rot 69:sc= 0.393 USER MOD Set 5.1: A 28 TYR OH : rot 164:sc= -0.97 USER MOD Set 5.2: A 46 GLN : amide:sc= -7.67! C(o=-8.6!,f=-11!) USER MOD Set 6.1: A 25 TYR OH : rot -100:sc= -0.937 USER MOD Set 6.2: A 115 HIS :FLIP no HD1:sc= -1.89 F(o=-5.2!,f=-2.8) USER MOD Set 7.1: A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.012) USER MOD Set 7.2: A 107 SER OG : rot -66:sc= 0.0655 USER MOD Set 8.1: A 8 MET CE :methyl -167:sc= -1.03 (180deg=-1.45) USER MOD Set 8.2: A 73 TYR OH : rot 142:sc= 0.61 USER MOD Single : A 1 ALA N :NH3+ -129:sc= 0.0686 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 1.14 K(o=1.1,f=0.034) USER MOD Single : A 6 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -25:sc= 0.335 USER MOD Single : A 23 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.039) USER MOD Single : A 24 ASN : amide:sc= 0.576 K(o=0.58,f=-0.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.375 USER MOD Single : A 50 ASN : amide:sc= 0.453 K(o=0.45,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 62:sc= 0.00415 USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0.0721 (180deg=0.0587) USER MOD Single : A 67 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.8!) USER MOD Single : A 69 TYR OH : rot 150:sc= 0 USER MOD Single : A 70 THR OG1 : rot -35:sc= 1.11 USER MOD Single : A 71 ASN : amide:sc= -3.36! C(o=-3.4!,f=-4.7!) USER MOD Single : A 72 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.45) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -4.97! C(o=-5!,f=-17!) USER MOD Single : A 97 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.2!) USER MOD Single : A 101 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.3!) USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= 0 (180deg=-1.04!) USER MOD Single : A 112 ASN :FLIP amide:sc= -1.53 F(o=-3.8!,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 87.932 -7.617 -4.695 1.00 0.00 N ATOM 2 CA ALA A 1 86.446 -7.606 -4.815 1.00 0.00 C ATOM 3 C ALA A 1 85.904 -6.201 -4.542 1.00 0.00 C ATOM 4 O ALA A 1 86.600 -5.217 -4.695 1.00 0.00 O ATOM 5 CB ALA A 1 85.955 -8.587 -3.751 1.00 0.00 C ATOM 0 H1 ALA A 1 88.346 -8.054 -5.543 1.00 0.00 H new ATOM 0 H2 ALA A 1 88.280 -6.641 -4.603 1.00 0.00 H new ATOM 0 H3 ALA A 1 88.208 -8.164 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 1 86.110 -7.887 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 1 84.866 -8.635 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 1 86.367 -9.576 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 1 86.281 -8.250 -2.767 1.00 0.00 H new ATOM 13 N LEU A 2 84.667 -6.099 -4.139 1.00 0.00 N ATOM 14 CA LEU A 2 84.082 -4.756 -3.857 1.00 0.00 C ATOM 15 C LEU A 2 83.577 -4.692 -2.414 1.00 0.00 C ATOM 16 O LEU A 2 83.567 -3.646 -1.795 1.00 0.00 O ATOM 17 CB LEU A 2 82.919 -4.617 -4.838 1.00 0.00 C ATOM 18 CG LEU A 2 82.725 -3.142 -5.198 1.00 0.00 C ATOM 19 CD1 LEU A 2 81.903 -3.035 -6.484 1.00 0.00 C ATOM 20 CD2 LEU A 2 81.985 -2.434 -4.061 1.00 0.00 C ATOM 0 H LEU A 2 84.036 -6.887 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 2 84.812 -3.955 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.118 -5.198 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 2 82.007 -5.017 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 2 83.698 -2.673 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 2 81.764 -1.985 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 2 82.428 -3.541 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 2 80.930 -3.503 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 2 81.846 -1.383 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 2 81.012 -2.903 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 2 82.569 -2.511 -3.144 1.00 0.00 H new ATOM 32 N TRP A 3 83.157 -5.802 -1.873 1.00 0.00 N ATOM 33 CA TRP A 3 82.652 -5.804 -0.469 1.00 0.00 C ATOM 34 C TRP A 3 83.700 -6.412 0.466 1.00 0.00 C ATOM 35 O TRP A 3 83.656 -6.229 1.666 1.00 0.00 O ATOM 36 CB TRP A 3 81.395 -6.672 -0.502 1.00 0.00 C ATOM 37 CG TRP A 3 81.775 -8.083 -0.816 1.00 0.00 C ATOM 38 CD1 TRP A 3 81.753 -8.638 -2.049 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.236 -9.124 0.093 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.170 -9.954 -1.955 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.479 -10.300 -0.655 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.463 -9.163 1.480 1.00 0.00 C ATOM 43 CZ2 TRP A 3 82.933 -11.471 -0.050 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.922 -10.340 2.093 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.155 -11.492 1.329 1.00 0.00 C ATOM 0 H TRP A 3 83.141 -6.708 -2.341 1.00 0.00 H new ATOM 0 HA TRP A 3 82.443 -4.799 -0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 3 80.883 -6.627 0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 3 80.699 -6.296 -1.252 1.00 0.00 H new ATOM 0 HD1 TRP A 3 81.458 -8.136 -2.959 1.00 0.00 H new ATOM 0 HE1 TRP A 3 82.240 -10.590 -2.749 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.283 -8.282 2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.112 -12.356 -0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 83.096 -10.358 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.506 -12.395 1.806 1.00 0.00 H new ATOM 56 N GLN A 4 84.643 -7.134 -0.074 1.00 0.00 N ATOM 57 CA GLN A 4 85.693 -7.753 0.784 1.00 0.00 C ATOM 58 C GLN A 4 86.593 -6.671 1.384 1.00 0.00 C ATOM 59 O GLN A 4 86.873 -6.666 2.566 1.00 0.00 O ATOM 60 CB GLN A 4 86.493 -8.652 -0.158 1.00 0.00 C ATOM 61 CG GLN A 4 85.687 -9.914 -0.468 1.00 0.00 C ATOM 62 CD GLN A 4 86.629 -11.118 -0.529 1.00 0.00 C ATOM 63 OE1 GLN A 4 86.477 -12.062 0.222 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.603 -11.125 -1.396 1.00 0.00 N ATOM 0 H GLN A 4 84.732 -7.322 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 4 85.268 -8.310 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 4 86.721 -8.118 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.445 -8.920 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 4 84.928 -10.071 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.163 -9.800 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 4 87.731 -10.333 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 4 88.237 -11.922 -1.444 1.00 0.00 H new ATOM 73 N PHE A 5 87.049 -5.753 0.576 1.00 0.00 N ATOM 74 CA PHE A 5 87.932 -4.670 1.099 1.00 0.00 C ATOM 75 C PHE A 5 87.244 -3.943 2.258 1.00 0.00 C ATOM 76 O PHE A 5 87.790 -3.817 3.337 1.00 0.00 O ATOM 77 CB PHE A 5 88.135 -3.728 -0.087 1.00 0.00 C ATOM 78 CG PHE A 5 88.903 -2.507 0.360 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.960 -2.636 1.268 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.558 -1.245 -0.139 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.672 -1.502 1.679 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.269 -0.112 0.271 1.00 0.00 C ATOM 83 CZ PHE A 5 90.326 -0.240 1.181 1.00 0.00 C ATOM 0 H PHE A 5 86.849 -5.705 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 5 88.878 -5.051 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.677 -4.240 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.170 -3.432 -0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.227 -3.610 1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.743 -1.146 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.488 -1.601 2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.003 0.861 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.874 0.635 1.499 1.00 0.00 H new ATOM 93 N ASN A 6 86.049 -3.465 2.045 1.00 0.00 N ATOM 94 CA ASN A 6 85.325 -2.750 3.135 1.00 0.00 C ATOM 95 C ASN A 6 85.253 -3.629 4.387 1.00 0.00 C ATOM 96 O ASN A 6 85.267 -3.145 5.501 1.00 0.00 O ATOM 97 CB ASN A 6 83.925 -2.493 2.576 1.00 0.00 C ATOM 98 CG ASN A 6 83.830 -1.052 2.069 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.627 -0.213 2.437 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.880 -0.729 1.235 1.00 0.00 N ATOM 0 H ASN A 6 85.542 -3.538 1.163 1.00 0.00 H new ATOM 0 HA ASN A 6 85.823 -1.825 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.713 -3.189 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.176 -2.667 3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.807 0.229 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 6 82.211 -1.434 0.926 1.00 0.00 H new ATOM 107 N GLY A 7 85.176 -4.922 4.211 1.00 0.00 N ATOM 108 CA GLY A 7 85.103 -5.831 5.390 1.00 0.00 C ATOM 109 C GLY A 7 86.399 -5.728 6.195 1.00 0.00 C ATOM 110 O GLY A 7 86.394 -5.778 7.409 1.00 0.00 O ATOM 0 H GLY A 7 85.161 -5.386 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.252 -5.564 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 84.947 -6.859 5.061 1.00 0.00 H new ATOM 114 N MET A 8 87.513 -5.581 5.528 1.00 0.00 N ATOM 115 CA MET A 8 88.807 -5.471 6.258 1.00 0.00 C ATOM 116 C MET A 8 88.800 -4.228 7.150 1.00 0.00 C ATOM 117 O MET A 8 89.271 -4.252 8.271 1.00 0.00 O ATOM 118 CB MET A 8 89.869 -5.336 5.165 1.00 0.00 C ATOM 119 CG MET A 8 90.200 -6.719 4.599 1.00 0.00 C ATOM 120 SD MET A 8 91.585 -6.583 3.441 1.00 0.00 S ATOM 121 CE MET A 8 91.869 -8.357 3.224 1.00 0.00 C ATOM 0 H MET A 8 87.582 -5.533 4.511 1.00 0.00 H new ATOM 0 HA MET A 8 88.993 -6.330 6.903 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.507 -4.684 4.370 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.768 -4.874 5.572 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.455 -7.403 5.408 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.329 -7.134 4.093 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.827 -8.514 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.881 -8.845 4.198 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.071 -8.781 2.615 1.00 0.00 H new ATOM 131 N ILE A 9 88.270 -3.141 6.660 1.00 0.00 N ATOM 132 CA ILE A 9 88.231 -1.892 7.476 1.00 0.00 C ATOM 133 C ILE A 9 87.295 -2.068 8.675 1.00 0.00 C ATOM 134 O ILE A 9 87.421 -1.392 9.677 1.00 0.00 O ATOM 135 CB ILE A 9 87.686 -0.821 6.530 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.565 -0.748 5.280 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.694 0.536 7.236 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.032 0.341 4.346 1.00 0.00 C ATOM 0 H ILE A 9 87.861 -3.063 5.729 1.00 0.00 H new ATOM 0 HA ILE A 9 89.211 -1.630 7.874 1.00 0.00 H new ATOM 0 HB ILE A 9 86.666 -1.077 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.596 -0.530 5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.570 -1.711 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.306 1.299 6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.068 0.486 8.127 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.714 0.791 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.657 0.394 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.008 0.103 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.050 1.302 4.860 1.00 0.00 H new ATOM 150 N LYS A 10 86.352 -2.964 8.579 1.00 0.00 N ATOM 151 CA LYS A 10 85.404 -3.173 9.711 1.00 0.00 C ATOM 152 C LYS A 10 86.047 -4.028 10.806 1.00 0.00 C ATOM 153 O LYS A 10 85.857 -3.787 11.981 1.00 0.00 O ATOM 154 CB LYS A 10 84.208 -3.896 9.092 1.00 0.00 C ATOM 155 CG LYS A 10 83.331 -2.880 8.358 1.00 0.00 C ATOM 156 CD LYS A 10 82.339 -3.616 7.455 1.00 0.00 C ATOM 157 CE LYS A 10 80.963 -2.957 7.568 1.00 0.00 C ATOM 158 NZ LYS A 10 80.116 -3.956 8.276 1.00 0.00 N ATOM 0 H LYS A 10 86.196 -3.561 7.766 1.00 0.00 H new ATOM 0 HA LYS A 10 85.116 -2.234 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.551 -4.665 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 10 83.631 -4.399 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 10 82.794 -2.261 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.952 -2.211 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.683 -3.590 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.277 -4.665 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.018 -2.021 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 10 80.556 -2.720 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.155 -3.576 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.077 -4.834 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.524 -4.156 9.211 1.00 0.00 H new ATOM 172 N CYS A 11 86.803 -5.026 10.438 1.00 0.00 N ATOM 173 CA CYS A 11 87.446 -5.885 11.463 1.00 0.00 C ATOM 174 C CYS A 11 88.403 -5.053 12.320 1.00 0.00 C ATOM 175 O CYS A 11 88.454 -5.190 13.525 1.00 0.00 O ATOM 176 CB CYS A 11 88.213 -6.946 10.675 1.00 0.00 C ATOM 177 SG CYS A 11 88.535 -8.371 11.744 1.00 0.00 S ATOM 0 H CYS A 11 87.001 -5.281 9.470 1.00 0.00 H new ATOM 0 HA CYS A 11 86.719 -6.333 12.140 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.637 -7.254 9.803 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.152 -6.534 10.307 1.00 0.00 H new ATOM 182 N LYS A 12 89.160 -4.190 11.703 1.00 0.00 N ATOM 183 CA LYS A 12 90.114 -3.345 12.477 1.00 0.00 C ATOM 184 C LYS A 12 89.357 -2.223 13.194 1.00 0.00 C ATOM 185 O LYS A 12 89.554 -1.980 14.368 1.00 0.00 O ATOM 186 CB LYS A 12 91.070 -2.766 11.433 1.00 0.00 C ATOM 187 CG LYS A 12 91.637 -3.902 10.579 1.00 0.00 C ATOM 188 CD LYS A 12 93.159 -3.775 10.502 1.00 0.00 C ATOM 189 CE LYS A 12 93.750 -3.829 11.913 1.00 0.00 C ATOM 190 NZ LYS A 12 94.570 -2.592 12.032 1.00 0.00 N ATOM 0 H LYS A 12 89.160 -4.032 10.695 1.00 0.00 H new ATOM 0 HA LYS A 12 90.645 -3.912 13.242 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.546 -2.048 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.880 -2.227 11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 12 91.364 -4.865 11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 91.208 -3.867 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 12 93.571 -4.580 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.432 -2.837 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 12 92.965 -3.857 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.359 -4.722 12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 94.912 -2.495 13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.382 -2.650 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 93.989 -1.765 11.785 1.00 0.00 H new ATOM 204 N ILE A 13 88.489 -1.542 12.498 1.00 0.00 N ATOM 205 CA ILE A 13 87.716 -0.441 13.139 1.00 0.00 C ATOM 206 C ILE A 13 86.223 -0.782 13.144 1.00 0.00 C ATOM 207 O ILE A 13 85.469 -0.282 12.332 1.00 0.00 O ATOM 208 CB ILE A 13 87.981 0.791 12.275 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.490 0.991 12.113 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.375 2.026 12.946 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.759 1.881 10.897 1.00 0.00 C ATOM 0 H ILE A 13 88.281 -1.701 11.512 1.00 0.00 H new ATOM 0 HA ILE A 13 88.011 -0.279 14.176 1.00 0.00 H new ATOM 0 HB ILE A 13 87.526 0.648 11.295 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.905 1.448 13.011 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.984 0.027 11.988 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.564 2.905 12.329 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.300 1.887 13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.829 2.167 13.927 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.833 2.024 10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.358 1.405 10.002 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.278 2.848 11.041 1.00 0.00 H new ATOM 223 N PRO A 14 85.849 -1.627 14.065 1.00 0.00 N ATOM 224 CA PRO A 14 84.434 -2.046 14.185 1.00 0.00 C ATOM 225 C PRO A 14 83.603 -0.931 14.826 1.00 0.00 C ATOM 226 O PRO A 14 82.394 -0.893 14.702 1.00 0.00 O ATOM 227 CB PRO A 14 84.500 -3.269 15.097 1.00 0.00 C ATOM 228 CG PRO A 14 85.755 -3.096 15.894 1.00 0.00 C ATOM 229 CD PRO A 14 86.705 -2.264 15.069 1.00 0.00 C ATOM 0 HA PRO A 14 83.965 -2.262 13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.626 -3.324 15.746 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.526 -4.192 14.517 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.541 -2.606 16.844 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.197 -4.064 16.128 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.219 -1.523 15.681 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.473 -2.881 14.603 1.00 0.00 H new ATOM 237 N SER A 15 84.244 -0.020 15.506 1.00 0.00 N ATOM 238 CA SER A 15 83.496 1.097 16.151 1.00 0.00 C ATOM 239 C SER A 15 83.068 2.120 15.096 1.00 0.00 C ATOM 240 O SER A 15 82.223 2.959 15.337 1.00 0.00 O ATOM 241 CB SER A 15 84.488 1.721 17.130 1.00 0.00 C ATOM 242 OG SER A 15 85.463 2.458 16.404 1.00 0.00 O ATOM 0 H SER A 15 85.255 -0.001 15.643 1.00 0.00 H new ATOM 0 HA SER A 15 82.589 0.756 16.651 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.965 2.376 17.828 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.970 0.943 17.723 1.00 0.00 H new ATOM 0 HG SER A 15 86.101 2.861 17.029 1.00 0.00 H new ATOM 248 N SER A 16 83.647 2.056 13.928 1.00 0.00 N ATOM 249 CA SER A 16 83.278 3.023 12.855 1.00 0.00 C ATOM 250 C SER A 16 83.043 2.282 11.536 1.00 0.00 C ATOM 251 O SER A 16 83.917 1.607 11.029 1.00 0.00 O ATOM 252 CB SER A 16 84.477 3.960 12.738 1.00 0.00 C ATOM 253 OG SER A 16 84.016 5.287 12.513 1.00 0.00 O ATOM 0 H SER A 16 84.361 1.375 13.670 1.00 0.00 H new ATOM 0 HA SER A 16 82.360 3.564 13.083 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.075 3.920 13.649 1.00 0.00 H new ATOM 0 HB3 SER A 16 85.122 3.643 11.919 1.00 0.00 H new ATOM 0 HG SER A 16 83.127 5.259 12.102 1.00 0.00 H new ATOM 259 N GLU A 17 81.870 2.400 10.977 1.00 0.00 N ATOM 260 CA GLU A 17 81.582 1.698 9.692 1.00 0.00 C ATOM 261 C GLU A 17 82.283 2.407 8.529 1.00 0.00 C ATOM 262 O GLU A 17 82.421 3.613 8.528 1.00 0.00 O ATOM 263 CB GLU A 17 80.064 1.774 9.533 1.00 0.00 C ATOM 264 CG GLU A 17 79.391 1.123 10.742 1.00 0.00 C ATOM 265 CD GLU A 17 79.329 -0.393 10.538 1.00 0.00 C ATOM 266 OE1 GLU A 17 80.371 -1.022 10.609 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.240 -0.897 10.316 1.00 0.00 O ATOM 0 H GLU A 17 81.099 2.951 11.353 1.00 0.00 H new ATOM 0 HA GLU A 17 81.941 0.669 9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.749 2.814 9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.758 1.268 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 17 79.947 1.356 11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.386 1.524 10.872 1.00 0.00 H new ATOM 274 N PRO A 18 82.703 1.623 7.573 1.00 0.00 N ATOM 275 CA PRO A 18 83.398 2.174 6.385 1.00 0.00 C ATOM 276 C PRO A 18 82.400 2.866 5.452 1.00 0.00 C ATOM 277 O PRO A 18 82.716 3.847 4.808 1.00 0.00 O ATOM 278 CB PRO A 18 84.002 0.941 5.721 1.00 0.00 C ATOM 279 CG PRO A 18 83.147 -0.203 6.167 1.00 0.00 C ATOM 280 CD PRO A 18 82.571 0.164 7.512 1.00 0.00 C ATOM 0 HA PRO A 18 84.146 2.926 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.997 1.036 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.039 0.799 6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.351 -0.391 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.736 -1.118 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.529 -0.146 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.115 -0.319 8.324 1.00 0.00 H new ATOM 288 N LEU A 19 81.197 2.366 5.374 1.00 0.00 N ATOM 289 CA LEU A 19 80.183 2.999 4.483 1.00 0.00 C ATOM 290 C LEU A 19 79.552 4.212 5.174 1.00 0.00 C ATOM 291 O LEU A 19 78.817 4.969 4.572 1.00 0.00 O ATOM 292 CB LEU A 19 79.135 1.912 4.237 1.00 0.00 C ATOM 293 CG LEU A 19 79.520 1.108 2.995 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.650 -0.147 2.908 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.302 1.965 1.746 1.00 0.00 C ATOM 0 H LEU A 19 80.872 1.547 5.888 1.00 0.00 H new ATOM 0 HA LEU A 19 80.620 3.359 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.067 1.254 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.152 2.363 4.102 1.00 0.00 H new ATOM 0 HG LEU A 19 80.569 0.819 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.925 -0.720 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.803 -0.758 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.601 0.141 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.576 1.393 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.253 2.254 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.921 2.860 1.806 1.00 0.00 H new ATOM 307 N LEU A 20 79.836 4.403 6.434 1.00 0.00 N ATOM 308 CA LEU A 20 79.254 5.568 7.160 1.00 0.00 C ATOM 309 C LEU A 20 80.357 6.346 7.881 1.00 0.00 C ATOM 310 O LEU A 20 80.151 6.889 8.948 1.00 0.00 O ATOM 311 CB LEU A 20 78.279 4.963 8.171 1.00 0.00 C ATOM 312 CG LEU A 20 77.349 3.979 7.461 1.00 0.00 C ATOM 313 CD1 LEU A 20 76.511 3.229 8.498 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.420 4.747 6.518 1.00 0.00 C ATOM 0 H LEU A 20 80.445 3.804 6.991 1.00 0.00 H new ATOM 0 HA LEU A 20 78.759 6.267 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.829 4.453 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.696 5.752 8.646 1.00 0.00 H new ATOM 0 HG LEU A 20 77.943 3.267 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 75.848 2.528 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.170 2.683 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 20 75.917 3.942 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.756 4.047 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.827 5.459 7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.015 5.283 5.779 1.00 0.00 H new ATOM 326 N ASP A 21 81.530 6.404 7.310 1.00 0.00 N ATOM 327 CA ASP A 21 82.641 7.146 7.973 1.00 0.00 C ATOM 328 C ASP A 21 83.846 7.256 7.035 1.00 0.00 C ATOM 329 O ASP A 21 84.567 8.234 7.050 1.00 0.00 O ATOM 330 CB ASP A 21 82.993 6.310 9.204 1.00 0.00 C ATOM 331 CG ASP A 21 83.029 7.208 10.441 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.771 8.176 10.425 1.00 0.00 O ATOM 333 OD2 ASP A 21 82.314 6.913 11.384 1.00 0.00 O ATOM 0 H ASP A 21 81.767 5.972 6.417 1.00 0.00 H new ATOM 0 HA ASP A 21 82.356 8.164 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.258 5.517 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.960 5.828 9.064 1.00 0.00 H new ATOM 338 N PHE A 22 84.076 6.260 6.221 1.00 0.00 N ATOM 339 CA PHE A 22 85.239 6.314 5.291 1.00 0.00 C ATOM 340 C PHE A 22 84.762 6.244 3.837 1.00 0.00 C ATOM 341 O PHE A 22 85.165 5.379 3.083 1.00 0.00 O ATOM 342 CB PHE A 22 86.084 5.089 5.643 1.00 0.00 C ATOM 343 CG PHE A 22 86.613 5.229 7.052 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.658 6.121 7.324 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.057 4.465 8.085 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.146 6.247 8.631 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.546 4.592 9.390 1.00 0.00 C ATOM 348 CZ PHE A 22 87.589 5.483 9.664 1.00 0.00 C ATOM 0 H PHE A 22 83.510 5.414 6.161 1.00 0.00 H new ATOM 0 HA PHE A 22 85.805 7.240 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.484 4.183 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.912 4.991 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.087 6.711 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.251 3.778 7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 22 88.952 6.934 8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.118 4.002 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 22 87.965 5.582 10.672 1.00 0.00 H new ATOM 358 N ASN A 23 83.911 7.149 3.437 1.00 0.00 N ATOM 359 CA ASN A 23 83.412 7.135 2.031 1.00 0.00 C ATOM 360 C ASN A 23 83.212 8.568 1.529 1.00 0.00 C ATOM 361 O ASN A 23 82.956 9.474 2.296 1.00 0.00 O ATOM 362 CB ASN A 23 82.077 6.394 2.090 1.00 0.00 C ATOM 363 CG ASN A 23 81.464 6.334 0.691 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.888 5.553 -0.138 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.476 7.133 0.390 1.00 0.00 N ATOM 0 H ASN A 23 83.539 7.897 4.022 1.00 0.00 H new ATOM 0 HA ASN A 23 84.112 6.654 1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 23 82.226 5.386 2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.397 6.901 2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 23 80.060 7.102 -0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 23 80.120 7.788 1.086 1.00 0.00 H new ATOM 372 N ASN A 24 83.327 8.781 0.246 1.00 0.00 N ATOM 373 CA ASN A 24 83.144 10.157 -0.301 1.00 0.00 C ATOM 374 C ASN A 24 83.893 11.173 0.566 1.00 0.00 C ATOM 375 O ASN A 24 83.313 12.107 1.085 1.00 0.00 O ATOM 376 CB ASN A 24 81.637 10.410 -0.241 1.00 0.00 C ATOM 377 CG ASN A 24 81.275 11.558 -1.184 1.00 0.00 C ATOM 378 OD1 ASN A 24 80.482 11.390 -2.088 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.827 12.728 -1.008 1.00 0.00 N ATOM 0 H ASN A 24 83.539 8.063 -0.447 1.00 0.00 H new ATOM 0 HA ASN A 24 83.534 10.254 -1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.094 9.508 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.339 10.655 0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.592 13.501 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 24 82.493 12.869 -0.248 1.00 0.00 H new ATOM 386 N TYR A 25 85.176 10.998 0.728 1.00 0.00 N ATOM 387 CA TYR A 25 85.962 11.951 1.562 1.00 0.00 C ATOM 388 C TYR A 25 87.323 12.211 0.909 1.00 0.00 C ATOM 389 O TYR A 25 87.785 11.440 0.093 1.00 0.00 O ATOM 390 CB TYR A 25 86.131 11.240 2.907 1.00 0.00 C ATOM 391 CG TYR A 25 87.110 12.000 3.770 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.481 11.946 3.490 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.647 12.754 4.854 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.388 12.649 4.292 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.554 13.456 5.656 1.00 0.00 C ATOM 396 CZ TYR A 25 88.924 13.404 5.375 1.00 0.00 C ATOM 397 OH TYR A 25 89.818 14.097 6.166 1.00 0.00 O ATOM 0 H TYR A 25 85.715 10.235 0.318 1.00 0.00 H new ATOM 0 HA TYR A 25 85.473 12.919 1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.168 11.166 3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.487 10.222 2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.839 11.362 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.590 12.794 5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.445 12.609 4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.196 14.038 6.492 1.00 0.00 H new ATOM 0 HH TYR A 25 89.991 13.589 6.986 1.00 0.00 H new ATOM 407 N GLY A 26 87.969 13.290 1.254 1.00 0.00 N ATOM 408 CA GLY A 26 89.298 13.578 0.643 1.00 0.00 C ATOM 409 C GLY A 26 89.215 13.384 -0.869 1.00 0.00 C ATOM 410 O GLY A 26 88.143 13.287 -1.436 1.00 0.00 O ATOM 0 H GLY A 26 87.638 13.981 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.603 14.599 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.055 12.917 1.064 1.00 0.00 H new ATOM 414 N CYS A 27 90.336 13.334 -1.531 1.00 0.00 N ATOM 415 CA CYS A 27 90.318 13.155 -3.012 1.00 0.00 C ATOM 416 C CYS A 27 90.573 11.692 -3.390 1.00 0.00 C ATOM 417 O CYS A 27 90.341 11.287 -4.513 1.00 0.00 O ATOM 418 CB CYS A 27 91.449 14.042 -3.532 1.00 0.00 C ATOM 419 SG CYS A 27 90.840 15.045 -4.908 1.00 0.00 S ATOM 0 H CYS A 27 91.263 13.409 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 27 89.352 13.423 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.818 14.686 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.288 13.427 -3.859 1.00 0.00 H new ATOM 424 N TYR A 28 91.054 10.895 -2.475 1.00 0.00 N ATOM 425 CA TYR A 28 91.326 9.467 -2.810 1.00 0.00 C ATOM 426 C TYR A 28 90.282 8.548 -2.164 1.00 0.00 C ATOM 427 O TYR A 28 89.857 7.573 -2.753 1.00 0.00 O ATOM 428 CB TYR A 28 92.717 9.189 -2.241 1.00 0.00 C ATOM 429 CG TYR A 28 93.735 10.015 -2.989 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.138 9.633 -4.274 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.275 11.164 -2.398 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.082 10.399 -4.969 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.219 11.930 -3.093 1.00 0.00 C ATOM 434 CZ TYR A 28 95.623 11.547 -4.378 1.00 0.00 C ATOM 435 OH TYR A 28 96.553 12.301 -5.065 1.00 0.00 O ATOM 0 H TYR A 28 91.269 11.168 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 28 91.276 9.281 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.744 9.432 -1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.954 8.129 -2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.721 8.747 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.964 11.459 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.393 