USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Set 2.1: A 48 HIS : no HE2:sc= -0.208 K(o=0.79,f=-3.6!) USER MOD Set 2.2: A 52 TYR OH : rot 71:sc= 0.999 USER MOD Set 3.1: A 28 TYR OH : rot 158:sc= 0.682 USER MOD Set 3.2: A 46 GLN : amide:sc= -3.23 K(o=-2.5,f=-6.5!) USER MOD Set 4.1: A 8 MET CE :methyl 141:sc= -0.268 (180deg=-0.53) USER MOD Set 4.2: A 73 TYR OH : rot -152:sc= 0.815 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.36! X(o=-2.4!,f=-2.3) USER MOD Single : A 6 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= 0.948 (180deg=0.0727) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 16 SER OG : rot -90:sc= 1.04 USER MOD Single : A 23 ASN : amide:sc= 0.493 K(o=0.49,f=-3.8!) USER MOD Single : A 24 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.41!) USER MOD Single : A 25 TYR OH : rot 130:sc= -0.405 USER MOD Single : A 34 SER OG : rot 48:sc= 0.229 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 50 ASN : amide:sc= -0.0609 K(o=-0.061,f=-2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,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 -150:sc= -0.593 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -53:sc= 1.16 USER MOD Single : A 71 ASN :FLIP amide:sc= 0.0617 F(o=-1.7,f=0.062) USER MOD Single : A 72 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.082) USER MOD Single : A 74 SER OG : rot 180:sc= -0.127 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0635 F(o=-0.65,f=-0.064) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 73:sc= -1.45! USER MOD Single : A 86 SER OG : rot 180:sc= 0.104 USER MOD Single : A 88 ASN : amide:sc= -1.95! C(o=-1.9!,f=-8.9!) USER MOD Single : A 89 ASN : amide:sc= -2.01! C(o=-2!,f=-15!) USER MOD Single : A 97 ASN : amide:sc= -0.0672 K(o=-0.067,f=-2.2!) USER MOD Single : A 101 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.5!) USER MOD Single : A 107 SER OG : rot -44:sc= 0.384 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 89:sc= 0.22 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0617 F(o=-0.57,f=-0.062) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.059) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN :FLIP amide:sc= -0.269 F(o=-2.4,f=-0.27) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= -0.031 (180deg=-0.598) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 85.185 -10.050 -5.366 1.00 0.00 N ATOM 2 CA ALA A 1 85.310 -9.056 -6.471 1.00 0.00 C ATOM 3 C ALA A 1 85.970 -7.775 -5.956 1.00 0.00 C ATOM 4 O ALA A 1 86.870 -7.239 -6.570 1.00 0.00 O ATOM 5 CB ALA A 1 83.875 -8.778 -6.918 1.00 0.00 C ATOM 0 H1 ALA A 1 84.736 -10.916 -5.727 1.00 0.00 H new ATOM 0 H2 ALA A 1 86.130 -10.279 -4.996 1.00 0.00 H new ATOM 0 H3 ALA A 1 84.602 -9.650 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 1 85.927 -9.424 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 1 83.881 -8.053 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 1 83.415 -9.705 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 1 83.304 -8.378 -6.080 1.00 0.00 H new ATOM 13 N LEU A 2 85.528 -7.280 -4.832 1.00 0.00 N ATOM 14 CA LEU A 2 86.130 -6.032 -4.280 1.00 0.00 C ATOM 15 C LEU A 2 85.652 -5.796 -2.844 1.00 0.00 C ATOM 16 O LEU A 2 86.375 -5.273 -2.017 1.00 0.00 O ATOM 17 CB LEU A 2 85.633 -4.915 -5.197 1.00 0.00 C ATOM 18 CG LEU A 2 86.085 -3.564 -4.642 1.00 0.00 C ATOM 19 CD1 LEU A 2 87.107 -2.940 -5.594 1.00 0.00 C ATOM 20 CD2 LEU A 2 84.876 -2.636 -4.513 1.00 0.00 C ATOM 0 H LEU A 2 84.777 -7.685 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 2 87.218 -6.082 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 2 86.024 -5.056 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 2 84.546 -4.946 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 2 86.540 -3.707 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 2 87.430 -1.977 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 2 87.968 -3.601 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 2 86.651 -2.797 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 2 85.197 -1.673 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 2 84.421 -2.492 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 2 84.146 -3.081 -3.836 1.00 0.00 H new ATOM 32 N TRP A 3 84.439 -6.170 -2.538 1.00 0.00 N ATOM 33 CA TRP A 3 83.921 -5.959 -1.157 1.00 0.00 C ATOM 34 C TRP A 3 84.905 -6.525 -0.127 1.00 0.00 C ATOM 35 O TRP A 3 84.882 -6.159 1.031 1.00 0.00 O ATOM 36 CB TRP A 3 82.590 -6.710 -1.107 1.00 0.00 C ATOM 37 CG TRP A 3 82.842 -8.183 -1.132 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.316 -8.873 -2.193 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.637 -9.156 -0.069 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.418 -10.208 -1.848 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.011 -10.432 -0.549 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.169 -9.056 1.253 1.00 0.00 C ATOM 43 CZ2 TRP A 3 82.924 -11.570 0.252 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.079 -10.199 2.064 1.00 0.00 C ATOM 45 CH2 TRP A 3 82.456 -11.453 1.563 1.00 0.00 C ATOM 0 H TRP A 3 83.785 -6.612 -3.184 1.00 0.00 H new ATOM 0 HA TRP A 3 83.795 -4.902 -0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 3 82.043 -6.440 -0.204 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.967 -6.423 -1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.573 -8.451 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.753 -10.938 -2.477 1.00 0.00 H new ATOM 0 HE3 TRP A 3 81.877 -8.094 1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.216 -12.534 -0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 81.718 -10.112 3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 3 82.385 -12.329 2.191 1.00 0.00 H new ATOM 56 N GLN A 4 85.774 -7.408 -0.538 1.00 0.00 N ATOM 57 CA GLN A 4 86.758 -7.981 0.424 1.00 0.00 C ATOM 58 C GLN A 4 87.568 -6.851 1.065 1.00 0.00 C ATOM 59 O GLN A 4 87.959 -6.923 2.215 1.00 0.00 O ATOM 60 CB GLN A 4 87.668 -8.878 -0.419 1.00 0.00 C ATOM 61 CG GLN A 4 86.864 -10.064 -0.960 1.00 0.00 C ATOM 62 CD GLN A 4 87.100 -11.289 -0.073 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.265 -11.163 1.124 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.124 -12.477 -0.613 1.00 0.00 N ATOM 0 H GLN A 4 85.845 -7.756 -1.494 1.00 0.00 H new ATOM 0 HA GLN A 4 86.278 -8.537 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 4 88.094 -8.308 -1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.502 -9.236 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.803 -9.817 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 4 87.162 -10.282 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.985 -12.583 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.281 -13.299 -0.030 1.00 0.00 H new ATOM 73 N PHE A 5 87.816 -5.804 0.326 1.00 0.00 N ATOM 74 CA PHE A 5 88.595 -4.660 0.881 1.00 0.00 C ATOM 75 C PHE A 5 87.839 -4.028 2.053 1.00 0.00 C ATOM 76 O PHE A 5 88.381 -3.835 3.122 1.00 0.00 O ATOM 77 CB PHE A 5 88.719 -3.670 -0.279 1.00 0.00 C ATOM 78 CG PHE A 5 89.307 -2.372 0.220 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.217 -2.376 1.283 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.943 -1.163 -0.384 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.764 -1.172 1.743 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.489 0.042 0.075 1.00 0.00 C ATOM 83 CZ PHE A 5 90.399 0.037 1.138 1.00 0.00 C ATOM 0 H PHE A 5 87.512 -5.691 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 5 89.570 -4.965 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 5 89.351 -4.090 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.740 -3.490 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.498 -3.309 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.241 -1.159 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.466 -1.176 2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.208 0.975 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.820 0.966 1.492 1.00 0.00 H new ATOM 93 N ASN A 6 86.589 -3.707 1.858 1.00 0.00 N ATOM 94 CA ASN A 6 85.797 -3.088 2.959 1.00 0.00 C ATOM 95 C ASN A 6 85.838 -3.979 4.204 1.00 0.00 C ATOM 96 O ASN A 6 85.925 -3.502 5.318 1.00 0.00 O ATOM 97 CB ASN A 6 84.371 -2.998 2.417 1.00 0.00 C ATOM 98 CG ASN A 6 84.028 -1.536 2.127 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.895 -0.746 1.815 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.788 -1.140 2.217 1.00 0.00 N ATOM 0 H ASN A 6 86.082 -3.847 0.984 1.00 0.00 H new ATOM 0 HA ASN A 6 86.187 -2.113 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 6 84.278 -3.592 1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.668 -3.411 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.548 -0.167 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 6 82.059 -1.803 2.479 1.00 0.00 H new ATOM 107 N GLY A 7 85.772 -5.268 4.023 1.00 0.00 N ATOM 108 CA GLY A 7 85.804 -6.188 5.195 1.00 0.00 C ATOM 109 C GLY A 7 87.011 -5.856 6.074 1.00 0.00 C ATOM 110 O GLY A 7 86.884 -5.650 7.265 1.00 0.00 O ATOM 0 H GLY A 7 85.697 -5.725 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.884 -6.091 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.861 -7.223 4.857 1.00 0.00 H new ATOM 114 N MET A 8 88.181 -5.802 5.498 1.00 0.00 N ATOM 115 CA MET A 8 89.393 -5.485 6.308 1.00 0.00 C ATOM 116 C MET A 8 89.190 -4.174 7.074 1.00 0.00 C ATOM 117 O MET A 8 89.430 -4.098 8.262 1.00 0.00 O ATOM 118 CB MET A 8 90.523 -5.337 5.290 1.00 0.00 C ATOM 119 CG MET A 8 91.068 -6.718 4.922 1.00 0.00 C ATOM 120 SD MET A 8 92.578 -6.523 3.942 1.00 0.00 S ATOM 121 CE MET A 8 92.839 -8.274 3.570 1.00 0.00 C ATOM 0 H MET A 8 88.351 -5.963 4.505 1.00 0.00 H new ATOM 0 HA MET A 8 89.607 -6.257 7.047 1.00 0.00 H new ATOM 0 HB2 MET A 8 90.157 -4.830 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.320 -4.719 5.704 1.00 0.00 H new ATOM 0 HG2 MET A 8 91.278 -7.291 5.825 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.323 -7.277 4.356 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.192 -8.379 2.544 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.582 -8.684 4.254 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.900 -8.815 3.688 1.00 0.00 H new ATOM 131 N ILE A 9 88.752 -3.144 6.404 1.00 0.00 N ATOM 132 CA ILE A 9 88.537 -1.843 7.100 1.00 0.00 C ATOM 133 C ILE A 9 87.399 -1.967 8.115 1.00 0.00 C ATOM 134 O ILE A 9 87.253 -1.149 9.001 1.00 0.00 O ATOM 135 CB ILE A 9 88.162 -0.854 5.996 1.00 0.00 C ATOM 136 CG1 ILE A 9 89.304 -0.761 4.982 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.915 0.526 6.610 1.00 0.00 C ATOM 138 CD1 ILE A 9 89.036 0.395 4.016 1.00 0.00 C ATOM 0 H ILE A 9 88.534 -3.146 5.408 1.00 0.00 H new ATOM 0 HA ILE A 9 89.422 -1.522 7.650 1.00 0.00 H new ATOM 0 HB ILE A 9 87.257 -1.198 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 9 90.251 -0.605 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.392 -1.697 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.648 1.232 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.101 0.462 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.820 0.868 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 89.849 0.461 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 9 88.097 0.220 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.970 1.328 4.575 1.00 0.00 H new ATOM 150 N LYS A 10 86.586 -2.980 7.989 1.00 0.00 N ATOM 151 CA LYS A 10 85.454 -3.146 8.944 1.00 0.00 C ATOM 152 C LYS A 10 