USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 819 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 74 SER OG : rot 140:sc= 1.06 USER MOD Set 1.2: A 85 SER OG : rot 130:sc= 1.08 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -0.787 K(o=0.12,f=-5.1!) USER MOD Set 2.2: A 52 TYR OH : rot -22:sc= 0.903 USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 46 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.6!) USER MOD Set 4.1: A 24 ASN : amide:sc= -1.04 K(o=-1.3,f=-6.7!) USER MOD Set 4.2: A 117 ASN :FLIP amide:sc= -0.23 F(o=-2,f=-1.3) USER MOD Set 5.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 107 SER OG : rot -32:sc= 0.84 USER MOD Set 7.1: A 8 MET CE :methyl -176:sc= 0 (180deg=-0.00696) USER MOD Set 7.2: A 73 TYR OH : rot -90:sc= -0.952 USER MOD Single : A 4 GLN : amide:sc= -2.15 K(o=-2.1,f=-3.8!) USER MOD Single : A 6 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.74) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.6!) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 89:sc= 0.567 USER MOD Single : A 50 ASN : amide:sc= -0.256 K(o=-0.26,f=-2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.98,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 120:sc= -0.643 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.51 USER MOD Single : A 71 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.9!) USER MOD Single : A 72 ASN : amide:sc= -0.379 K(o=-0.38,f=-3.5!) USER MOD Single : A 75 TYR OH : rot 142:sc= -1.08 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.386 K(o=-0.39,f=-2.6!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.318 F(o=-1.3!,f=-0.32) 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 88 ASN : amide:sc= -0.803 K(o=-0.8,f=-5.3!) USER MOD Single : A 89 ASN : amide:sc= -0.757! C(o=-0.76!,f=-15!) USER MOD Single : A 97 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.3!) USER MOD Single : A 101 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.856 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.101 F(o=-1.2,f=-0.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc= -0.354 F(o=-1.4,f=-0.35) USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= -0.0356 (180deg=-0.42) 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 :FLIP amide:sc= -1.53! C(o=-2.1!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 85.302 -5.035 -4.674 1.00 0.00 N ATOM 14 CA LEU A 2 85.881 -4.027 -3.741 1.00 0.00 C ATOM 15 C LEU A 2 85.215 -4.132 -2.366 1.00 0.00 C ATOM 16 O LEU A 2 85.575 -3.434 -1.439 1.00 0.00 O ATOM 17 CB LEU A 2 85.577 -2.672 -4.381 1.00 0.00 C ATOM 18 CG LEU A 2 86.870 -1.866 -4.514 1.00 0.00 C ATOM 19 CD1 LEU A 2 87.562 -1.775 -3.153 1.00 0.00 C ATOM 20 CD2 LEU A 2 87.800 -2.556 -5.513 1.00 0.00 C ATOM 0 HA LEU A 2 86.950 -4.175 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 2 85.123 -2.815 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 2 84.856 -2.125 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 2 86.635 -0.862 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 2 88.483 -1.200 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 2 86.900 -1.282 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 2 87.796 -2.778 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 2 88.722 -1.982 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 2 88.033 -3.560 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 2 87.309 -2.618 -6.484 1.00 0.00 H new ATOM 32 N TRP A 3 84.248 -4.998 -2.224 1.00 0.00 N ATOM 33 CA TRP A 3 83.568 -5.137 -0.905 1.00 0.00 C ATOM 34 C TRP A 3 84.500 -5.828 0.096 1.00 0.00 C ATOM 35 O TRP A 3 84.320 -5.729 1.294 1.00 0.00 O ATOM 36 CB TRP A 3 82.323 -5.989 -1.183 1.00 0.00 C ATOM 37 CG TRP A 3 82.700 -7.435 -1.288 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.339 -8.000 -2.339 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.470 -8.504 -0.325 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.514 -9.348 -2.082 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.996 -9.707 -0.855 1.00 0.00 C ATOM 42 CE3 TRP A 3 81.864 -8.547 0.942 1.00 0.00 C ATOM 43 CZ2 TRP A 3 82.923 -10.909 -0.151 1.00 0.00 C ATOM 44 CZ3 TRP A 3 81.787 -9.756 1.653 1.00 0.00 C ATOM 45 CH2 TRP A 3 82.317 -10.934 1.107 1.00 0.00 C ATOM 0 H TRP A 3 83.901 -5.612 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 3 83.301 -4.174 -0.469 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.594 -5.853 -0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.848 -5.661 -2.108 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.660 -7.483 -3.232 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.971 -9.998 -2.722 1.00 0.00 H new ATOM 0 HE3 TRP A 3 81.455 -7.645 1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.332 -11.814 -0.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 81.317 -9.778 2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 3 82.257 -11.860 1.659 1.00 0.00 H new ATOM 56 N GLN A 4 85.496 -6.520 -0.385 1.00 0.00 N ATOM 57 CA GLN A 4 86.442 -7.207 0.540 1.00 0.00 C ATOM 58 C GLN A 4 87.204 -6.169 1.368 1.00 0.00 C ATOM 59 O GLN A 4 87.399 -6.328 2.557 1.00 0.00 O ATOM 60 CB GLN A 4 87.400 -7.978 -0.369 1.00 0.00 C ATOM 61 CG GLN A 4 86.613 -8.998 -1.195 1.00 0.00 C ATOM 62 CD GLN A 4 86.584 -10.338 -0.459 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.349 -11.231 -0.767 1.00 0.00 O ATOM 64 NE2 GLN A 4 85.728 -10.519 0.508 1.00 0.00 N ATOM 0 H GLN A 4 85.696 -6.640 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 4 85.932 -7.868 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.926 -7.288 -1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.157 -8.485 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.597 -8.641 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 4 87.073 -9.120 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 4 85.086 -9.770 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 4 85.701 -11.409 1.005 1.00 0.00 H new ATOM 73 N PHE A 5 87.630 -5.102 0.747 1.00 0.00 N ATOM 74 CA PHE A 5 88.373 -4.048 1.493 1.00 0.00 C ATOM 75 C PHE A 5 87.491 -3.470 2.602 1.00 0.00 C ATOM 76 O PHE A 5 87.892 -3.378 3.745 1.00 0.00 O ATOM 77 CB PHE A 5 88.691 -2.980 0.447 1.00 0.00 C ATOM 78 CG PHE A 5 89.379 -1.809 1.108 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.213 -2.018 2.212 1.00 0.00 C ATOM 80 CD2 PHE A 5 89.186 -0.514 0.612 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.854 -0.934 2.822 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.828 0.571 1.220 1.00 0.00 C ATOM 83 CZ PHE A 5 90.662 0.361 2.325 1.00 0.00 C ATOM 0 H PHE A 5 87.495 -4.915 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 5 89.274 -4.432 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 5 89.330 -3.398 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.773 -2.648 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.362 -3.017 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.542 -0.352 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.496 -1.096 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.680 1.570 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.157 1.198 2.794 1.00 0.00 H new ATOM 93 N ASN A 6 86.290 -3.081 2.271 1.00 0.00 N ATOM 94 CA ASN A 6 85.380 -2.511 3.305 1.00 0.00 C ATOM 95 C ASN A 6 85.401 -3.386 4.562 1.00 0.00 C ATOM 96 O ASN A 6 85.513 -2.897 5.668 1.00 0.00 O ATOM 97 CB ASN A 6 83.993 -2.524 2.665 1.00 0.00 C ATOM 98 CG ASN A 6 83.752 -1.200 1.938 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.632 -0.689 1.274 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.587 -0.619 2.034 1.00 0.00 N ATOM 0 H ASN A 6 85.900 -3.133 1.330 1.00 0.00 H new ATOM 0 HA ASN A 6 85.676 -1.507 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.912 -3.355 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.230 -2.675 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.416 0.263 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.848 -1.047 2.591 1.00 0.00 H new ATOM 107 N GLY A 7 85.294 -4.677 4.399 1.00 0.00 N ATOM 108 CA GLY A 7 85.308 -5.578 5.585 1.00 0.00 C ATOM 109 C GLY A 7 86.554 -5.290 6.424 1.00 0.00 C ATOM 110 O GLY A 7 86.484 -5.157 7.630 1.00 0.00 O ATOM 0 H GLY A 7 85.198 -5.145 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.410 -5.425 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.304 -6.620 5.265 1.00 0.00 H new ATOM 114 N MET A 8 87.693 -5.191 5.795 1.00 0.00 N ATOM 115 CA MET A 8 88.943 -4.909 6.557 1.00 0.00 C ATOM 116 C MET A 8 88.768 -3.648 7.409 1.00 0.00 C ATOM 117 O MET A 8 89.016 -3.653 8.599 1.00 0.00 O ATOM 118 CB MET A 8 90.016 -4.690 5.490 1.00 0.00 C ATOM 119 CG MET A 8 90.346 -6.023 4.817 1.00 0.00 C ATOM 120 SD MET A 8 91.891 -5.867 3.887 1.00 0.00 S ATOM 121 CE MET A 8 91.879 -7.517 3.145 1.00 0.00 C ATOM 0 H MET A 8 87.812 -5.293 4.787 1.00 0.00 H new ATOM 0 HA MET A 8 89.205 -5.719 7.238 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.665 -3.973 4.748 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.913 -4.267 5.943 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.439 -6.808 5.568 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.536 -6.315 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.796 -7.666 2.575 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.814 -8.269 3.931 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.020 -7.611 2.481 1.00 0.00 H new ATOM 131 N ILE A 9 88.346 -2.567 6.811 1.00 0.00 N ATOM 132 CA ILE A 9 88.158 -1.310 7.591 1.00 0.00 C ATOM 133 C ILE A 9 87.332 -1.586 8.849 1.00 0.00 C ATOM 134 O ILE A 9 87.542 -0.987 9.885 1.00 0.00 O ATOM 135 CB ILE A 9 87.404 -0.366 6.655 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.305 0.012 5.477 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.009 0.899 7.419 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.621 1.095 4.641 1.00 0.00 C ATOM 0 H ILE A 9 88.124 -2.500 5.818 1.00 0.00 H new ATOM 0 HA ILE A 9 89.107 -0.886 7.919 1.00 0.00 H new ATOM 0 HB ILE A 9 86.508 -0.862 6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.267 0.372 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.505 -0.865 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.471 1.573 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.368 0.631 8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 9 87.906 1.395 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.262 1.365 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.670 0.718 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.443 1.975 5.260 1.00 0.00 H new ATOM 150 N LYS A 10 86.390 -2.487 8.767 1.00 0.00 N ATOM 151 CA LYS A 10 85.551 -2.797 9.960 1.00 0.00 C ATOM 152 C LYS A 10 86.342 -3.638 10.965 1.00 0.00 C ATOM 153 O LYS A 10 86.154 -3.531 12.160 1.00 0.00 O ATOM 154 CB LYS A 10 84.363 -3.588 9.415 1.00 0.00 C ATOM 155 CG LYS A 10 83.233 -2.626 9.043 1.00 0.00 C ATOM 156 CD LYS A 10 81.883 -3.281 9.340 1.00 0.00 C ATOM 157 CE LYS A 10 80.873 -2.880 8.263 1.00 0.00 C ATOM 158 NZ LYS A 10 79.602 -3.544 8.662 1.00 0.00 N ATOM 0 H LYS A 10 86.166 -3.021 7.927 1.00 0.00 H new ATOM 0 HA LYS A 10 85.234 -1.896 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.667 -4.164 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.015 -4.302 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.331 -1.699 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.297 -2.365 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.991 -4.365 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.525 -2.972 10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 10 80.755 -1.797 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 81.197 -3.209 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 78.859 -3.316 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 79.743 -4.574 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.314 -3.207 9.603 1.00 0.00 H new ATOM 172 N CYS A 11 87.223 -4.477 10.492 1.00 0.00 N ATOM 173 CA CYS A 11 88.017 -5.321 11.419 1.00 0.00 C ATOM 174 C CYS A 11 88.953 -4.449 12.255 1.00 0.00 C ATOM 175 O CYS A 11 88.990 -4.538 13.466 1.00 0.00 O ATOM 176 CB CYS A 11 88.820 -6.255 10.514 1.00 0.00 C ATOM 177 SG CYS A 11 89.651 -7.507 11.524 1.00 0.00 S ATOM 0 H CYS A 11 87.425 -4.612 9.501 1.00 0.00 H new ATOM 0 HA CYS A 11 87.388 -5.872 12.118 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.160 -6.735 9.791 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.555 -5.685 9.945 1.00 0.00 H new ATOM 182 N LYS A 12 89.708 -3.604 11.612 1.00 0.00 N ATOM 183 CA LYS A 12 90.646 -2.719 12.361 1.00 0.00 C ATOM 184 C LYS A 12 89.861 -1.690 13.181 1.00 0.00 C ATOM 185 O LYS A 12 90.278 -1.283 14.247 1.00 0.00 O ATOM 186 CB LYS A 12 91.479 -2.025 11.282 1.00 0.00 C ATOM 187 CG LYS A 12 92.550 -2.989 10.766 1.00 0.00 C ATOM 188 CD LYS A 12 93.924 -2.539 11.265 1.00 0.00 C ATOM 189 CE LYS A 12 94.220 -3.197 12.615 1.00 0.00 C ATOM 190 NZ LYS A 12 95.492 -2.572 13.076 1.00 0.00 N ATOM 0 H LYS A 12 89.717 -3.487 10.599 1.00 0.00 H new ATOM 0 HA LYS A 12 91.269 -3.274 13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.837 -1.705 10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.947 -1.129 11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.340 -4.001 11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.537 -3.014 9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.692 -2.810 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.949 -1.454 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.413 -3.020 13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.325 -4.277 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.761 -2.972 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.244 -2.762 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.360 -1.545 13.170 1.00 0.00 H new ATOM 204 N ILE A 13 88.726 -1.269 12.693 1.00 0.00 N ATOM 205 CA ILE A 13 87.913 -0.270 13.445 1.00 0.00 C ATOM 206 C ILE A 13 86.441 -0.691 13.457 1.00 0.00 C ATOM 207 O ILE A 13 85.684 -0.338 12.575 1.00 0.00 O ATOM 208 CB ILE A 13 88.090 1.042 12.682 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.579 1.379 12.585 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.363 2.165 13.425 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.798 2.415 11.481 1.00 0.00 C ATOM 0 H ILE A 13 88.326 -1.574 11.806 1.00 0.00 H new ATOM 0 HA ILE A 13 88.227 -0.180 14.485 1.00 0.00 H new ATOM 0 HB ILE A 13 87.674 0.938 11.680 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.938 1.767 13.538 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.153 0.478 12.371 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.489 3.102 12.