10.104 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.636 12.816 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 28 96.638 13.181 -4.642 1.00 0.00 H new ATOM 445 N CYS A 29 89.865 8.844 -0.963 1.00 0.00 N ATOM 446 CA CYS A 29 88.852 7.974 -0.298 1.00 0.00 C ATOM 447 C CYS A 29 87.555 7.953 -1.110 1.00 0.00 C ATOM 448 O CYS A 29 87.379 8.720 -2.036 1.00 0.00 O ATOM 449 CB CYS A 29 88.614 8.604 1.073 1.00 0.00 C ATOM 450 SG CYS A 29 90.186 8.724 1.959 1.00 0.00 S ATOM 0 H CYS A 29 90.179 9.645 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 29 89.193 6.942 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.172 9.594 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 29 87.907 8.003 1.644 1.00 0.00 H new ATOM 455 N GLY A 30 86.645 7.080 -0.774 1.00 0.00 N ATOM 456 CA GLY A 30 85.364 7.011 -1.530 1.00 0.00 C ATOM 457 C GLY A 30 85.603 6.310 -2.869 1.00 0.00 C ATOM 458 O GLY A 30 86.651 5.741 -3.102 1.00 0.00 O ATOM 0 H GLY A 30 86.734 6.412 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 30 84.616 6.469 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 30 84.973 8.015 -1.697 1.00 0.00 H new ATOM 462 N LEU A 31 84.643 6.347 -3.751 1.00 0.00 N ATOM 463 CA LEU A 31 84.825 5.682 -5.072 1.00 0.00 C ATOM 464 C LEU A 31 85.033 6.732 -6.167 1.00 0.00 C ATOM 465 O LEU A 31 84.491 6.631 -7.250 1.00 0.00 O ATOM 466 CB LEU A 31 83.528 4.905 -5.311 1.00 0.00 C ATOM 467 CG LEU A 31 83.862 3.487 -5.775 1.00 0.00 C ATOM 468 CD1 LEU A 31 84.543 2.724 -4.637 1.00 0.00 C ATOM 469 CD2 LEU A 31 82.572 2.764 -6.171 1.00 0.00 C ATOM 0 H LEU A 31 83.743 6.807 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 31 85.697 5.029 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 31 82.938 4.870 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 31 82.921 5.411 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 31 84.532 3.534 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 31 84.781 1.713 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 31 85.461 3.238 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 31 83.873 2.676 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 31 82.809 1.753 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 31 81.903 2.717 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 31 82.085 3.306 -6.981 1.00 0.00 H new ATOM 481 N GLY A 32 85.815 7.742 -5.893 1.00 0.00 N ATOM 482 CA GLY A 32 86.054 8.796 -6.920 1.00 0.00 C ATOM 483 C GLY A 32 86.981 9.873 -6.351 1.00 0.00 C ATOM 484 O GLY A 32 87.267 9.901 -5.170 1.00 0.00 O ATOM 0 H GLY A 32 86.297 7.882 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 32 86.499 8.354 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 32 85.107 9.242 -7.224 1.00 0.00 H new ATOM 488 N GLY A 33 87.451 10.759 -7.185 1.00 0.00 N ATOM 489 CA GLY A 33 88.359 11.836 -6.697 1.00 0.00 C ATOM 490 C GLY A 33 89.700 11.740 -7.427 1.00 0.00 C ATOM 491 O GLY A 33 90.007 10.745 -8.051 1.00 0.00 O ATOM 0 H GLY A 33 87.246 10.784 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 33 87.908 12.813 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 33 88.510 11.740 -5.622 1.00 0.00 H new ATOM 495 N SER A 34 90.503 12.767 -7.355 1.00 0.00 N ATOM 496 CA SER A 34 91.823 12.730 -8.048 1.00 0.00 C ATOM 497 C SER A 34 92.604 14.016 -7.761 1.00 0.00 C ATOM 498 O SER A 34 92.256 15.082 -8.226 1.00 0.00 O ATOM 499 CB SER A 34 91.490 12.623 -9.535 1.00 0.00 C ATOM 500 OG SER A 34 92.688 12.403 -10.269 1.00 0.00 O ATOM 0 H SER A 34 90.303 13.629 -6.847 1.00 0.00 H new ATOM 0 HA SER A 34 92.443 11.899 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 34 90.790 11.805 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.002 13.536 -9.877 1.00 0.00 H new ATOM 0 HG SER A 34 92.478 12.332 -11.224 1.00 0.00 H new ATOM 506 N GLY A 35 93.657 13.921 -6.996 1.00 0.00 N ATOM 507 CA GLY A 35 94.460 15.134 -6.678 1.00 0.00 C ATOM 508 C GLY A 35 95.073 14.990 -5.285 1.00 0.00 C ATOM 509 O GLY A 35 94.788 14.052 -4.566 1.00 0.00 O ATOM 0 H GLY A 35 93.996 13.055 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.246 15.267 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.829 16.022 -6.719 1.00 0.00 H new ATOM 513 N THR A 36 95.911 15.910 -4.897 1.00 0.00 N ATOM 514 CA THR A 36 96.543 15.826 -3.549 1.00 0.00 C ATOM 515 C THR A 36 95.478 15.557 -2.481 1.00 0.00 C ATOM 516 O THR A 36 94.366 16.036 -2.580 1.00 0.00 O ATOM 517 CB THR A 36 97.185 17.195 -3.329 1.00 0.00 C ATOM 518 OG1 THR A 36 98.016 17.510 -4.438 1.00 0.00 O ATOM 519 CG2 THR A 36 98.024 17.168 -2.051 1.00 0.00 C ATOM 0 H THR A 36 96.187 16.718 -5.455 1.00 0.00 H new ATOM 0 HA THR A 36 97.271 15.017 -3.483 1.00 0.00 H new ATOM 0 HB THR A 36 96.406 17.951 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.427 18.389 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.481 18.145 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.385 16.927 -1.201 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.804 16.413 -2.144 1.00 0.00 H new ATOM 527 N PRO A 37 95.862 14.799 -1.490 1.00 0.00 N ATOM 528 CA PRO A 37 94.932 14.463 -0.385 1.00 0.00 C ATOM 529 C PRO A 37 94.699 15.689 0.504 1.00 0.00 C ATOM 530 O PRO A 37 95.196 16.765 0.233 1.00 0.00 O ATOM 531 CB PRO A 37 95.662 13.361 0.377 1.00 0.00 C ATOM 532 CG PRO A 37 97.111 13.570 0.067 1.00 0.00 C ATOM 533 CD PRO A 37 97.183 14.189 -1.306 1.00 0.00 C ATOM 0 HA PRO A 37 93.947 14.149 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.474 13.431 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.329 12.373 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.574 14.221 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 37 97.651 12.624 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.978 14.932 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.387 13.440 -2.071 1.00 0.00 H new ATOM 541 N VAL A 38 93.946 15.540 1.558 1.00 0.00 N ATOM 542 CA VAL A 38 93.682 16.704 2.454 1.00 0.00 C ATOM 543 C VAL A 38 94.207 16.426 3.865 1.00 0.00 C ATOM 544 O VAL A 38 94.636 17.323 4.563 1.00 0.00 O ATOM 545 CB VAL A 38 92.162 16.855 2.470 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.688 17.416 1.130 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.517 15.487 2.708 1.00 0.00 C ATOM 0 H VAL A 38 93.502 14.665 1.839 1.00 0.00 H new ATOM 0 HA VAL A 38 94.180 17.609 2.106 1.00 0.00 H new ATOM 0 HB VAL A 38 91.874 17.538 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.603 17.523 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.147 18.390 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.976 16.736 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.432 15.593 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.806 14.804 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.853 15.088 3.665 1.00 0.00 H new ATOM 557 N ASP A 39 94.172 15.194 4.295 1.00 0.00 N ATOM 558 CA ASP A 39 94.666 14.876 5.667 1.00 0.00 C ATOM 559 C ASP A 39 95.459 13.567 5.664 1.00 0.00 C ATOM 560 O ASP A 39 95.751 13.007 4.626 1.00 0.00 O ATOM 561 CB ASP A 39 93.404 14.737 6.517 1.00 0.00 C ATOM 562 CG ASP A 39 93.253 15.971 7.408 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.438 17.067 6.905 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.954 15.801 8.578 1.00 0.00 O ATOM 0 H ASP A 39 93.825 14.398 3.760 1.00 0.00 H new ATOM 0 HA ASP A 39 95.336 15.645 6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.530 14.629 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.462 13.837 7.130 1.00 0.00 H new ATOM 569 N ASP A 40 95.811 13.079 6.822 1.00 0.00 N ATOM 570 CA ASP A 40 96.590 11.809 6.895 1.00 0.00 C ATOM 571 C ASP A 40 95.729 10.627 6.439 1.00 0.00 C ATOM 572 O ASP A 40 96.216 9.688 5.842 1.00 0.00 O ATOM 573 CB ASP A 40 96.969 11.663 8.367 1.00 0.00 C ATOM 574 CG ASP A 40 97.797 12.874 8.802 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.449 13.457 7.951 1.00 0.00 O ATOM 576 OD2 ASP A 40 97.762 13.198 9.977 1.00 0.00 O ATOM 0 H ASP A 40 95.593 13.505 7.723 1.00 0.00 H new ATOM 0 HA ASP A 40 97.467 11.826 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.070 11.584 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 40 97.539 10.746 8.518 1.00 0.00 H new ATOM 581 N LEU A 41 94.452 10.659 6.712 1.00 0.00 N ATOM 582 CA LEU A 41 93.585 9.528 6.279 1.00 0.00 C ATOM 583 C LEU A 41 93.444 9.541 4.756 1.00 0.00 C ATOM 584 O LEU A 41 93.616 8.534 4.099 1.00 0.00 O ATOM 585 CB LEU A 41 92.231 9.761 6.947 1.00 0.00 C ATOM 586 CG LEU A 41 91.349 8.530 6.731 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.902 7.358 7.539 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.925 8.831 7.193 1.00 0.00 C ATOM 0 H LEU A 41 93.977 11.411 7.211 1.00 0.00 H new ATOM 0 HA LEU A 41 94.002 8.561 6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.364 9.946 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.752 10.646 6.527 1.00 0.00 H new ATOM 0 HG LEU A 41 91.342 8.275 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.273 6.481 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.918 7.138 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.910 7.617 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.299 7.952 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.933 9.089 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.525 9.667 6.619 1.00 0.00 H new ATOM 600 N ASP A 42 93.147 10.679 4.184 1.00 0.00 N ATOM 601 CA ASP A 42 93.018 10.746 2.702 1.00 0.00 C ATOM 602 C ASP A 42 94.288 10.180 2.073 1.00 0.00 C ATOM 603 O ASP A 42 94.254 9.526 1.049 1.00 0.00 O ATOM 604 CB ASP A 42 92.863 12.232 2.374 1.00 0.00 C ATOM 605 CG ASP A 42 92.362 12.387 0.937 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.963 11.390 0.358 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.384 13.501 0.440 1.00 0.00 O ATOM 0 H ASP A 42 92.990 11.558 4.677 1.00 0.00 H new ATOM 0 HA ASP A 42 92.173 10.172 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.162 12.697 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.818 12.744 2.495 1.00 0.00 H new ATOM 612 N ARG A 43 95.409 10.411 2.698 1.00 0.00 N ATOM 613 CA ARG A 43 96.687 9.874 2.165 1.00 0.00 C ATOM 614 C ARG A 43 96.602 8.353 2.086 1.00 0.00 C ATOM 615 O ARG A 43 97.033 7.741 1.129 1.00 0.00 O ATOM 616 CB ARG A 43 97.742 10.294 3.185 1.00 0.00 C ATOM 617 CG ARG A 43 98.205 11.715 2.879 1.00 0.00 C ATOM 618 CD ARG A 43 99.645 11.683 2.371 1.00 0.00 C ATOM 619 NE ARG A 43 99.675 10.619 1.337 1.00 0.00 N ATOM 620 CZ ARG A 43 100.730 10.466 0.583 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.066 11.396 -0.269 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.447 9.379 0.678 1.00 0.00 N ATOM 0 H ARG A 43 95.493 10.951 3.559 1.00 0.00 H new ATOM 0 HA ARG A 43 96.918 10.243 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.330 10.243 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.589 9.609 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.554 12.168 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.138 12.332 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.935 12.646 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.342 11.464 3.180 1.00 0.00 H new ATOM 0 HE ARG A 43 98.869 10.006 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 43 100.504 12.244 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 43 101.890 11.275 -0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.183 8.650 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.271 9.259 0.089 1.00 0.00 H new ATOM 636 N CYS A 44 96.038 7.739 3.089 1.00 0.00 N ATOM 637 CA CYS A 44 95.914 6.264 3.078 1.00 0.00 C ATOM 638 C CYS A 44 95.146 5.825 1.833 1.00 0.00 C ATOM 639 O CYS A 44 95.490 4.857 1.182 1.00 0.00 O ATOM 640 CB CYS A 44 95.116 5.918 4.336 1.00 0.00 C ATOM 641 SG CYS A 44 95.948 6.575 5.804 1.00 0.00 S ATOM 0 H CYS A 44 95.658 8.201 3.915 1.00 0.00 H new ATOM 0 HA CYS A 44 96.884 5.766 3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.110 6.332 4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.010 4.837 4.422 1.00 0.00 H new ATOM 646 N CYS A 45 94.106 6.537 1.497 1.00 0.00 N ATOM 647 CA CYS A 45 93.305 6.176 0.294 1.00 0.00 C ATOM 648 C CYS A 45 94.176 6.283 -0.959 1.00 0.00 C ATOM 649 O CYS A 45 94.166 5.416 -1.811 1.00 0.00 O ATOM 650 CB CYS A 45 92.166 7.197 0.252 1.00 0.00 C ATOM 651 SG CYS A 45 91.062 6.927 1.663 1.00 0.00 S ATOM 0 H CYS A 45 93.775 7.357 2.006 1.00 0.00 H new ATOM 0 HA CYS A 45 92.927 5.155 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.569 8.209 0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.611 7.101 -0.681 1.00 0.00 H new ATOM 656 N GLN A 46 94.937 7.336 -1.074 1.00 0.00 N ATOM 657 CA GLN A 46 95.815 7.490 -2.269 1.00 0.00 C ATOM 658 C GLN A 46 96.779 6.304 -2.352 1.00 0.00 C ATOM 659 O GLN A 46 97.039 5.775 -3.413 1.00 0.00 O ATOM 660 CB GLN A 46 96.588 8.790 -2.037 1.00 0.00 C ATOM 661 CG GLN A 46 97.418 9.120 -3.280 1.00 0.00 C ATOM 662 CD GLN A 46 97.976 10.534 -3.166 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.757 11.212 -2.181 1.00 0.00 O ATOM 664 NE2 GLN A 46 98.694 11.011 -4.141 1.00 0.00 N ATOM 0 H GLN A 46 94.989 8.095 -0.394 1.00 0.00 H new ATOM 0 HA GLN A 46 95.249 7.520 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.895 9.604 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.239 8.688 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.234 8.404 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 46 96.801 9.033 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 46 98.877 10.440 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.074 11.955 -4.080 1.00 0.00 H new ATOM 673 N THR A 47 97.305 5.886 -1.234 1.00 0.00 N ATOM 674 CA THR A 47 98.248 4.737 -1.235 1.00 0.00 C ATOM 675 C THR A 47 97.561 3.496 -1.808 1.00 0.00 C ATOM 676 O THR A 47 98.183 2.669 -2.445 1.00 0.00 O ATOM 677 CB THR A 47 98.615 4.519 0.234 1.00 0.00 C ATOM 678 OG1 THR A 47 99.222 5.695 0.748 1.00 0.00 O ATOM 679 CG2 THR A 47 99.589 3.345 0.350 1.00 0.00 C ATOM 0 H THR A 47 97.120 6.294 -0.317 1.00 0.00 H new ATOM 0 HA THR A 47 99.129 4.926 -1.848 1.00 0.00 H new ATOM 0 HB THR A 47 97.714 4.297 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.527 6.331 