85.898 -3.928 10.184 1.00 0.00 C ATOM 153 O LYS A 10 85.475 -3.644 11.286 1.00 0.00 O ATOM 154 CB LYS A 10 84.392 -3.929 8.174 1.00 0.00 C ATOM 155 CG LYS A 10 83.461 -2.952 7.454 1.00 0.00 C ATOM 156 CD LYS A 10 82.158 -3.663 7.087 1.00 0.00 C ATOM 157 CE LYS A 10 81.671 -3.161 5.726 1.00 0.00 C ATOM 158 NZ LYS A 10 80.187 -3.140 5.833 1.00 0.00 N ATOM 0 H LYS A 10 86.656 -3.698 7.268 1.00 0.00 H new ATOM 0 HA LYS A 10 85.081 -2.185 9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.867 -4.594 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 10 83.820 -4.556 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.252 -2.095 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.944 -2.569 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.316 -4.741 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.401 -3.475 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 10 82.065 -2.169 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.000 -3.819 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.779 -2.806 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 79.840 -4.099 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.903 -2.500 6.602 1.00 0.00 H new ATOM 172 N CYS A 11 86.736 -4.916 10.019 1.00 0.00 N ATOM 173 CA CYS A 11 87.177 -5.704 11.195 1.00 0.00 C ATOM 174 C CYS A 11 88.122 -4.860 12.051 1.00 0.00 C ATOM 175 O CYS A 11 88.115 -4.934 13.263 1.00 0.00 O ATOM 176 CB CYS A 11 87.904 -6.919 10.619 1.00 0.00 C ATOM 177 SG CYS A 11 87.887 -8.254 11.845 1.00 0.00 S ATOM 0 H CYS A 11 87.130 -5.207 9.124 1.00 0.00 H new ATOM 0 HA CYS A 11 86.346 -6.005 11.832 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.419 -7.246 9.699 1.00 0.00 H new ATOM 0 HB3 CYS A 11 88.930 -6.657 10.362 1.00 0.00 H new ATOM 182 N LYS A 12 88.930 -4.051 11.422 1.00 0.00 N ATOM 183 CA LYS A 12 89.875 -3.189 12.190 1.00 0.00 C ATOM 184 C LYS A 12 89.110 -2.042 12.858 1.00 0.00 C ATOM 185 O LYS A 12 89.367 -1.689 13.991 1.00 0.00 O ATOM 186 CB LYS A 12 90.851 -2.645 11.146 1.00 0.00 C ATOM 187 CG LYS A 12 91.661 -3.799 10.552 1.00 0.00 C ATOM 188 CD LYS A 12 92.806 -4.158 11.500 1.00 0.00 C ATOM 189 CE LYS A 12 94.011 -3.263 11.207 1.00 0.00 C ATOM 190 NZ LYS A 12 94.626 -2.999 12.537 1.00 0.00 N ATOM 0 H LYS A 12 88.977 -3.949 10.408 1.00 0.00 H new ATOM 0 HA LYS A 12 90.389 -3.736 12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.305 -2.127 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.519 -1.915 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 12 91.019 -4.666 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.057 -3.516 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 12 92.489 -4.031 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.079 -5.206 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.715 -3.756 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.706 -2.336 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.662 -2.978 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 94.293 -2.082 12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 94.354 -3.752 13.201 1.00 0.00 H new ATOM 204 N ILE A 13 88.169 -1.462 12.162 1.00 0.00 N ATOM 205 CA ILE A 13 87.382 -0.341 12.755 1.00 0.00 C ATOM 206 C ILE A 13 85.916 -0.755 12.902 1.00 0.00 C ATOM 207 O ILE A 13 85.092 -0.437 12.067 1.00 0.00 O ATOM 208 CB ILE A 13 87.522 0.811 11.759 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.006 1.107 11.529 1.00 0.00 C ATOM 210 CG2 ILE A 13 86.837 2.058 12.320 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.183 1.802 10.178 1.00 0.00 C ATOM 0 H ILE A 13 87.911 -1.716 11.208 1.00 0.00 H new ATOM 0 HA ILE A 13 87.735 -0.061 13.748 1.00 0.00 H new ATOM 0 HB ILE A 13 87.054 0.533 10.815 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.390 1.740 12.329 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.580 0.181 11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 13 86.937 2.879 11.610 1.00 0.00 H new ATOM 0 HG22 ILE A 13 85.780 1.849 12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.305 2.336 13.264 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.240 2.013 10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 13 88.815 1.153 9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.621 2.736 10.173 1.00 0.00 H new ATOM 223 N PRO A 14 85.645 -1.459 13.966 1.00 0.00 N ATOM 224 CA PRO A 14 84.267 -1.936 14.237 1.00 0.00 C ATOM 225 C PRO A 14 83.386 -0.782 14.723 1.00 0.00 C ATOM 226 O PRO A 14 82.186 -0.781 14.535 1.00 0.00 O ATOM 227 CB PRO A 14 84.460 -2.973 15.341 1.00 0.00 C ATOM 228 CG PRO A 14 85.735 -2.587 16.023 1.00 0.00 C ATOM 229 CD PRO A 14 86.591 -1.873 15.007 1.00 0.00 C ATOM 0 HA PRO A 14 83.773 -2.343 13.355 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.622 -2.966 16.039 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.523 -3.980 14.929 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.533 -1.941 16.877 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.248 -3.469 16.405 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.099 -1.015 15.447 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.363 -2.529 14.605 1.00 0.00 H new ATOM 237 N SER A 15 83.973 0.200 15.350 1.00 0.00 N ATOM 238 CA SER A 15 83.172 1.353 15.850 1.00 0.00 C ATOM 239 C SER A 15 82.670 2.204 14.680 1.00 0.00 C ATOM 240 O SER A 15 81.897 3.124 14.860 1.00 0.00 O ATOM 241 CB SER A 15 84.141 2.153 16.717 1.00 0.00 C ATOM 242 OG SER A 15 85.404 2.233 16.066 1.00 0.00 O ATOM 0 H SER A 15 84.974 0.254 15.538 1.00 0.00 H new ATOM 0 HA SER A 15 82.290 1.033 16.405 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.747 3.154 16.894 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.252 1.677 17.692 1.00 0.00 H new ATOM 0 HG SER A 15 86.026 2.748 16.621 1.00 0.00 H new ATOM 248 N SER A 16 83.104 1.907 13.485 1.00 0.00 N ATOM 249 CA SER A 16 82.649 2.704 12.309 1.00 0.00 C ATOM 250 C SER A 16 82.688 1.849 11.039 1.00 0.00 C ATOM 251 O SER A 16 83.466 0.923 10.927 1.00 0.00 O ATOM 252 CB SER A 16 83.645 3.858 12.207 1.00 0.00 C ATOM 253 OG SER A 16 83.155 4.968 12.949 1.00 0.00 O ATOM 0 H SER A 16 83.752 1.149 13.272 1.00 0.00 H new ATOM 0 HA SER A 16 81.624 3.056 12.421 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.617 3.550 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 16 83.789 4.138 11.164 1.00 0.00 H new ATOM 0 HG SER A 16 82.601 5.531 12.368 1.00 0.00 H new ATOM 259 N GLU A 17 81.853 2.153 10.082 1.00 0.00 N ATOM 260 CA GLU A 17 81.839 1.360 8.821 1.00 0.00 C ATOM 261 C GLU A 17 82.401 2.193 7.666 1.00 0.00 C ATOM 262 O GLU A 17 82.391 3.407 7.714 1.00 0.00 O ATOM 263 CB GLU A 17 80.366 1.039 8.579 1.00 0.00 C ATOM 264 CG GLU A 17 79.737 0.502 9.866 1.00 0.00 C ATOM 265 CD GLU A 17 79.346 -0.964 9.670 1.00 0.00 C ATOM 266 OE1 GLU A 17 80.205 -1.813 9.845 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.196 -1.213 9.348 1.00 0.00 O ATOM 0 H GLU A 17 81.179 2.918 10.120 1.00 0.00 H new ATOM 0 HA GLU A 17 82.450 0.460 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.838 1.934 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 17 80.271 0.302 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.441 0.594 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.859 1.092 10.128 1.00 0.00 H new ATOM 274 N PRO A 18 82.873 1.505 6.661 1.00 0.00 N ATOM 275 CA PRO A 18 83.446 2.185 5.476 1.00 0.00 C ATOM 276 C PRO A 18 82.331 2.715 4.568 1.00 0.00 C ATOM 277 O PRO A 18 82.585 3.259 3.510 1.00 0.00 O ATOM 278 CB PRO A 18 84.232 1.079 4.778 1.00 0.00 C ATOM 279 CG PRO A 18 83.583 -0.201 5.206 1.00 0.00 C ATOM 280 CD PRO A 18 82.921 0.044 6.540 1.00 0.00 C ATOM 0 HA PRO A 18 84.062 3.047 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.196 1.195 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.283 1.102 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.848 -0.523 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 18 84.323 -0.997 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.922 -0.390 6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.491 -0.404 7.354 1.00 0.00 H new ATOM 288 N LEU A 19 81.098 2.563 4.969 1.00 0.00 N ATOM 289 CA LEU A 19 79.974 3.059 4.123 1.00 0.00 C ATOM 290 C LEU A 19 79.258 4.222 4.818 1.00 0.00 C ATOM 291 O LEU A 19 78.696 5.087 4.177 1.00 0.00 O ATOM 292 CB LEU A 19 79.031 1.863 3.974 1.00 0.00 C ATOM 293 CG LEU A 19 79.688 0.798 3.098 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.858 -0.485 3.144 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.764 1.302 1.654 1.00 0.00 C ATOM 0 H LEU A 19 80.820 2.118 5.844 1.00 0.00 H new ATOM 0 HA LEU A 19 80.319 3.430 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.796 1.448 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.089 2.183 3.529 1.00 0.00 H new ATOM 0 HG LEU A 19 80.693 0.594 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.327 -1.245 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.801 -0.845 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.853 -0.281 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 19 80.233 0.543 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.758 1.505 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 19 80.355 2.217 1.619 1.00 0.00 H new ATOM 307 N LEU A 20 79.273 4.248 6.122 1.00 0.00 N ATOM 308 CA LEU A 20 78.590 5.355 6.853 1.00 0.00 C ATOM 309 C LEU A 20 79.621 6.300 7.472 1.00 0.00 C ATOM 310 O LEU A 20 79.281 7.299 8.074 1.00 0.00 O ATOM 311 CB LEU A 20 77.775 4.666 7.948 1.00 0.00 C ATOM 312 CG LEU A 20 77.058 3.448 7.365 1.00 0.00 C ATOM 313 CD1 LEU A 20 76.283 2.731 8.472 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.085 3.906 6.277 1.00 0.00 C ATOM 0 H LEU A 20 79.728 3.552 6.713 1.00 0.00 H new ATOM 0 HA LEU A 20 77.964 5.956 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.430 4.359 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.048 5.362 8.367 1.00 0.00 H new ATOM 0 HG LEU A 20 77.791 2.765 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 20 75.772 1.863 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 20 76.975 2.406 9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 20 75.549 3.412 8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.572 3.040 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.352 4.588 6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.636 4.417 5.487 1.00 0.00 H new ATOM 326 N ASP A 21 80.881 5.993 7.331 1.00 0.00 N ATOM 327 CA ASP A 21 81.932 6.875 7.913 1.00 0.00 C ATOM 328 C ASP A 21 82.901 7.333 6.821 1.00 0.00 C ATOM 329 O ASP A 21 82.975 8.500 6.491 1.00 0.00 O ATOM 330 CB ASP A 21 82.654 6.002 8.940 1.00 0.00 C ATOM 331 CG ASP A 21 83.089 6.864 10.126 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.871 7.776 9.915 1.00 0.00 O ATOM 333 OD2 ASP A 21 82.632 6.597 11.226 1.00 0.00 O ATOM 0 H ASP A 21 81.228 5.170 6.838 1.00 0.00 H new ATOM 0 HA ASP A 21 81.515 7.775 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 21 81.996 5.202 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.523 5.528 8.483 1.00 0.00 H new ATOM 338 N PHE A 22 83.643 6.422 6.255 1.00 0.00 N ATOM 339 CA PHE A 22 84.605 6.806 5.183 1.00 0.00 C ATOM 340 C PHE A 22 83.912 6.773 3.818 1.00 0.00 C ATOM 341 O PHE A 22 84.295 6.031 2.935 1.00 0.00 O ATOM 342 CB PHE A 22 85.712 5.754 5.251 1.00 0.00 C ATOM 343 CG PHE A 22 86.224 5.651 6.669 1.00 0.00 C ATOM 344 CD1 PHE A 22 86.905 6.728 7.247 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.016 