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.302 1.926 13.497 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.780 2.268 14.427 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.859 2.655 11.412 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.455 2.010 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.236 3.319 11.714 1.00 0.00 H new ATOM 223 N PRO A 14 86.089 -1.440 14.466 1.00 0.00 N ATOM 224 CA PRO A 14 84.695 -1.927 14.607 1.00 0.00 C ATOM 225 C PRO A 14 83.766 -0.790 15.045 1.00 0.00 C ATOM 226 O PRO A 14 82.561 -0.881 14.921 1.00 0.00 O ATOM 227 CB PRO A 14 84.797 -2.991 15.693 1.00 0.00 C ATOM 228 CG PRO A 14 86.010 -2.625 16.488 1.00 0.00 C ATOM 229 CD PRO A 14 86.950 -1.900 15.560 1.00 0.00 C ATOM 0 HA PRO A 14 84.282 -2.311 13.674 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.905 -3.002 16.319 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.895 -3.987 15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.739 -1.992 17.333 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.485 -3.517 16.897 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.439 -1.064 16.061 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.738 -2.559 15.197 1.00 0.00 H new ATOM 237 N SER A 15 84.315 0.273 15.560 1.00 0.00 N ATOM 238 CA SER A 15 83.460 1.410 16.012 1.00 0.00 C ATOM 239 C SER A 15 83.120 2.334 14.839 1.00 0.00 C ATOM 240 O SER A 15 82.287 3.211 14.952 1.00 0.00 O ATOM 241 CB SER A 15 84.303 2.154 17.046 1.00 0.00 C ATOM 242 OG SER A 15 85.465 2.677 16.415 1.00 0.00 O ATOM 0 H SER A 15 85.318 0.406 15.689 1.00 0.00 H new ATOM 0 HA SER A 15 82.512 1.065 16.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.723 2.962 17.492 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.586 1.480 17.855 1.00 0.00 H new ATOM 0 HG SER A 15 86.008 3.157 17.075 1.00 0.00 H new ATOM 248 N SER A 16 83.756 2.153 13.713 1.00 0.00 N ATOM 249 CA SER A 16 83.461 3.031 12.545 1.00 0.00 C ATOM 250 C SER A 16 82.928 2.203 11.372 1.00 0.00 C ATOM 251 O SER A 16 82.830 0.993 11.445 1.00 0.00 O ATOM 252 CB SER A 16 84.799 3.672 12.179 1.00 0.00 C ATOM 253 OG SER A 16 85.152 4.624 13.175 1.00 0.00 O ATOM 0 H SER A 16 84.465 1.437 13.552 1.00 0.00 H new ATOM 0 HA SER A 16 82.700 3.776 12.778 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.572 2.908 12.100 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.729 4.156 11.205 1.00 0.00 H new ATOM 0 HG SER A 16 86.011 5.036 12.944 1.00 0.00 H new ATOM 259 N GLU A 17 82.584 2.847 10.290 1.00 0.00 N ATOM 260 CA GLU A 17 82.058 2.102 9.112 1.00 0.00 C ATOM 261 C GLU A 17 82.784 2.550 7.839 1.00 0.00 C ATOM 262 O GLU A 17 83.140 3.703 7.700 1.00 0.00 O ATOM 263 CB GLU A 17 80.577 2.470 9.044 1.00 0.00 C ATOM 264 CG GLU A 17 79.782 1.557 9.978 1.00 0.00 C ATOM 265 CD GLU A 17 79.057 0.491 9.156 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.632 0.026 8.185 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.938 0.156 9.510 1.00 0.00 O ATOM 0 H GLU A 17 82.645 3.858 10.171 1.00 0.00 H new ATOM 0 HA GLU A 17 82.207 1.026 9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 17 80.437 3.512 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 17 80.213 2.369 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.451 1.084 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 17 79.062 2.142 10.550 1.00 0.00 H new ATOM 274 N PRO A 18 82.980 1.613 6.952 1.00 0.00 N ATOM 275 CA PRO A 18 83.675 1.905 5.674 1.00 0.00 C ATOM 276 C PRO A 18 82.762 2.693 4.727 1.00 0.00 C ATOM 277 O PRO A 18 83.223 3.374 3.832 1.00 0.00 O ATOM 278 CB PRO A 18 83.979 0.521 5.109 1.00 0.00 C ATOM 279 CG PRO A 18 82.957 -0.383 5.722 1.00 0.00 C ATOM 280 CD PRO A 18 82.579 0.207 7.056 1.00 0.00 C ATOM 0 HA PRO A 18 84.569 2.515 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.909 0.515 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.990 0.204 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.082 -0.467 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.359 -1.389 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.510 0.110 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.095 -0.295 7.874 1.00 0.00 H new ATOM 288 N LEU A 19 81.473 2.605 4.913 1.00 0.00 N ATOM 289 CA LEU A 19 80.540 3.348 4.017 1.00 0.00 C ATOM 290 C LEU A 19 80.111 4.666 4.667 1.00 0.00 C ATOM 291 O LEU A 19 79.616 5.560 4.010 1.00 0.00 O ATOM 292 CB LEU A 19 79.335 2.423 3.841 1.00 0.00 C ATOM 293 CG LEU A 19 79.590 1.462 2.678 1.00 0.00 C ATOM 294 CD1 LEU A 19 79.001 0.090 3.013 1.00 0.00 C ATOM 295 CD2 LEU A 19 78.923 2.007 1.413 1.00 0.00 C ATOM 0 H LEU A 19 81.026 2.052 5.645 1.00 0.00 H new ATOM 0 HA LEU A 19 81.004 3.601 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.158 1.861 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.437 3.011 3.650 1.00 0.00 H new ATOM 0 HG LEU A 19 80.663 1.367 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.182 -0.596 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 19 79.473 -0.298 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.928 0.185 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.104 1.324 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.850 2.101 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.340 2.985 1.175 1.00 0.00 H new ATOM 307 N LEU A 20 80.290 4.792 5.953 1.00 0.00 N ATOM 308 CA LEU A 20 79.884 6.051 6.641 1.00 0.00 C ATOM 309 C LEU A 20 81.121 6.839 7.082 1.00 0.00 C ATOM 310 O LEU A 20 81.035 7.996 7.442 1.00 0.00 O ATOM 311 CB LEU A 20 79.077 5.599 7.860 1.00 0.00 C ATOM 312 CG LEU A 20 78.128 4.468 7.460 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.304 4.039 8.673 1.00 0.00 C ATOM 314 CD2 LEU A 20 77.190 4.957 6.354 1.00 0.00 C ATOM 0 H LEU A 20 80.699 4.079 6.557 1.00 0.00 H new ATOM 0 HA LEU A 20 79.306 6.705 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.750 5.261 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.509 6.437 8.264 1.00 0.00 H new ATOM 0 HG LEU A 20 78.708 3.619 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.628 3.233 8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.971 3.690 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.724 4.887 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.513 4.152 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.611 5.806 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.777 5.262 5.488 1.00 0.00 H new ATOM 326 N ASP A 21 82.271 6.221 7.060 1.00 0.00 N ATOM 327 CA ASP A 21 83.510 6.939 7.481 1.00 0.00 C ATOM 328 C ASP A 21 84.452 7.120 6.289 1.00 0.00 C ATOM 329 O ASP A 21 84.684 8.221 5.830 1.00 0.00 O ATOM 330 CB ASP A 21 84.149 6.036 8.537 1.00 0.00 C ATOM 331 CG ASP A 21 85.067 6.869 9.434 1.00 0.00 C ATOM 332 OD1 ASP A 21 84.552 7.686 10.179 1.00 0.00 O ATOM 333 OD2 ASP A 21 86.270 6.677 9.359 1.00 0.00 O ATOM 0 H ASP A 21 82.407 5.253 6.770 1.00 0.00 H new ATOM 0 HA ASP A 21 83.297 7.935 7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.375 5.556 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.718 5.241 8.055 1.00 0.00 H new ATOM 338 N PHE A 22 85.001 6.049 5.786 1.00 0.00 N ATOM 339 CA PHE A 22 85.931 6.163 4.626 1.00 0.00 C ATOM 340 C PHE A 22 85.154 6.079 3.310 1.00 0.00 C ATOM 341 O PHE A 22 85.583 5.451 2.362 1.00 0.00 O ATOM 342 CB PHE A 22 86.883 4.974 4.767 1.00 0.00 C ATOM 343 CG PHE A 22 87.370 4.883 6.193 1.00 0.00 C ATOM 344 CD1 PHE A 22 88.420 5.701 6.628 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.773 3.980 7.080 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.872 5.616 7.951 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.225 3.894 8.403 1.00 0.00 C ATOM 348 CZ PHE A 22 88.275 4.713 8.838 1.00 0.00 C ATOM 0 H PHE A 22 84.846 5.100 6.127 1.00 0.00 H new ATOM 0 HA PHE A 22 86.464 7.114 4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 22 86.374 4.052 4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.729 5.090 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.881 6.397 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.963 3.349 6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.681 6.247 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.764 3.197 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.624 4.648 9.858 1.00 0.00 H new ATOM 358 N ASN A 23 84.013 6.709 3.241 1.00 0.00 N ATOM 359 CA ASN A 23 83.213 6.665 1.984 1.00 0.00 C ATOM 360 C ASN A 23 83.260 8.026 1.281 1.00 0.00 C ATOM 361 O ASN A 23 82.744 9.008 1.775 1.00 0.00 O ATOM 362 CB ASN A 23 81.788 6.339 2.432 1.00 0.00 C ATOM 363 CG ASN A 23 81.023 5.694 1.275 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.119 4.501 1.059 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.263 6.435 0.517 1.00 0.00 N ATOM 0 H ASN A 23 83.601 7.252 4.000 1.00 0.00 H new ATOM 0 HA ASN A 23 83.594 5.929 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.810 5.664 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.280 7.248 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.749 6.014 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 23 80.183 7.436 0.698 1.00 0.00 H new ATOM 372 N ASN A 24 83.877 8.092 0.133 1.00 0.00 N ATOM 373 CA ASN A 24 83.957 9.391 -0.596 1.00 0.00 C ATOM 374 C ASN A 24 84.561 10.466 0.311 1.00 0.00 C ATOM 375 O ASN A 24 83.946 11.475 0.591 1.00 0.00 O ATOM 376 CB ASN A 24 82.512 9.737 -0.955 1.00 0.00 C ATOM 377 CG ASN A 24 82.494 10.912 -1.934 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.220 12.032 -1.554 1.00 0.00 O ATOM 379 ND2 ASN A 24 82.776 10.701 -3.191 1.00 0.00 N ATOM 0 H ASN A 24 84.329 7.304 -0.332 1.00 0.00 H new ATOM 0 HA ASN A 24 84.589 9.330 -1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.020 8.872 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.954 9.992 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 24 82.766 11.477 -3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 24 83.006 9.760 -3.511 1.00 0.00 H new ATOM 386 N TYR A 25 85.763 10.253 0.775 1.00 0.00 N ATOM 387 CA TYR A 25 86.411 11.256 1.669 1.00 0.00 C ATOM 388 C TYR A 25 87.754 11.692 1.078 1.00 0.00 C ATOM 389 O TYR A 25 88.328 11.012 0.252 1.00 0.00 O ATOM 390 CB TYR A 25 86.616 10.518 2.994 1.00 0.00 C ATOM 391 CG TYR A 25 87.610 11.266 3.852 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.978 11.204 3.557 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.164 12.012 4.948 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.899 11.892 4.358 1.00 0.00 C ATOM 395 CE2 TYR A 25 88.083 12.698 5.749 1.00 0.00 C ATOM 396 CZ TYR A 25 89.451 12.639 5.455 1.00 0.00 C ATOM 397 OH TYR A 25 90.357 13.314 6.247 1.00 0.00 O ATOM 0 H TYR A 25 86.325 9.426 0.573 1.00 0.00 H new ATOM 0 HA TYR A 25 85.812 12.158 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.666 10.426 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.975 9.506 2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.323 10.626 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.109 12.058 5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.954 11.846 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.737 13.274 6.595 1.00 0.00 H new ATOM 0 HH TYR A 25 91.130 13.579 5.706 1.00 0.00 H new ATOM 407 N GLY A 26 88.260 12.822 1.490 1.00 0.00 N ATOM 408 CA GLY A 26 89.565 13.286 0.944 1.00 0.00 C ATOM 409 C GLY A 26 89.570 13.118 -0.574 1.00 0.00 C ATOM 410 O GLY A 26 88.543 12.923 -1.193 1.00 0.00 O ATOM 0 H GLY A 26 87.829 13.440 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.730 14.331 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.381 12.714 1.387 1.00 0.00 H new ATOM 414 N CYS A 27 90.720 13.200 -1.177 1.00 0.00 N ATOM 415 CA CYS A 27 90.798 13.055 -2.658 1.00 0.00 C ATOM 416 C CYS A 27 91.004 11.588 -3.056 1.00 0.00 C ATOM 417 O CYS A 27 90.789 11.213 -4.191 1.00 0.00 