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 47 99.850 3.191 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.120 2.443 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.492 3.564 -0.220 1.00 0.00 H new ATOM 687 N HIS A 48 96.280 3.365 -1.594 1.00 0.00 N ATOM 688 CA HIS A 48 95.557 2.182 -2.138 1.00 0.00 C ATOM 689 C HIS A 48 95.639 2.206 -3.662 1.00 0.00 C ATOM 690 O HIS A 48 96.005 1.236 -4.294 1.00 0.00 O ATOM 691 CB HIS A 48 94.110 2.346 -1.670 1.00 0.00 C ATOM 692 CG HIS A 48 93.409 1.017 -1.737 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.038 0.895 -1.577 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.877 -0.257 -1.946 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.731 -0.410 -1.694 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.816 -1.156 -1.919 1.00 0.00 N ATOM 0 H HIS A 48 95.705 4.023 -1.068 1.00 0.00 H new ATOM 0 HA HIS A 48 95.977 1.235 -1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.087 2.730 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.594 3.074 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.912 -0.521 -2.107 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.729 -0.806 -1.616 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.858 -2.167 -2.044 1.00 0.00 H new ATOM 704 N ASP A 49 95.312 3.320 -4.254 1.00 0.00 N ATOM 705 CA ASP A 49 95.384 3.424 -5.731 1.00 0.00 C ATOM 706 C ASP A 49 96.820 3.166 -6.188 1.00 0.00 C ATOM 707 O ASP A 49 97.063 2.501 -7.173 1.00 0.00 O ATOM 708 CB ASP A 49 94.967 4.860 -6.049 1.00 0.00 C ATOM 709 CG ASP A 49 93.443 4.942 -6.154 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.909 4.457 -7.138 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.835 5.488 -5.248 1.00 0.00 O ATOM 0 H ASP A 49 94.998 4.163 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 49 94.745 2.700 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.324 5.534 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.424 5.183 -6.984 1.00 0.00 H new ATOM 716 N ASN A 50 97.774 3.691 -5.467 1.00 0.00 N ATOM 717 CA ASN A 50 99.197 3.486 -5.836 1.00 0.00 C ATOM 718 C ASN A 50 99.552 1.999 -5.769 1.00 0.00 C ATOM 719 O ASN A 50 100.217 1.469 -6.637 1.00 0.00 O ATOM 720 CB ASN A 50 99.988 4.275 -4.789 1.00 0.00 C ATOM 721 CG ASN A 50 100.075 5.742 -5.211 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.920 6.111 -6.001 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.229 6.602 -4.712 1.00 0.00 N ATOM 0 H ASN A 50 97.623 4.257 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 50 99.416 3.817 -6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.504 4.194 -3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.989 3.856 -4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.278 7.583 -4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 50 98.519 6.293 -4.048 1.00 0.00 H new ATOM 730 N CYS A 51 99.111 1.322 -4.744 1.00 0.00 N ATOM 731 CA CYS A 51 99.424 -0.130 -4.623 1.00 0.00 C ATOM 732 C CYS A 51 98.771 -0.901 -5.773 1.00 0.00 C ATOM 733 O CYS A 51 99.342 -1.827 -6.315 1.00 0.00 O ATOM 734 CB CYS A 51 98.829 -0.555 -3.280 1.00 0.00 C ATOM 735 SG CYS A 51 99.632 -2.076 -2.717 1.00 0.00 S ATOM 0 H CYS A 51 98.549 1.711 -3.987 1.00 0.00 H new ATOM 0 HA CYS A 51 100.494 -0.331 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.967 0.236 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.755 -0.714 -3.380 1.00 0.00 H new ATOM 740 N TYR A 52 97.581 -0.523 -6.155 1.00 0.00 N ATOM 741 CA TYR A 52 96.900 -1.231 -7.277 1.00 0.00 C ATOM 742 C TYR A 52 97.694 -1.036 -8.571 1.00 0.00 C ATOM 743 O TYR A 52 97.750 -1.908 -9.414 1.00 0.00 O ATOM 744 CB TYR A 52 95.520 -0.582 -7.380 1.00 0.00 C ATOM 745 CG TYR A 52 94.554 -1.319 -6.483 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.444 -2.711 -6.569 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.769 -0.609 -5.565 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.550 -3.396 -5.736 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.875 -1.294 -4.732 1.00 0.00 C ATOM 750 CZ TYR A 52 92.766 -2.687 -4.819 1.00 0.00 C ATOM 751 OH TYR A 52 91.887 -3.362 -3.996 1.00 0.00 O ATOM 0 H TYR A 52 97.052 0.244 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 52 96.824 -2.305 -7.109 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.576 0.467 -7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.169 -0.609 -8.412 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.048 -3.258 -7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.853 0.466 -5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 52 93.466 -4.471 -5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 52 92.270 -0.748 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 52 92.391 -3.897 -3.348 1.00 0.00 H new ATOM 761 N LYS A 53 98.330 0.096 -8.721 1.00 0.00 N ATOM 762 CA LYS A 53 99.144 0.332 -9.951 1.00 0.00 C ATOM 763 C LYS A 53 100.363 -0.566 -9.880 1.00 0.00 C ATOM 764 O LYS A 53 100.640 -1.354 -10.762 1.00 0.00 O ATOM 765 CB LYS A 53 99.592 1.801 -9.902 1.00 0.00 C ATOM 766 CG LYS A 53 98.481 2.676 -9.333 1.00 0.00 C ATOM 767 CD LYS A 53 98.118 3.765 -10.345 1.00 0.00 C ATOM 768 CE LYS A 53 96.755 3.454 -10.966 1.00 0.00 C ATOM 769 NZ LYS A 53 96.386 4.690 -11.709 1.00 0.00 N ATOM 0 H LYS A 53 98.322 0.864 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 53 98.586 0.124 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.488 1.894 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.855 2.141 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.605 2.068 -9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.805 3.129 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 98.092 4.738 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.879 3.821 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.811 2.593 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.016 3.217 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.461 4.558 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.335 5.491 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 97.105 4.886 -12.435 1.00 0.00 H new ATOM 783 N GLN A 54 101.081 -0.449 -8.807 1.00 0.00 N ATOM 784 CA GLN A 54 102.289 -1.288 -8.617 1.00 0.00 C ATOM 785 C GLN A 54 101.909 -2.761 -8.760 1.00 0.00 C ATOM 786 O GLN A 54 102.665 -3.568 -9.263 1.00 0.00 O ATOM 787 CB GLN A 54 102.760 -0.985 -7.195 1.00 0.00 C ATOM 788 CG GLN A 54 103.327 0.434 -7.137 1.00 0.00 C ATOM 789 CD GLN A 54 104.288 0.553 -5.953 1.00 0.00 C ATOM 790 OE1 GLN A 54 104.101 1.380 -5.083 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.315 -0.248 -5.882 1.00 0.00 N ATOM 0 H GLN A 54 100.882 0.199 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 54 103.069 -1.081 -9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.929 -1.085 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.520 -1.705 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.847 0.667 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.517 1.156 -7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.472 -0.942 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.961 -0.180 -5.096 1.00 0.00 H new ATOM 800 N ALA A 55 100.730 -3.113 -8.321 1.00 0.00 N ATOM 801 CA ALA A 55 100.280 -4.530 -8.430 1.00 0.00 C ATOM 802 C ALA A 55 100.086 -4.903 -9.901 1.00 0.00 C ATOM 803 O ALA A 55 100.201 -6.051 -10.281 1.00 0.00 O ATOM 804 CB ALA A 55 98.947 -4.582 -7.682 1.00 0.00 C ATOM 0 H ALA A 55 100.058 -2.478 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 55 101.005 -5.230 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.549 -5.596 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.101 -4.288 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.239 -3.899 -8.152 1.00 0.00 H new ATOM 810 N LYS A 56 99.799 -3.940 -10.733 1.00 0.00 N ATOM 811 CA LYS A 56 99.606 -4.242 -12.179 1.00 0.00 C ATOM 812 C LYS A 56 100.958 -4.553 -12.826 1.00 0.00 C ATOM 813 O LYS A 56 101.117 -5.545 -13.510 1.00 0.00 O ATOM 814 CB LYS A 56 99.002 -2.968 -12.774 1.00 0.00 C ATOM 815 CG LYS A 56 97.549 -2.828 -12.312 1.00 0.00 C ATOM 816 CD LYS A 56 96.622 -2.814 -13.530 1.00 0.00 C ATOM 817 CE LYS A 56 95.349 -2.035 -13.193 1.00 0.00 C ATOM 818 NZ LYS A 56 94.795 -1.615 -14.511 1.00 0.00 N ATOM 0 H LYS A 56 99.690 -2.959 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 56 98.964 -5.107 -12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.580 -2.098 -12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.047 -3.005 -13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.286 -3.654 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.426 -1.909 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 56 97.128 -2.355 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.371 -3.834 -13.821 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.639 -2.656 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.569 -1.172 -12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 93.919 -1.074 -14.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 95.490 -1.020 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.589 -2.457 -15.085 1.00 0.00 H new ATOM 832 N LYS A 57 101.934 -3.715 -12.610 1.00 0.00 N ATOM 833 CA LYS A 57 103.275 -3.958 -13.203 1.00 0.00 C ATOM 834 C LYS A 57 103.806 -5.324 -12.762 1.00 0.00 C ATOM 835 O LYS A 57 104.572 -5.960 -13.459 1.00 0.00 O ATOM 836 CB LYS A 57 104.159 -2.839 -12.648 1.00 0.00 C ATOM 837 CG LYS A 57 104.892 -2.150 -13.799 1.00 0.00 C ATOM 838 CD LYS A 57 106.185 -2.907 -14.110 1.00 0.00 C ATOM 839 CE LYS A 57 107.373 -2.166 -13.491 1.00 0.00 C ATOM 840 NZ LYS A 57 108.336 -3.237 -13.106 1.00 0.00 N ATOM 0 H LYS A 57 101.858 -2.869 -12.045 1.00 0.00 H new ATOM 0 HA LYS A 57 103.252 -3.960 -14.293 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.550 -2.116 -12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.878 -3.247 -11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.255 -2.120 -14.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 105.118 -1.117 -13.533 1.00 0.00 H new ATOM 0 HD2 LYS A 57 106.129 -3.921 -13.714 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.318 -2.993 -15.188 1.00 0.00 H new ATOM 0 HE2 LYS A 57 107.819 -1.471 -14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 57 107.065 -1.581 -12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 109.179 -2.807 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 107.886 -3.879 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 108.616 -3.773 -13.952 1.00 0.00 H new ATOM 854 N LEU A 58 103.408 -5.775 -11.604 1.00 0.00 N ATOM 855 CA LEU A 58 103.889 -7.094 -11.107 1.00 0.00 C ATOM 856 C LEU A 58 103.878 -8.127 -12.236 1.00 0.00 C ATOM 857 O LEU A 58 102.839 -8.470 -12.766 1.00 0.00 O ATOM 858 CB LEU A 58 102.899 -7.487 -10.011 1.00 0.00 C ATOM 859 CG LEU A 58 103.640 -7.638 -8.682 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.817 -8.600 -8.857 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.164 -6.271 -8.235 1.00 0.00 C ATOM 0 H LEU A 58 102.768 -5.285 -10.979 1.00 0.00 H new ATOM 0 HA LEU A 58 104.913 -7.045 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.121 -6.729 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.404 -8.423 -10.272 1.00 0.00 H new ATOM 0 HG LEU A 58 102.958 -8.033 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.344 -8.706 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.447 -9.574 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 58 105.500 -8.206 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.693 -6.376 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.846 -5.878 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.327 -5.584 -8.109 1.00 0.00 H new ATOM 873 N ASP A 59 105.024 -8.629 -12.608 1.00 0.00 N ATOM 874 CA ASP A 59 105.071 -9.642 -13.701 1.00 0.00 C ATOM 875 C ASP A 59 103.963 -10.680 -13.503 1.00 0.00 C ATOM 876 O ASP A 59 103.141 -10.896 -14.371 1.00 0.00 O ATOM 877 CB ASP A 59 106.454 -10.294 -13.592 1.00 0.00 C ATOM 878 CG ASP A 59 106.806 -10.527 -12.120 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.438 -11.567 -11.601 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.439 -9.661 -11.539 1.00 0.00 O ATOM 0 H ASP A 59 105.927 -8.382 -12.204 1.00 0.00 H new ATOM 0 HA ASP A 59 104.916 -9.196 -14.683 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.463 -11.241 -14.131 1.00 0.00 H new ATOM 0 HB3 ASP A 59 107.204 -9.655 -14.058 1.00 0.00 H new ATOM 885 N SER A 60 103.931 -11.326 -12.368 1.00 0.00 N ATOM 886 CA SER A 60 102.878 -12.347 -12.119 1.00 0.00 C ATOM 887 C SER A 60 101.495 -11.759 -12.409 1.00 0.00 C ATOM 888 O SER A 60 100.753 -12.265 -13.227 1.00 0.00 O ATOM 889 CB SER A 60 103.012 -12.704 -10.640 1.00 0.00 C ATOM 890 OG SER A 60 104.095 -13.611 -10.474 1.00 0.00 O ATOM 0 H SER A 60 104.591 -11.189 -11.602 1.00 0.00 H new ATOM 0 HA SER A 60 102.991 -13.222 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.183 -11.803 -10.050 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.087 -13.153 -10.277 1.00 0.00 H new ATOM 0 HG SER A 60 104.927 -13.184 -10.765 1.00 0.00 H new ATOM 896 N CYS A 61 101.143 -10.691 -11.745 1.00 0.00 N ATOM 897 CA CYS A 61 99.809 -10.071 -11.986 1.00 0.00 C ATOM 898 C CYS A 61 99.677 -9.661 -13.454 1.00 0.00 C ATOM 899 O CYS A 61 98.593 -9.614 -14.002 1.00 0.00 O ATOM 900 CB CYS A 61 99.774 -8.838 -11.081 1.00 0.00 C ATOM 901 SG CYS A 61 99.931 -9.352 -9.354 1.00 0.00 S ATOM 0 H CYS A 61 101.721 -10.222 -11.047 1.00 0.00 H new ATOM 0 HA CYS A 61 98.990 -10.757 -11.771 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.584 -8.158 -11.344 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.841 -8.294 -11.226 1.00 0.00 H new ATOM 906 N LYS A 62 100.773 -9.359 -14.094 1.00 0.00 N ATOM 907 CA LYS A 62 100.713 -8.947 -15.527 1.00 0.00 C ATOM 908 C LYS A 62 100.494 -10.166 -16.428 1.00 0.00 C ATOM 909 O LYS A 62 100.009 -10.046 -17.536 1.00 0.00 O ATOM 910 CB LYS A 62 102.073 -8.309 -15.811 1.00 0.00 C ATOM 911 CG LYS A 62 101.963 -7.398 -17.035 1.00 0.00 C ATOM 912 CD LYS A 62 102.648 -8.065 -18.229 1.00 0.00 C ATOM 913 CE LYS A 62 101.953 -7.637 -19.523 1.00 0.00 C ATOM 914 NZ LYS A 62 101.530 -8.911 -20.169 1.00 0.00 N ATOM 0 H LYS A 62 101.708 -9.379 -13.687 1.00 0.00 H new ATOM 0 HA LYS A 62 99.889 -8.261 -15.722 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.405 -7.735 -14.946 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.820 -9.083 -15.986 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.915 -7.204 -17.265 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.427 -6.434 -16.