4.477 7.405 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.380 6.633 8.561 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.492 4.382 8.719 1.00 0.00 C ATOM 348 CZ PHE A 22 87.173 5.460 9.296 1.00 0.00 C ATOM 0 H PHE A 22 83.625 5.429 6.488 1.00 0.00 H new ATOM 0 HA PHE A 22 84.995 7.815 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.331 4.788 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.526 6.023 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.064 7.633 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.489 3.646 6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 22 87.906 7.464 9.007 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.334 3.477 9.287 1.00 0.00 H new ATOM 0 HZ PHE A 22 87.539 5.387 10.309 1.00 0.00 H new ATOM 358 N ASN A 23 82.895 7.572 3.638 1.00 0.00 N ATOM 359 CA ASN A 23 82.179 7.585 2.329 1.00 0.00 C ATOM 360 C ASN A 23 82.364 8.938 1.635 1.00 0.00 C ATOM 361 O ASN A 23 81.978 9.969 2.150 1.00 0.00 O ATOM 362 CB ASN A 23 80.706 7.358 2.677 1.00 0.00 C ATOM 363 CG ASN A 23 79.935 6.991 1.407 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.206 7.514 0.345 1.00 0.00 O ATOM 365 ND2 ASN A 23 78.978 6.107 1.472 1.00 0.00 N ATOM 0 H ASN A 23 82.529 8.216 4.340 1.00 0.00 H new ATOM 0 HA ASN A 23 82.558 6.824 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 23 80.614 6.561 3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.284 8.258 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.458 5.856 0.631 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.750 5.667 2.364 1.00 0.00 H new ATOM 372 N ASN A 24 82.949 8.941 0.469 1.00 0.00 N ATOM 373 CA ASN A 24 83.158 10.225 -0.261 1.00 0.00 C ATOM 374 C ASN A 24 83.897 11.230 0.628 1.00 0.00 C ATOM 375 O ASN A 24 83.345 12.230 1.044 1.00 0.00 O ATOM 376 CB ASN A 24 81.753 10.730 -0.586 1.00 0.00 C ATOM 377 CG ASN A 24 81.837 11.824 -1.652 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.544 12.797 -1.485 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.139 11.704 -2.748 1.00 0.00 N ATOM 0 H ASN A 24 83.292 8.109 -0.011 1.00 0.00 H new ATOM 0 HA ASN A 24 83.762 10.093 -1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.133 9.907 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.278 11.120 0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.187 12.428 -3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 24 80.545 10.886 -2.888 1.00 0.00 H new ATOM 386 N TYR A 25 85.144 10.973 0.919 1.00 0.00 N ATOM 387 CA TYR A 25 85.921 11.914 1.776 1.00 0.00 C ATOM 388 C TYR A 25 87.297 12.168 1.150 1.00 0.00 C ATOM 389 O TYR A 25 87.782 11.381 0.362 1.00 0.00 O ATOM 390 CB TYR A 25 86.062 11.198 3.122 1.00 0.00 C ATOM 391 CG TYR A 25 87.176 11.829 3.923 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.494 11.395 3.747 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.890 12.848 4.839 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.528 11.980 4.488 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.924 13.433 5.581 1.00 0.00 C ATOM 396 CZ TYR A 25 89.243 12.999 5.405 1.00 0.00 C ATOM 397 OH TYR A 25 90.263 13.576 6.136 1.00 0.00 O ATOM 0 H TYR A 25 85.658 10.152 0.600 1.00 0.00 H new ATOM 0 HA TYR A 25 85.434 12.883 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.125 11.257 3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.271 10.140 2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.714 10.609 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.872 13.183 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.546 11.645 4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.704 14.219 6.289 1.00 0.00 H new ATOM 0 HH TYR A 25 90.203 14.552 6.067 1.00 0.00 H new ATOM 407 N GLY A 26 87.927 13.258 1.489 1.00 0.00 N ATOM 408 CA GLY A 26 89.267 13.545 0.902 1.00 0.00 C ATOM 409 C GLY A 26 89.211 13.335 -0.610 1.00 0.00 C ATOM 410 O GLY A 26 88.152 13.197 -1.188 1.00 0.00 O ATOM 0 H GLY A 26 87.576 13.958 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.564 14.569 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.018 12.891 1.344 1.00 0.00 H new ATOM 414 N CYS A 27 90.343 13.313 -1.257 1.00 0.00 N ATOM 415 CA CYS A 27 90.348 13.117 -2.734 1.00 0.00 C ATOM 416 C CYS A 27 90.733 11.677 -3.092 1.00 0.00 C ATOM 417 O CYS A 27 90.659 11.276 -4.237 1.00 0.00 O ATOM 418 CB CYS A 27 91.395 14.099 -3.260 1.00 0.00 C ATOM 419 SG CYS A 27 90.603 15.286 -4.371 1.00 0.00 S ATOM 0 H CYS A 27 91.262 13.422 -0.829 1.00 0.00 H new ATOM 0 HA CYS A 27 89.364 13.291 -3.170 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.868 14.622 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.182 13.560 -3.787 1.00 0.00 H new ATOM 424 N TYR A 28 91.148 10.894 -2.133 1.00 0.00 N ATOM 425 CA TYR A 28 91.536 9.488 -2.444 1.00 0.00 C ATOM 426 C TYR A 28 90.523 8.499 -1.858 1.00 0.00 C ATOM 427 O TYR A 28 90.310 7.430 -2.393 1.00 0.00 O ATOM 428 CB TYR A 28 92.907 9.305 -1.794 1.00 0.00 C ATOM 429 CG TYR A 28 93.926 10.119 -2.551 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.376 9.684 -3.804 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.416 11.311 -2.006 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.318 10.441 -4.509 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.359 12.068 -2.711 1.00 0.00 C ATOM 434 CZ TYR A 28 95.810 11.633 -3.964 1.00 0.00 C ATOM 435 OH TYR A 28 96.738 12.380 -4.660 1.00 0.00 O ATOM 0 H TYR A 28 91.235 11.165 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 28 91.562 9.300 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.874 9.620 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.188 8.252 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.996 8.765 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.066 11.647 -1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.666 10.105 -5.475 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.739 12.987 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 28 96.716 13.307 -4.343 1.00 0.00 H new ATOM 445 N CYS A 29 89.897 8.842 -0.765 1.00 0.00 N ATOM 446 CA CYS A 29 88.902 7.909 -0.158 1.00 0.00 C ATOM 447 C CYS A 29 87.629 7.863 -1.009 1.00 0.00 C ATOM 448 O CYS A 29 87.316 8.794 -1.724 1.00 0.00 O ATOM 449 CB CYS A 29 88.602 8.488 1.224 1.00 0.00 C ATOM 450 SG CYS A 29 90.147 8.643 2.154 1.00 0.00 S ATOM 0 H CYS A 29 90.030 9.723 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 29 89.280 6.888 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.123 9.462 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 29 87.905 7.842 1.758 1.00 0.00 H new ATOM 455 N GLY A 30 86.894 6.787 -0.939 1.00 0.00 N ATOM 456 CA GLY A 30 85.644 6.684 -1.744 1.00 0.00 C ATOM 457 C GLY A 30 86.001 6.579 -3.228 1.00 0.00 C ATOM 458 O GLY A 30 87.137 6.765 -3.617 1.00 0.00 O ATOM 0 H GLY A 30 87.105 5.975 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.070 5.811 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.014 7.557 -1.571 1.00 0.00 H new ATOM 462 N LEU A 31 85.042 6.283 -4.062 1.00 0.00 N ATOM 463 CA LEU A 31 85.333 6.168 -5.520 1.00 0.00 C ATOM 464 C LEU A 31 85.032 7.495 -6.224 1.00 0.00 C ATOM 465 O LEU A 31 83.995 7.663 -6.834 1.00 0.00 O ATOM 466 CB LEU A 31 84.400 5.067 -6.027 1.00 0.00 C ATOM 467 CG LEU A 31 85.171 4.140 -6.967 1.00 0.00 C ATOM 468 CD1 LEU A 31 85.945 3.105 -6.148 1.00 0.00 C ATOM 469 CD2 LEU A 31 84.188 3.422 -7.894 1.00 0.00 C ATOM 0 H LEU A 31 84.071 6.116 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 31 86.380 5.934 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 31 83.999 4.500 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 31 83.550 5.507 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 31 85.870 4.729 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 31 86.494 2.445 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 31 86.646 3.614 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 31 85.247 2.517 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 31 84.737 2.761 -8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 31 83.488 2.835 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 31 83.637 4.158 -8.480 1.00 0.00 H new ATOM 481 N GLY A 32 85.931 8.437 -6.144 1.00 0.00 N ATOM 482 CA GLY A 32 85.695 9.750 -6.809 1.00 0.00 C ATOM 483 C GLY A 32 86.630 10.802 -6.211 1.00 0.00 C ATOM 484 O GLY A 32 86.319 11.432 -5.221 1.00 0.00 O ATOM 0 H GLY A 32 86.818 8.355 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 32 85.868 9.662 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 32 84.657 10.055 -6.677 1.00 0.00 H new ATOM 488 N GLY A 33 87.777 10.998 -6.805 1.00 0.00 N ATOM 489 CA GLY A 33 88.729 12.011 -6.268 1.00 0.00 C ATOM 490 C GLY A 33 90.134 11.729 -6.801 1.00 0.00 C ATOM 491 O GLY A 33 90.476 10.607 -7.117 1.00 0.00 O ATOM 0 H GLY A 33 88.095 10.501 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 33 88.413 13.012 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 33 88.730 11.982 -5.178 1.00 0.00 H new ATOM 495 N SER A 34 90.956 12.739 -6.901 1.00 0.00 N ATOM 496 CA SER A 34 92.342 12.529 -7.409 1.00 0.00 C ATOM 497 C SER A 34 93.138 13.833 -7.323 1.00 0.00 C ATOM 498 O SER A 34 92.860 14.789 -8.021 1.00 0.00 O ATOM 499 CB SER A 34 92.175 12.099 -8.865 1.00 0.00 C ATOM 500 OG SER A 34 91.218 12.938 -9.498 1.00 0.00 O ATOM 0 H SER A 34 90.727 13.701 -6.652 1.00 0.00 H new ATOM 0 HA SER A 34 92.885 11.784 -6.827 1.00 0.00 H new ATOM 0 HB2 SER A 34 93.130 12.161 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.852 11.059 -8.914 1.00 0.00 H new ATOM 0 HG SER A 34 91.427 13.876 -9.306 1.00 0.00 H new ATOM 506 N GLY A 35 94.125 13.883 -6.472 1.00 0.00 N ATOM 507 CA GLY A 35 94.934 15.127 -6.345 1.00 0.00 C ATOM 508 C GLY A 35 95.429 15.269 -4.905 1.00 0.00 C ATOM 509 O GLY A 35 95.258 14.383 -4.090 1.00 0.00 O ATOM 0 H GLY A 35 94.406 13.117 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.781 15.094 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.334 15.994 -6.622 1.00 0.00 H new ATOM 513 N THR A 36 96.042 16.375 -4.583 1.00 0.00 N ATOM 514 CA THR A 36 96.546 16.572 -3.195 1.00 0.00 C ATOM 515 C THR A 36 95.502 16.098 -2.180 1.00 0.00 C ATOM 516 O THR A 36 94.328 16.376 -2.322 1.00 0.00 O ATOM 517 CB THR A 36 96.777 18.079 -3.066 1.00 0.00 C ATOM 518 OG1 THR A 36 97.567 18.530 -4.158 1.00 0.00 O ATOM 519 CG2 THR A 36 97.503 18.375 -1.753 1.00 0.00 C ATOM 0 H THR A 36 96.216 17.151 -5.222 1.00 0.00 H new ATOM 0 HA THR A 36 97.456 16.003 -3.002 1.00 0.00 H new ATOM 0 HB THR A 36 95.817 18.596 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 36 97.715 19.496 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.667 19.449 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.897 18.028 -0.916 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.463 17.859 -1.744 1.00 0.00 H new ATOM 527 N PRO A 37 95.972 15.395 -1.186 1.00 0.00 N ATOM 528 CA PRO A 37 95.073 14.871 -0.129 1.00 0.00 C ATOM 529 C PRO A 37 94.596 16.008 0.779 1.00 0.00 C ATOM 530 O PRO A 37 94.931 17.158 0.578 1.00 0.00 O ATOM 531 CB PRO A 37 95.959 13.895 0.640 1.00 0.00 C ATOM 532 CG PRO A 37 97.357 14.368 0.400 1.00 0.00 C ATOM 533 CD PRO A 37 97.373 15.027 -0.954 1.00 0.00 C ATOM 0 HA PRO A 37 94.172 14.401 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.719 13.898 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.822 12.874 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.665 15.071 