O ATOM 418 CB CYS A 27 92.007 13.894 -3.070 1.00 0.00 C ATOM 419 SG CYS A 27 91.754 15.607 -2.547 1.00 0.00 S ATOM 0 H CYS A 27 91.612 13.361 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 27 89.880 13.381 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.913 13.493 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.144 13.848 -4.150 1.00 0.00 H new ATOM 424 N TYR A 28 91.426 10.755 -2.142 1.00 0.00 N ATOM 425 CA TYR A 28 91.647 9.323 -2.496 1.00 0.00 C ATOM 426 C TYR A 28 90.622 8.420 -1.799 1.00 0.00 C ATOM 427 O TYR A 28 90.031 7.555 -2.414 1.00 0.00 O ATOM 428 CB TYR A 28 93.062 9.012 -2.009 1.00 0.00 C ATOM 429 CG TYR A 28 94.060 9.669 -2.930 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.293 9.135 -4.203 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.751 10.814 -2.514 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.218 9.745 -5.060 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.676 11.423 -3.370 1.00 0.00 C ATOM 434 CZ TYR A 28 95.909 10.888 -4.643 1.00 0.00 C ATOM 435 OH TYR A 28 96.820 11.489 -5.488 1.00 0.00 O ATOM 0 H TYR A 28 91.626 11.002 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 28 91.531 9.145 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 28 93.196 9.374 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.223 7.934 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.760 8.253 -4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.570 11.227 -1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.398 9.333 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 28 96.210 12.305 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 28 97.210 12.271 -5.045 1.00 0.00 H new ATOM 445 N CYS A 29 90.408 8.604 -0.524 1.00 0.00 N ATOM 446 CA CYS A 29 89.422 7.740 0.192 1.00 0.00 C ATOM 447 C CYS A 29 88.098 7.697 -0.576 1.00 0.00 C ATOM 448 O CYS A 29 87.241 8.542 -0.405 1.00 0.00 O ATOM 449 CB CYS A 29 89.227 8.394 1.561 1.00 0.00 C ATOM 450 SG CYS A 29 90.835 8.603 2.365 1.00 0.00 S ATOM 0 H CYS A 29 90.869 9.310 0.051 1.00 0.00 H new ATOM 0 HA CYS A 29 89.771 6.711 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.737 9.361 1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.576 7.778 2.181 1.00 0.00 H new ATOM 455 N GLY A 30 87.924 6.715 -1.420 1.00 0.00 N ATOM 456 CA GLY A 30 86.656 6.615 -2.199 1.00 0.00 C ATOM 457 C GLY A 30 86.980 6.456 -3.686 1.00 0.00 C ATOM 458 O GLY A 30 88.038 6.841 -4.145 1.00 0.00 O ATOM 0 H GLY A 30 88.605 5.978 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 30 86.069 5.765 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 30 86.049 7.507 -2.042 1.00 0.00 H new ATOM 506 N GLY A 35 93.689 13.324 -6.540 1.00 0.00 N ATOM 507 CA GLY A 35 94.490 14.580 -6.500 1.00 0.00 C ATOM 508 C GLY A 35 95.233 14.668 -5.166 1.00 0.00 C ATOM 509 O GLY A 35 95.119 13.800 -4.324 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.201 14.597 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.837 15.444 -6.623 1.00 0.00 H new ATOM 513 N THR A 36 95.992 15.712 -4.966 1.00 0.00 N ATOM 514 CA THR A 36 96.741 15.855 -3.683 1.00 0.00 C ATOM 515 C THR A 36 95.847 15.462 -2.503 1.00 0.00 C ATOM 516 O THR A 36 94.651 15.678 -2.529 1.00 0.00 O ATOM 517 CB THR A 36 97.110 17.338 -3.605 1.00 0.00 C ATOM 518 OG1 THR A 36 98.091 17.630 -4.592 1.00 0.00 O ATOM 519 CG2 THR A 36 97.670 17.655 -2.218 1.00 0.00 C ATOM 0 H THR A 36 96.126 16.471 -5.634 1.00 0.00 H new ATOM 0 HA THR A 36 97.621 15.213 -3.643 1.00 0.00 H new ATOM 0 HB THR A 36 96.222 17.944 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.329 18.580 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.932 18.712 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.918 17.429 -1.462 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.559 17.051 -2.038 1.00 0.00 H new ATOM 527 N PRO A 37 96.463 14.893 -1.503 1.00 0.00 N ATOM 528 CA PRO A 37 95.718 14.460 -0.295 1.00 0.00 C ATOM 529 C PRO A 37 95.263 15.676 0.517 1.00 0.00 C ATOM 530 O PRO A 37 95.713 16.783 0.299 1.00 0.00 O ATOM 531 CB PRO A 37 96.742 13.633 0.479 1.00 0.00 C ATOM 532 CG PRO A 37 98.073 14.141 0.021 1.00 0.00 C ATOM 533 CD PRO A 37 97.897 14.604 -1.402 1.00 0.00 C ATOM 0 HA PRO A 37 94.813 13.898 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.620 13.759 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.631 12.569 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.413 14.960 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.828 13.357 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.499 15.488 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.201 13.836 -2.113 1.00 0.00 H new ATOM 541 N VAL A 38 94.369 15.480 1.447 1.00 0.00 N ATOM 542 CA VAL A 38 93.881 16.626 2.268 1.00 0.00 C ATOM 543 C VAL A 38 94.247 16.423 3.741 1.00 0.00 C ATOM 544 O VAL A 38 94.228 17.349 4.527 1.00 0.00 O ATOM 545 CB VAL A 38 92.363 16.622 2.089 1.00 0.00 C ATOM 546 CG1 VAL A 38 92.023 16.644 0.598 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.780 15.356 2.725 1.00 0.00 C ATOM 0 H VAL A 38 93.955 14.576 1.674 1.00 0.00 H new ATOM 0 HA VAL A 38 94.328 17.571 1.960 1.00 0.00 H new ATOM 0 HB VAL A 38 91.938 17.503 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.940 16.641 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.439 17.543 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.447 15.764 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.697 15.351 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.206 14.477 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 38 92.021 15.338 3.788 1.00 0.00 H new ATOM 557 N ASP A 39 94.577 15.219 4.122 1.00 0.00 N ATOM 558 CA ASP A 39 94.940 14.962 5.546 1.00 0.00 C ATOM 559 C ASP A 39 95.758 13.674 5.661 1.00 0.00 C ATOM 560 O ASP A 39 96.166 13.095 4.673 1.00 0.00 O ATOM 561 CB ASP A 39 93.603 14.813 6.274 1.00 0.00 C ATOM 562 CG ASP A 39 93.655 15.571 7.601 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.518 16.784 7.573 1.00 0.00 O ATOM 564 OD2 ASP A 39 93.828 14.928 8.622 1.00 0.00 O ATOM 0 H ASP A 39 94.611 14.403 3.511 1.00 0.00 H new ATOM 0 HA ASP A 39 95.548 15.762 5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.794 15.200 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.390 13.759 6.454 1.00 0.00 H new ATOM 569 N ASP A 40 95.997 13.218 6.860 1.00 0.00 N ATOM 570 CA ASP A 40 96.786 11.965 7.038 1.00 0.00 C ATOM 571 C ASP A 40 95.967 10.758 6.572 1.00 0.00 C ATOM 572 O ASP A 40 96.465 9.885 5.893 1.00 0.00 O ATOM 573 CB ASP A 40 97.065 11.878 8.539 1.00 0.00 C ATOM 574 CG ASP A 40 98.047 12.980 8.943 1.00 0.00 C ATOM 575 OD1 ASP A 40 97.602 14.097 9.150 1.00 0.00 O ATOM 576 OD2 ASP A 40 99.227 12.688 9.040 1.00 0.00 O ATOM 0 H ASP A 40 95.680 13.658 7.724 1.00 0.00 H new ATOM 0 HA ASP A 40 97.707 11.970 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.135 11.982 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 40 97.478 10.900 8.786 1.00 0.00 H new ATOM 581 N LEU A 41 94.713 10.701 6.926 1.00 0.00 N ATOM 582 CA LEU A 41 93.882 9.545 6.486 1.00 0.00 C ATOM 583 C LEU A 41 93.851 9.489 4.959 1.00 0.00 C ATOM 584 O LEU A 41 93.941 8.433 4.363 1.00 0.00 O ATOM 585 CB LEU A 41 92.483 9.811 7.040 1.00 0.00 C ATOM 586 CG LEU A 41 91.626 8.557 6.863 1.00 0.00 C ATOM 587 CD1 LEU A 41 92.092 7.480 7.843 1.00 0.00 C ATOM 588 CD2 LEU A 41 90.160 8.890 7.137 1.00 0.00 C ATOM 0 H LEU A 41 94.231 11.397 7.495 1.00 0.00 H new ATOM 0 HA LEU A 41 94.276 8.593 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.541 10.080 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 41 92.027 10.654 6.521 1.00 0.00 H new ATOM 0 HG LEU A 41 91.729 8.193 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.482 6.586 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 41 93.136 7.237 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.991 7.848 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.553 7.993 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 90.055 9.257 8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.825 9.657 6.439 1.00 0.00 H new ATOM 600 N ASP A 42 93.735 10.620 4.318 1.00 0.00 N ATOM 601 CA ASP A 42 93.710 10.632 2.829 1.00 0.00 C ATOM 602 C ASP A 42 95.015 10.042 2.292 1.00 0.00 C ATOM 603 O ASP A 42 95.026 9.316 1.316 1.00 0.00 O ATOM 604 CB ASP A 42 93.584 12.106 2.442 1.00 0.00 C ATOM 605 CG ASP A 42 93.304 12.219 0.943 1.00 0.00 C ATOM 606 OD1 ASP A 42 93.290 11.193 0.283 1.00 0.00 O ATOM 607 OD2 ASP A 42 93.108 13.331 0.479 1.00 0.00 O ATOM 0 H ASP A 42 93.657 11.535 4.761 1.00 0.00 H new ATOM 0 HA ASP A 42 92.892 10.040 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.779 12.574 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.502 12.638 2.692 1.00 0.00 H new ATOM 612 N ARG A 43 96.114 10.336 2.931 1.00 0.00 N ATOM 613 CA ARG A 43 97.413 9.784 2.467 1.00 0.00 C ATOM 614 C ARG A 43 97.323 8.263 2.401 1.00 0.00 C ATOM 615 O ARG A 43 97.850 7.635 1.504 1.00 0.00 O ATOM 616 CB ARG A 43 98.423 10.213 3.527 1.00 0.00 C ATOM 617 CG ARG A 43 98.907 11.625 3.219 1.00 0.00 C ATOM 618 CD ARG A 43 100.403 11.593 2.914 1.00 0.00 C ATOM 619 NE ARG A 43 100.586 10.452 1.985 1.00 0.00 N ATOM 620 CZ ARG A 43 101.775 10.161 1.533 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.643 11.112 1.324 1.00 0.00 N ATOM 622 NH2 ARG A 43 102.095 8.919 1.290 1.00 0.00 N ATOM 0 H ARG A 43 96.166 10.935 3.755 1.00 0.00 H new ATOM 0 HA ARG A 43 97.692 10.139 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.966 10.181 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 43 99.266 9.522 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 43 98.360 12.031 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.711 12.281 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.732 12.527 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.988 11.458 3.824 1.00 0.00 H new ATOM 0 HE ARG A 43 99.782 9.894 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.392 12.082 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.573 10.885 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.416 8.176 1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 43 103.024 8.692 0.937 1.00 0.00 H new ATOM 636 N CYS A 44 96.652 7.668 3.345 1.00 0.00 N ATOM 637 CA CYS A 44 96.521 6.194 3.342 1.00 0.00 C ATOM 638 C CYS A 44 95.752 5.748 2.099 1.00 0.00 C ATOM 639 O CYS A 44 96.142 4.826 1.409 1.00 0.00 O ATOM 640 CB CYS A 44 95.729 5.855 4.605 1.00 0.00 C ATOM 641 SG CYS A 44 96.480 6.663 6.041 1.00 0.00 S ATOM 0 H CYS A 44 96.189 8.144 4.119 1.00 0.00 H new ATOM 0 HA CYS A 44 97.489 5.693 3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.695 6.180 4.494 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.710 4.775 4.753 1.00 0.00 H new ATOM 646 N CYS A 45 94.659 6.400 1.807 1.00 0.00 N ATOM 647 CA CYS A 45 93.862 6.022 0.606 1.00 0.00 C ATOM 648 C CYS A 45 94.716 6.189 -0.648 1.00 0.00 C ATOM 649 O CYS A 45 94.747 5.332 -1.509 1.00 0.00 O ATOM 650 CB CYS A 45 92.678 6.989 0.590 1.00 0.00 C ATOM 651 SG CYS A 45 91.742 6.813 2.129 1.00 0.00 S ATOM 0 H CYS A 45 94.284 7.178 2.349 1.00 0.00 H new ATOM 0 HA CYS A 45 93.529 4.985 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 45 93.032 8.014 0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 45 92.036 6.781 -0.266 1.00 0.00 H new ATOM 656 N GLN A 46 95.426 7.279 -0.752 1.00 0.00 N ATOM 657 CA GLN A 46 96.292 7.478 -1.946 1.00 0.00 C ATOM 658 C GLN A 46 97.182 6.251 -2.116 1.00 0.00 C ATOM 659 O GLN A 46 97.394 5.765 -3.208 1.00 0.00 O ATOM 660 CB GLN A 46 97.135 8.714 -1.634 1.00 0.00 C ATOM 661 CG GLN A 46 98.154 8.928 -2.756 1.00 0.00 C ATOM 662 CD GLN A 46 98.653 10.368 -2.731 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.206 11.167 -1.931 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.567 10.735 -3.581 1.00 0.00 N ATOM 0 H GLN A 46 95.444 8.035 -0.067 1.00 0.00 H new ATOM 0 HA GLN A 46 95.723 7.611 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.494 9.590 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.648 8.587 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.992 8.241 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.698 8.708 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.940 10.062 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.911 11.695 -3.577 1.00 0.00 H new ATOM 673 N THR A 47 97.695 5.745 -1.029 1.00 0.00 N ATOM 674 CA THR A 47 98.563 4.543 -1.100 1.00 0.00 C ATOM 675 C THR A 47 97.760 3.358 -1.634 1.00 0.00 C ATOM 676 O THR A 47 98.281 2.489 -2.303 1.00 0.00 O ATOM 677 CB THR A 47 99.000 4.289 0.343 1.00 0.00 C ATOM 678 OG1 THR A 47 99.259 5.531 0.983 1.00 0.00 O ATOM 679 CG2 THR A 47 100.267 3.432 0.352 1.00 0.00 C ATOM 0 H THR A 47 97.548 6.117 -0.091 1.00 0.00 H new ATOM 0 HA THR A 47 99.416 4.680 -1.764 1.00 0.00 H new ATOM 0 HB THR A 47 98.207 3.764 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.434 5.867 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.577 3.252 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 47 100.065 2.480 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 47 101.062 3.953 -0.181 1.00 0.00 H new ATOM 687 N HIS A 48 96.487 3.326 -1.347 1.00 0.00 N ATOM 688 CA HIS A 48 