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.701 -7.785 -18.260 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.609 -9.149 -18.125 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.097 -6.994 -19.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.628 -7.073 -20.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.943 -8.700 -21.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 102.371 -9.446 -20.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 100.980 -9.478 -19.492 1.00 0.00 H new ATOM 928 N VAL A 63 100.851 -11.335 -15.970 1.00 0.00 N ATOM 929 CA VAL A 63 100.665 -12.550 -16.813 1.00 0.00 C ATOM 930 C VAL A 63 99.472 -13.373 -16.316 1.00 0.00 C ATOM 931 O VAL A 63 99.410 -14.569 -16.512 1.00 0.00 O ATOM 932 CB VAL A 63 101.963 -13.340 -16.653 1.00 0.00 C ATOM 933 CG1 VAL A 63 103.144 -12.478 -17.104 1.00 0.00 C ATOM 934 CG2 VAL A 63 102.146 -13.727 -15.183 1.00 0.00 C ATOM 0 H VAL A 63 101.262 -11.501 -15.051 1.00 0.00 H new ATOM 0 HA VAL A 63 100.460 -12.300 -17.854 1.00 0.00 H new ATOM 0 HB VAL A 63 101.917 -14.242 -17.264 1.00 0.00 H new ATOM 0 HG11 VAL A 63 104.070 -13.041 -16.990 1.00 0.00 H new ATOM 0 HG12 VAL A 63 103.014 -12.201 -18.150 1.00 0.00 H new ATOM 0 HG13 VAL A 63 103.190 -11.576 -16.493 1.00 0.00 H new ATOM 0 HG21 VAL A 63 103.072 -14.291 -15.068 1.00 0.00 H new ATOM 0 HG22 VAL A 63 102.192 -12.825 -14.572 1.00 0.00 H new ATOM 0 HG23 VAL A 63 101.305 -14.341 -14.861 1.00 0.00 H new ATOM 944 N LEU A 64 98.522 -12.744 -15.678 1.00 0.00 N ATOM 945 CA LEU A 64 97.338 -13.497 -15.178 1.00 0.00 C ATOM 946 C LEU A 64 96.061 -12.934 -15.803 1.00 0.00 C ATOM 947 O LEU A 64 95.516 -13.494 -16.734 1.00 0.00 O ATOM 948 CB LEU A 64 97.343 -13.280 -13.664 1.00 0.00 C ATOM 949 CG LEU A 64 98.424 -14.158 -13.028 1.00 0.00 C ATOM 950 CD1 LEU A 64 98.695 -13.682 -11.600 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.947 -15.612 -12.999 1.00 0.00 C ATOM 0 H LEU A 64 98.515 -11.743 -15.482 1.00 0.00 H new ATOM 0 HA LEU A 64 97.377 -14.556 -15.434 1.00 0.00 H new ATOM 0 HB2 LEU A 64 97.531 -12.231 -13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 64 96.367 -13.527 -13.247 1.00 0.00 H new ATOM 0 HG LEU A 64 99.340 -14.087 -13.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 99.465 -14.308 -11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 64 99.034 -12.646 -11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 64 97.779 -13.752 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 64 98.716 -16.238 -12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 64 97.030 -15.683 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.755 -15.952 -14.017 1.00 0.00 H new ATOM 963 N VAL A 65 95.583 -11.827 -15.305 1.00 0.00 N ATOM 964 CA VAL A 65 94.348 -11.227 -15.872 1.00 0.00 C ATOM 965 C VAL A 65 94.282 -9.739 -15.555 1.00 0.00 C ATOM 966 O VAL A 65 93.238 -9.121 -15.591 1.00 0.00 O ATOM 967 CB VAL A 65 93.211 -11.968 -15.194 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.880 -11.288 -15.518 1.00 0.00 C ATOM 969 CG2 VAL A 65 93.176 -13.417 -15.683 1.00 0.00 C ATOM 0 H VAL A 65 95.997 -11.313 -14.528 1.00 0.00 H new ATOM 0 HA VAL A 65 94.308 -11.316 -16.958 1.00 0.00 H new ATOM 0 HB VAL A 65 93.369 -11.952 -14.116 1.00 0.00 H new ATOM 0 HG11 VAL A 65 91.068 -11.825 -15.028 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.901 -10.258 -15.161 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.721 -11.295 -16.596 1.00 0.00 H new ATOM 0 HG21 VAL A 65 92.358 -13.946 -15.194 1.00 0.00 H new ATOM 0 HG22 VAL A 65 93.025 -13.433 -16.762 1.00 0.00 H new ATOM 0 HG23 VAL A 65 94.120 -13.905 -15.442 1.00 0.00 H new ATOM 979 N ASP A 66 95.403 -9.178 -15.258 1.00 0.00 N ATOM 980 CA ASP A 66 95.475 -7.720 -14.933 1.00 0.00 C ATOM 981 C ASP A 66 94.254 -7.278 -14.124 1.00 0.00 C ATOM 982 O ASP A 66 93.538 -8.081 -13.559 1.00 0.00 O ATOM 983 CB ASP A 66 95.505 -7.014 -16.288 1.00 0.00 C ATOM 984 CG ASP A 66 94.146 -7.161 -16.976 1.00 0.00 C ATOM 985 OD1 ASP A 66 93.959 -8.147 -17.670 1.00 0.00 O ATOM 986 OD2 ASP A 66 93.315 -6.286 -16.795 1.00 0.00 O ATOM 0 H ASP A 66 96.298 -9.667 -15.222 1.00 0.00 H new ATOM 0 HA ASP A 66 96.348 -7.483 -14.325 1.00 0.00 H new ATOM 0 HB2 ASP A 66 95.743 -5.959 -16.154 1.00 0.00 H new ATOM 0 HB3 ASP A 66 96.289 -7.441 -16.914 1.00 0.00 H new ATOM 991 N ASN A 67 94.018 -5.998 -14.063 1.00 0.00 N ATOM 992 CA ASN A 67 92.846 -5.487 -13.295 1.00 0.00 C ATOM 993 C ASN A 67 92.725 -6.219 -11.956 1.00 0.00 C ATOM 994 O ASN A 67 92.063 -7.233 -11.861 1.00 0.00 O ATOM 995 CB ASN A 67 91.636 -5.786 -14.179 1.00 0.00 C ATOM 996 CG ASN A 67 90.452 -4.927 -13.733 1.00 0.00 C ATOM 997 OD1 ASN A 67 90.017 -5.014 -12.602 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.909 -4.095 -14.578 1.00 0.00 N ATOM 0 H ASN A 67 94.587 -5.281 -14.513 1.00 0.00 H new ATOM 0 HA ASN A 67 92.935 -4.425 -13.066 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.875 -5.580 -15.222 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.377 -6.843 -14.114 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.119 -3.518 -14.289 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.274 -4.022 -15.528 1.00 0.00 H new ATOM 1005 N PRO A 68 93.375 -5.677 -10.963 1.00 0.00 N ATOM 1006 CA PRO A 68 93.342 -6.283 -9.611 1.00 0.00 C ATOM 1007 C PRO A 68 91.997 -6.008 -8.930 1.00 0.00 C ATOM 1008 O PRO A 68 91.729 -6.495 -7.850 1.00 0.00 O ATOM 1009 CB PRO A 68 94.477 -5.578 -8.876 1.00 0.00 C ATOM 1010 CG PRO A 68 94.648 -4.269 -9.579 1.00 0.00 C ATOM 1011 CD PRO A 68 94.195 -4.460 -11.006 1.00 0.00 C ATOM 0 HA PRO A 68 93.457 -7.367 -9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 68 94.233 -5.431 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 68 95.394 -6.166 -8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 68 94.060 -3.492 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 68 95.690 -3.949 -9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 68 93.620 -3.604 -11.359 1.00 0.00 H new ATOM 0 HD3 PRO A 68 95.043 -4.575 -11.681 1.00 0.00 H new ATOM 1019 N TYR A 69 91.150 -5.232 -9.550 1.00 0.00 N ATOM 1020 CA TYR A 69 89.826 -4.933 -8.931 1.00 0.00 C ATOM 1021 C TYR A 69 88.796 -5.980 -9.361 1.00 0.00 C ATOM 1022 O TYR A 69 87.691 -5.657 -9.749 1.00 0.00 O ATOM 1023 CB TYR A 69 89.437 -3.549 -9.454 1.00 0.00 C ATOM 1024 CG TYR A 69 88.465 -2.896 -8.477 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.954 -2.132 -7.411 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.085 -3.063 -8.644 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.064 -1.533 -6.513 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.194 -2.464 -7.745 1.00 0.00 C ATOM 1029 CZ TYR A 69 86.684 -1.699 -6.679 1.00 0.00 C ATOM 1030 OH TYR A 69 85.807 -1.109 -5.791 1.00 0.00 O ATOM 0 H TYR A 69 91.316 -4.793 -10.456 1.00 0.00 H new ATOM 0 HA TYR A 69 89.868 -4.954 -7.842 1.00 0.00 H new ATOM 0 HB2 TYR A 69 90.326 -2.929 -9.570 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.978 -3.636 -10.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.019 -2.005 -7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.708 -3.654 -9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 69 88.442 -0.942 -5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.129 -2.592 -7.874 1.00 0.00 H new ATOM 0 HH TYR A 69 84.968 -0.897 -6.251 1.00 0.00 H new ATOM 1040 N THR A 70 89.155 -7.231 -9.291 1.00 0.00 N ATOM 1041 CA THR A 70 88.213 -8.311 -9.687 1.00 0.00 C ATOM 1042 C THR A 70 88.911 -9.672 -9.598 1.00 0.00 C ATOM 1043 O THR A 70 88.623 -10.579 -10.353 1.00 0.00 O ATOM 1044 CB THR A 70 87.829 -7.998 -11.135 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.099 -9.090 -11.676 1.00 0.00 O ATOM 1046 CG2 THR A 70 89.096 -7.768 -11.960 1.00 0.00 C ATOM 0 H THR A 70 90.069 -7.553 -8.973 1.00 0.00 H new ATOM 0 HA THR A 70 87.338 -8.355 -9.038 1.00 0.00 H new ATOM 0 HB THR A 70 87.212 -7.100 -11.163 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.446 -9.930 -11.309 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.823 -7.545 -12.991 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.654 -6.930 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.715 -8.665 -11.934 1.00 0.00 H new ATOM 1054 N ASN A 71 89.826 -9.820 -8.678 1.00 0.00 N ATOM 1055 CA ASN A 71 90.542 -11.121 -8.538 1.00 0.00 C ATOM 1056 C ASN A 71 89.867 -11.977 -7.464 1.00 0.00 C ATOM 1057 O ASN A 71 90.051 -13.177 -7.405 1.00 0.00 O ATOM 1058 CB ASN A 71 91.964 -10.748 -8.112 1.00 0.00 C ATOM 1059 CG ASN A 71 92.845 -11.999 -8.114 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.847 -12.757 -7.165 1.00 0.00 O ATOM 1061 ND2 ASN A 71 93.603 -12.247 -9.148 1.00 0.00 N ATOM 0 H ASN A 71 90.109 -9.096 -8.017 1.00 0.00 H new ATOM 0 HA ASN A 71 90.534 -11.701 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.374 -10.001 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.951 -10.301 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.196 -13.077 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 71 93.602 -11.611 -9.945 1.00 0.00 H new ATOM 1068 N ASN A 72 89.089 -11.367 -6.611 1.00 0.00 N ATOM 1069 CA ASN A 72 88.404 -12.144 -5.539 1.00 0.00 C ATOM 1070 C ASN A 72 89.416 -13.025 -4.804 1.00 0.00 C ATOM 1071 O ASN A 72 89.743 -14.110 -5.242 1.00 0.00 O ATOM 1072 CB ASN A 72 87.371 -13.003 -6.271 1.00 0.00 C ATOM 1073 CG ASN A 72 85.995 -12.804 -5.632 1.00 0.00 C ATOM 1074 OD1 ASN A 72 85.891 -12.305 -4.529 1.00 0.00 O ATOM 1075 ND2 ASN A 72 84.927 -13.174 -6.284 1.00 0.00 N ATOM 0 H ASN A 72 88.898 -10.365 -6.610 1.00 0.00 H new ATOM 0 HA ASN A 72 87.939 -11.502 -4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 72 87.337 -12.729 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.657 -14.054 -6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 72 84.005 -13.044 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 72 85.014 -13.593 -7.210 1.00 0.00 H new ATOM 1082 N TYR A 73 89.916 -12.565 -3.690 1.00 0.00 N ATOM 1083 CA TYR A 73 90.910 -13.376 -2.929 1.00 0.00 C ATOM 1084 C TYR A 73 90.322 -13.815 -1.586 1.00 0.00 C ATOM 1085 O TYR A 73 89.238 -13.415 -1.209 1.00 0.00 O ATOM 1086 CB TYR A 73 92.101 -12.442 -2.716 1.00 0.00 C ATOM 1087 CG TYR A 73 91.642 -11.177 -2.030 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.524 -11.141 -0.635 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.336 -10.039 -2.787 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.101 -9.968 0.003 1.00 0.00 C ATOM 1091 CE2 TYR A 73 90.913 -8.865 -2.149 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.796 -8.831 -0.755 1.00 0.00 C ATOM 1093 OH TYR A 73 90.381 -7.674 -0.126 1.00 0.00 O ATOM 0 H TYR A 73 89.680 -11.664 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 73 91.194 -14.285 -3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 73 92.861 -12.939 -2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 73 92.562 -12.201 -3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.759 -12.018 -0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 73 91.426 -10.066 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.010 -9.941 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.678 -7.987 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 73 90.763 -6.897 -0.585 1.00 0.00 H new ATOM 1103 N SER A 74 91.029 -14.637 -0.859 1.00 0.00 N ATOM 1104 CA SER A 74 90.511 -15.101 0.461 1.00 0.00 C ATOM 1105 C SER A 74 91.414 -14.590 1.584 1.00 0.00 C ATOM 1106 O SER A 74 92.605 -14.825 1.591 1.00 0.00 O ATOM 1107 CB SER A 74 90.555 -16.626 0.390 1.00 0.00 C ATOM 1108 OG SER A 74 89.325 -17.108 -0.134 1.00 0.00 O ATOM 0 H SER A 74 91.942 -15.007 -1.121 1.00 0.00 H new ATOM 0 HA SER A 74 89.505 -14.733 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.383 -16.948 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 74 90.729 -17.043 1.382 1.00 0.00 H new ATOM 0 HG SER A 74 89.351 -18.086 -0.182 1.00 0.00 H new ATOM 1114 N TYR A 75 90.858 -13.886 2.531 1.00 0.00 N ATOM 1115 CA TYR A 75 91.691 -13.357 3.647 1.00 0.00 C ATOM 1116 C TYR A 75 91.075 -13.731 4.999 1.00 0.00 C ATOM 1117 O TYR A 75 90.080 -14.426 5.071 1.00 0.00 O ATOM 1118 CB TYR A 75 91.687 -11.839 3.455 1.00 0.00 C ATOM 1119 CG TYR A 75 90.349 -11.268 3.913 1.00 0.00 C ATOM 1120 CD1 TYR A 75 90.175 -10.880 5.246 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.293 -11.135 3.003 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.948 -10.358 5.670 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.064 -10.613 3.427 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.893 -10.224 4.761 1.00 0.00 C ATOM 1125 OH TYR A 75 86.682 -9.710 5.179 1.00 0.00 O ATOM 0 H TYR A 75 89.866 -13.655 2.580 1.00 0.00 H new ATOM 0 HA TYR A 75 92.700 -13.768 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.500 -11.388 4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.858 -11.595 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.989 -10.984 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 75 89.426 -11.435 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.815 -10.058 6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.249 -10.511 2.725 1.00 0.00 H new ATOM 0 HH TYR A 75 86.059 -9.684 4.423 1.00 0.00 H new ATOM 1135 N SER A 76 91.661 -13.268 6.068 1.00 0.00 N ATOM 1136 CA SER A 76 91.119 -13.582 7.418 1.00 0.00 C ATOM 1137 C SER A 76 91.356 -12.397 8.353 1.00 0.00 C ATOM 1138 O SER A 76 91.684 -11.310 7.919 1.00 0.00 O ATOM 1139 CB SER A 76 91.903 -14.805 7.889 1.00 0.00 C ATOM 1140 OG SER A 76 91.065 -15.952 7.821 1.00 0.00 O ATOM 0 H SER A 76 92.496 -12.683 6.064 1.00 0.00 H new ATOM 0 HA SER A 76 90.046 -13.775 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 76 92.786 -14.948 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 76 92.254 -14.656 8.910 