1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.057 13.533 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.023 15.902 -0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.740 14.348 -1.724 1.00 0.00 H new ATOM 541 N VAL A 38 93.817 15.693 1.779 1.00 0.00 N ATOM 542 CA VAL A 38 93.321 16.756 2.702 1.00 0.00 C ATOM 543 C VAL A 38 93.922 16.568 4.098 1.00 0.00 C ATOM 544 O VAL A 38 94.156 17.521 4.816 1.00 0.00 O ATOM 545 CB VAL A 38 91.801 16.581 2.744 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.185 17.148 1.464 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.456 15.094 2.860 1.00 0.00 C ATOM 0 H VAL A 38 93.503 14.747 1.997 1.00 0.00 H new ATOM 0 HA VAL A 38 93.603 17.754 2.365 1.00 0.00 H new ATOM 0 HB VAL A 38 91.401 17.113 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.103 17.023 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.426 18.208 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.587 16.618 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.373 14.973 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.857 14.559 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.891 14.690 3.774 1.00 0.00 H new ATOM 557 N ASP A 39 94.173 15.348 4.489 1.00 0.00 N ATOM 558 CA ASP A 39 94.759 15.105 5.839 1.00 0.00 C ATOM 559 C ASP A 39 95.393 13.714 5.903 1.00 0.00 C ATOM 560 O ASP A 39 95.561 13.049 4.900 1.00 0.00 O ATOM 561 CB ASP A 39 93.582 15.200 6.808 1.00 0.00 C ATOM 562 CG ASP A 39 94.073 15.731 8.156 1.00 0.00 C ATOM 563 OD1 ASP A 39 94.842 15.036 8.799 1.00 0.00 O ATOM 564 OD2 ASP A 39 93.673 16.823 8.522 1.00 0.00 O ATOM 0 H ASP A 39 93.998 14.510 3.934 1.00 0.00 H new ATOM 0 HA ASP A 39 95.544 15.822 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.816 15.860 6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.123 14.220 6.937 1.00 0.00 H new ATOM 569 N ASP A 40 95.747 13.271 7.077 1.00 0.00 N ATOM 570 CA ASP A 40 96.373 11.925 7.211 1.00 0.00 C ATOM 571 C ASP A 40 95.406 10.838 6.737 1.00 0.00 C ATOM 572 O ASP A 40 95.806 9.854 6.147 1.00 0.00 O ATOM 573 CB ASP A 40 96.660 11.768 8.705 1.00 0.00 C ATOM 574 CG ASP A 40 98.146 12.022 8.970 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.907 12.011 8.016 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.496 12.220 10.121 1.00 0.00 O ATOM 0 H ASP A 40 95.630 13.783 7.951 1.00 0.00 H new ATOM 0 HA ASP A 40 97.276 11.831 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.053 12.469 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.387 10.766 9.035 1.00 0.00 H new ATOM 581 N LEU A 41 94.135 11.004 6.987 1.00 0.00 N ATOM 582 CA LEU A 41 93.154 9.974 6.545 1.00 0.00 C ATOM 583 C LEU A 41 93.197 9.831 5.022 1.00 0.00 C ATOM 584 O LEU A 41 93.463 8.768 4.496 1.00 0.00 O ATOM 585 CB LEU A 41 91.787 10.502 6.998 1.00 0.00 C ATOM 586 CG LEU A 41 90.758 9.358 7.077 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.088 8.259 6.062 1.00 0.00 C ATOM 588 CD2 LEU A 41 90.770 8.760 8.485 1.00 0.00 C ATOM 0 H LEU A 41 93.736 11.805 7.476 1.00 0.00 H new ATOM 0 HA LEU A 41 93.367 8.991 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.882 10.980 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.437 11.264 6.302 1.00 0.00 H new ATOM 0 HG LEU A 41 89.772 9.763 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.348 7.462 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 41 91.072 8.677 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 41 92.079 7.855 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 41 90.042 7.950 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 41 91.764 8.371 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 41 90.512 9.532 9.210 1.00 0.00 H new ATOM 600 N ASP A 42 92.949 10.896 4.306 1.00 0.00 N ATOM 601 CA ASP A 42 92.989 10.812 2.820 1.00 0.00 C ATOM 602 C ASP A 42 94.368 10.326 2.375 1.00 0.00 C ATOM 603 O ASP A 42 94.498 9.567 1.436 1.00 0.00 O ATOM 604 CB ASP A 42 92.733 12.237 2.328 1.00 0.00 C ATOM 605 CG ASP A 42 92.332 12.200 0.852 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.851 11.168 0.415 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.513 13.205 0.184 1.00 0.00 O ATOM 0 H ASP A 42 92.722 11.815 4.685 1.00 0.00 H new ATOM 0 HA ASP A 42 92.253 10.115 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 42 91.944 12.701 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.628 12.845 2.458 1.00 0.00 H new ATOM 612 N ARG A 43 95.400 10.748 3.056 1.00 0.00 N ATOM 613 CA ARG A 43 96.767 10.296 2.685 1.00 0.00 C ATOM 614 C ARG A 43 96.787 8.772 2.627 1.00 0.00 C ATOM 615 O ARG A 43 97.441 8.175 1.794 1.00 0.00 O ATOM 616 CB ARG A 43 97.672 10.806 3.807 1.00 0.00 C ATOM 617 CG ARG A 43 98.069 12.252 3.517 1.00 0.00 C ATOM 618 CD ARG A 43 99.566 12.322 3.209 1.00 0.00 C ATOM 619 NE ARG A 43 99.803 11.289 2.174 1.00 0.00 N ATOM 620 CZ ARG A 43 100.855 11.364 1.404 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.007 11.713 1.907 1.00 0.00 N ATOM 622 NH2 ARG A 43 100.752 11.093 0.131 1.00 0.00 N ATOM 0 H ARG A 43 95.353 11.385 3.851 1.00 0.00 H new ATOM 0 HA ARG A 43 97.090 10.668 1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.154 10.744 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.562 10.181 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.496 12.635 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.834 12.883 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.847 13.311 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.160 12.127 4.102 1.00 0.00 H new ATOM 0 HE ARG A 43 99.144 10.519 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.086 11.927 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.829 11.772 1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 43 99.850 10.823 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 43 101.573 11.151 -0.471 1.00 0.00 H new ATOM 636 N CYS A 44 96.065 8.142 3.509 1.00 0.00 N ATOM 637 CA CYS A 44 96.021 6.662 3.517 1.00 0.00 C ATOM 638 C CYS A 44 95.324 6.158 2.250 1.00 0.00 C ATOM 639 O CYS A 44 95.753 5.207 1.628 1.00 0.00 O ATOM 640 CB CYS A 44 95.205 6.297 4.756 1.00 0.00 C ATOM 641 SG CYS A 44 96.095 6.809 6.246 1.00 0.00 S ATOM 0 H CYS A 44 95.501 8.595 4.228 1.00 0.00 H new ATOM 0 HA CYS A 44 97.015 6.215 3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.230 6.784 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.024 5.222 4.780 1.00 0.00 H new ATOM 646 N CYS A 45 94.252 6.797 1.865 1.00 0.00 N ATOM 647 CA CYS A 45 93.523 6.366 0.638 1.00 0.00 C ATOM 648 C CYS A 45 94.434 6.502 -0.582 1.00 0.00 C ATOM 649 O CYS A 45 94.493 5.632 -1.428 1.00 0.00 O ATOM 650 CB CYS A 45 92.332 7.318 0.533 1.00 0.00 C ATOM 651 SG CYS A 45 91.113 6.902 1.805 1.00 0.00 S ATOM 0 H CYS A 45 93.849 7.600 2.348 1.00 0.00 H new ATOM 0 HA CYS A 45 93.205 5.324 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.665 8.349 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.880 7.245 -0.456 1.00 0.00 H new ATOM 656 N GLN A 46 95.156 7.585 -0.671 1.00 0.00 N ATOM 657 CA GLN A 46 96.075 7.771 -1.829 1.00 0.00 C ATOM 658 C GLN A 46 97.017 6.573 -1.925 1.00 0.00 C ATOM 659 O GLN A 46 97.348 6.109 -2.998 1.00 0.00 O ATOM 660 CB GLN A 46 96.860 9.042 -1.508 1.00 0.00 C ATOM 661 CG GLN A 46 97.938 9.264 -2.570 1.00 0.00 C ATOM 662 CD GLN A 46 98.389 10.720 -2.540 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.914 11.502 -1.740 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.295 11.120 -3.385 1.00 0.00 N ATOM 0 H GLN A 46 95.149 8.348 0.006 1.00 0.00 H new ATOM 0 HA GLN A 46 95.547 7.851 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.186 9.898 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.318 8.959 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.787 8.605 -2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.549 9.013 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.693 10.462 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.607 12.091 -3.376 1.00 0.00 H new ATOM 673 N THR A 47 97.451 6.074 -0.801 1.00 0.00 N ATOM 674 CA THR A 47 98.369 4.909 -0.802 1.00 0.00 C ATOM 675 C THR A 47 97.644 3.662 -1.312 1.00 0.00 C ATOM 676 O THR A 47 98.234 2.796 -1.927 1.00 0.00 O ATOM 677 CB THR A 47 98.780 4.730 0.659 1.00 0.00 C ATOM 678 OG1 THR A 47 99.163 5.988 1.199 1.00 0.00 O ATOM 679 CG2 THR A 47 99.955 3.757 0.744 1.00 0.00 C ATOM 0 H THR A 47 97.205 6.429 0.123 1.00 0.00 H new ATOM 0 HA THR A 47 99.230 5.062 -1.453 1.00 0.00 H new ATOM 0 HB THR A 47 97.940 4.331 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 99.425 5.875 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.248 3.630 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.660 2.793 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.797 4.153 0.177 1.00 0.00 H new ATOM 687 N HIS A 48 96.365 3.568 -1.067 1.00 0.00 N ATOM 688 CA HIS A 48 95.601 2.382 -1.543 1.00 0.00 C ATOM 689 C HIS A 48 95.640 2.334 -3.066 1.00 0.00 C ATOM 690 O HIS A 48 96.000 1.341 -3.664 1.00 0.00 O ATOM 691 CB HIS A 48 94.170 2.611 -1.056 1.00 0.00 C ATOM 692 CG HIS A 48 93.290 1.493 -1.542 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.495 1.615 -2.670 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.067 0.225 -1.063 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.838 0.452 -2.832 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.150 -0.431 -1.879 1.00 0.00 N ATOM 0 H HIS A 48 95.817 4.262 -0.558 1.00 0.00 H new ATOM 0 HA HIS A 48 96.009 1.442 -1.172 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.148 2.658 0.033 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.798 3.567 -1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 48 92.421 2.437 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS A 48 93.533 -0.199 -0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.143 0.256 -3.635 1.00 0.00 H new ATOM 704 N ASP A 49 95.274 3.414 -3.692 1.00 0.00 N ATOM 705 CA ASP A 49 95.289 3.456 -5.174 1.00 0.00 C ATOM 706 C ASP A 49 96.719 3.271 -5.681 1.00 0.00 C ATOM 707 O ASP A 49 96.974 2.512 -6.594 1.00 0.00 O ATOM 708 CB ASP A 49 94.760 4.845 -5.537 1.00 0.00 C ATOM 709 CG ASP A 49 93.236 4.794 -5.663 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.731 3.777 -6.111 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.599 5.773 -5.311 1.00 0.00 O ATOM 0 H ASP A 49 94.964 4.273 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 49 94.686 2.667 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.048 5.567 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.202 5.180 -6.475 1.00 0.00 H new ATOM 716 N ASN A 50 97.657 3.958 -5.086 1.00 0.00 N ATOM 717 CA ASN A 50 99.071 3.823 -5.521 1.00 0.00 C ATOM 718 C ASN A 50 99.498 2.356 -5.440 1.00 0.00 C ATOM 719 O ASN A 50 100.282 1.880 -6.238 1.00 0.00 O ATOM 720 CB ASN A 50 99.873 4.677 -4.540 1.00 0.00 C ATOM 721 CG ASN A 50 99.905 6.125 -5.037 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.276 6.454 -6.023 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.617 7.008 -4.391 1.00 0.00 N ATOM 0 H ASN A 50 97.501 4.608 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 50 99.225 4.145 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.423 4.631 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.888 4.290 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.646 7.975 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 50 101.145 6.731 -3.563 1.00 0.00 H new ATOM 730 N CYS A 51 98.980 1.636 -4.482 1.00 