95.639 2.207 -1.842 1.00 0.00 C ATOM 689 C HIS A 48 95.577 2.256 -3.367 1.00 0.00 C ATOM 690 O HIS A 48 95.856 1.287 -4.043 1.00 0.00 O ATOM 691 CB HIS A 48 94.257 2.461 -1.235 1.00 0.00 C ATOM 692 CG HIS A 48 93.356 1.295 -1.527 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.055 1.461 -1.975 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.551 -0.062 -1.439 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.523 0.235 -2.141 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.393 -0.729 -1.828 1.00 0.00 N ATOM 0 H HIS A 48 95.998 4.027 -0.791 1.00 0.00 H new ATOM 0 HA HIS A 48 96.025 1.226 -1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.343 2.606 -0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.830 3.375 -1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.465 -0.539 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.516 0.053 -2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.241 -1.737 -1.866 1.00 0.00 H new ATOM 704 N ASP A 49 95.224 3.386 -3.911 1.00 0.00 N ATOM 705 CA ASP A 49 95.157 3.510 -5.389 1.00 0.00 C ATOM 706 C ASP A 49 96.539 3.243 -5.988 1.00 0.00 C ATOM 707 O ASP A 49 96.677 2.573 -6.993 1.00 0.00 O ATOM 708 CB ASP A 49 94.726 4.954 -5.648 1.00 0.00 C ATOM 709 CG ASP A 49 93.199 5.033 -5.700 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.576 4.745 -4.691 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.678 5.379 -6.748 1.00 0.00 O ATOM 0 H ASP A 49 94.979 4.230 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 49 94.465 2.798 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.107 5.605 -4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.151 5.308 -6.587 1.00 0.00 H new ATOM 716 N ASN A 50 97.564 3.762 -5.369 1.00 0.00 N ATOM 717 CA ASN A 50 98.943 3.547 -5.880 1.00 0.00 C ATOM 718 C ASN A 50 99.279 2.055 -5.870 1.00 0.00 C ATOM 719 O ASN A 50 99.884 1.537 -6.788 1.00 0.00 O ATOM 720 CB ASN A 50 99.845 4.303 -4.904 1.00 0.00 C ATOM 721 CG ASN A 50 99.914 5.779 -5.303 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.763 6.115 -6.460 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.137 6.679 -4.385 1.00 0.00 N ATOM 0 H ASN A 50 97.502 4.330 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 50 99.066 3.896 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.459 4.208 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.845 3.869 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.185 7.666 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.264 6.396 -3.413 1.00 0.00 H new ATOM 730 N CYS A 51 98.893 1.362 -4.835 1.00 0.00 N ATOM 731 CA CYS A 51 99.190 -0.095 -4.759 1.00 0.00 C ATOM 732 C CYS A 51 98.467 -0.836 -5.887 1.00 0.00 C ATOM 733 O CYS A 51 98.907 -1.872 -6.345 1.00 0.00 O ATOM 734 CB CYS A 51 98.660 -0.534 -3.394 1.00 0.00 C ATOM 735 SG CYS A 51 99.454 -2.086 -2.907 1.00 0.00 S ATOM 0 H CYS A 51 98.384 1.743 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 51 100.253 -0.311 -4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.859 0.237 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.579 -0.664 -3.437 1.00 0.00 H new ATOM 740 N TYR A 52 97.363 -0.309 -6.341 1.00 0.00 N ATOM 741 CA TYR A 52 96.616 -0.978 -7.443 1.00 0.00 C ATOM 742 C TYR A 52 97.345 -0.758 -8.771 1.00 0.00 C ATOM 743 O TYR A 52 97.249 -1.554 -9.685 1.00 0.00 O ATOM 744 CB TYR A 52 95.243 -0.304 -7.460 1.00 0.00 C ATOM 745 CG TYR A 52 94.315 -1.038 -6.522 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.697 -1.267 -5.194 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.073 -1.493 -6.981 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.837 -1.949 -4.326 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.213 -2.177 -6.113 1.00 0.00 C ATOM 750 CZ TYR A 52 92.595 -2.404 -4.784 1.00 0.00 C ATOM 751 OH TYR A 52 91.748 -3.078 -3.928 1.00 0.00 O ATOM 0 H TYR A 52 96.946 0.556 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 52 96.533 -2.055 -7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.334 0.739 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.835 -0.309 -8.471 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.655 -0.917 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.778 -1.316 -8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.132 -2.124 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.256 -2.529 -6.468 1.00 0.00 H new ATOM 0 HH TYR A 52 92.266 -3.459 -3.188 1.00 0.00 H new ATOM 761 N LYS A 53 98.094 0.307 -8.875 1.00 0.00 N ATOM 762 CA LYS A 53 98.850 0.568 -10.136 1.00 0.00 C ATOM 763 C LYS A 53 100.076 -0.326 -10.142 1.00 0.00 C ATOM 764 O LYS A 53 100.326 -1.070 -11.070 1.00 0.00 O ATOM 765 CB LYS A 53 99.288 2.039 -10.088 1.00 0.00 C ATOM 766 CG LYS A 53 98.216 2.901 -9.422 1.00 0.00 C ATOM 767 CD LYS A 53 97.688 3.929 -10.426 1.00 0.00 C ATOM 768 CE LYS A 53 96.508 3.333 -11.197 1.00 0.00 C ATOM 769 NZ LYS A 53 96.013 4.441 -12.060 1.00 0.00 N ATOM 0 H LYS A 53 98.215 1.007 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 53 98.251 0.370 -11.025 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.225 2.127 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.476 2.401 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.399 2.273 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.632 3.408 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.375 4.834 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.480 4.217 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.819 2.476 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.730 2.983 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.202 4.109 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.717 5.240 -11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.773 4.749 -12.700 1.00 0.00 H new ATOM 783 N GLN A 54 100.834 -0.261 -9.089 1.00 0.00 N ATOM 784 CA GLN A 54 102.048 -1.106 -8.988 1.00 0.00 C ATOM 785 C GLN A 54 101.662 -2.569 -9.195 1.00 0.00 C ATOM 786 O GLN A 54 102.379 -3.336 -9.807 1.00 0.00 O ATOM 787 CB GLN A 54 102.576 -0.891 -7.569 1.00 0.00 C ATOM 788 CG GLN A 54 103.422 0.383 -7.516 1.00 0.00 C ATOM 789 CD GLN A 54 103.993 0.562 -6.107 1.00 0.00 C ATOM 790 OE1 GLN A 54 103.417 -0.038 -5.100 1.00 0.00 O flip ATOM 791 NE2 GLN A 54 104.974 1.253 -5.920 1.00 0.00 N flip ATOM 0 H GLN A 54 100.663 0.346 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 54 102.798 -0.850 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.744 -0.815 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.174 -1.748 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.232 0.324 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.814 1.247 -7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.425 1.722 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.347 1.364 -4.977 1.00 0.00 H new ATOM 800 N ALA A 55 100.523 -2.956 -8.688 1.00 0.00 N ATOM 801 CA ALA A 55 100.074 -4.366 -8.854 1.00 0.00 C ATOM 802 C ALA A 55 99.866 -4.671 -10.338 1.00 0.00 C ATOM 803 O ALA A 55 100.146 -5.756 -10.803 1.00 0.00 O ATOM 804 CB ALA A 55 98.749 -4.453 -8.096 1.00 0.00 C ATOM 0 H ALA A 55 99.884 -2.356 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 55 100.803 -5.084 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.353 -5.466 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 55 98.913 -4.205 -7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.036 -3.751 -8.528 1.00 0.00 H new ATOM 810 N LYS A 56 99.378 -3.720 -11.086 1.00 0.00 N ATOM 811 CA LYS A 56 99.157 -3.957 -12.541 1.00 0.00 C ATOM 812 C LYS A 56 100.492 -4.217 -13.244 1.00 0.00 C ATOM 813 O LYS A 56 100.658 -5.201 -13.936 1.00 0.00 O ATOM 814 CB LYS A 56 98.520 -2.669 -13.065 1.00 0.00 C ATOM 815 CG LYS A 56 97.154 -2.466 -12.404 1.00 0.00 C ATOM 816 CD LYS A 56 96.055 -2.547 -13.465 1.00 0.00 C ATOM 817 CE LYS A 56 96.035 -1.251 -14.280 1.00 0.00 C ATOM 818 NZ LYS A 56 94.848 -0.501 -13.784 1.00 0.00 N ATOM 0 H LYS A 56 99.123 -2.790 -10.753 1.00 0.00 H new ATOM 0 HA LYS A 56 98.525 -4.827 -12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.168 -1.818 -12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.407 -2.722 -14.148 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.992 -3.226 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.121 -1.498 -11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.231 -3.399 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.087 -2.705 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 56 96.952 -0.679 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.954 -1.457 -15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.768 0.400 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 93.989 -1.066 -13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.957 -0.313 -12.767 1.00 0.00 H new ATOM 832 N LYS A 57 101.443 -3.339 -13.075 1.00 0.00 N ATOM 833 CA LYS A 57 102.759 -3.532 -13.734 1.00 0.00 C ATOM 834 C LYS A 57 103.422 -4.820 -13.238 1.00 0.00 C ATOM 835 O LYS A 57 104.189 -5.446 -13.944 1.00 0.00 O ATOM 836 CB LYS A 57 103.588 -2.312 -13.330 1.00 0.00 C ATOM 837 CG LYS A 57 103.750 -1.384 -14.534 1.00 0.00 C ATOM 838 CD LYS A 57 102.416 -0.696 -14.830 1.00 0.00 C ATOM 839 CE LYS A 57 102.142 -0.735 -16.338 1.00 0.00 C ATOM 840 NZ LYS A 57 102.741 0.520 -16.880 1.00 0.00 N ATOM 0 H LYS A 57 101.362 -2.496 -12.507 1.00 0.00 H new ATOM 0 HA LYS A 57 102.666 -3.623 -14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.100 -1.782 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.566 -2.628 -12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.519 -0.638 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.079 -1.953 -15.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 101.610 -1.194 -14.291 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.442 0.336 -14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 57 102.592 -1.616 -16.797 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.072 -0.780 -16.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 102.591 0.560 -17.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 102.289 1.342 -16.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 103.761 0.533 -16.678 1.00 0.00 H new ATOM 854 N LEU A 58 103.138 -5.216 -12.028 1.00 0.00 N ATOM 855 CA LEU A 58 103.756 -6.454 -11.485 1.00 0.00 C ATOM 856 C LEU A 58 103.510 -7.635 -12.430 1.00 0.00 C ATOM 857 O LEU A 58 102.384 -7.986 -12.721 1.00 0.00 O ATOM 858 CB LEU A 58 103.069 -6.680 -10.139 1.00 0.00 C ATOM 859 CG LEU A 58 104.037 -6.320 -9.011 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.247 -5.947 -7.757 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.934 -7.521 -8.711 1.00 0.00 C ATOM 0 H LEU A 58 102.503 -4.733 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 58 104.837 -6.364 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.169 -6.069 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.756 -7.720 -10.047 1.00 0.00 H new ATOM 0 HG LEU A 58 104.651 -5.473 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.938 -5.691 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.607 -5.091 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.632 -6.793 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.625 -7.267 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.319 -8.368 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.499 -7.786 -9.605 1.00 0.00 H new ATOM 873 N ASP A 59 104.558 -8.246 -12.912 1.00 0.00 N ATOM 874 CA ASP A 59 104.391 -9.402 -13.841 1.00 0.00 C ATOM 875 C ASP A 59 103.382 -10.402 -13.268 1.00 0.00 C ATOM 876 O ASP A 59 102.376 -10.699 -13.882 1.00 0.00 O ATOM 877 CB ASP A 59 105.779 -10.035 -13.941 1.00 0.00 C ATOM 878 CG ASP A 59 106.609 -9.280 -14.982 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.514 -9.624 -16.148 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.323 -8.371 -14.594 1.00 0.00 O ATOM 0 H ASP A 59 105.524 -7.995 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 59 104.013 -9.096 -14.816 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.276 -10.003 -12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.693 -11.085 -14.221 1.00 0.00 H new ATOM 885 N SER A 60 103.645 -10.926 -12.100 1.00 0.00 N ATOM 886 CA SER A 60 102.703 -11.908 -11.490 1.00 0.00 C ATOM 887 C SER A 60 101.259 -11.459 -11.719 1.00 0.00 C ATOM 888 O SER A 60 100.366 -12.263 -11.897 1.00 0.00 O ATOM 889 CB SER A 60 103.032 -11.904 -9.998 1.00 0.00 C ATOM 890 OG SER A 60 104.238 -12.626 -9.779 1.00 0.00 O ATOM 0 H SER A 60 104.473 -10.716 -11.542 1.00 0.00 H new ATOM 0 HA SER A 60 102.804 -12.902 -11.925 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.138 -10.880 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.217 -12.356 -9.433 1.00 0.00 H new ATOM 0 HG SER A 60 104.904 -12.034 -9.372 1.00 0.00 H new ATOM 896 N CYS A 61 101.027 -10.175 -11.719 1.00 0.00 N ATOM 897 CA CYS A 61 99.646 -9.666 -11.942 1.00 0.00 C ATOM 898 C CYS A 61 99.445 -9.343 -13.423 1.00 0.00 C ATOM 899 O CYS A 61 98.350 -9.425 -13.945 1.00 0.00 O ATOM 900 CB CYS A 61 99.555 -8.395 -11.098 1.00 0.00 C ATOM 901 SG CYS A 61 99.588 -8.824 -9.337 1.00 0.00 S ATOM 0 H CYS A 61 101.736 -9.456 -11.574 1.00 0.00 H new ATOM 0 HA CYS A 61 98.882 -10.393 -11.666 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.385 -7.730 -11.335 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.637 -7.856 -11.333 1.00 0.00 H new ATOM 906 N LYS A 62 100.495 -8.976 -14.104 1.00 0.00 N ATOM 907 CA LYS A 62 100.368 -8.650 -15.552 1.00 0.00 C ATOM 908 C LYS A 62 100.499 -9.923 -16.392 1.00 0.00 C ATOM 909 O LYS A 62 100.569 -9.873 -17.604 1.00 0.00 O ATOM 910 CB LYS A 62 101.522 -7.692 -15.845 1.00 0.00 C ATOM 911 CG LYS A 62 101.311 -7.041 -17.213 1.00 0.00 C ATOM 912 CD LYS A 62 102.138 -5.757 -17.300 1.00 0.00 C ATOM 913 CE LYS A 62 102.935 -5.752 -18.606 1.00 0.00 C ATOM 914 NZ LYS A 62 104.360 -5.873 -18.185 1.00 0.00 N ATOM 0 H LYS A 62 101.436 -8.888 -13.720 1.00 0.00 H new ATOM 0 HA LYS A 62 99.401 -8.208 -15.794 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.578 -6.926 -15.071 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.469 -8.231 -15.829 1.00 0.00 H new ATOM 0 HG2 LYS A 62 101.605 -7.730 -18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.255 -6.817 -17.362 1.00 0.00 H new ATOM 0 HD2 LYS A 62 101.483 -4.886 -17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.815 -5.689 -16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 62 102.642 -6.580 -19.251 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.766 -4.834 -19.