1.00 0.00 H new ATOM 0 HG SER A 76 91.564 -16.740 8.121 1.00 0.00 H new ATOM 1146 N CYS A 77 91.198 -12.591 9.628 1.00 0.00 N ATOM 1147 CA CYS A 77 91.425 -11.466 10.579 1.00 0.00 C ATOM 1148 C CYS A 77 91.768 -12.021 11.959 1.00 0.00 C ATOM 1149 O CYS A 77 91.893 -13.215 12.147 1.00 0.00 O ATOM 1150 CB CYS A 77 90.099 -10.704 10.617 1.00 0.00 C ATOM 1151 SG CYS A 77 90.370 -9.006 11.185 1.00 0.00 S ATOM 0 H CYS A 77 90.923 -13.475 10.055 1.00 0.00 H new ATOM 0 HA CYS A 77 92.250 -10.821 10.277 1.00 0.00 H new ATOM 0 HB2 CYS A 77 89.647 -10.696 9.625 1.00 0.00 H new ATOM 0 HB3 CYS A 77 89.399 -11.210 11.282 1.00 0.00 H new ATOM 1156 N SER A 78 91.922 -11.166 12.923 1.00 0.00 N ATOM 1157 CA SER A 78 92.259 -11.642 14.295 1.00 0.00 C ATOM 1158 C SER A 78 92.545 -10.457 15.223 1.00 0.00 C ATOM 1159 O SER A 78 93.459 -9.688 15.001 1.00 0.00 O ATOM 1160 CB SER A 78 93.513 -12.497 14.119 1.00 0.00 C ATOM 1161 OG SER A 78 94.168 -12.633 15.374 1.00 0.00 O ATOM 0 H SER A 78 91.830 -10.155 12.825 1.00 0.00 H new ATOM 0 HA SER A 78 91.439 -12.201 14.746 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.246 -13.478 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.183 -12.035 13.394 1.00 0.00 H new ATOM 0 HG SER A 78 93.514 -12.531 16.097 1.00 0.00 H new ATOM 1167 N ASN A 79 91.773 -10.313 16.264 1.00 0.00 N ATOM 1168 CA ASN A 79 91.998 -9.188 17.221 1.00 0.00 C ATOM 1169 C ASN A 79 92.342 -7.896 16.472 1.00 0.00 C ATOM 1170 O ASN A 79 93.350 -7.268 16.730 1.00 0.00 O ATOM 1171 CB ASN A 79 93.178 -9.635 18.084 1.00 0.00 C ATOM 1172 CG ASN A 79 92.975 -11.091 18.514 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.534 -12.047 17.822 1.00 0.00 O flip ATOM 1174 ND2 ASN A 79 92.301 -11.361 19.487 1.00 0.00 N flip ATOM 0 H ASN A 79 90.992 -10.927 16.496 1.00 0.00 H new ATOM 0 HA ASN A 79 91.109 -8.975 17.815 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.109 -9.536 17.525 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.264 -8.994 18.962 1.00 0.00 H new ATOM 0 HD21 ASN A 79 91.864 -10.615 20.028 1.00 0.00 H new ATOM 0 HD22 ASN A 79 92.172 -12.334 19.764 1.00 0.00 H new ATOM 1181 N ASN A 80 91.502 -7.485 15.561 1.00 0.00 N ATOM 1182 CA ASN A 80 91.758 -6.240 14.807 1.00 0.00 C ATOM 1183 C ASN A 80 93.024 -6.367 13.959 1.00 0.00 C ATOM 1184 O ASN A 80 93.859 -5.483 13.922 1.00 0.00 O ATOM 1185 CB ASN A 80 91.912 -5.168 15.874 1.00 0.00 C ATOM 1186 CG ASN A 80 90.847 -5.332 16.929 1.00 0.00 C ATOM 1187 OD1 ASN A 80 91.108 -5.195 18.108 1.00 0.00 O ATOM 1188 ND2 ASN A 80 89.651 -5.620 16.560 1.00 0.00 N ATOM 0 H ASN A 80 90.641 -7.970 15.309 1.00 0.00 H new ATOM 0 HA ASN A 80 90.955 -6.006 14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.900 -5.236 16.329 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.837 -4.179 15.421 1.00 0.00 H new ATOM 0 HD21 ASN A 80 88.916 -5.735 17.258 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.436 -5.734 15.569 1.00 0.00 H new ATOM 1195 N GLU A 81 93.154 -7.458 13.262 1.00 0.00 N ATOM 1196 CA GLU A 81 94.338 -7.662 12.391 1.00 0.00 C ATOM 1197 C GLU A 81 93.954 -8.503 11.182 1.00 0.00 C ATOM 1198 O GLU A 81 93.710 -9.689 11.279 1.00 0.00 O ATOM 1199 CB GLU A 81 95.369 -8.388 13.245 1.00 0.00 C ATOM 1200 CG GLU A 81 95.408 -7.740 14.620 1.00 0.00 C ATOM 1201 CD GLU A 81 96.469 -8.424 15.485 1.00 0.00 C ATOM 1202 OE1 GLU A 81 96.812 -9.554 15.180 1.00 0.00 O ATOM 1203 OE2 GLU A 81 96.918 -7.808 16.436 1.00 0.00 O ATOM 0 H GLU A 81 92.482 -8.225 13.260 1.00 0.00 H new ATOM 0 HA GLU A 81 94.733 -6.718 12.017 1.00 0.00 H new ATOM 0 HB2 GLU A 81 95.111 -9.444 13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 81 96.351 -8.337 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.632 -6.678 14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 81 94.431 -7.818 15.097 1.00 0.00 H new ATOM 1210 N ILE A 82 93.895 -7.886 10.047 1.00 0.00 N ATOM 1211 CA ILE A 82 93.521 -8.624 8.807 1.00 0.00 C ATOM 1212 C ILE A 82 94.562 -9.703 8.494 1.00 0.00 C ATOM 1213 O ILE A 82 95.751 -9.500 8.644 1.00 0.00 O ATOM 1214 CB ILE A 82 93.492 -7.564 7.708 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.256 -6.678 7.890 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.427 -8.250 6.342 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.527 -5.296 7.294 1.00 0.00 C ATOM 0 H ILE A 82 94.090 -6.893 9.916 1.00 0.00 H new ATOM 0 HA ILE A 82 92.562 -9.134 8.904 1.00 0.00 H new ATOM 0 HB ILE A 82 94.392 -6.953 7.767 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.394 -7.133 7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.013 -6.588 8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.406 -7.495 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.303 -8.885 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.525 -8.859 6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.648 -4.665 7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.378 -4.841 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.749 -5.395 6.232 1.00 0.00 H new ATOM 1229 N THR A 83 94.116 -10.850 8.065 1.00 0.00 N ATOM 1230 CA THR A 83 95.062 -11.955 7.743 1.00 0.00 C ATOM 1231 C THR A 83 94.936 -12.341 6.263 1.00 0.00 C ATOM 1232 O THR A 83 93.863 -12.319 5.694 1.00 0.00 O ATOM 1233 CB THR A 83 94.625 -13.110 8.654 1.00 0.00 C ATOM 1234 OG1 THR A 83 95.237 -12.959 9.929 1.00 0.00 O ATOM 1235 CG2 THR A 83 95.043 -14.451 8.045 1.00 0.00 C ATOM 0 H THR A 83 93.131 -11.071 7.923 1.00 0.00 H new ATOM 0 HA THR A 83 96.105 -11.682 7.904 1.00 0.00 H new ATOM 0 HB THR A 83 93.540 -13.091 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.959 -13.694 10.514 1.00 0.00 H new ATOM 0 HG21 THR A 83 94.727 -15.263 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.573 -14.570 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.127 -14.477 7.931 1.00 0.00 H new ATOM 1243 N CYS A 84 96.025 -12.697 5.637 1.00 0.00 N ATOM 1244 CA CYS A 84 95.968 -13.087 4.200 1.00 0.00 C ATOM 1245 C CYS A 84 96.474 -14.521 4.023 1.00 0.00 C ATOM 1246 O CYS A 84 97.530 -14.881 4.506 1.00 0.00 O ATOM 1247 CB CYS A 84 96.892 -12.100 3.488 1.00 0.00 C ATOM 1248 SG CYS A 84 96.085 -10.484 3.383 1.00 0.00 S ATOM 0 H CYS A 84 96.953 -12.734 6.060 1.00 0.00 H new ATOM 0 HA CYS A 84 94.954 -13.057 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 84 97.834 -12.013 4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.130 -12.465 2.489 1.00 0.00 H new ATOM 1253 N SER A 85 95.729 -15.343 3.337 1.00 0.00 N ATOM 1254 CA SER A 85 96.169 -16.753 3.132 1.00 0.00 C ATOM 1255 C SER A 85 97.572 -16.788 2.518 1.00 0.00 C ATOM 1256 O SER A 85 97.750 -16.553 1.339 1.00 0.00 O ATOM 1257 CB SER A 85 95.145 -17.348 2.164 1.00 0.00 C ATOM 1258 OG SER A 85 94.684 -16.329 1.286 1.00 0.00 O ATOM 0 H SER A 85 94.835 -15.100 2.910 1.00 0.00 H new ATOM 0 HA SER A 85 96.220 -17.310 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 85 95.596 -18.160 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.308 -17.774 2.718 1.00 0.00 H new ATOM 0 HG SER A 85 93.742 -16.135 1.476 1.00 0.00 H new ATOM 1264 N SER A 86 98.569 -17.079 3.309 1.00 0.00 N ATOM 1265 CA SER A 86 99.959 -17.127 2.771 1.00 0.00 C ATOM 1266 C SER A 86 99.983 -17.871 1.435 1.00 0.00 C ATOM 1267 O SER A 86 100.780 -17.579 0.565 1.00 0.00 O ATOM 1268 CB SER A 86 100.768 -17.886 3.824 1.00 0.00 C ATOM 1269 OG SER A 86 100.129 -19.125 4.104 1.00 0.00 O ATOM 0 H SER A 86 98.481 -17.285 4.304 1.00 0.00 H new ATOM 0 HA SER A 86 100.365 -16.132 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.782 -18.060 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.850 -17.292 4.734 1.00 0.00 H new ATOM 0 HG SER A 86 100.646 -19.615 4.777 1.00 0.00 H new ATOM 1275 N GLU A 87 99.113 -18.828 1.260 1.00 0.00 N ATOM 1276 CA GLU A 87 99.086 -19.583 -0.024 1.00 0.00 C ATOM 1277 C GLU A 87 98.977 -18.605 -1.193 1.00 0.00 C ATOM 1278 O GLU A 87 99.347 -18.909 -2.310 1.00 0.00 O ATOM 1279 CB GLU A 87 97.835 -20.458 0.058 1.00 0.00 C ATOM 1280 CG GLU A 87 98.188 -21.802 0.697 1.00 0.00 C ATOM 1281 CD GLU A 87 96.903 -22.557 1.038 1.00 0.00 C ATOM 1282 OE1 GLU A 87 96.088 -22.732 0.147 1.00 0.00 O ATOM 1283 OE2 GLU A 87 96.754 -22.947 2.184 1.00 0.00 O ATOM 0 H GLU A 87 98.421 -19.119 1.950 1.00 0.00 H new ATOM 0 HA GLU A 87 99.987 -20.177 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 87 97.066 -19.956 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 97.423 -20.615 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 87 98.799 -22.392 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 87 98.780 -21.644 1.599 1.00 0.00 H new ATOM 1290 N ASN A 88 98.466 -17.433 -0.941 1.00 0.00 N ATOM 1291 CA ASN A 88 98.323 -16.430 -2.029 1.00 0.00 C ATOM 1292 C ASN A 88 99.651 -16.260 -2.772 1.00 0.00 C ATOM 1293 O ASN A 88 100.673 -15.978 -2.181 1.00 0.00 O ATOM 1294 CB ASN A 88 97.928 -15.134 -1.321 1.00 0.00 C ATOM 1295 CG ASN A 88 96.477 -15.239 -0.849 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.793 -16.194 -1.162 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.973 -14.293 -0.106 1.00 0.00 N ATOM 0 H ASN A 88 98.140 -17.126 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 88 97.584 -16.728 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.587 -14.955 -0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.042 -14.287 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.006 -14.355 0.212 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.546 -13.491 0.157 1.00 0.00 H new ATOM 1304 N ASN A 89 99.642 -16.433 -4.066 1.00 0.00 N ATOM 1305 CA ASN A 89 100.905 -16.284 -4.844 1.00 0.00 C ATOM 1306 C ASN A 89 101.415 -14.843 -4.760 1.00 0.00 C ATOM 1307 O ASN A 89 100.782 -13.980 -4.185 1.00 0.00 O ATOM 1308 CB ASN A 89 100.543 -16.645 -6.285 1.00 0.00 C ATOM 1309 CG ASN A 89 99.246 -15.940 -6.691 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.246 -16.043 -6.009 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.220 -15.225 -7.780 1.00 0.00 N ATOM 0 H ASN A 89 98.817 -16.670 -4.617 1.00 0.00 H new ATOM 0 HA ASN A 89 101.698 -16.924 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.351 -16.353 -6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.425 -17.724 -6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.360 -14.752 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 89 100.059 -15.138 -8.353 1.00 0.00 H new ATOM 1318 N ALA A 90 102.561 -14.583 -5.326 1.00 0.00 N ATOM 1319 CA ALA A 90 103.127 -13.207 -5.279 1.00 0.00 C ATOM 1320 C ALA A 90 102.080 -12.170 -5.704 1.00 0.00 C ATOM 1321 O ALA A 90 102.113 -11.034 -5.275 1.00 0.00 O ATOM 1322 CB ALA A 90 104.294 -13.226 -6.267 1.00 0.00 C ATOM 0 H ALA A 90 103.132 -15.268 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 90 103.443 -12.932 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.766 -12.244 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 90 105.024 -13.972 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.925 -13.475 -7.262 1.00 0.00 H new ATOM 1328 N CYS A 91 101.157 -12.544 -6.548 1.00 0.00 N ATOM 1329 CA CYS A 91 100.121 -11.569 -6.998 1.00 0.00 C ATOM 1330 C CYS A 91 99.019 -11.427 -5.945 1.00 0.00 C ATOM 1331 O CYS A 91 98.743 -10.346 -5.464 1.00 0.00 O ATOM 1332 CB CYS A 91 99.553 -12.157 -8.289 1.00 0.00 C ATOM 1333 SG CYS A 91 98.623 -10.881 -9.171 1.00 0.00 S ATOM 0 H CYS A 91 101.075 -13.480 -6.945 1.00 0.00 H new ATOM 0 HA CYS A 91 100.539 -10.574 -7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.361 -12.533 -8.917 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.905 -13.004 -8.062 1.00 0.00 H new ATOM 1338 N GLU A 92 98.385 -12.508 -5.581 1.00 0.00 N ATOM 1339 CA GLU A 92 97.303 -12.428 -4.559 1.00 0.00 C ATOM 1340 C GLU A 92 97.848 -11.813 -3.270 1.00 0.00 C ATOM 1341 O GLU A 92 97.147 -11.129 -2.551 1.00 0.00 O ATOM 1342 CB GLU A 92 96.868 -13.874 -4.323 1.00 0.00 C ATOM 1343 CG GLU A 92 96.187 -14.414 -5.581 1.00 0.00 C ATOM 1344 CD GLU A 92 94.750 -13.893 -5.648 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.515 -12.796 -5.167 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.909 -14.599 -6.179 1.00 0.00 O ATOM 0 H GLU A 92 98.569 -13.442 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 92 96.470 -11.804 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.733 -14.489 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.184 -13.925 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.739 -14.103 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.190 -15.504 -5.569 1.00 0.00 H new ATOM 1353 N ALA A 93 99.095 -12.051 -2.976 1.00 0.00 N ATOM 1354 CA ALA A 93 99.689 -11.479 -1.735 1.00 0.00 C ATOM 1355 C ALA A 93 99.883 -9.968 -1.895 1.00 0.00 C ATOM 1356 O ALA A 93 99.687 -9.205 -0.970 1.00 0.00 O ATOM 1357 CB ALA A 93 101.035 -12.185 -1.579 1.00 0.00 C ATOM 0 H ALA A 93 99.729 -12.617 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 93 99.053 -11.626 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.537 -11.818 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.874 -13.259 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.655 -11.982 -2.452 1.00 0.00 H new ATOM 1363 N PHE A 94 100.263 -9.528 -3.066 1.00 0.00 N ATOM 1364 CA PHE A 94 100.463 -8.066 -3.285 1.00 0.00 C ATOM 1365 C PHE A 94 99.127 -7.330 -3.169 1.00 0.00 C ATOM 1366 O PHE A 94 99.052 -6.241 -2.634 1.00 0.00 O ATOM 1367 CB PHE A 94 101.022 -7.948 -4.704 1.00 0.00 C ATOM 1368 CG PHE A 94 101.578 -6.559 -4.916 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.714 -5.457 -4.963 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.957 -6.372 -5.067 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.230 -4.170 -5.160 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.473 -5.086 -5.263 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.609 -3.985 -5.310 1.00 0.00 C ATOM 0 H PHE A 94 100.443 -10.117 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 94 101.134 -7.625 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.804 -8.691 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.238 -8.152 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.650 -5.600 -4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.623 -7.221 