0.00 N ATOM 731 CA CYS A 51 99.348 0.198 -4.350 1.00 0.00 C ATOM 732 C CYS A 51 98.672 -0.615 -5.456 1.00 0.00 C ATOM 733 O CYS A 51 99.234 -1.554 -5.983 1.00 0.00 O ATOM 734 CB CYS A 51 98.822 -0.223 -2.976 1.00 0.00 C ATOM 735 SG CYS A 51 99.667 -1.731 -2.443 1.00 0.00 S ATOM 0 H CYS A 51 98.319 1.981 -3.786 1.00 0.00 H new ATOM 0 HA CYS A 51 100.422 0.033 -4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.987 0.575 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.746 -0.393 -3.023 1.00 0.00 H new ATOM 740 N TYR A 52 97.469 -0.254 -5.816 1.00 0.00 N ATOM 741 CA TYR A 52 96.760 -1.001 -6.894 1.00 0.00 C ATOM 742 C TYR A 52 97.479 -0.790 -8.229 1.00 0.00 C ATOM 743 O TYR A 52 97.410 -1.613 -9.121 1.00 0.00 O ATOM 744 CB TYR A 52 95.354 -0.399 -6.936 1.00 0.00 C ATOM 745 CG TYR A 52 94.464 -1.129 -5.958 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.979 -1.561 -4.730 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.123 -1.374 -6.281 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.154 -2.239 -3.825 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.299 -2.052 -5.374 1.00 0.00 C ATOM 750 CZ TYR A 52 92.814 -2.484 -4.146 1.00 0.00 C ATOM 751 OH TYR A 52 92.001 -3.151 -3.253 1.00 0.00 O ATOM 0 H TYR A 52 96.948 0.524 -5.411 1.00 0.00 H new ATOM 0 HA TYR A 52 96.733 -2.075 -6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.393 0.661 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.944 -0.475 -7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 52 96.013 -1.371 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.725 -1.041 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.552 -2.573 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.265 -2.242 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 52 91.813 -2.571 -2.486 1.00 0.00 H new ATOM 761 N LYS A 53 98.179 0.302 -8.366 1.00 0.00 N ATOM 762 CA LYS A 53 98.916 0.563 -9.639 1.00 0.00 C ATOM 763 C LYS A 53 100.148 -0.325 -9.671 1.00 0.00 C ATOM 764 O LYS A 53 100.379 -1.077 -10.597 1.00 0.00 O ATOM 765 CB LYS A 53 99.349 2.036 -9.592 1.00 0.00 C ATOM 766 CG LYS A 53 98.274 2.889 -8.923 1.00 0.00 C ATOM 767 CD LYS A 53 97.780 3.954 -9.903 1.00 0.00 C ATOM 768 CE LYS A 53 96.294 3.732 -10.189 1.00 0.00 C ATOM 769 NZ LYS A 53 96.259 2.999 -11.484 1.00 0.00 N ATOM 0 H LYS A 53 98.274 1.026 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 53 98.304 0.359 -10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.287 2.128 -9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.533 2.399 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.443 2.260 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.677 3.363 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.937 4.949 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.351 3.904 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 53 95.821 3.154 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.759 4.679 -10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.271 2.809 -11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.711 3.576 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.771 2.099 -11.387 1.00 0.00 H new ATOM 783 N GLN A 54 100.935 -0.235 -8.644 1.00 0.00 N ATOM 784 CA GLN A 54 102.164 -1.062 -8.564 1.00 0.00 C ATOM 785 C GLN A 54 101.799 -2.543 -8.657 1.00 0.00 C ATOM 786 O GLN A 54 102.486 -3.327 -9.282 1.00 0.00 O ATOM 787 CB GLN A 54 102.766 -0.742 -7.197 1.00 0.00 C ATOM 788 CG GLN A 54 103.163 0.734 -7.152 1.00 0.00 C ATOM 789 CD GLN A 54 104.143 0.963 -6.001 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.309 1.222 -6.225 1.00 0.00 O ATOM 791 NE2 GLN A 54 103.716 0.879 -4.772 1.00 0.00 N ATOM 0 H GLN A 54 100.779 0.383 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 54 102.863 -0.852 -9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.045 -0.961 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.638 -1.371 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.620 1.028 -8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.278 1.356 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 54 102.737 0.662 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 54 104.361 1.031 -3.997 1.00 0.00 H new ATOM 800 N ALA A 55 100.715 -2.928 -8.043 1.00 0.00 N ATOM 801 CA ALA A 55 100.297 -4.356 -8.102 1.00 0.00 C ATOM 802 C ALA A 55 100.101 -4.769 -9.560 1.00 0.00 C ATOM 803 O ALA A 55 100.443 -5.864 -9.959 1.00 0.00 O ATOM 804 CB ALA A 55 98.973 -4.418 -7.340 1.00 0.00 C ATOM 0 H ALA A 55 100.102 -2.317 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 55 101.038 -5.029 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.601 -5.442 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.129 -4.088 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.244 -3.767 -7.823 1.00 0.00 H new ATOM 810 N LYS A 56 99.561 -3.891 -10.361 1.00 0.00 N ATOM 811 CA LYS A 56 99.352 -4.224 -11.797 1.00 0.00 C ATOM 812 C LYS A 56 100.704 -4.305 -12.510 1.00 0.00 C ATOM 813 O LYS A 56 100.906 -5.111 -13.396 1.00 0.00 O ATOM 814 CB LYS A 56 98.518 -3.070 -12.355 1.00 0.00 C ATOM 815 CG LYS A 56 97.038 -3.317 -12.054 1.00 0.00 C ATOM 816 CD LYS A 56 96.244 -2.031 -12.297 1.00 0.00 C ATOM 817 CE LYS A 56 95.803 -1.971 -13.761 1.00 0.00 C ATOM 818 NZ LYS A 56 96.671 -0.931 -14.380 1.00 0.00 N ATOM 0 H LYS A 56 99.256 -2.958 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 56 98.856 -5.184 -11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.838 -2.128 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.672 -2.983 -13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.656 -4.118 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.916 -3.642 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 56 95.373 -2.000 -11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.856 -1.162 -12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 56 95.931 -2.936 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 56 94.749 -1.707 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 96.429 -0.831 -15.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 96.523 -0.022 -13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 97.668 -1.213 -14.290 1.00 0.00 H new ATOM 832 N LYS A 57 101.632 -3.469 -12.128 1.00 0.00 N ATOM 833 CA LYS A 57 102.969 -3.487 -12.775 1.00 0.00 C ATOM 834 C LYS A 57 103.651 -4.842 -12.561 1.00 0.00 C ATOM 835 O LYS A 57 104.386 -5.316 -13.404 1.00 0.00 O ATOM 836 CB LYS A 57 103.758 -2.376 -12.081 1.00 0.00 C ATOM 837 CG LYS A 57 104.216 -1.347 -13.118 1.00 0.00 C ATOM 838 CD LYS A 57 105.720 -1.105 -12.967 1.00 0.00 C ATOM 839 CE LYS A 57 106.229 -0.296 -14.162 1.00 0.00 C ATOM 840 NZ LYS A 57 107.499 -0.961 -14.561 1.00 0.00 N ATOM 0 H LYS A 57 101.518 -2.772 -11.392 1.00 0.00 H new ATOM 0 HA LYS A 57 102.905 -3.334 -13.852 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.139 -1.894 -11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.621 -2.797 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.993 -1.704 -14.123 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.671 -0.412 -12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 57 105.922 -0.569 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.248 -2.057 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 57 105.507 -0.301 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 57 106.397 0.746 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.910 -0.463 -15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 108.169 -0.935 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 107.307 -1.950 -14.820 1.00 0.00 H new ATOM 854 N LEU A 58 103.419 -5.465 -11.438 1.00 0.00 N ATOM 855 CA LEU A 58 104.058 -6.780 -11.167 1.00 0.00 C ATOM 856 C LEU A 58 103.857 -7.731 -12.347 1.00 0.00 C ATOM 857 O LEU A 58 102.744 -8.034 -12.729 1.00 0.00 O ATOM 858 CB LEU A 58 103.345 -7.311 -9.925 1.00 0.00 C ATOM 859 CG LEU A 58 104.325 -7.342 -8.752 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.274 -6.008 -8.005 1.00 0.00 C ATOM 861 CD2 LEU A 58 103.936 -8.472 -7.801 1.00 0.00 C ATOM 0 H LEU A 58 102.812 -5.117 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 58 105.134 -6.691 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.491 -6.678 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.956 -8.311 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 58 105.335 -7.508 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.973 -6.032 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.547 -5.200 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.265 -5.840 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.632 -8.498 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.926 -8.302 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.972 -9.423 -8.332 1.00 0.00 H new ATOM 873 N ASP A 59 104.923 -8.213 -12.923 1.00 0.00 N ATOM 874 CA ASP A 59 104.783 -9.152 -14.072 1.00 0.00 C ATOM 875 C ASP A 59 103.763 -10.240 -13.727 1.00 0.00 C ATOM 876 O ASP A 59 102.815 -10.469 -14.451 1.00 0.00 O ATOM 877 CB ASP A 59 106.174 -9.756 -14.266 1.00 0.00 C ATOM 878 CG ASP A 59 106.343 -10.187 -15.725 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.608 -9.328 -16.548 1.00 0.00 O ATOM 880 OD2 ASP A 59 106.204 -11.369 -15.993 1.00 0.00 O ATOM 0 H ASP A 59 105.882 -7.999 -12.649 1.00 0.00 H new ATOM 0 HA ASP A 59 104.432 -8.657 -14.977 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.939 -9.027 -14.000 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.306 -10.612 -13.605 1.00 0.00 H new ATOM 885 N SER A 60 103.948 -10.908 -12.619 1.00 0.00 N ATOM 886 CA SER A 60 102.987 -11.973 -12.224 1.00 0.00 C ATOM 887 C SER A 60 101.552 -11.493 -12.459 1.00 0.00 C ATOM 888 O SER A 60 100.768 -12.146 -13.117 1.00 0.00 O ATOM 889 CB SER A 60 103.243 -12.202 -10.733 1.00 0.00 C ATOM 890 OG SER A 60 102.156 -11.679 -9.979 1.00 0.00 O ATOM 0 H SER A 60 104.723 -10.761 -11.973 1.00 0.00 H new ATOM 0 HA SER A 60 103.116 -12.888 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.359 -13.267 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 60 104.173 -11.718 -10.434 1.00 0.00 H new ATOM 0 HG SER A 60 102.479 -11.383 -9.102 1.00 0.00 H new ATOM 896 N CYS A 61 101.207 -10.352 -11.924 1.00 0.00 N ATOM 897 CA CYS A 61 99.827 -9.823 -12.117 1.00 0.00 C ATOM 898 C CYS A 61 99.602 -9.466 -13.587 1.00 0.00 C ATOM 899 O CYS A 61 98.523 -9.629 -14.120 1.00 0.00 O ATOM 900 CB CYS A 61 99.760 -8.568 -11.247 1.00 0.00 C ATOM 901 SG CYS A 61 99.830 -9.040 -9.502 1.00 0.00 S ATOM 0 H CYS A 61 101.822 -9.764 -11.362 1.00 0.00 H new ATOM 0 HA CYS A 61 99.063 -10.551 -11.844 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.588 -7.901 -11.488 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.840 -8.020 -11.450 1.00 0.00 H new ATOM 906 N LYS A 62 100.616 -8.978 -14.244 1.00 0.00 N ATOM 907 CA LYS A 62 100.470 -8.605 -15.679 1.00 0.00 C ATOM 908 C LYS A 62 100.385 -9.859 -16.555 1.00 0.00 C ATOM 909 O LYS A 62 100.107 -9.785 -17.735 1.00 0.00 O ATOM 910 CB LYS A 62 101.735 -7.809 -16.005 1.00 0.00 C ATOM 911 CG LYS A 62 101.514 -6.988 -17.277 1.00 0.00 C ATOM 912 CD LYS A 62 102.868 -6.646 -17.901 1.00 0.00 C ATOM 913 CE LYS A 62 102.878 -7.075 -19.369 1.00 0.00 C ATOM 914 NZ LYS A 62 103.847 -8.204 -19.434 1.00 0.00 N ATOM 0 H LYS A 62 101.543 -8.821 -13.848 1.00 0.00 H new ATOM 0 HA LYS A 62 99.562 -8.032 -15.865 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.986 -7.150 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.578 -8.487 -16.140 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.906 -7.551 -17.985 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.967 -6.074 -17.043 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.056 -5.575 -17.823 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.668 -7.150 -17.359 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.886 -7.387 -19.