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 104.971 -5.877 -19.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.612 -5.067 -17.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 104.492 -6.759 -17.657 1.00 0.00 H new ATOM 928 N VAL A 63 100.535 -11.063 -15.757 1.00 0.00 N ATOM 929 CA VAL A 63 100.663 -12.339 -16.520 1.00 0.00 C ATOM 930 C VAL A 63 99.527 -13.297 -16.147 1.00 0.00 C ATOM 931 O VAL A 63 99.544 -14.461 -16.497 1.00 0.00 O ATOM 932 CB VAL A 63 102.014 -12.919 -16.100 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.944 -13.374 -14.641 1.00 0.00 C ATOM 934 CG2 VAL A 63 102.354 -14.115 -16.990 1.00 0.00 C ATOM 0 H VAL A 63 100.481 -11.167 -14.744 1.00 0.00 H new ATOM 0 HA VAL A 63 100.604 -12.183 -17.597 1.00 0.00 H new ATOM 0 HB VAL A 63 102.785 -12.156 -16.206 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.907 -13.787 -14.342 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.702 -12.522 -14.005 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.173 -14.137 -14.534 1.00 0.00 H new ATOM 0 HG21 VAL A 63 103.317 -14.529 -16.691 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.583 -14.878 -16.885 1.00 0.00 H new ATOM 0 HG23 VAL A 63 102.405 -13.792 -18.030 1.00 0.00 H new ATOM 1019 N TYR A 69 91.315 -6.156 -10.451 1.00 0.00 N ATOM 1020 CA TYR A 69 90.050 -5.663 -9.834 1.00 0.00 C ATOM 1021 C TYR A 69 89.036 -6.805 -9.721 1.00 0.00 C ATOM 1022 O TYR A 69 87.844 -6.583 -9.631 1.00 0.00 O ATOM 1023 CB TYR A 69 89.539 -4.586 -10.790 1.00 0.00 C ATOM 1024 CG TYR A 69 89.289 -3.299 -10.017 1.00 0.00 C ATOM 1025 CD1 TYR A 69 90.364 -2.601 -9.455 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.984 -2.815 -9.866 1.00 0.00 C ATOM 1027 CE1 TYR A 69 90.134 -1.418 -8.743 1.00 0.00 C ATOM 1028 CE2 TYR A 69 87.754 -1.632 -9.154 1.00 0.00 C ATOM 1029 CZ TYR A 69 88.829 -0.934 -8.592 1.00 0.00 C ATOM 1030 OH TYR A 69 88.603 0.232 -7.889 1.00 0.00 O ATOM 0 HA TYR A 69 90.205 -5.276 -8.827 1.00 0.00 H new ATOM 0 HB2 TYR A 69 90.268 -4.412 -11.582 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.619 -4.918 -11.271 1.00 0.00 H new ATOM 0 HD1 TYR A 69 91.371 -2.975 -9.571 1.00 0.00 H new ATOM 0 HD2 TYR A 69 87.155 -3.354 -10.299 1.00 0.00 H new ATOM 0 HE1 TYR A 69 90.963 -0.879 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.747 -1.258 -9.038 1.00 0.00 H new ATOM 0 HH TYR A 69 87.643 0.428 -7.880 1.00 0.00 H new ATOM 1040 N THR A 70 89.502 -8.023 -9.718 1.00 0.00 N ATOM 1041 CA THR A 70 88.573 -9.177 -9.604 1.00 0.00 C ATOM 1042 C THR A 70 89.363 -10.482 -9.477 1.00 0.00 C ATOM 1043 O THR A 70 88.902 -11.538 -9.862 1.00 0.00 O ATOM 1044 CB THR A 70 87.750 -9.166 -10.893 1.00 0.00 C ATOM 1045 OG1 THR A 70 86.715 -10.134 -10.798 1.00 0.00 O ATOM 1046 CG2 THR A 70 88.653 -9.496 -12.083 1.00 0.00 C ATOM 0 H THR A 70 90.490 -8.267 -9.790 1.00 0.00 H new ATOM 0 HA THR A 70 87.937 -9.105 -8.722 1.00 0.00 H new ATOM 0 HB THR A 70 87.313 -8.178 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.098 -10.997 -10.536 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.064 -9.487 -13.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.447 -8.752 -12.155 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.093 -10.484 -11.943 1.00 0.00 H new ATOM 1054 N ASN A 71 90.549 -10.419 -8.933 1.00 0.00 N ATOM 1055 CA ASN A 71 91.361 -11.658 -8.776 1.00 0.00 C ATOM 1056 C ASN A 71 90.890 -12.430 -7.542 1.00 0.00 C ATOM 1057 O ASN A 71 90.100 -11.944 -6.758 1.00 0.00 O ATOM 1058 CB ASN A 71 92.797 -11.170 -8.589 1.00 0.00 C ATOM 1059 CG ASN A 71 93.675 -12.335 -8.132 1.00 0.00 C ATOM 1060 OD1 ASN A 71 93.720 -13.366 -8.775 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.381 -12.217 -7.041 1.00 0.00 N ATOM 0 H ASN A 71 90.989 -9.564 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 71 91.271 -12.329 -9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 71 93.177 -10.759 -9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.827 -10.367 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.970 -12.989 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.344 -11.353 -6.501 1.00 0.00 H new ATOM 1068 N ASN A 72 91.364 -13.631 -7.363 1.00 0.00 N ATOM 1069 CA ASN A 72 90.936 -14.428 -6.178 1.00 0.00 C ATOM 1070 C ASN A 72 91.224 -13.658 -4.886 1.00 0.00 C ATOM 1071 O ASN A 72 92.335 -13.641 -4.397 1.00 0.00 O ATOM 1072 CB ASN A 72 91.771 -15.706 -6.240 1.00 0.00 C ATOM 1073 CG ASN A 72 90.886 -16.870 -6.692 1.00 0.00 C ATOM 1074 OD1 ASN A 72 89.698 -16.704 -6.887 1.00 0.00 O ATOM 1075 ND2 ASN A 72 91.418 -18.048 -6.869 1.00 0.00 N ATOM 0 H ASN A 72 92.027 -14.095 -7.984 1.00 0.00 H new ATOM 0 HA ASN A 72 89.867 -14.638 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 72 92.603 -15.577 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 72 92.201 -15.920 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 72 90.837 -18.830 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 72 92.415 -18.187 -6.705 1.00 0.00 H new ATOM 1082 N TYR A 73 90.228 -13.023 -4.328 1.00 0.00 N ATOM 1083 CA TYR A 73 90.444 -12.259 -3.066 1.00 0.00 C ATOM 1084 C TYR A 73 89.827 -13.011 -1.883 1.00 0.00 C ATOM 1085 O TYR A 73 88.634 -13.240 -1.835 1.00 0.00 O ATOM 1086 CB TYR A 73 89.732 -10.923 -3.281 1.00 0.00 C ATOM 1087 CG TYR A 73 90.381 -9.858 -2.426 1.00 0.00 C ATOM 1088 CD1 TYR A 73 90.978 -10.205 -1.207 1.00 0.00 C ATOM 1089 CD2 TYR A 73 90.385 -8.524 -2.851 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.579 -9.219 -0.415 1.00 0.00 C ATOM 1091 CE2 TYR A 73 90.985 -7.538 -2.059 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.583 -7.885 -0.841 1.00 0.00 C ATOM 1093 OH TYR A 73 92.174 -6.914 -0.060 1.00 0.00 O ATOM 0 H TYR A 73 89.275 -13.001 -4.691 1.00 0.00 H new ATOM 0 HA TYR A 73 91.502 -12.124 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 73 89.780 -10.639 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 73 88.677 -11.016 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 73 90.975 -11.234 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 73 89.925 -8.256 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 73 92.039 -9.487 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.987 -6.509 -2.387 1.00 0.00 H new ATOM 0 HH TYR A 73 91.510 -6.542 0.558 1.00 0.00 H new ATOM 1103 N SER A 74 90.629 -13.397 -0.930 1.00 0.00 N ATOM 1104 CA SER A 74 90.088 -14.134 0.248 1.00 0.00 C ATOM 1105 C SER A 74 90.884 -13.775 1.507 1.00 0.00 C ATOM 1106 O SER A 74 92.078 -13.980 1.578 1.00 0.00 O ATOM 1107 CB SER A 74 90.261 -15.614 -0.099 1.00 0.00 C ATOM 1108 OG SER A 74 90.986 -16.265 0.937 1.00 0.00 O ATOM 0 H SER A 74 91.636 -13.234 -0.915 1.00 0.00 H new ATOM 0 HA SER A 74 89.047 -13.884 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 74 89.286 -16.085 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 74 90.790 -15.716 -1.047 1.00 0.00 H new ATOM 0 HG SER A 74 90.599 -17.151 1.100 1.00 0.00 H new ATOM 1114 N TYR A 75 90.227 -13.242 2.500 1.00 0.00 N ATOM 1115 CA TYR A 75 90.944 -12.872 3.753 1.00 0.00 C ATOM 1116 C TYR A 75 90.055 -13.144 4.969 1.00 0.00 C ATOM 1117 O TYR A 75 88.973 -13.685 4.852 1.00 0.00 O ATOM 1118 CB TYR A 75 91.237 -11.373 3.616 1.00 0.00 C ATOM 1119 CG TYR A 75 89.971 -10.571 3.896 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.639 -10.223 5.210 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.140 -10.182 2.838 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.477 -9.486 5.468 1.00 0.00 C ATOM 1123 CE2 TYR A 75 87.978 -9.444 3.096 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.646 -9.097 4.412 1.00 0.00 C ATOM 1125 OH TYR A 75 86.500 -8.370 4.666 1.00 0.00 O ATOM 0 H TYR A 75 89.226 -13.047 2.498 1.00 0.00 H new ATOM 0 HA TYR A 75 91.857 -13.450 3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.024 -11.082 4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.602 -11.155 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.280 -10.523 6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 75 89.395 -10.451 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.222 -9.218 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.338 -9.142 2.280 1.00 0.00 H new ATOM 0 HH TYR A 75 86.374 -7.701 3.961 1.00 0.00 H new ATOM 1135 N SER A 76 90.499 -12.771 6.138 1.00 0.00 N ATOM 1136 CA SER A 76 89.677 -13.004 7.358 1.00 0.00 C ATOM 1137 C SER A 76 89.981 -11.933 8.408 1.00 0.00 C ATOM 1138 O SER A 76 90.941 -11.200 8.296 1.00 0.00 O ATOM 1139 CB SER A 76 90.097 -14.385 7.863 1.00 0.00 C ATOM 1140 OG SER A 76 88.990 -15.273 7.777 1.00 0.00 O ATOM 0 H SER A 76 91.397 -12.315 6.301 1.00 0.00 H new ATOM 0 HA SER A 76 88.608 -12.955 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.929 -14.764 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.445 -14.318 8.894 1.00 0.00 H new ATOM 0 HG SER A 76 89.256 -16.160 8.098 1.00 0.00 H new ATOM 1146 N CYS A 77 89.174 -11.837 9.427 1.00 0.00 N ATOM 1147 CA CYS A 77 89.430 -10.812 10.478 1.00 0.00 C ATOM 1148 C CYS A 77 89.658 -11.487 11.824 1.00 0.00 C ATOM 1149 O CYS A 77 89.378 -12.655 12.008 1.00 0.00 O ATOM 1150 CB CYS A 77 88.171 -9.948 10.517 1.00 0.00 C ATOM 1151 SG CYS A 77 88.200 -8.844 11.953 1.00 0.00 S ATOM 0 H CYS A 77 88.351 -12.421 9.578 1.00 0.00 H new ATOM 0 HA CYS A 77 90.319 -10.218 10.264 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.098 -9.361 9.602 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.287 -10.585 10.559 1.00 0.00 H new ATOM 1156 N SER A 78 90.165 -10.752 12.762 1.00 0.00 N ATOM 1157 CA SER A 78 90.426 -11.326 14.115 1.00 0.00 C ATOM 1158 C SER A 78 91.259 -10.349 14.948 1.00 0.00 C ATOM 1159 O SER A 78 92.099 -9.642 14.431 1.00 0.00 O ATOM 1160 CB SER A 78 91.208 -12.616 13.858 1.00 0.00 C ATOM 1161 OG SER A 78 92.357 -12.647 14.695 1.00 0.00 O ATOM 0 H SER A 78 90.415 -9.769 12.656 1.00 0.00 H new ATOM 0 HA SER A 78 89.506 -11.514 14.669 1.00 0.00 H new ATOM 0 HB2 SER A 78 90.577 -13.482 14.056 1.00 0.00 H new ATOM 0 HB3 SER A 78 91.506 -12.671 12.811 1.00 0.00 H new ATOM 0 HG SER A 78 92.858 -13.473 14.532 1.00 0.00 H new ATOM 1167 N ASN A 79 91.031 -10.305 16.233 1.00 0.00 N ATOM 1168 CA ASN A 79 91.808 -9.370 17.099 1.00 0.00 C ATOM 1169 C ASN A 79 91.972 -8.022 16.397 1.00 0.00 C ATOM 1170 O ASN A 79 93.059 -7.490 16.292 1.00 0.00 O ATOM 1171 CB ASN A 79 93.168 -10.043 17.294 1.00 0.00 C ATOM 1172 CG ASN A 79 92.966 -11.450 17.859 1.00 0.00 C ATOM 1173 OD1 ASN A 79 91.872 -11.814 18.240 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.985 -12.263 17.930 1.00 0.00 N ATOM 0 H ASN A 79 90.341 -10.876 16.721 1.00 0.00 H new ATOM 0 HA ASN A 79 91.312 -9.178 18.050 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.700 -10.094 16.344 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.784 -9.452 17.972 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.862 -13.203 18.305 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.904 -11.958 17.610 1.00 0.00 H new ATOM 1181 N ASN A 80 90.896 -7.471 15.913 1.00 0.00 N ATOM 1182 CA ASN A 80 90.970 -6.168 15.215 1.00 0.00 C ATOM 1183 C ASN A 80 92.145 -6.173 14.248 1.00 0.00 C ATOM 1184 O ASN A 80 92.843 -5.193 14.077 1.00 0.00 O ATOM 1185 CB ASN A 80 91.149 -5.136 16.320 1.00 0.00 C ATOM 1186 CG ASN A 80 90.223 -5.445 17.468 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.101 -6.017 17.218 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 90.525 -5.161 18.610 1.00 0.00 N flip ATOM 0 H ASN A 80 89.961 -7.875 15.974 1.00 0.00 H new ATOM 0 HA ASN A 80 90.082 -5.950 14.621 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.183 -5.137 16.665 1.00 0.00 H new ATOM 0 HB3 ASN A 80 90.942 -4.138 15.934 1.00 0.00 H new ATOM 0 HD21 ASN A 80 91.417 -4.707 18.804 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.886 -5.377 19.375 1.00 0.00 H new ATOM 1195 N GLU A 81 92.350 -7.283 13.609 1.00 0.00 N ATOM 1196 CA GLU A 81 93.458 -7.400 