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.564 -3.321 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.537 -4.943 -5.378 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.007 -2.993 -5.462 1.00 0.00 H new ATOM 1383 N ILE A 95 98.070 -7.917 -3.659 1.00 0.00 N ATOM 1384 CA ILE A 95 96.741 -7.248 -3.565 1.00 0.00 C ATOM 1385 C ILE A 95 96.259 -7.269 -2.114 1.00 0.00 C ATOM 1386 O ILE A 95 95.745 -6.293 -1.605 1.00 0.00 O ATOM 1387 CB ILE A 95 95.809 -8.071 -4.455 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.433 -8.229 -5.843 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.463 -7.353 -4.581 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.684 -6.847 -6.451 1.00 0.00 C ATOM 0 H ILE A 95 98.068 -8.827 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 95 96.776 -6.206 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 95 95.659 -9.055 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.370 -8.782 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.770 -8.807 -6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.797 -7.938 -5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.017 -7.240 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.616 -6.369 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 95 97.129 -6.960 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.739 -6.310 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 95 97.363 -6.285 -5.810 1.00 0.00 H new ATOM 1402 N CYS A 96 96.432 -8.375 -1.442 1.00 0.00 N ATOM 1403 CA CYS A 96 95.996 -8.458 -0.020 1.00 0.00 C ATOM 1404 C CYS A 96 96.718 -7.386 0.799 1.00 0.00 C ATOM 1405 O CYS A 96 96.238 -6.939 1.822 1.00 0.00 O ATOM 1406 CB CYS A 96 96.409 -9.856 0.442 1.00 0.00 C ATOM 1407 SG CYS A 96 95.165 -10.506 1.585 1.00 0.00 S ATOM 0 H CYS A 96 96.856 -9.224 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 96 94.925 -8.295 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 96 96.511 -10.519 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.382 -9.816 0.931 1.00 0.00 H new ATOM 1412 N ASN A 97 97.870 -6.968 0.349 1.00 0.00 N ATOM 1413 CA ASN A 97 98.629 -5.924 1.090 1.00 0.00 C ATOM 1414 C ASN A 97 98.056 -4.538 0.781 1.00 0.00 C ATOM 1415 O ASN A 97 97.976 -3.684 1.640 1.00 0.00 O ATOM 1416 CB ASN A 97 100.063 -6.041 0.573 1.00 0.00 C ATOM 1417 CG ASN A 97 100.672 -7.356 1.048 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.046 -8.107 1.769 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.877 -7.669 0.668 1.00 0.00 N ATOM 0 H ASN A 97 98.318 -7.306 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 97 98.573 -6.056 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.072 -5.997 -0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.659 -5.202 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.297 -8.546 0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.401 -7.037 0.063 1.00 0.00 H new ATOM 1426 N CYS A 98 97.649 -4.312 -0.440 1.00 0.00 N ATOM 1427 CA CYS A 98 97.076 -2.982 -0.802 1.00 0.00 C ATOM 1428 C CYS A 98 95.774 -2.749 -0.034 1.00 0.00 C ATOM 1429 O CYS A 98 95.548 -1.690 0.518 1.00 0.00 O ATOM 1430 CB CYS A 98 96.801 -3.059 -2.305 1.00 0.00 C ATOM 1431 SG CYS A 98 98.313 -3.536 -3.176 1.00 0.00 S ATOM 0 H CYS A 98 97.688 -4.990 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 98 97.749 -2.161 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.011 -3.783 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.448 -2.095 -2.670 1.00 0.00 H new ATOM 1436 N ASP A 99 94.918 -3.731 0.006 1.00 0.00 N ATOM 1437 CA ASP A 99 93.631 -3.569 0.741 1.00 0.00 C ATOM 1438 C ASP A 99 93.892 -3.507 2.247 1.00 0.00 C ATOM 1439 O ASP A 99 93.300 -2.722 2.959 1.00 0.00 O ATOM 1440 CB ASP A 99 92.812 -4.812 0.387 1.00 0.00 C ATOM 1441 CG ASP A 99 92.582 -4.859 -1.124 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.450 -4.405 -1.850 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.542 -5.350 -1.529 1.00 0.00 O ATOM 0 H ASP A 99 95.053 -4.639 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 99 93.111 -2.650 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.335 -5.710 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.856 -4.792 0.910 1.00 0.00 H new ATOM 1448 N ARG A 100 94.777 -4.332 2.738 1.00 0.00 N ATOM 1449 CA ARG A 100 95.079 -4.323 4.197 1.00 0.00 C ATOM 1450 C ARG A 100 95.859 -3.060 4.572 1.00 0.00 C ATOM 1451 O ARG A 100 95.561 -2.405 5.552 1.00 0.00 O ATOM 1452 CB ARG A 100 95.932 -5.569 4.434 1.00 0.00 C ATOM 1453 CG ARG A 100 95.898 -5.933 5.919 1.00 0.00 C ATOM 1454 CD ARG A 100 97.260 -6.489 6.339 1.00 0.00 C ATOM 1455 NE ARG A 100 96.973 -7.842 6.863 1.00 0.00 N ATOM 1456 CZ ARG A 100 97.946 -8.598 7.292 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.811 -8.128 8.150 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.054 -9.826 6.864 1.00 0.00 N ATOM 0 H ARG A 100 95.304 -5.012 2.191 1.00 0.00 H new ATOM 0 HA ARG A 100 94.173 -4.327 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.556 -6.399 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 100 96.959 -5.386 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.653 -5.054 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.118 -6.672 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 100 97.948 -6.530 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.726 -5.861 7.099 1.00 0.00 H new ATOM 0 HE ARG A 100 96.013 -8.185 6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.727 -7.169 8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.571 -8.720 8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.378 -10.194 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 100 98.814 -10.418 7.199 1.00 0.00 H new ATOM 1472 N ASN A 101 96.853 -2.708 3.802 1.00 0.00 N ATOM 1473 CA ASN A 101 97.640 -1.484 4.123 1.00 0.00 C ATOM 1474 C ASN A 101 96.705 -0.276 4.197 1.00 0.00 C ATOM 1475 O ASN A 101 96.907 0.633 4.978 1.00 0.00 O ATOM 1476 CB ASN A 101 98.634 -1.329 2.971 1.00 0.00 C ATOM 1477 CG ASN A 101 99.861 -2.195 3.236 1.00 0.00 C ATOM 1478 OD1 ASN A 101 99.920 -2.908 4.218 1.00 0.00 O ATOM 1479 ND2 ASN A 101 100.853 -2.164 2.392 1.00 0.00 N ATOM 0 H ASN A 101 97.153 -3.213 2.968 1.00 0.00 H new ATOM 0 HA ASN A 101 98.151 -1.557 5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.166 -1.621 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.928 -0.284 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.680 -2.739 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.803 -1.565 1.568 1.00 0.00 H new ATOM 1486 N ALA A 102 95.677 -0.268 3.396 1.00 0.00 N ATOM 1487 CA ALA A 102 94.717 0.872 3.426 1.00 0.00 C ATOM 1488 C ALA A 102 93.835 0.764 4.670 1.00 0.00 C ATOM 1489 O ALA A 102 93.590 1.736 5.358 1.00 0.00 O ATOM 1490 CB ALA A 102 93.880 0.720 2.156 1.00 0.00 C ATOM 0 H ALA A 102 95.459 -1.001 2.721 1.00 0.00 H new ATOM 0 HA ALA A 102 95.215 1.841 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.147 1.525 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.531 0.766 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.364 -0.240 2.173 1.00 0.00 H new ATOM 1496 N ALA A 103 93.363 -0.416 4.968 1.00 0.00 N ATOM 1497 CA ALA A 103 92.504 -0.596 6.171 1.00 0.00 C ATOM 1498 C ALA A 103 93.315 -0.297 7.432 1.00 0.00 C ATOM 1499 O ALA A 103 92.831 0.310 8.368 1.00 0.00 O ATOM 1500 CB ALA A 103 92.082 -2.066 6.139 1.00 0.00 C ATOM 0 H ALA A 103 93.536 -1.264 4.429 1.00 0.00 H new ATOM 0 HA ALA A 103 91.643 0.072 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.444 -2.280 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.533 -2.267 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.968 -2.700 6.179 1.00 0.00 H new ATOM 1506 N ILE A 104 94.552 -0.716 7.460 1.00 0.00 N ATOM 1507 CA ILE A 104 95.404 -0.456 8.656 1.00 0.00 C ATOM 1508 C ILE A 104 95.664 1.045 8.795 1.00 0.00 C ATOM 1509 O ILE A 104 95.693 1.581 9.885 1.00 0.00 O ATOM 1510 CB ILE A 104 96.708 -1.204 8.379 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.426 -2.706 8.297 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.704 -0.934 9.508 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.625 -3.417 7.665 1.00 0.00 C ATOM 0 H ILE A 104 95.009 -1.228 6.705 1.00 0.00 H new ATOM 0 HA ILE A 104 94.935 -0.786 9.583 1.00 0.00 H new ATOM 0 HB ILE A 104 97.129 -0.860 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.236 -3.106 9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.529 -2.887 7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.633 -1.468 9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.906 0.136 9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.284 -1.277 10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.424 -4.487 7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.794 -3.024 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.512 -3.247 8.275 1.00 0.00 H new ATOM 1525 N CYS A 105 95.854 1.728 7.699 1.00 0.00 N ATOM 1526 CA CYS A 105 96.110 3.194 7.769 1.00 0.00 C ATOM 1527 C CYS A 105 94.872 3.897 8.333 1.00 0.00 C ATOM 1528 O CYS A 105 94.968 4.764 9.177 1.00 0.00 O ATOM 1529 CB CYS A 105 96.365 3.615 6.320 1.00 0.00 C ATOM 1530 SG CYS A 105 97.309 5.162 6.289 1.00 0.00 S ATOM 0 H CYS A 105 95.843 1.334 6.758 1.00 0.00 H new ATOM 0 HA CYS A 105 96.950 3.452 8.415 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.913 2.833 5.795 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.418 3.746 5.797 1.00 0.00 H new ATOM 1535 N PHE A 106 93.705 3.515 7.879 1.00 0.00 N ATOM 1536 CA PHE A 106 92.462 4.142 8.391 1.00 0.00 C ATOM 1537 C PHE A 106 92.406 4.009 9.911 1.00 0.00 C ATOM 1538 O PHE A 106 92.034 4.926 10.615 1.00 0.00 O ATOM 1539 CB PHE A 106 91.319 3.351 7.749 1.00 0.00 C ATOM 1540 CG PHE A 106 91.383 3.470 6.243 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.017 4.567 5.644 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.798 2.480 5.442 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.066 4.670 4.248 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.848 2.584 4.047 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.482 3.680 3.451 1.00 0.00 C ATOM 0 H PHE A 106 93.565 2.792 7.173 1.00 0.00 H new ATOM 0 HA PHE A 106 92.405 5.204 8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.383 2.303 8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.361 3.724 8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.468 5.332 6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.307 1.635 5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.555 5.515 3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.398 1.819 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.520 3.761 2.375 1.00 0.00 H new ATOM 1555 N SER A 107 92.775 2.866 10.420 1.00 0.00 N ATOM 1556 CA SER A 107 92.746 2.664 11.896 1.00 0.00 C ATOM 1557 C SER A 107 93.991 3.284 12.534 1.00 0.00 C ATOM 1558 O SER A 107 94.117 3.350 13.741 1.00 0.00 O ATOM 1559 CB SER A 107 92.737 1.147 12.093 1.00 0.00 C ATOM 1560 OG SER A 107 94.031 0.716 12.498 1.00 0.00 O ATOM 0 H SER A 107 93.095 2.063 9.878 1.00 0.00 H new ATOM 0 HA SER A 107 91.881 3.136 12.361 1.00 0.00 H new ATOM 0 HB2 SER A 107 91.998 0.871 12.845 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.450 0.650 11.166 1.00 0.00 H new ATOM 0 HG SER A 107 94.669 0.868 11.770 1.00 0.00 H new ATOM 1566 N LYS A 108 94.911 3.746 11.730 1.00 0.00 N ATOM 1567 CA LYS A 108 96.146 4.369 12.287 1.00 0.00 C ATOM 1568 C LYS A 108 96.020 5.895 12.262 1.00 0.00 C ATOM 1569 O LYS A 108 96.928 6.609 12.638 1.00 0.00 O ATOM 1570 CB LYS A 108 97.274 3.909 11.364 1.00 0.00 C ATOM 1571 CG LYS A 108 97.705 2.492 11.748 1.00 0.00 C ATOM 1572 CD LYS A 108 99.184 2.496 12.138 1.00 0.00 C ATOM 1573 CE LYS A 108 99.758 1.087 11.974 1.00 0.00 C ATOM 1574 NZ LYS A 108 98.826 0.203 12.728 1.00 0.00 N ATOM 0 H LYS A 108 94.860 3.719 10.712 1.00 0.00 H new ATOM 0 HA LYS A 108 96.326 4.080 13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 108 96.940 3.930 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.121 4.591 11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.100 2.129 12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.540 1.811 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.734 3.199 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.298 2.829 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 108 99.810 0.802 10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.771 1.024 12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 99.333 -0.649 13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 98.458 0.713 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 98.035 -0.073 12.112 1.00 0.00 H new ATOM 1588 N VAL A 109 94.899 6.398 11.820 1.00 0.00 N ATOM 1589 CA VAL A 109 94.711 7.876 11.767 1.00 0.00 C ATOM 1590 C VAL A 109 93.249 8.231 12.051 1.00 0.00 C ATOM 1591 O VAL A 109 92.358 7.442 11.802 1.00 0.00 O ATOM 1592 CB VAL A 109 95.097 8.269 10.342 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.478 7.698 10.012 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.067 7.705 9.360 1.00 0.00 C ATOM 0 H VAL A 109 94.104 5.848 11.493 1.00 0.00 H new ATOM 0 HA VAL A 109 95.312 8.400 12.510 1.00 0.00 H new ATOM 0 HB VAL A 109 95.122 9.356 10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.754 7.978 8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.213 8.097 10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.452 6.611 10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.342 7.985 8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.042 6.618 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.082 8.109 9.594 1.00 0.00 H new ATOM 1604 N PRO A 110 93.051 9.412 12.570 1.00 0.00 N ATOM 1605 CA PRO A 110 91.682 9.882 12.899 1.00 0.00 C ATOM 1606 C PRO A 110 90.916 10.242 11.623 1.00 0.00 C ATOM 1607 O PRO A 110 91.494 10.433 10.572 1.00 0.00 O ATOM 1608 CB PRO A 110 91.925 11.122 13.752 1.00 0.00 C ATOM 1609 CG PRO A 110 93.281 11.612 13.351 1.00 0.00 C ATOM 1610 CD PRO A 110 94.073 10.412 12.896 1.00 0.00 C ATOM 0 HA PRO A 110 91.083 9.128 13.410 1.00 0.00 H new ATOM 0 HB2 PRO A 110 91.163 11.880 13.572 1.00 0.00 H new ATOM 0 HB3 PRO A 110 91.891 10.882 14.815 