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 103.184 -6.254 -20.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 103.909 -8.553 -20.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.784 -7.876 -19.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.526 -8.973 -18.812 1.00 0.00 H new ATOM 928 N VAL A 63 100.622 -11.012 -15.989 1.00 0.00 N ATOM 929 CA VAL A 63 100.555 -12.264 -16.799 1.00 0.00 C ATOM 930 C VAL A 63 99.442 -13.181 -16.279 1.00 0.00 C ATOM 931 O VAL A 63 99.575 -14.389 -16.268 1.00 0.00 O ATOM 932 CB VAL A 63 101.922 -12.926 -16.623 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.006 -14.167 -17.513 1.00 0.00 C ATOM 934 CG2 VAL A 63 103.019 -11.937 -17.022 1.00 0.00 C ATOM 0 H VAL A 63 100.858 -11.142 -15.005 1.00 0.00 H new ATOM 0 HA VAL A 63 100.331 -12.062 -17.846 1.00 0.00 H new ATOM 0 HB VAL A 63 102.055 -13.218 -15.581 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.980 -14.639 -17.388 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.223 -14.871 -17.231 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.875 -13.877 -18.555 1.00 0.00 H new ATOM 0 HG21 VAL A 63 103.995 -12.406 -16.897 1.00 0.00 H new ATOM 0 HG22 VAL A 63 102.886 -11.647 -18.064 1.00 0.00 H new ATOM 0 HG23 VAL A 63 102.959 -11.052 -16.389 1.00 0.00 H new ATOM 944 N LEU A 64 98.343 -12.619 -15.857 1.00 0.00 N ATOM 945 CA LEU A 64 97.222 -13.463 -15.349 1.00 0.00 C ATOM 946 C LEU A 64 95.962 -13.204 -16.176 1.00 0.00 C ATOM 947 O LEU A 64 95.598 -13.986 -17.033 1.00 0.00 O ATOM 948 CB LEU A 64 97.011 -13.021 -13.898 1.00 0.00 C ATOM 949 CG LEU A 64 97.891 -13.860 -12.969 1.00 0.00 C ATOM 950 CD1 LEU A 64 97.570 -13.515 -11.515 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.618 -15.348 -13.209 1.00 0.00 C ATOM 0 H LEU A 64 98.172 -11.614 -15.841 1.00 0.00 H new ATOM 0 HA LEU A 64 97.441 -14.529 -15.418 1.00 0.00 H new ATOM 0 HB2 LEU A 64 97.256 -11.964 -13.790 1.00 0.00 H new ATOM 0 HB3 LEU A 64 95.963 -13.135 -13.622 1.00 0.00 H new ATOM 0 HG LEU A 64 98.940 -13.645 -13.173 1.00 0.00 H new ATOM 0 HD11 LEU A 64 98.196 -14.112 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 64 97.764 -12.457 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 64 96.521 -13.730 -11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 64 98.245 -15.944 -12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 96.569 -15.563 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.845 -15.597 -14.246 1.00 0.00 H new ATOM 963 N VAL A 65 95.294 -12.111 -15.932 1.00 0.00 N ATOM 964 CA VAL A 65 94.066 -11.799 -16.701 1.00 0.00 C ATOM 965 C VAL A 65 93.805 -10.301 -16.691 1.00 0.00 C ATOM 966 O VAL A 65 92.701 -9.839 -16.902 1.00 0.00 O ATOM 967 CB VAL A 65 92.959 -12.537 -15.970 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.608 -12.199 -16.600 1.00 0.00 C ATOM 969 CG2 VAL A 65 93.204 -14.045 -16.053 1.00 0.00 C ATOM 0 H VAL A 65 95.551 -11.419 -15.228 1.00 0.00 H new ATOM 0 HA VAL A 65 94.141 -12.098 -17.746 1.00 0.00 H new ATOM 0 HB VAL A 65 92.953 -12.230 -14.924 1.00 0.00 H new ATOM 0 HG11 VAL A 65 90.817 -12.731 -16.072 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.432 -11.125 -16.530 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.610 -12.499 -17.648 1.00 0.00 H new ATOM 0 HG21 VAL A 65 92.408 -14.572 -15.527 1.00 0.00 H new ATOM 0 HG22 VAL A 65 93.216 -14.355 -17.098 1.00 0.00 H new ATOM 0 HG23 VAL A 65 94.163 -14.284 -15.593 1.00 0.00 H new ATOM 979 N ASP A 66 94.832 -9.558 -16.453 1.00 0.00 N ATOM 980 CA ASP A 66 94.721 -8.068 -16.417 1.00 0.00 C ATOM 981 C ASP A 66 93.371 -7.638 -15.834 1.00 0.00 C ATOM 982 O ASP A 66 92.628 -6.897 -16.444 1.00 0.00 O ATOM 983 CB ASP A 66 94.842 -7.628 -17.877 1.00 0.00 C ATOM 984 CG ASP A 66 93.802 -8.364 -18.723 1.00 0.00 C ATOM 985 OD1 ASP A 66 92.624 -8.116 -18.528 1.00 0.00 O ATOM 986 OD2 ASP A 66 94.202 -9.165 -19.552 1.00 0.00 O ATOM 0 H ASP A 66 95.770 -9.918 -16.276 1.00 0.00 H new ATOM 0 HA ASP A 66 95.488 -7.617 -15.787 1.00 0.00 H new ATOM 0 HB2 ASP A 66 94.694 -6.551 -17.956 1.00 0.00 H new ATOM 0 HB3 ASP A 66 95.844 -7.840 -18.249 1.00 0.00 H new ATOM 991 N ASN A 67 93.049 -8.098 -14.656 1.00 0.00 N ATOM 992 CA ASN A 67 91.746 -7.715 -14.039 1.00 0.00 C ATOM 993 C ASN A 67 91.751 -8.025 -12.539 1.00 0.00 C ATOM 994 O ASN A 67 91.279 -9.061 -12.116 1.00 0.00 O ATOM 995 CB ASN A 67 90.703 -8.570 -14.760 1.00 0.00 C ATOM 996 CG ASN A 67 89.465 -7.723 -15.060 1.00 0.00 C ATOM 997 OD1 ASN A 67 88.774 -7.293 -14.158 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.153 -7.463 -16.300 1.00 0.00 N ATOM 0 H ASN A 67 93.630 -8.721 -14.095 1.00 0.00 H new ATOM 0 HA ASN A 67 91.542 -6.649 -14.138 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.119 -8.965 -15.687 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.430 -9.426 -14.143 1.00 0.00 H new ATOM 0 HD21 ASN A 67 88.330 -6.899 -16.511 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.732 -7.824 -17.058 1.00 0.00 H new ATOM 1005 N PRO A 68 92.284 -7.103 -11.782 1.00 0.00 N ATOM 1006 CA PRO A 68 92.350 -7.267 -10.312 1.00 0.00 C ATOM 1007 C PRO A 68 90.977 -7.000 -9.685 1.00 0.00 C ATOM 1008 O PRO A 68 90.818 -7.025 -8.481 1.00 0.00 O ATOM 1009 CB PRO A 68 93.360 -6.208 -9.880 1.00 0.00 C ATOM 1010 CG PRO A 68 93.320 -5.164 -10.952 1.00 0.00 C ATOM 1011 CD PRO A 68 92.870 -5.835 -12.226 1.00 0.00 C ATOM 0 HA PRO A 68 92.636 -8.272 -10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 68 93.097 -5.786 -8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 68 94.359 -6.634 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 68 92.635 -4.361 -10.679 1.00 0.00 H new ATOM 0 HG3 PRO A 68 94.303 -4.713 -11.084 1.00 0.00 H new ATOM 0 HD2 PRO A 68 92.141 -5.226 -12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 68 93.706 -6.000 -12.905 1.00 0.00 H new ATOM 1019 N TYR A 69 89.985 -6.745 -10.495 1.00 0.00 N ATOM 1020 CA TYR A 69 88.621 -6.475 -9.952 1.00 0.00 C ATOM 1021 C TYR A 69 87.738 -7.718 -10.094 1.00 0.00 C ATOM 1022 O TYR A 69 86.618 -7.642 -10.557 1.00 0.00 O ATOM 1023 CB TYR A 69 88.074 -5.334 -10.809 1.00 0.00 C ATOM 1024 CG TYR A 69 88.086 -4.039 -10.005 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.301 -3.495 -9.572 1.00 0.00 C ATOM 1026 CD2 TYR A 69 86.882 -3.393 -9.700 1.00 0.00 C ATOM 1027 CE1 TYR A 69 89.313 -2.305 -8.835 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.894 -2.203 -8.962 1.00 0.00 C ATOM 1029 CZ TYR A 69 88.109 -1.660 -8.529 1.00 0.00 C ATOM 1030 OH TYR A 69 88.121 -0.487 -7.801 1.00 0.00 O ATOM 0 H TYR A 69 90.060 -6.712 -11.512 1.00 0.00 H new ATOM 0 HA TYR A 69 88.643 -6.219 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.678 -5.220 -11.709 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.059 -5.563 -11.133 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.230 -3.994 -9.807 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.944 -3.812 -10.034 1.00 0.00 H new ATOM 0 HE1 TYR A 69 90.251 -1.885 -8.503 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.965 -1.704 -8.727 1.00 0.00 H new ATOM 0 HH TYR A 69 87.202 -0.169 -7.677 1.00 0.00 H new ATOM 1040 N THR A 70 88.231 -8.859 -9.695 1.00 0.00 N ATOM 1041 CA THR A 70 87.422 -10.103 -9.803 1.00 0.00 C ATOM 1042 C THR A 70 88.229 -11.304 -9.303 1.00 0.00 C ATOM 1043 O THR A 70 88.070 -12.411 -9.780 1.00 0.00 O ATOM 1044 CB THR A 70 87.111 -10.256 -11.293 1.00 0.00 C ATOM 1045 OG1 THR A 70 86.389 -11.461 -11.502 1.00 0.00 O ATOM 1046 CG2 THR A 70 88.417 -10.298 -12.085 1.00 0.00 C ATOM 0 H THR A 70 89.162 -8.982 -9.298 1.00 0.00 H new ATOM 0 HA THR A 70 86.514 -10.052 -9.202 1.00 0.00 H new ATOM 0 HB THR A 70 86.512 -9.410 -11.629 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.880 -12.210 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.195 -10.407 -13.147 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.971 -9.373 -11.923 1.00 0.00 H new ATOM 0 HG23 THR A 70 89.018 -11.144 -11.751 1.00 0.00 H new ATOM 1054 N ASN A 71 89.091 -11.097 -8.347 1.00 0.00 N ATOM 1055 CA ASN A 71 89.904 -12.231 -7.820 1.00 0.00 C ATOM 1056 C ASN A 71 89.203 -12.861 -6.613 1.00 0.00 C ATOM 1057 O ASN A 71 88.507 -12.197 -5.872 1.00 0.00 O ATOM 1058 CB ASN A 71 91.234 -11.603 -7.406 1.00 0.00 C ATOM 1059 CG ASN A 71 92.180 -12.694 -6.899 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.439 -12.773 -5.622 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 92.689 -13.481 -7.673 1.00 0.00 N flip ATOM 0 H ASN A 71 89.268 -10.194 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 71 90.042 -13.023 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 71 91.682 -11.084 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.070 -10.859 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 71 92.486 -13.419 -8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 71 93.319 -14.204 -7.325 1.00 0.00 H new ATOM 1068 N ASN A 72 89.379 -14.138 -6.411 1.00 0.00 N ATOM 1069 CA ASN A 72 88.719 -14.806 -5.251 1.00 0.00 C ATOM 1070 C ASN A 72 89.017 -14.039 -3.958 1.00 0.00 C ATOM 1071 O ASN A 72 88.126 -13.725 -3.194 1.00 0.00 O ATOM 1072 CB ASN A 72 89.330 -16.206 -5.201 1.00 0.00 C ATOM 1073 CG ASN A 72 88.222 -17.242 -4.997 1.00 0.00 C ATOM 1074 OD1 ASN A 72 88.339 -18.117 -4.162 1.00 0.00 O ATOM 1075 ND2 ASN A 72 87.143 -17.180 -5.730 1.00 0.00 N ATOM 0 H ASN A 72 89.950 -14.748 -6.997 1.00 0.00 H new ATOM 0 HA ASN A 72 87.634 -14.839 -5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 72 89.869 -16.412 -6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 72 90.055 -16.269 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 72 86.399 -17.866 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 72 87.044 -16.446 -6.431 1.00 0.00 H new ATOM 1082 N TYR A 73 90.262 -13.734 -3.709 1.00 0.00 N ATOM 1083 CA TYR A 73 90.615 -12.987 -2.467 1.00 0.00 C ATOM 1084 C TYR A 73 90.336 -13.846 -1.230 1.00 0.00 C ATOM 1085 O TYR A 73 89.248 -14.356 -1.049 1.00 0.00 O ATOM 1086 CB TYR A 73 89.713 -11.751 -2.476 1.00 0.00 C ATOM 1087 CG TYR A 73 90.391 -10.628 -1.728 1.00 0.00 C ATOM 1088 CD1 TYR A 73 90.560 -10.711 -0.341 1.00 0.00 C ATOM 1089 CD2 TYR A 73 90.852 -9.505 -2.423 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.190 -9.670 0.352 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.481 -8.463 -1.732 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.651 -8.545 -0.345 1.00 0.00 C ATOM 1093 OH TYR A 73 92.272 -7.518 0.337 1.00 0.00 O ATOM 0 H TYR A 73 91.050 -13.970 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 73 91.672 -12.721 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 73 89.506 -11.446 -3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 73 88.754 -11.984 -2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 73 90.204 -11.578 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 73 90.722 -9.442 -3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.320 -9.734 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.835 -7.596 -2.269 1.00 