12.634 1.00 0.00 C ATOM 1197 C GLU A 81 92.969 -8.067 11.352 1.00 0.00 C ATOM 1198 O GLU A 81 92.025 -8.831 11.355 1.00 0.00 O ATOM 1199 CB GLU A 81 94.513 -8.264 13.317 1.00 0.00 C ATOM 1200 CG GLU A 81 95.262 -7.415 14.336 1.00 0.00 C ATOM 1201 CD GLU A 81 96.769 -7.547 14.107 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.328 -8.543 14.536 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.337 -6.650 13.506 1.00 0.00 O ATOM 0 H GLU A 81 91.788 -8.127 13.723 1.00 0.00 H new ATOM 0 HA GLU A 81 93.856 -6.425 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.042 -9.115 13.809 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.207 -8.666 12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 81 94.961 -6.371 14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.008 -7.734 15.347 1.00 0.00 H new ATOM 1210 N ILE A 82 93.607 -7.785 10.255 1.00 0.00 N ATOM 1211 CA ILE A 82 93.173 -8.401 8.967 1.00 0.00 C ATOM 1212 C ILE A 82 93.993 -9.655 8.664 1.00 0.00 C ATOM 1213 O ILE A 82 95.191 -9.697 8.870 1.00 0.00 O ATOM 1214 CB ILE A 82 93.410 -7.329 7.906 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.635 -6.066 8.286 1.00 0.00 C ATOM 1216 CG2 ILE A 82 92.916 -7.838 6.551 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.942 -4.953 7.284 1.00 0.00 C ATOM 0 H ILE A 82 94.408 -7.157 10.190 1.00 0.00 H new ATOM 0 HA ILE A 82 92.129 -8.714 8.999 1.00 0.00 H new ATOM 0 HB ILE A 82 94.474 -7.103 7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.565 -6.274 8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.909 -5.749 9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.084 -7.074 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 82 93.460 -8.743 6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 82 91.851 -8.060 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.389 -4.055 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.011 -4.738 7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.646 -5.271 6.284 1.00 0.00 H new ATOM 1229 N THR A 83 93.346 -10.676 8.181 1.00 0.00 N ATOM 1230 CA THR A 83 94.062 -11.943 7.859 1.00 0.00 C ATOM 1231 C THR A 83 93.960 -12.240 6.357 1.00 0.00 C ATOM 1232 O THR A 83 92.884 -12.421 5.823 1.00 0.00 O ATOM 1233 CB THR A 83 93.333 -13.011 8.691 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.949 -13.107 9.967 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.396 -14.375 7.994 1.00 0.00 C ATOM 0 H THR A 83 92.343 -10.689 7.993 1.00 0.00 H new ATOM 0 HA THR A 83 95.126 -11.903 8.090 1.00 0.00 H new ATOM 0 HB THR A 83 92.288 -12.722 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.487 -13.785 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.875 -15.117 8.599 1.00 0.00 H new ATOM 0 HG22 THR A 83 92.921 -14.306 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.437 -14.673 7.872 1.00 0.00 H new ATOM 1243 N CYS A 84 95.071 -12.300 5.676 1.00 0.00 N ATOM 1244 CA CYS A 84 95.033 -12.594 4.214 1.00 0.00 C ATOM 1245 C CYS A 84 95.515 -14.024 3.955 1.00 0.00 C ATOM 1246 O CYS A 84 96.593 -14.408 4.365 1.00 0.00 O ATOM 1247 CB CYS A 84 95.983 -11.581 3.577 1.00 0.00 C ATOM 1248 SG CYS A 84 95.057 -10.100 3.104 1.00 0.00 S ATOM 0 H CYS A 84 96.002 -12.159 6.067 1.00 0.00 H new ATOM 0 HA CYS A 84 94.027 -12.517 3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.776 -11.319 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.463 -12.018 2.701 1.00 0.00 H new ATOM 1253 N SER A 85 94.725 -14.813 3.282 1.00 0.00 N ATOM 1254 CA SER A 85 95.136 -16.219 2.999 1.00 0.00 C ATOM 1255 C SER A 85 96.611 -16.268 2.593 1.00 0.00 C ATOM 1256 O SER A 85 97.034 -15.597 1.673 1.00 0.00 O ATOM 1257 CB SER A 85 94.247 -16.665 1.838 1.00 0.00 C ATOM 1258 OG SER A 85 92.934 -16.917 2.322 1.00 0.00 O ATOM 0 H SER A 85 93.812 -14.546 2.915 1.00 0.00 H new ATOM 0 HA SER A 85 95.025 -16.865 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.221 -15.894 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.656 -17.564 1.376 1.00 0.00 H new ATOM 0 HG SER A 85 92.282 -16.451 1.757 1.00 0.00 H new ATOM 1264 N SER A 86 97.399 -17.059 3.273 1.00 0.00 N ATOM 1265 CA SER A 86 98.847 -17.147 2.921 1.00 0.00 C ATOM 1266 C SER A 86 99.011 -17.725 1.514 1.00 0.00 C ATOM 1267 O SER A 86 99.997 -17.487 0.845 1.00 0.00 O ATOM 1268 CB SER A 86 99.454 -18.089 3.960 1.00 0.00 C ATOM 1269 OG SER A 86 98.966 -19.406 3.743 1.00 0.00 O ATOM 0 H SER A 86 97.104 -17.646 4.054 1.00 0.00 H new ATOM 0 HA SER A 86 99.333 -16.171 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.542 -18.076 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.197 -17.755 4.965 1.00 0.00 H new ATOM 0 HG SER A 86 99.355 -20.013 4.407 1.00 0.00 H new ATOM 1275 N GLU A 87 98.051 -18.480 1.058 1.00 0.00 N ATOM 1276 CA GLU A 87 98.153 -19.067 -0.307 1.00 0.00 C ATOM 1277 C GLU A 87 98.375 -17.957 -1.334 1.00 0.00 C ATOM 1278 O GLU A 87 98.902 -18.182 -2.407 1.00 0.00 O ATOM 1279 CB GLU A 87 96.806 -19.750 -0.542 1.00 0.00 C ATOM 1280 CG GLU A 87 96.837 -21.158 0.055 1.00 0.00 C ATOM 1281 CD GLU A 87 96.707 -22.191 -1.066 1.00 0.00 C ATOM 1282 OE1 GLU A 87 97.586 -22.233 -1.911 1.00 0.00 O ATOM 1283 OE2 GLU A 87 95.730 -22.922 -1.061 1.00 0.00 O ATOM 0 H GLU A 87 97.201 -18.716 1.571 1.00 0.00 H new ATOM 0 HA GLU A 87 98.986 -19.764 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.006 -19.167 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.593 -19.801 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.768 -21.313 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.024 -21.279 0.771 1.00 0.00 H new ATOM 1290 N ASN A 88 97.970 -16.760 -1.014 1.00 0.00 N ATOM 1291 CA ASN A 88 98.148 -15.632 -1.967 1.00 0.00 C ATOM 1292 C ASN A 88 99.563 -15.645 -2.548 1.00 0.00 C ATOM 1293 O ASN A 88 100.528 -15.907 -1.858 1.00 0.00 O ATOM 1294 CB ASN A 88 97.920 -14.369 -1.136 1.00 0.00 C ATOM 1295 CG ASN A 88 96.430 -14.231 -0.819 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.725 -15.214 -0.719 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.917 -13.042 -0.657 1.00 0.00 N ATOM 0 H ASN A 88 97.522 -16.515 -0.131 1.00 0.00 H new ATOM 0 HA ASN A 88 97.460 -15.694 -2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.496 -14.419 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.269 -13.493 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.924 -12.939 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.509 -12.215 -0.741 1.00 0.00 H new ATOM 1304 N ASN A 89 99.693 -15.366 -3.815 1.00 0.00 N ATOM 1305 CA ASN A 89 101.045 -15.363 -4.441 1.00 0.00 C ATOM 1306 C ASN A 89 101.530 -13.927 -4.651 1.00 0.00 C ATOM 1307 O ASN A 89 100.908 -12.980 -4.212 1.00 0.00 O ATOM 1308 CB ASN A 89 100.859 -16.064 -5.786 1.00 0.00 C ATOM 1309 CG ASN A 89 99.765 -15.354 -6.584 1.00 0.00 C ATOM 1310 OD1 ASN A 89 99.216 -14.365 -6.138 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.420 -15.819 -7.753 1.00 0.00 N ATOM 0 H ASN A 89 98.922 -15.140 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 89 101.788 -15.861 -3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.795 -16.056 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.590 -17.109 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.690 -15.353 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.880 -16.649 -8.128 1.00 0.00 H new ATOM 1318 N ALA A 90 102.637 -13.761 -5.320 1.00 0.00 N ATOM 1319 CA ALA A 90 103.167 -12.390 -5.560 1.00 0.00 C ATOM 1320 C ALA A 90 102.031 -11.436 -5.940 1.00 0.00 C ATOM 1321 O ALA A 90 102.060 -10.264 -5.621 1.00 0.00 O ATOM 1322 CB ALA A 90 104.153 -12.545 -6.719 1.00 0.00 C ATOM 0 H ALA A 90 103.198 -14.517 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 90 103.643 -11.971 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.589 -11.575 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.944 -13.238 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.629 -12.933 -7.593 1.00 0.00 H new ATOM 1328 N CYS A 91 101.031 -11.926 -6.621 1.00 0.00 N ATOM 1329 CA CYS A 91 99.897 -11.041 -7.021 1.00 0.00 C ATOM 1330 C CYS A 91 98.819 -11.027 -5.935 1.00 0.00 C ATOM 1331 O CYS A 91 98.560 -10.013 -5.317 1.00 0.00 O ATOM 1332 CB CYS A 91 99.348 -11.657 -8.307 1.00 0.00 C ATOM 1333 SG CYS A 91 98.362 -10.422 -9.189 1.00 0.00 S ATOM 0 H CYS A 91 100.949 -12.898 -6.918 1.00 0.00 H new ATOM 0 HA CYS A 91 100.215 -10.008 -7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.168 -12.002 -8.937 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.736 -12.529 -8.074 1.00 0.00 H new ATOM 1338 N GLU A 92 98.187 -12.144 -5.699 1.00 0.00 N ATOM 1339 CA GLU A 92 97.126 -12.194 -4.653 1.00 0.00 C ATOM 1340 C GLU A 92 97.674 -11.651 -3.335 1.00 0.00 C ATOM 1341 O GLU A 92 96.942 -11.164 -2.496 1.00 0.00 O ATOM 1342 CB GLU A 92 96.772 -13.674 -4.519 1.00 0.00 C ATOM 1343 CG GLU A 92 95.277 -13.819 -4.230 1.00 0.00 C ATOM 1344 CD GLU A 92 94.805 -15.205 -4.674 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.263 -15.661 -5.710 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.996 -15.787 -3.971 1.00 0.00 O ATOM 0 H GLU A 92 98.359 -13.024 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 92 96.255 -11.592 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.029 -14.204 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 92 97.354 -14.126 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.086 -13.682 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 92 94.717 -13.046 -4.757 1.00 0.00 H new ATOM 1353 N ALA A 93 98.962 -11.729 -3.151 1.00 0.00 N ATOM 1354 CA ALA A 93 99.568 -11.215 -1.890 1.00 0.00 C ATOM 1355 C ALA A 93 99.749 -9.699 -1.980 1.00 0.00 C ATOM 1356 O ALA A 93 99.442 -8.970 -1.058 1.00 0.00 O ATOM 1357 CB ALA A 93 100.922 -11.915 -1.784 1.00 0.00 C ATOM 0 H ALA A 93 99.622 -12.127 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 93 98.944 -11.411 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.431 -11.587 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.772 -12.994 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.530 -11.664 -2.653 1.00 0.00 H new ATOM 1363 N PHE A 94 100.240 -9.216 -3.090 1.00 0.00 N ATOM 1364 CA PHE A 94 100.434 -7.747 -3.242 1.00 0.00 C ATOM 1365 C PHE A 94 99.085 -7.033 -3.124 1.00 0.00 C ATOM 1366 O PHE A 94 98.972 -5.992 -2.510 1.00 0.00 O ATOM 1367 CB PHE A 94 101.022 -7.566 -4.642 1.00 0.00 C ATOM 1368 CG PHE A 94 101.575 -6.169 -4.781 1.00 0.00 C ATOM 1369 CD1 PHE A 94 102.718 -5.794 -4.064 1.00 0.00 C ATOM 1370 CD2 PHE A 94 100.947 -5.248 -5.627 1.00 0.00 C ATOM 1371 CE1 PHE A 94 103.231 -4.498 -4.193 1.00 0.00 C ATOM 1372 CE2 PHE A 94 101.460 -3.952 -5.756 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.603 -3.578 -5.039 1.00 0.00 C ATOM 0 H PHE A 94 100.515 -9.776 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 94 101.087 -7.329 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.810 -8.299 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.254 -7.741 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 94 103.204 -6.505 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 94 100.066 -5.537 -6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 94 104.112 -4.208 -3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 94 100.974 -3.241 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.000 -2.579 -5.139 1.00 0.00 H new ATOM 1383 N ILE A 95 98.059 -7.594 -3.703 1.00 0.00 N ATOM 1384 CA ILE A 95 96.714 -6.956 -3.619 1.00 0.00 C ATOM 1385 C ILE A 95 96.224 -6.966 -2.169 1.00 0.00 C ATOM 1386 O ILE A 95 95.728 -5.978 -1.665 1.00 0.00 O ATOM 1387 CB ILE A 95 95.811 -7.823 -4.497 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.307 -7.774 -5.944 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.377 -7.296 -4.434 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.732 -8.959 -6.720 1.00 0.00 C ATOM 0 H ILE A 95 98.093 -8.466 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 95 96.723 -5.917 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 95 95.836 -8.852 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 95 96.004 -6.837 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.396 -7.804 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.734 -7.915 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.022 -7.330 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.351 -6.267 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.085 -8.925 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 95 96.057 -9.890 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.643 -8.908 -6.707 1.00 0.00 H new ATOM 1402 N CYS A 96 96.368 -8.074 -1.493 1.00 0.00 N ATOM 1403 CA CYS A 96 95.921 -8.148 -0.073 1.00 0.00 C ATOM 1404 C CYS A 96 96.713 -7.148 0.772 1.00 0.00 C ATOM 1405 O CYS A 96 96.272 -6.716 1.819 1.00 0.00 O ATOM 1406 CB CYS A 96 96.229 -9.580 0.363 1.00 0.00 C ATOM 1407 SG CYS A 96 94.757 -10.315 1.119 1.00 0.00 S ATOM 0 H CYS A 96 96.776 -8.932 -1.864 1.00 0.00 H new ATOM 0 HA CYS A 96 94.865 -7.906 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 96 96.543 -10.173 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.056 -9.585 1.073 1.00 0.00 H new ATOM 1412 N ASN A 97 97.879 -6.778 0.319 1.00 0.00 N ATOM 1413 CA ASN