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.203 12.347 12.550 1.00 0.00 H new ATOM 0 HG3 PRO A 110 93.775 12.104 14.189 1.00 0.00 H new ATOM 0 HD2 PRO A 110 94.691 10.647 12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 110 94.743 10.057 13.679 1.00 0.00 H new ATOM 1618 N TYR A 111 89.617 10.337 11.709 1.00 0.00 N ATOM 1619 CA TYR A 111 88.812 10.686 10.502 1.00 0.00 C ATOM 1620 C TYR A 111 88.210 12.087 10.658 1.00 0.00 C ATOM 1621 O TYR A 111 87.173 12.263 11.265 1.00 0.00 O ATOM 1622 CB TYR A 111 87.706 9.632 10.444 1.00 0.00 C ATOM 1623 CG TYR A 111 86.664 10.050 9.435 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.024 10.240 8.096 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.338 10.249 9.838 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.059 10.628 7.159 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.373 10.637 8.901 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.734 10.827 7.562 1.00 0.00 C ATOM 1629 OH TYR A 111 83.783 11.211 6.639 1.00 0.00 O ATOM 0 H TYR A 111 89.078 10.188 12.562 1.00 0.00 H new ATOM 0 HA TYR A 111 89.413 10.696 9.593 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.126 8.664 10.170 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.249 9.514 11.427 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.047 10.087 7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.060 10.103 10.871 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.337 10.774 6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.350 10.790 9.211 1.00 0.00 H new ATOM 0 HH TYR A 111 83.920 10.718 5.803 1.00 0.00 H new ATOM 1639 N ASN A 112 88.855 13.083 10.115 1.00 0.00 N ATOM 1640 CA ASN A 112 88.321 14.472 10.234 1.00 0.00 C ATOM 1641 C ASN A 112 86.984 14.593 9.498 1.00 0.00 C ATOM 1642 O ASN A 112 86.932 14.976 8.347 1.00 0.00 O ATOM 1643 CB ASN A 112 89.379 15.360 9.579 1.00 0.00 C ATOM 1644 CG ASN A 112 90.735 15.109 10.241 1.00 0.00 C ATOM 1645 OD1 ASN A 112 91.529 14.199 9.748 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 91.076 15.749 11.216 1.00 0.00 N flip ATOM 0 H ASN A 112 89.728 12.997 9.594 1.00 0.00 H new ATOM 0 HA ASN A 112 88.136 14.755 11.270 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.438 15.147 8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 112 89.102 16.409 9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 112 90.455 16.461 11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.983 15.575 11.649 1.00 0.00 H new ATOM 1653 N LYS A 113 85.903 14.271 10.156 1.00 0.00 N ATOM 1654 CA LYS A 113 84.568 14.367 9.496 1.00 0.00 C ATOM 1655 C LYS A 113 84.375 15.758 8.884 1.00 0.00 C ATOM 1656 O LYS A 113 83.612 15.937 7.955 1.00 0.00 O ATOM 1657 CB LYS A 113 83.554 14.130 10.618 1.00 0.00 C ATOM 1658 CG LYS A 113 83.962 14.934 11.854 1.00 0.00 C ATOM 1659 CD LYS A 113 82.721 15.260 12.686 1.00 0.00 C ATOM 1660 CE LYS A 113 83.117 16.148 13.868 1.00 0.00 C ATOM 1661 NZ LYS A 113 82.549 17.488 13.549 1.00 0.00 N ATOM 0 H LYS A 113 85.886 13.945 11.122 1.00 0.00 H new ATOM 0 HA LYS A 113 84.457 13.647 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.558 14.427 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.506 13.069 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.674 14.365 12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.462 15.854 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.979 15.767 12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.260 14.340 13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 113 82.715 15.761 14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 113 84.200 16.195 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 82.779 18.154 14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 82.955 17.833 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 81.516 17.413 13.454 1.00 0.00 H new ATOM 1675 N GLU A 114 85.058 16.742 9.399 1.00 0.00 N ATOM 1676 CA GLU A 114 84.916 18.115 8.852 1.00 0.00 C ATOM 1677 C GLU A 114 85.508 18.185 7.444 1.00 0.00 C ATOM 1678 O GLU A 114 85.240 19.098 6.687 1.00 0.00 O ATOM 1679 CB GLU A 114 85.703 19.007 9.813 1.00 0.00 C ATOM 1680 CG GLU A 114 85.960 20.364 9.158 1.00 0.00 C ATOM 1681 CD GLU A 114 86.512 21.338 10.200 1.00 0.00 C ATOM 1682 OE1 GLU A 114 87.489 20.995 10.844 1.00 0.00 O ATOM 1683 OE2 GLU A 114 85.947 22.411 10.336 1.00 0.00 O ATOM 0 H GLU A 114 85.710 16.651 10.178 1.00 0.00 H new ATOM 0 HA GLU A 114 83.874 18.424 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.147 19.139 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.649 18.532 10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 114 86.668 20.255 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 114 85.036 20.755 8.733 1.00 0.00 H new ATOM 1690 N HIS A 115 86.315 17.224 7.090 1.00 0.00 N ATOM 1691 CA HIS A 115 86.934 17.226 5.735 1.00 0.00 C ATOM 1692 C HIS A 115 86.086 16.396 4.767 1.00 0.00 C ATOM 1693 O HIS A 115 86.479 16.136 3.648 1.00 0.00 O ATOM 1694 CB HIS A 115 88.304 16.582 5.935 1.00 0.00 C ATOM 1695 CG HIS A 115 89.143 17.455 6.828 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.338 17.234 7.467 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 88.768 18.748 7.162 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 90.702 18.370 8.185 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 89.723 19.250 7.967 1.00 0.00 N flip ATOM 0 H HIS A 115 86.573 16.435 7.682 1.00 0.00 H new ATOM 0 HA HIS A 115 87.009 18.227 5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.191 15.592 6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.798 16.446 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 115 87.874 19.258 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.587 18.509 8.789 1.00 0.00 H new ATOM 0 HE2 HIS A 115 89.701 20.190 8.363 1.00 0.00 H new ATOM 1707 N LYS A 116 84.928 15.976 5.194 1.00 0.00 N ATOM 1708 CA LYS A 116 84.057 15.162 4.313 1.00 0.00 C ATOM 1709 C LYS A 116 83.483 16.018 3.181 1.00 0.00 C ATOM 1710 O LYS A 116 83.349 17.220 3.304 1.00 0.00 O ATOM 1711 CB LYS A 116 82.947 14.682 5.242 1.00 0.00 C ATOM 1712 CG LYS A 116 82.446 13.320 4.779 1.00 0.00 C ATOM 1713 CD LYS A 116 81.209 12.929 5.591 1.00 0.00 C ATOM 1714 CE LYS A 116 81.067 11.404 5.608 1.00 0.00 C ATOM 1715 NZ LYS A 116 81.011 11.038 7.051 1.00 0.00 N ATOM 0 H LYS A 116 84.549 16.165 6.122 1.00 0.00 H new ATOM 0 HA LYS A 116 84.590 14.341 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.318 14.616 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.127 15.400 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.202 13.352 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.228 12.571 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.295 13.308 6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.318 13.383 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.165 11.086 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.910 10.924 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 80.570 10.102 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 81.975 11.011 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 80.449 11.745 7.567 1.00 0.00 H new ATOM 1729 N ASN A 117 83.138 15.407 2.081 1.00 0.00 N ATOM 1730 CA ASN A 117 82.567 16.181 0.942 1.00 0.00 C ATOM 1731 C ASN A 117 83.397 17.443 0.687 1.00 0.00 C ATOM 1732 O ASN A 117 82.919 18.550 0.831 1.00 0.00 O ATOM 1733 CB ASN A 117 81.152 16.550 1.388 1.00 0.00 C ATOM 1734 CG ASN A 117 80.189 15.425 1.007 1.00 0.00 C ATOM 1735 OD1 ASN A 117 79.218 15.650 0.311 1.00 0.00 O ATOM 1736 ND2 ASN A 117 80.418 14.215 1.436 1.00 0.00 N ATOM 0 H ASN A 117 83.227 14.404 1.921 1.00 0.00 H new ATOM 0 HA ASN A 117 82.568 15.611 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.130 16.713 2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.842 17.483 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.782 13.457 1.188 1.00 0.00 H new ATOM 0 HD22 ASN A 117 81.233 14.027 2.020 1.00 0.00 H new ATOM 1743 N LEU A 118 84.636 17.282 0.310 1.00 0.00 N ATOM 1744 CA LEU A 118 85.497 18.438 0.045 1.00 0.00 C ATOM 1745 C LEU A 118 85.232 18.959 -1.372 1.00 0.00 C ATOM 1746 O LEU A 118 84.516 18.352 -2.145 1.00 0.00 O ATOM 1747 CB LEU A 118 86.896 17.843 0.194 1.00 0.00 C ATOM 1748 CG LEU A 118 87.918 18.614 -0.626 1.00 0.00 C ATOM 1749 CD1 LEU A 118 88.260 19.935 0.069 1.00 0.00 C ATOM 1750 CD2 LEU A 118 89.189 17.775 -0.764 1.00 0.00 C ATOM 0 H LEU A 118 85.084 16.375 0.176 1.00 0.00 H new ATOM 0 HA LEU A 118 85.339 19.292 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 118 87.187 17.854 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.885 16.800 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 118 87.501 18.825 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.993 20.480 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 118 87.357 20.536 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.674 19.730 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.925 18.324 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.596 17.566 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.953 16.836 -1.264 1.00 0.00 H new ATOM 1762 N ASP A 119 85.803 20.071 -1.711 1.00 0.00 N ATOM 1763 CA ASP A 119 85.595 20.640 -3.075 1.00 0.00 C ATOM 1764 C ASP A 119 86.738 20.222 -4.005 1.00 0.00 C ATOM 1765 O ASP A 119 87.888 20.534 -3.769 1.00 0.00 O ATOM 1766 CB ASP A 119 85.594 22.155 -2.879 1.00 0.00 C ATOM 1767 CG ASP A 119 85.164 22.839 -4.179 1.00 0.00 C ATOM 1768 OD1 ASP A 119 85.325 22.234 -5.225 1.00 0.00 O ATOM 1769 OD2 ASP A 119 84.680 23.957 -4.104 1.00 0.00 O ATOM 0 H ASP A 119 86.411 20.620 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 119 84.670 20.287 -3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.915 22.427 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 119 86.588 22.495 -2.588 1.00 0.00 H new ATOM 1774 N LYS A 120 86.430 19.521 -5.061 1.00 0.00 N ATOM 1775 CA LYS A 120 87.497 19.087 -6.004 1.00 0.00 C ATOM 1776 C LYS A 120 88.356 20.286 -6.413 1.00 0.00 C ATOM 1777 O LYS A 120 89.478 20.138 -6.858 1.00 0.00 O ATOM 1778 CB LYS A 120 86.753 18.522 -7.215 1.00 0.00 C ATOM 1779 CG LYS A 120 86.253 17.111 -6.896 1.00 0.00 C ATOM 1780 CD LYS A 120 84.765 17.007 -7.237 1.00 0.00 C ATOM 1781 CE LYS A 120 84.594 16.265 -8.564 1.00 0.00 C ATOM 1782 NZ LYS A 120 83.369 16.850 -9.178 1.00 0.00 N ATOM 0 H LYS A 120 85.485 19.230 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 120 88.167 18.351 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.913 19.167 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.413 18.498 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.820 16.375 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 120 86.412 16.887 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.235 16.480 -6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 120 84.327 18.003 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.463 16.403 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.482 15.192 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 83.186 16.391 -10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 82.557 16.698 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 83.507 17.870 -9.324 1.00 0.00 H new ATOM 1796 N LYS A 121 87.833 21.472 -6.271 1.00 0.00 N ATOM 1797 CA LYS A 121 88.608 22.688 -6.653 1.00 0.00 C ATOM 1798 C LYS A 121 89.861 22.816 -5.796 1.00 0.00 C ATOM 1799 O LYS A 121 90.781 23.540 -6.116 1.00 0.00 O ATOM 1800 CB LYS A 121 87.665 23.846 -6.376 1.00 0.00 C ATOM 1801 CG LYS A 121 86.912 24.200 -7.653 1.00 0.00 C ATOM 1802 CD LYS A 121 87.903 24.693 -8.710 1.00 0.00 C ATOM 1803 CE LYS A 121 87.692 26.189 -8.949 1.00 0.00 C ATOM 1804 NZ LYS A 121 88.038 26.399 -10.381 1.00 0.00 N ATOM 0 H LYS A 121 86.898 21.653 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 121 88.938 22.656 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.961 23.576 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 121 88.226 24.710 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.373 23.328 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 121 86.169 24.971 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 121 88.925 24.507 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 121 87.763 24.142 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 121 86.662 26.481 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 121 88.328 26.787 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 87.918 27.403 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 89.026 26.119 -10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 87.412 25.822 -10.978 1.00 0.00 H new ATOM 1818 N ASN A 122 89.906 22.093 -4.727 1.00 0.00 N ATOM 1819 CA ASN A 122 91.102 22.128 -3.845 1.00 0.00 C ATOM 1820 C ASN A 122 92.020 20.985 -4.244 1.00 0.00 C ATOM 1821 O ASN A 122 93.139 20.859 -3.785 1.00 0.00 O ATOM 1822 CB ASN A 122 90.560 21.902 -2.440 1.00 0.00 C ATOM 1823 CG ASN A 122 90.253 23.246 -1.779 1.00 0.00 C ATOM 1824 OD1 ASN A 122 91.144 24.039 -1.548 1.00 0.00 O ATOM 1825 ND2 ASN A 122 89.021 23.538 -1.465 1.00 0.00 N ATOM 0 H ASN A 122 89.160 21.470 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 122 91.663 23.060 -3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 122 89.657 21.293 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 122 91.288 21.351 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 122 88.805 24.433 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 122 88.274 22.872 -1.659 1.00 0.00 H new ATOM 1832 N CYS A 123 91.523 20.148 -5.098 1.00 0.00 N ATOM 1833 CA CYS A 123 92.296 18.979 -5.571 1.00 0.00 C ATOM 1834 C CYS A 123 93.009 19.300 -6.888 1.00 0.00 C ATOM 1835 O CYS A 123 93.899 18.550 -7.255 1.00 0.00 O ATOM 1836 CB CYS A 123 91.224 17.916 -5.774 1.00 0.00 C ATOM 1837 SG CYS A 123 91.036 16.947 -4.258 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.654 20.291 -7.505 1.00 0.00 O ATOM 0 H CYS A 123 90.588 20.228 -5.498 1.00 0.00 H new ATOM 0 HA CYS A 123 93.078 18.668 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.276 18.386 -6.037 1.00 0.00 H new ATOM 0 HB3 CYS A 123 91.497 17.263 -6.603 1.00 0.00 H new TER 1843 CYS A 123