0.00 H new ATOM 0 HH TYR A 73 92.129 -6.674 -0.141 1.00 0.00 H new ATOM 1103 N SER A 74 91.311 -14.008 -0.378 1.00 0.00 N ATOM 1104 CA SER A 74 91.106 -14.831 0.849 1.00 0.00 C ATOM 1105 C SER A 74 91.871 -14.217 2.024 1.00 0.00 C ATOM 1106 O SER A 74 93.047 -13.930 1.926 1.00 0.00 O ATOM 1107 CB SER A 74 91.674 -16.207 0.503 1.00 0.00 C ATOM 1108 OG SER A 74 91.626 -16.392 -0.906 1.00 0.00 O ATOM 0 H SER A 74 92.243 -13.605 -0.478 1.00 0.00 H new ATOM 0 HA SER A 74 90.057 -14.886 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.701 -16.289 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.100 -16.987 1.004 1.00 0.00 H new ATOM 0 HG SER A 74 91.991 -17.273 -1.133 1.00 0.00 H new ATOM 1114 N TYR A 75 91.216 -14.010 3.134 1.00 0.00 N ATOM 1115 CA TYR A 75 91.920 -13.410 4.303 1.00 0.00 C ATOM 1116 C TYR A 75 91.172 -13.719 5.606 1.00 0.00 C ATOM 1117 O TYR A 75 90.094 -14.280 5.601 1.00 0.00 O ATOM 1118 CB TYR A 75 91.937 -11.902 4.017 1.00 0.00 C ATOM 1119 CG TYR A 75 90.627 -11.264 4.473 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.460 -11.448 3.722 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.594 -10.496 5.643 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.259 -10.863 4.144 1.00 0.00 C ATOM 1123 CE2 TYR A 75 89.393 -9.912 6.064 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.225 -10.096 5.314 1.00 0.00 C ATOM 1125 OH TYR A 75 87.042 -9.521 5.730 1.00 0.00 O ATOM 0 H TYR A 75 90.231 -14.229 3.282 1.00 0.00 H new ATOM 0 HA TYR A 75 92.925 -13.811 4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.776 -11.436 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.083 -11.728 2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.485 -12.040 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 75 91.495 -10.354 6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.358 -11.004 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 75 89.368 -9.320 6.967 1.00 0.00 H new ATOM 0 HH TYR A 75 87.194 -9.024 6.561 1.00 0.00 H new ATOM 1135 N SER A 76 91.742 -13.348 6.720 1.00 0.00 N ATOM 1136 CA SER A 76 91.076 -13.607 8.028 1.00 0.00 C ATOM 1137 C SER A 76 91.255 -12.395 8.946 1.00 0.00 C ATOM 1138 O SER A 76 91.836 -11.400 8.563 1.00 0.00 O ATOM 1139 CB SER A 76 91.790 -14.830 8.601 1.00 0.00 C ATOM 1140 OG SER A 76 90.924 -15.955 8.530 1.00 0.00 O ATOM 0 H SER A 76 92.644 -12.875 6.781 1.00 0.00 H new ATOM 0 HA SER A 76 90.004 -13.778 7.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 92.706 -15.026 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 76 92.080 -14.645 9.635 1.00 0.00 H new ATOM 0 HG SER A 76 91.380 -16.742 8.895 1.00 0.00 H new ATOM 1146 N CYS A 77 90.767 -12.465 10.152 1.00 0.00 N ATOM 1147 CA CYS A 77 90.925 -11.307 11.078 1.00 0.00 C ATOM 1148 C CYS A 77 90.861 -11.769 12.529 1.00 0.00 C ATOM 1149 O CYS A 77 90.461 -12.876 12.831 1.00 0.00 O ATOM 1150 CB CYS A 77 89.759 -10.371 10.762 1.00 0.00 C ATOM 1151 SG CYS A 77 89.788 -8.936 11.865 1.00 0.00 S ATOM 0 H CYS A 77 90.268 -13.268 10.536 1.00 0.00 H new ATOM 0 HA CYS A 77 91.888 -10.813 10.947 1.00 0.00 H new ATOM 0 HB2 CYS A 77 89.819 -10.042 9.725 1.00 0.00 H new ATOM 0 HB3 CYS A 77 88.815 -10.905 10.873 1.00 0.00 H new ATOM 1156 N SER A 78 91.256 -10.917 13.424 1.00 0.00 N ATOM 1157 CA SER A 78 91.233 -11.275 14.869 1.00 0.00 C ATOM 1158 C SER A 78 91.947 -10.193 15.685 1.00 0.00 C ATOM 1159 O SER A 78 93.003 -9.721 15.318 1.00 0.00 O ATOM 1160 CB SER A 78 91.981 -12.608 14.958 1.00 0.00 C ATOM 1161 OG SER A 78 93.047 -12.495 15.890 1.00 0.00 O ATOM 0 H SER A 78 91.598 -9.978 13.218 1.00 0.00 H new ATOM 0 HA SER A 78 90.221 -11.355 15.265 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.298 -13.400 15.266 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.369 -12.885 13.978 1.00 0.00 H new ATOM 0 HG SER A 78 93.524 -13.349 15.947 1.00 0.00 H new ATOM 1167 N ASN A 79 91.376 -9.795 16.788 1.00 0.00 N ATOM 1168 CA ASN A 79 92.021 -8.742 17.624 1.00 0.00 C ATOM 1169 C ASN A 79 92.280 -7.486 16.788 1.00 0.00 C ATOM 1170 O ASN A 79 93.364 -6.937 16.791 1.00 0.00 O ATOM 1171 CB ASN A 79 93.339 -9.358 18.093 1.00 0.00 C ATOM 1172 CG ASN A 79 93.052 -10.508 19.059 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.389 -10.324 20.061 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.526 -11.697 18.801 1.00 0.00 N ATOM 0 H ASN A 79 90.491 -10.153 17.147 1.00 0.00 H new ATOM 0 HA ASN A 79 91.393 -8.439 18.462 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.907 -9.722 17.237 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.951 -8.602 18.584 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.340 -12.470 19.440 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.083 -11.853 17.961 1.00 0.00 H new ATOM 1181 N ASN A 80 91.289 -7.026 16.079 1.00 0.00 N ATOM 1182 CA ASN A 80 91.455 -5.812 15.250 1.00 0.00 C ATOM 1183 C ASN A 80 92.685 -5.947 14.358 1.00 0.00 C ATOM 1184 O ASN A 80 93.468 -5.031 14.205 1.00 0.00 O ATOM 1185 CB ASN A 80 91.610 -4.673 16.247 1.00 0.00 C ATOM 1186 CG ASN A 80 90.597 -4.817 17.355 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.415 -5.227 17.063 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 90.888 -4.552 18.505 1.00 0.00 N flip ATOM 0 H ASN A 80 90.361 -7.448 16.041 1.00 0.00 H new ATOM 0 HA ASN A 80 90.611 -5.642 14.581 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.618 -4.676 16.662 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.476 -3.716 15.742 1.00 0.00 H new ATOM 0 HD21 ASN A 80 91.828 -4.227 18.731 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.192 -4.655 19.244 1.00 0.00 H new ATOM 1195 N GLU A 81 92.840 -7.088 13.761 1.00 0.00 N ATOM 1196 CA GLU A 81 93.994 -7.317 12.858 1.00 0.00 C ATOM 1197 C GLU A 81 93.504 -7.908 11.534 1.00 0.00 C ATOM 1198 O GLU A 81 92.325 -8.110 11.339 1.00 0.00 O ATOM 1199 CB GLU A 81 94.898 -8.305 13.594 1.00 0.00 C ATOM 1200 CG GLU A 81 95.367 -7.682 14.911 1.00 0.00 C ATOM 1201 CD GLU A 81 96.897 -7.611 14.938 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.510 -8.057 13.982 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.429 -7.111 15.915 1.00 0.00 O ATOM 0 H GLU A 81 92.208 -7.883 13.861 1.00 0.00 H new ATOM 0 HA GLU A 81 94.526 -6.395 12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.359 -9.232 13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.757 -8.560 12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 81 94.946 -6.683 15.021 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.007 -8.274 15.752 1.00 0.00 H new ATOM 1210 N ILE A 82 94.391 -8.190 10.622 1.00 0.00 N ATOM 1211 CA ILE A 82 93.948 -8.768 9.320 1.00 0.00 C ATOM 1212 C ILE A 82 94.866 -9.923 8.911 1.00 0.00 C ATOM 1213 O ILE A 82 96.075 -9.799 8.899 1.00 0.00 O ATOM 1214 CB ILE A 82 94.037 -7.615 8.321 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.865 -6.658 8.558 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.965 -8.162 6.893 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.835 -5.600 7.453 1.00 0.00 C ATOM 0 H ILE A 82 95.396 -8.047 10.719 1.00 0.00 H new ATOM 0 HA ILE A 82 92.939 -9.177 9.371 1.00 0.00 H new ATOM 0 HB ILE A 82 94.981 -7.087 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.927 -7.212 8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.965 -6.179 9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 82 94.029 -7.337 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.793 -8.850 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 82 93.021 -8.689 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.000 -4.920 7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.769 -5.038 7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.714 -6.088 6.486 1.00 0.00 H new ATOM 1229 N THR A 83 94.293 -11.048 8.587 1.00 0.00 N ATOM 1230 CA THR A 83 95.119 -12.223 8.188 1.00 0.00 C ATOM 1231 C THR A 83 94.919 -12.532 6.700 1.00 0.00 C ATOM 1232 O THR A 83 93.887 -12.242 6.127 1.00 0.00 O ATOM 1233 CB THR A 83 94.600 -13.376 9.056 1.00 0.00 C ATOM 1234 OG1 THR A 83 95.197 -13.298 10.343 1.00 0.00 O ATOM 1235 CG2 THR A 83 94.950 -14.719 8.411 1.00 0.00 C ATOM 0 H THR A 83 93.285 -11.206 8.581 1.00 0.00 H new ATOM 0 HA THR A 83 96.186 -12.051 8.331 1.00 0.00 H new ATOM 0 HB THR A 83 93.516 -13.298 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.867 -14.032 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 83 94.577 -15.531 9.035 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.491 -14.780 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.032 -14.805 8.313 1.00 0.00 H new ATOM 1243 N CYS A 84 95.898 -13.126 6.073 1.00 0.00 N ATOM 1244 CA CYS A 84 95.766 -13.463 4.627 1.00 0.00 C ATOM 1245 C CYS A 84 96.312 -14.869 4.364 1.00 0.00 C ATOM 1246 O CYS A 84 97.339 -15.254 4.887 1.00 0.00 O ATOM 1247 CB CYS A 84 96.602 -12.416 3.894 1.00 0.00 C ATOM 1248 SG CYS A 84 95.610 -11.678 2.573 1.00 0.00 S ATOM 0 H CYS A 84 96.785 -13.393 6.501 1.00 0.00 H new ATOM 0 HA CYS A 84 94.728 -13.456 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.933 -11.645 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.499 -12.876 3.478 1.00 0.00 H new ATOM 1253 N SER A 85 95.633 -15.637 3.560 1.00 0.00 N ATOM 1254 CA SER A 85 96.112 -17.017 3.266 1.00 0.00 C ATOM 1255 C SER A 85 97.497 -16.967 2.615 1.00 0.00 C ATOM 1256 O SER A 85 97.802 -16.072 1.854 1.00 0.00 O ATOM 1257 CB SER A 85 95.084 -17.594 2.297 1.00 0.00 C ATOM 1258 OG SER A 85 95.735 -18.474 1.390 1.00 0.00 O ATOM 0 H SER A 85 94.767 -15.369 3.093 1.00 0.00 H new ATOM 0 HA SER A 85 96.207 -17.623 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.309 -18.128 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.591 -16.790 1.751 1.00 0.00 H new ATOM 0 HG SER A 85 95.980 -19.301 1.855 1.00 0.00 H new ATOM 1264 N SER A 86 98.335 -17.920 2.910 1.00 0.00 N ATOM 1265 CA SER A 86 99.700 -17.924 2.308 1.00 0.00 C ATOM 1266 C SER A 86 99.627 -18.352 0.841 1.00 0.00 C ATOM 1267 O SER A 86 100.591 -18.255 0.107 1.00 0.00 O ATOM 1268 CB SER A 86 100.492 -18.941 3.128 1.00 0.00 C ATOM 1269 OG SER A 86 99.663 -20.057 3.421 1.00 0.00 O ATOM 0 H SER A 86 98.136 -18.696 3.541 1.00 0.00 H new ATOM 0 HA SER A 86 100.165 -16.938 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.374 -19.264 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.846 -18.484 4.052 1.00 0.00 H new ATOM 0 HG SER A 86 100.169 -20.712 3.946 1.00 0.00 H new ATOM 1275 N GLU A 87 98.490 -18.820 0.406 1.00 0.00 N ATOM 1276 CA GLU A 87 98.354 -19.248 -1.016 1.00 0.00 C ATOM 1277 C GLU A 87 98.483 -18.036 -1.940 1.00 0.00 C ATOM 1278 O GLU A 87 98.803 -18.159 -3.106 1.00 0.00 O ATOM 1279 CB GLU A 87 96.951 -19.847 -1.117 1.00 0.00 C ATOM 1280 CG GLU A 87 96.998 -21.333 -0.755 1.00 0.00 C ATOM 1281 CD GLU A 87 95.827 -22.058 -1.419 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.809 -21.423 -1.638 1.00 0.00 O ATOM 1283 OE2 GLU A 87 95.968 -23.239 -1.697 1.00 0.00 O ATOM 0 H GLU A 87 97.649 -18.925 0.973 1.00 0.00 H new ATOM 0 HA GLU A 87 99.124 -19.961 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.271 -19.321 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.563 -19.721 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.942 -21.768 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.949 -21.456 0.327 1.00 0.00 H new ATOM 1290 N ASN A 88 98.230 -16.865 -1.424 1.00 0.00 N ATOM 1291 CA ASN A 88 98.327 -15.640 -2.260 1.00 0.00 C ATOM 1292 C ASN A 