A 97 98.707 -5.806 1.088 1.00 0.00 C ATOM 1414 C ASN A 97 98.222 -4.378 0.822 1.00 0.00 C ATOM 1415 O ASN A 97 98.393 -3.493 1.634 1.00 0.00 O ATOM 1416 CB ASN A 97 100.130 -6.001 0.566 1.00 0.00 C ATOM 1417 CG ASN A 97 100.821 -7.099 1.367 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.228 -7.698 2.242 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.061 -7.390 1.100 1.00 0.00 N ATOM 0 H ASN A 97 98.295 -7.107 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 97 98.645 -5.965 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.108 -6.267 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.690 -5.069 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.538 -8.123 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.556 -6.885 0.365 1.00 0.00 H new ATOM 1426 N CYS A 98 97.609 -4.151 -0.308 1.00 0.00 N ATOM 1427 CA CYS A 98 97.105 -2.784 -0.621 1.00 0.00 C ATOM 1428 C CYS A 98 95.928 -2.449 0.297 1.00 0.00 C ATOM 1429 O CYS A 98 95.924 -1.444 0.980 1.00 0.00 O ATOM 1430 CB CYS A 98 96.647 -2.854 -2.078 1.00 0.00 C ATOM 1431 SG CYS A 98 98.000 -3.473 -3.110 1.00 0.00 S ATOM 0 H CYS A 98 97.436 -4.853 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 98 97.862 -2.013 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.780 -3.509 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.337 -1.867 -2.420 1.00 0.00 H new ATOM 1436 N ASP A 99 94.933 -3.292 0.319 1.00 0.00 N ATOM 1437 CA ASP A 99 93.754 -3.037 1.194 1.00 0.00 C ATOM 1438 C ASP A 99 94.139 -3.238 2.662 1.00 0.00 C ATOM 1439 O ASP A 99 93.632 -2.576 3.547 1.00 0.00 O ATOM 1440 CB ASP A 99 92.718 -4.077 0.771 1.00 0.00 C ATOM 1441 CG ASP A 99 92.124 -3.689 -0.584 1.00 0.00 C ATOM 1442 OD1 ASP A 99 91.381 -2.722 -0.628 1.00 0.00 O ATOM 1443 OD2 ASP A 99 92.422 -4.364 -1.555 1.00 0.00 O ATOM 0 H ASP A 99 94.885 -4.149 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 99 93.377 -2.019 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.181 -5.062 0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.929 -4.144 1.520 1.00 0.00 H new ATOM 1448 N ARG A 100 95.036 -4.148 2.924 1.00 0.00 N ATOM 1449 CA ARG A 100 95.464 -4.398 4.329 1.00 0.00 C ATOM 1450 C ARG A 100 96.114 -3.140 4.904 1.00 0.00 C ATOM 1451 O ARG A 100 95.641 -2.564 5.863 1.00 0.00 O ATOM 1452 CB ARG A 100 96.487 -5.532 4.227 1.00 0.00 C ATOM 1453 CG ARG A 100 97.207 -5.704 5.566 1.00 0.00 C ATOM 1454 CD ARG A 100 96.305 -6.470 6.540 1.00 0.00 C ATOM 1455 NE ARG A 100 96.405 -7.897 6.132 1.00 0.00 N ATOM 1456 CZ ARG A 100 97.573 -8.453 5.963 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.201 -8.973 6.981 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.114 -8.489 4.775 1.00 0.00 N ATOM 0 H ARG A 100 95.493 -4.731 2.223 1.00 0.00 H new ATOM 0 HA ARG A 100 94.631 -4.656 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.988 -6.461 3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.210 -5.312 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 100 98.143 -6.243 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 100 97.462 -4.729 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 100 96.633 -6.332 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 100 95.276 -6.116 6.483 1.00 0.00 H new ATOM 0 HE ARG A 100 95.556 -8.443 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 100 97.779 -8.945 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.114 -9.408 6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.623 -8.082 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.027 -8.924 4.643 1.00 0.00 H new ATOM 1472 N ASN A 101 97.194 -2.712 4.318 1.00 0.00 N ATOM 1473 CA ASN A 101 97.883 -1.489 4.814 1.00 0.00 C ATOM 1474 C ASN A 101 96.917 -0.301 4.812 1.00 0.00 C ATOM 1475 O ASN A 101 97.100 0.664 5.529 1.00 0.00 O ATOM 1476 CB ASN A 101 99.024 -1.260 3.825 1.00 0.00 C ATOM 1477 CG ASN A 101 100.277 -1.980 4.310 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.249 -2.674 5.308 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.384 -1.843 3.641 1.00 0.00 N ATOM 0 H ASN A 101 97.632 -3.158 3.512 1.00 0.00 H new ATOM 0 HA ASN A 101 98.244 -1.598 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.742 -1.626 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.222 -0.193 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.231 -2.318 3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.405 -1.260 2.804 1.00 0.00 H new ATOM 1486 N ALA A 102 95.889 -0.363 4.012 1.00 0.00 N ATOM 1487 CA ALA A 102 94.911 0.762 3.961 1.00 0.00 C ATOM 1488 C ALA A 102 94.055 0.777 5.230 1.00 0.00 C ATOM 1489 O ALA A 102 93.906 1.795 5.878 1.00 0.00 O ATOM 1490 CB ALA A 102 94.046 0.481 2.731 1.00 0.00 C ATOM 0 H ALA A 102 95.683 -1.145 3.390 1.00 0.00 H new ATOM 0 HA ALA A 102 95.402 1.733 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.299 1.267 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.676 0.455 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.546 -0.480 2.850 1.00 0.00 H new ATOM 1496 N ALA A 103 93.493 -0.343 5.594 1.00 0.00 N ATOM 1497 CA ALA A 103 92.650 -0.388 6.825 1.00 0.00 C ATOM 1498 C ALA A 103 93.510 -0.114 8.060 1.00 0.00 C ATOM 1499 O ALA A 103 93.059 0.467 9.027 1.00 0.00 O ATOM 1500 CB ALA A 103 92.087 -1.808 6.868 1.00 0.00 C ATOM 0 H ALA A 103 93.580 -1.228 5.094 1.00 0.00 H new ATOM 0 HA ALA A 103 91.859 0.362 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.454 -1.922 7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.497 -1.993 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.908 -2.524 6.917 1.00 0.00 H new ATOM 1506 N ILE A 104 94.748 -0.529 8.034 1.00 0.00 N ATOM 1507 CA ILE A 104 95.640 -0.295 9.206 1.00 0.00 C ATOM 1508 C ILE A 104 95.966 1.196 9.337 1.00 0.00 C ATOM 1509 O ILE A 104 96.072 1.725 10.426 1.00 0.00 O ATOM 1510 CB ILE A 104 96.906 -1.096 8.904 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.557 -2.582 8.792 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.918 -0.897 10.034 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.635 -3.301 7.979 1.00 0.00 C ATOM 0 H ILE A 104 95.180 -1.020 7.251 1.00 0.00 H new ATOM 0 HA ILE A 104 95.177 -0.600 10.144 1.00 0.00 H new ATOM 0 HB ILE A 104 97.336 -0.751 7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.481 -3.024 9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.585 -2.703 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.821 -1.468 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.169 0.161 10.116 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.486 -1.241 10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.386 -4.359 7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.690 -2.865 6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.599 -3.192 8.476 1.00 0.00 H new ATOM 1525 N CYS A 105 96.130 1.878 8.237 1.00 0.00 N ATOM 1526 CA CYS A 105 96.456 3.330 8.307 1.00 0.00 C ATOM 1527 C CYS A 105 95.275 4.099 8.909 1.00 0.00 C ATOM 1528 O CYS A 105 95.450 5.003 9.702 1.00 0.00 O ATOM 1529 CB CYS A 105 96.695 3.752 6.857 1.00 0.00 C ATOM 1530 SG CYS A 105 97.703 5.258 6.823 1.00 0.00 S ATOM 0 H CYS A 105 96.053 1.494 7.295 1.00 0.00 H new ATOM 0 HA CYS A 105 97.323 3.535 8.934 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.198 2.953 6.313 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.743 3.928 6.357 1.00 0.00 H new ATOM 1535 N PHE A 106 94.073 3.742 8.541 1.00 0.00 N ATOM 1536 CA PHE A 106 92.886 4.444 9.094 1.00 0.00 C ATOM 1537 C PHE A 106 92.880 4.327 10.618 1.00 0.00 C ATOM 1538 O PHE A 106 92.639 5.282 11.328 1.00 0.00 O ATOM 1539 CB PHE A 106 91.676 3.713 8.510 1.00 0.00 C ATOM 1540 CG PHE A 106 91.715 3.760 7.001 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.418 4.775 6.341 1.00 0.00 C ATOM 1542 CD2 PHE A 106 91.033 2.787 6.261 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.440 4.813 4.941 1.00 0.00 C ATOM 1544 CE2 PHE A 106 91.054 2.827 4.863 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.757 3.840 4.203 1.00 0.00 C ATOM 0 H PHE A 106 93.865 2.993 7.880 1.00 0.00 H new ATOM 0 HA PHE A 106 92.882 5.505 8.843 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.670 2.677 8.849 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.756 4.172 8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.943 5.528 6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.490 2.004 6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.984 5.594 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.527 2.076 4.293 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.773 3.871 3.124 1.00 0.00 H new ATOM 1555 N SER A 107 93.142 3.152 11.121 1.00 0.00 N ATOM 1556 CA SER A 107 93.152 2.955 12.599 1.00 0.00 C ATOM 1557 C SER A 107 94.437 3.528 13.199 1.00 0.00 C ATOM 1558 O SER A 107 94.594 3.598 14.402 1.00 0.00 O ATOM 1559 CB SER A 107 93.093 1.440 12.797 1.00 0.00 C ATOM 1560 OG SER A 107 94.331 0.866 12.399 1.00 0.00 O ATOM 0 H SER A 107 93.350 2.318 10.572 1.00 0.00 H new ATOM 0 HA SER A 107 92.321 3.461 13.090 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.890 1.206 13.842 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.277 1.016 12.211 1.00 0.00 H new ATOM 0 HG SER A 107 94.718 1.396 11.671 1.00 0.00 H new ATOM 1566 N LYS A 108 95.357 3.938 12.370 1.00 0.00 N ATOM 1567 CA LYS A 108 96.632 4.507 12.894 1.00 0.00 C ATOM 1568 C LYS A 108 96.644 6.027 12.714 1.00 0.00 C ATOM 1569 O LYS A 108 97.591 6.697 13.077 1.00 0.00 O ATOM 1570 CB LYS A 108 97.731 3.860 12.051 1.00 0.00 C ATOM 1571 CG LYS A 108 98.076 2.486 12.628 1.00 0.00 C ATOM 1572 CD LYS A 108 99.444 2.547 13.309 1.00 0.00 C ATOM 1573 CE LYS A 108 100.098 1.163 13.272 1.00 0.00 C ATOM 1574 NZ LYS A 108 99.726 0.514 14.565 1.00 0.00 N ATOM 0 H LYS A 108 95.282 3.904 11.353 1.00 0.00 H new ATOM 0 HA LYS A 108 96.766 4.311 13.958 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.399 3.759 11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.617 4.495 12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.314 2.179 13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.086 1.739 11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.080 3.275 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.333 2.881 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 108 99.739 0.581 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 108 101.180 1.242 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 100.141 -0.439 14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.087 1.084 15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 98.691 0.444 14.633 1.00 0.00 H new ATOM 1588 N VAL A 109 95.600 6.577 12.155 1.00 0.00 N ATOM 1589 CA VAL A 109 95.554 8.054 11.951 1.00 0.00 C ATOM 1590 C VAL A 109 94.178 8.602 12.344 1.00 0.00 C ATOM 1591 O VAL A 109 93.215 7.866 12.427 1.00 0.00 O ATOM 1592 CB VAL A 109 95.802 8.255 10.456 1.00 0.00 C ATOM 1593 CG1 VAL A 109 97.174 7.691 10.084 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.721 7.524 9.658 1.00 0.00 C ATOM 0 H VAL A 109 94.778 6.068 11.831 1.00 0.00 H new ATOM 0 HA VAL A 109 96.290 8.577 12.562 1.00 0.00 H new ATOM 0 HB VAL A 109 95.771 9.320 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.350 7.835 9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.947 8.209 10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 109 97.205 6.627 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.897 7.667 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.753 6.460 9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.742 7.924 9.921 1.00 0.00 H new ATOM 1604 N PRO A 110 94.139 9.887 12.575 1.00 0.00 N ATOM 1605 CA PRO A 110 92.873 10.555 12.966 1.00 0.00 C ATOM 1606 C PRO A 110 91.929 10.656 11.765 1.00 0.00 C ATOM 1607 O PRO A 110 92.321 10.437 10.636 1.00 0.00 O ATOM 1608 CB PRO A 110 93.326 11.941 13.416 1.00 0.00 C ATOM 1609 CG PRO A 110 94.619 12.175 12.702 1.00 0.00 C ATOM 1610 CD PRO A 110 95.259 10.828 12.494 1.00 0.00 C ATOM 0 HA PRO A 110 92.325 10.017 13.739 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.589 12.701 13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.459 11.981 14.497 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.447 12.672 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.270 12.825 13.287 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.761 10.769 11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.010 10.621 13.256 1.00 0.00 H new ATOM 1618 N TYR A 111 90.688 10.985 12.001 1.00 0.00 N ATOM 1619 CA TYR A 111 89.721 11.101 10.872 1.00 0.00 C ATOM 1620 C TYR A 111 88.927 12.405 10.989 1.00 0.00 C ATOM 1621 O TYR A 111 88.266 12.655 11.978 1.00 0.00 O ATOM 1622 CB TYR A 111 88.796 9.890 11.020 1.00 0.00 C ATOM 1623 CG TYR A 111 87.547 10.100 10.197 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.649 10.386 8.830 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.286 10.011 10.800 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.493 10.581 8.067 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.129 10.205 10.036 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.233 10.491 8.670 1.00 0.00 C ATOM 1629 OH TYR A 111 84.093 10.683 7.917 1.00 0.00 O ATOM 0 H TYR A 111 90.302 11.178 12.925 1.00 0.00 H new ATOM 0 HA TYR A 111 90.216 11.119 9.901 1.00 0.00 H new ATOM 0 HB2 TYR A 111 89.310 8.986 10.694 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.533 9.747 12.068 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.621 10.456 8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.206 9.793 11.855 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.573 10.801 7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.157 10.134 10.501 1.00 0.00 H new ATOM 0 HH TYR A 111 83.303 10.585 8.489 1.00 0.00 H new ATOM 1639 N ASN A 112 88.987 13.238 9.987 1.00 0.00 N ATOM 1640 CA ASN A 112 88.234 14.525 10.042 1.00 0.00 C ATOM 1641 C ASN A 112 86.874 14.370 9.360 1.00 0.00 C ATOM 1642 O ASN A 112 86.772 14.354 8.149 1.00 0.00 O ATOM 1643 CB ASN A 112 89.104 15.527 9.283 1.00 0.00 C ATOM 1644 CG ASN A 112 90.282 15.949 10.162 1.00 0.00 C ATOM 1645 OD1 ASN A 112 91.497 15.645 9.795 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 90.095 16.564 11.194 1.00 0.00 N flip ATOM 0 H ASN A 112 89.524 13.085 9.133 1.00 0.00 H new ATOM 0 HA ASN A 112 88.041 14.847 11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.469 15.081 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.513 16.400 9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 112 89.146 16.802 11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 112 90.888 16.842 11.773 1.00 0.00 H new ATOM 1653 N LYS A 113 85.828 14.255 10.130 1.00 0.00 N ATOM 1654 CA LYS A 113 84.471 14.102 9.531 1.00 0.00 C ATOM 1655 C LYS A 113 84.211 15.222 8.520 1.00 0.00 C ATOM 1656 O LYS A 113 83.534 15.033 7.528 1.00 0.00 O ATOM 1657 CB LYS A 113 83.507 14.211 10.712 1.00 0.00 C ATOM 1658 CG LYS A 113 82.709 12.914 10.846 1.00 0.00 C ATOM 1659 CD LYS A 113 82.045 12.863 12.223 1.00 0.00 C ATOM 1660 CE LYS A 113 80.572 13.259 12.098 1.00 0.00 C ATOM 1661 NZ LYS A 113 80.487 14.619 12.700 1.00 0.00 N ATOM 0 H LYS A 113 85.853 14.260 11.150 1.00 0.00 H new ATOM 0 HA LYS A 113 84.357 13.159 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 113 84.062 14.405 11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 113 82.830 15.053 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 113 81.952 12.858 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 113 83.367 12.055 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.128 11.860 12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.556 13.538 12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 113 80.253 13.268 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 113 79.928 12.554 12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 79.505 14.959 12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 80.791 14.578 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 81.105 15.270 12.175 1.00 0.00 H new ATOM 1675 N GLU A 114 84.737 16.389 8.770 1.00 0.00 N ATOM 1676 CA GLU A 114 84.518 17.523 7.836 1.00 0.00 C ATOM 1677 C GLU A 114 85.167 17.234 6.480 1.00 0.00 C ATOM 1678 O GLU A 114 84.690 17.663 5.448 1.00 0.00 O ATOM 1679 CB GLU A 114 85.184 18.724 8.507 1.00 0.00 C ATOM 1680 CG GLU A 114 84.576 20.016 7.959 1.00 0.00 C ATOM 1681 CD GLU A 114 83.242 20.289 8.657 1.00 0.00 C ATOM 1682 OE1 GLU A 114 83.265 20.588 9.839 1.00 0.00 O ATOM 1683 OE2 GLU A 114 82.220 20.193 7.998 1.00 0.00 O ATOM 0 H GLU A 114 85.311 16.604 9.585 1.00 0.00 H new ATOM 0 HA GLU A 114 83.459 17.698 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.045 18.674 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.258 18.708 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 114 85.260 20.849 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.425 19.931 6.883 1.00 0.00 H new ATOM 1690 N HIS A 115 86.256 16.515 6.475 1.00 0.00 N ATOM 1691 CA HIS A 115 86.937 16.202 5.187 1.00 0.00 C ATOM 1692 C HIS A 115 86.148 15.143 4.411 1.00 0.00 C ATOM 1693 O HIS A 115 86.504 14.773 3.311 1.00 0.00 O ATOM 1694 CB HIS A 115 88.307 15.659 5.589 1.00 0.00 C ATOM 1695 CG HIS A 115 89.293 16.791 5.683 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.202 17.139 6.651 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 89.425 17.742 4.683 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 90.888 18.284 6.261 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 90.381 18.606 5.067 1.00 0.00 N flip ATOM 0 H HIS A 115 86.704 16.131 7.307 1.00 0.00 H new ATOM 0 HA HIS A 115 87.015 17.075 4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.238 15.144 6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.648 14.927 4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.862 17.782 3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.664 18.802 6.806 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.682 19.409 4.515 1.00 0.00 H new ATOM 1707 N LYS A 116 85.082 14.648 4.978 1.00 0.00 N ATOM 1708 CA LYS A 116 84.277 13.616 4.286 1.00 0.00 C ATOM 1709 C LYS A 116 83.442 14.243 3.165 1.00 0.00 C ATOM 1710 O LYS A 116 82.908 15.326 3.306 1.00 0.00 O ATOM 1711 CB LYS A 116 83.378 13.062 5.384 1.00 0.00 C ATOM 1712 CG LYS A 116 83.147 11.574 5.151 1.00 0.00 C ATOM 1713 CD LYS A 116 81.985 11.093 6.021 1.00 0.00 C ATOM 1714 CE LYS A 116 80.745 10.886 5.148 1.00 0.00 C ATOM 1715 NZ LYS A 116 80.130 12.237 5.030 1.00 0.00 N ATOM 0 H LYS A 116 84.736 14.920 5.898 1.00 0.00 H new ATOM 0 HA LYS A 116 84.889 12.848 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.838 13.221 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.425 13.592 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.928 11.390 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 116 84.051 11.013 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 116 82.252 10.161 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 116 81.775 11.824 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 116 81.013 10.487 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.055 10.176 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 79.158 12.146 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 80.113 12.693 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 80.689 12.817 4.372 1.00 0.00 H new ATOM 1729 N ASN A 117 83.323 13.569 2.054 1.00 0.00 N ATOM 1730 CA ASN A 117 82.522 14.123 0.925 1.00 0.00 C ATOM 1731 C ASN A 117 82.922 15.576 0.654 1.00 0.00 C ATOM 1732 O ASN A 117 82.097 16.467 0.656 1.00 0.00 O ATOM 1733 CB ASN A 117 81.069 14.046 1.394 1.00 0.00 C ATOM 1734 CG ASN A 117 80.473 12.694 0.997 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.999 11.600 1.473 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 79.519 12.633 0.248 1.00 0.00 N flip ATOM 0 H ASN A 117 83.746 12.658 1.879 1.00 0.00 H new ATOM 0 HA ASN A 117 82.681 13.572 -0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.018 14.174 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.489 14.855 0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.107 13.489 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.129 11.726 -0.009 1.00 0.00 H new ATOM 1743 N LEU A 118 84.181 15.819 0.422 1.00 0.00 N ATOM 1744 CA LEU A 118 84.644 17.184 0.153 1.00 0.00 C ATOM 1745 C LEU A 118 84.355 17.535 -1.310 1.00 0.00 C ATOM 1746 O LEU A 118 83.939 16.703 -2.090 1.00 0.00 O ATOM 1747 CB LEU A 118 86.140 17.088 0.451 1.00 0.00 C ATOM 1748 CG LEU A 118 86.922 18.137 -0.315 1.00 0.00 C ATOM 1749 CD1 LEU A 118 86.719 19.513 0.325 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.410 17.783 -0.280 1.00 0.00 C ATOM 0 H LEU A 118 84.913 15.108 0.410 1.00 0.00 H new ATOM 0 HA LEU A 118 84.160 17.964 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.309 17.214 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.503 16.095 0.186 1.00 0.00 H new ATOM 0 HG LEU A 118 86.569 18.164 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.284 20.260 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 118 85.660 19.771 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.068 19.489 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 118 88.976 18.535 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.753 17.755 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.563 16.806 -0.739 1.00 0.00 H new ATOM 1762 N ASP A 119 84.568 18.759 -1.681 1.00 0.00 N ATOM 1763 CA ASP A 119 84.303 19.177 -3.089 1.00 0.00 C ATOM 1764 C ASP A 119 85.533 18.926 -3.963 1.00 0.00 C ATOM 1765 O ASP A 119 86.614 19.403 -3.680 1.00 0.00 O ATOM 1766 CB ASP A 119 84.001 20.672 -3.009 1.00 0.00 C ATOM 1767 CG ASP A 119 83.293 21.122 -4.288 1.00 0.00 C ATOM 1768 OD1 ASP A 119 82.645 20.294 -4.906 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.413 22.287 -4.629 1.00 0.00 O ATOM 0 H ASP A 119 84.917 19.498 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 119 83.481 18.616 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.374 20.881 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 119 84.926 21.233 -2.877 1.00 0.00 H new ATOM 1774 N LYS A 120 85.375 18.188 -5.027 1.00 0.00 N ATOM 1775 CA LYS A 120 86.533 17.915 -5.919 1.00 0.00 C ATOM 1776 C LYS A 120 87.324 19.202 -6.146 1.00 0.00 C ATOM 1777 O LYS A 120 88.510 19.178 -6.414 1.00 0.00 O ATOM 1778 CB LYS A 120 85.919 17.427 -7.232 1.00 0.00 C ATOM 1779 CG LYS A 120 85.461 15.975 -7.077 1.00 0.00 C ATOM 1780 CD LYS A 120 84.567 15.596 -8.259 1.00 0.00 C ATOM 1781 CE LYS A 120 84.240 14.102 -8.197 1.00 0.00 C ATOM 1782 NZ LYS A 120 84.122 13.675 -9.619 1.00 0.00 N ATOM 0 H LYS A 120 84.494 17.763 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 120 87.220 17.182 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.074 18.058 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.649 17.504 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.325 15.312 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.917 15.852 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 120 83.648 16.181 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 120 85.069 15.830 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.024 13.547 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 120 83.313 13.923 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 83.898 12.660 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 83.363 14.215 -10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 85.022 13.851 -10.110 1.00 0.00 H new ATOM 1796 N LYS A 121 86.675 20.328 -6.040 1.00 0.00 N ATOM 1797 CA LYS A 121 87.384 21.623 -6.248 1.00 0.00 C ATOM 1798 C LYS A 121 88.447 21.820 -5.178 1.00 0.00 C ATOM 1799 O LYS A 121 89.343 22.630 -5.307 1.00 0.00 O ATOM 1800 CB LYS A 121 86.305 22.686 -6.113 1.00 0.00 C ATOM 1801 CG LYS A 121 85.797 23.070 -7.498 1.00 0.00 C ATOM 1802 CD LYS A 121 84.482 23.838 -7.362 1.00 0.00 C ATOM 1803 CE LYS A 121 83.539 23.443 -8.500 1.00 0.00 C ATOM 1804 NZ LYS A 121 82.402 24.401 -8.406 1.00 0.00 N ATOM 0 H LYS A 121 85.683 20.408 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 121 87.888 21.664 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.483 22.310 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 121 86.705 23.563 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.537 23.683 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.648 22.176 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 121 84.019 23.619 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 121 84.671 24.911 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.036 23.514 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 121 83.198 22.413 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 81.711 24.194 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 81.944 24.306 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 82.756 25.372 -8.520 1.00 0.00 H new ATOM 1818 N ASN A 122 88.363 21.059 -4.139 1.00 0.00 N ATOM 1819 CA ASN A 122 89.373 21.152 -3.055 1.00 0.00 C ATOM 1820 C ASN A 122 90.406 20.061 -3.276 1.00 0.00 C ATOM 1821 O ASN A 122 91.424 19.988 -2.616 1.00 0.00 O ATOM 1822 CB ASN A 122 88.593 20.888 -1.776 1.00 0.00 C ATOM 1823 CG ASN A 122 88.084 22.209 -1.201 1.00 0.00 C ATOM 1824 OD1 ASN A 122 86.976 22.720 -1.661 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 88.701 22.782 -0.325 1.00 0.00 N flip ATOM 0 H ASN A 122 87.630 20.366 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 122 89.889 22.112 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 122 87.754 20.222 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 122 89.229 20.385 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 122 89.568 22.381 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 122 88.352 23.664 0.051 1.00 0.00 H new ATOM 1832 N CYS A 123 90.122 19.206 -4.209 1.00 0.00 N ATOM 1833 CA CYS A 123 91.036 18.083 -4.521 1.00 0.00 C ATOM 1834 C CYS A 123 91.823 18.373 -5.803 1.00 0.00 C ATOM 1835 O CYS A 123 91.260 18.987 -6.695 1.00 0.00 O ATOM 1836 CB CYS A 123 90.092 16.901 -4.718 1.00 0.00 C ATOM 1837 SG CYS A 123 89.872 16.033 -3.145 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.974 17.974 -5.870 1.00 0.00 O ATOM 0 H CYS A 123 89.278 19.239 -4.780 1.00 0.00 H new ATOM 0 HA CYS A 123 91.779 17.905 -3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.129 17.250 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.496 16.220 -5.467 1.00 0.00 H new