88 99.662 -15.604 -3.006 1.00 0.00 C ATOM 1293 O ASN A 88 100.706 -15.399 -2.420 1.00 0.00 O ATOM 1294 CB ASN A 88 98.240 -14.480 -1.268 1.00 0.00 C ATOM 1295 CG ASN A 88 96.971 -14.624 -0.426 1.00 0.00 C ATOM 1296 OD1 ASN A 88 96.370 -15.679 -0.387 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.536 -13.600 0.255 1.00 0.00 N ATOM 0 H ASN A 88 97.959 -16.705 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 88 97.543 -15.596 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 88 99.119 -14.472 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.229 -13.530 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.691 -13.685 0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 88 97.041 -12.714 0.222 1.00 0.00 H new ATOM 1304 N ASN A 89 99.637 -15.797 -4.296 1.00 0.00 N ATOM 1305 CA ASN A 89 100.908 -15.765 -5.072 1.00 0.00 C ATOM 1306 C ASN A 89 101.441 -14.334 -5.141 1.00 0.00 C ATOM 1307 O ASN A 89 100.885 -13.423 -4.559 1.00 0.00 O ATOM 1308 CB ASN A 89 100.543 -16.266 -6.469 1.00 0.00 C ATOM 1309 CG ASN A 89 99.349 -15.474 -7.006 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.907 -14.525 -6.388 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.809 -15.824 -8.140 1.00 0.00 N ATOM 0 H ASN A 89 98.795 -15.975 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 89 101.684 -16.378 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.395 -16.156 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.301 -17.328 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.015 -15.301 -8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.181 -16.620 -8.658 1.00 0.00 H new ATOM 1318 N ALA A 90 102.515 -14.129 -5.848 1.00 0.00 N ATOM 1319 CA ALA A 90 103.086 -12.761 -5.959 1.00 0.00 C ATOM 1320 C ALA A 90 101.976 -11.738 -6.228 1.00 0.00 C ATOM 1321 O ALA A 90 102.095 -10.576 -5.893 1.00 0.00 O ATOM 1322 CB ALA A 90 104.048 -12.838 -7.144 1.00 0.00 C ATOM 0 H ALA A 90 103.024 -14.853 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 90 103.586 -12.444 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.516 -11.865 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.818 -13.583 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.498 -13.121 -8.041 1.00 0.00 H new ATOM 1328 N CYS A 91 100.899 -12.159 -6.833 1.00 0.00 N ATOM 1329 CA CYS A 91 99.789 -11.207 -7.124 1.00 0.00 C ATOM 1330 C CYS A 91 98.797 -11.159 -5.959 1.00 0.00 C ATOM 1331 O CYS A 91 98.592 -10.128 -5.349 1.00 0.00 O ATOM 1332 CB CYS A 91 99.111 -11.756 -8.381 1.00 0.00 C ATOM 1333 SG CYS A 91 98.347 -10.394 -9.295 1.00 0.00 S ATOM 0 H CYS A 91 100.740 -13.119 -7.138 1.00 0.00 H new ATOM 0 HA CYS A 91 100.154 -10.190 -7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.842 -12.265 -9.009 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.357 -12.494 -8.108 1.00 0.00 H new ATOM 1338 N GLU A 92 98.180 -12.264 -5.642 1.00 0.00 N ATOM 1339 CA GLU A 92 97.203 -12.273 -4.516 1.00 0.00 C ATOM 1340 C GLU A 92 97.869 -11.737 -3.250 1.00 0.00 C ATOM 1341 O GLU A 92 97.215 -11.256 -2.346 1.00 0.00 O ATOM 1342 CB GLU A 92 96.811 -13.739 -4.335 1.00 0.00 C ATOM 1343 CG GLU A 92 95.503 -14.012 -5.078 1.00 0.00 C ATOM 1344 CD GLU A 92 94.710 -15.089 -4.334 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.179 -15.531 -3.298 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.650 -15.453 -4.813 1.00 0.00 O ATOM 0 H GLU A 92 98.309 -13.160 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 92 96.334 -11.646 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.600 -14.387 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.694 -13.967 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.915 -13.097 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.712 -14.338 -6.097 1.00 0.00 H new ATOM 1353 N ALA A 93 99.168 -11.815 -3.181 1.00 0.00 N ATOM 1354 CA ALA A 93 99.882 -11.309 -1.976 1.00 0.00 C ATOM 1355 C ALA A 93 100.000 -9.784 -2.042 1.00 0.00 C ATOM 1356 O ALA A 93 99.647 -9.084 -1.113 1.00 0.00 O ATOM 1357 CB ALA A 93 101.262 -11.962 -2.029 1.00 0.00 C ATOM 0 H ALA A 93 99.767 -12.208 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 93 99.359 -11.548 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.851 -11.638 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 93 101.153 -13.046 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.768 -11.668 -2.949 1.00 0.00 H new ATOM 1363 N PHE A 94 100.490 -9.261 -3.135 1.00 0.00 N ATOM 1364 CA PHE A 94 100.624 -7.781 -3.255 1.00 0.00 C ATOM 1365 C PHE A 94 99.248 -7.116 -3.150 1.00 0.00 C ATOM 1366 O PHE A 94 99.112 -6.029 -2.624 1.00 0.00 O ATOM 1367 CB PHE A 94 101.227 -7.544 -4.640 1.00 0.00 C ATOM 1368 CG PHE A 94 101.685 -6.109 -4.747 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.743 -5.073 -4.756 1.00 0.00 C ATOM 1370 CD2 PHE A 94 103.051 -5.814 -4.835 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.167 -3.743 -4.852 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.474 -4.483 -4.931 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.533 -3.447 -4.940 1.00 0.00 C ATOM 0 H PHE A 94 100.802 -9.793 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 94 101.244 -7.359 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 94 102.067 -8.219 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.489 -7.761 -5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.689 -5.300 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.778 -6.613 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.440 -2.944 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.528 -4.255 -4.998 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.860 -2.420 -5.015 1.00 0.00 H new ATOM 1383 N ILE A 95 98.227 -7.762 -3.645 1.00 0.00 N ATOM 1384 CA ILE A 95 96.861 -7.166 -3.572 1.00 0.00 C ATOM 1385 C ILE A 95 96.352 -7.199 -2.130 1.00 0.00 C ATOM 1386 O ILE A 95 95.702 -6.283 -1.667 1.00 0.00 O ATOM 1387 CB ILE A 95 95.993 -8.049 -4.468 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.597 -8.098 -5.875 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.579 -7.471 -4.540 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.376 -6.753 -6.572 1.00 0.00 C ATOM 0 H ILE A 95 98.279 -8.675 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 95 96.846 -6.124 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 95 95.952 -9.057 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.663 -8.319 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 95 96.136 -8.899 -6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.960 -8.101 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.149 -7.436 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.619 -6.463 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.806 -6.787 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.307 -6.551 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 95 96.858 -5.962 -5.997 1.00 0.00 H new ATOM 1402 N CYS A 96 96.650 -8.249 -1.415 1.00 0.00 N ATOM 1403 CA CYS A 96 96.192 -8.343 0.000 1.00 0.00 C ATOM 1404 C CYS A 96 96.922 -7.303 0.853 1.00 0.00 C ATOM 1405 O CYS A 96 96.425 -6.856 1.867 1.00 0.00 O ATOM 1406 CB CYS A 96 96.565 -9.760 0.438 1.00 0.00 C ATOM 1407 SG CYS A 96 96.480 -9.885 2.242 1.00 0.00 S ATOM 0 H CYS A 96 97.191 -9.046 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 96 95.124 -8.152 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.888 -10.482 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.570 -10.004 0.094 1.00 0.00 H new ATOM 1412 N ASN A 97 98.101 -6.918 0.447 1.00 0.00 N ATOM 1413 CA ASN A 97 98.868 -5.910 1.230 1.00 0.00 C ATOM 1414 C ASN A 97 98.347 -4.501 0.933 1.00 0.00 C ATOM 1415 O ASN A 97 98.393 -3.622 1.771 1.00 0.00 O ATOM 1416 CB ASN A 97 100.313 -6.058 0.755 1.00 0.00 C ATOM 1417 CG ASN A 97 100.994 -7.183 1.527 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.397 -7.797 2.389 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.230 -7.481 1.248 1.00 0.00 N ATOM 0 H ASN A 97 98.566 -7.259 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 97 98.774 -6.063 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.335 -6.272 -0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.853 -5.123 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.700 -8.232 1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.728 -6.964 0.524 1.00 0.00 H new ATOM 1426 N CYS A 98 97.848 -4.281 -0.253 1.00 0.00 N ATOM 1427 CA CYS A 98 97.321 -2.931 -0.599 1.00 0.00 C ATOM 1428 C CYS A 98 96.083 -2.629 0.244 1.00 0.00 C ATOM 1429 O CYS A 98 95.978 -1.591 0.868 1.00 0.00 O ATOM 1430 CB CYS A 98 96.954 -3.017 -2.080 1.00 0.00 C ATOM 1431 SG CYS A 98 98.458 -3.225 -3.065 1.00 0.00 S ATOM 0 H CYS A 98 97.783 -4.977 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 98 98.044 -2.138 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.277 -3.854 -2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.427 -2.114 -2.388 1.00 0.00 H new ATOM 1436 N ASP A 99 95.146 -3.535 0.273 1.00 0.00 N ATOM 1437 CA ASP A 99 93.915 -3.309 1.082 1.00 0.00 C ATOM 1438 C ASP A 99 94.275 -3.233 2.567 1.00 0.00 C ATOM 1439 O ASP A 99 93.759 -2.414 3.301 1.00 0.00 O ATOM 1440 CB ASP A 99 93.031 -4.526 0.805 1.00 0.00 C ATOM 1441 CG ASP A 99 92.140 -4.246 -0.407 1.00 0.00 C ATOM 1442 OD1 ASP A 99 92.108 -3.107 -0.843 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.504 -5.175 -0.877 1.00 0.00 O ATOM 0 H ASP A 99 95.179 -4.423 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 99 93.413 -2.376 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.650 -5.404 0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.417 -4.748 1.677 1.00 0.00 H new ATOM 1448 N ARG A 100 95.164 -4.078 3.013 1.00 0.00 N ATOM 1449 CA ARG A 100 95.563 -4.052 4.449 1.00 0.00 C ATOM 1450 C ARG A 100 96.331 -2.765 4.757 1.00 0.00 C ATOM 1451 O ARG A 100 95.999 -2.035 5.669 1.00 0.00 O ATOM 1452 CB ARG A 100 96.465 -5.272 4.634 1.00 0.00 C ATOM 1453 CG ARG A 100 96.567 -5.608 6.123 1.00 0.00 C ATOM 1454 CD ARG A 100 97.819 -6.452 6.377 1.00 0.00 C ATOM 1455 NE ARG A 100 97.313 -7.723 6.938 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.141 -8.685 7.239 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.273 -8.412 7.829 1.00 0.00 N ATOM 1458 NH2 ARG A 100 97.837 -9.920 6.949 1.00 0.00 N ATOM 0 H ARG A 100 95.631 -4.785 2.445 1.00 0.00 H new ATOM 0 HA ARG A 100 94.703 -4.079 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 100 96.062 -6.123 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.456 -5.071 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.610 -4.691 6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.679 -6.152 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.376 -6.621 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.496 -5.955 7.072 1.00 0.00 H new ATOM 0 HE ARG A 100 96.312 -7.848 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.510 -7.446 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.920 -9.165 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 100 96.953 -10.133 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 100 98.484 -10.673 7.184 1.00 0.00 H new ATOM 1472 N ASN A 101 97.354 -2.477 3.997 1.00 0.00 N ATOM 1473 CA ASN A 101 98.137 -1.234 4.245 1.00 0.00 C ATOM 1474 C ASN A 101 97.197 -0.028 4.243 1.00 0.00 C ATOM 1475 O ASN A 101 97.418 0.949 4.931 1.00 0.00 O ATOM 1476 CB ASN A 101 99.123 -1.149 3.079 1.00 0.00 C ATOM 1477 CG ASN A 101 100.389 -1.927 3.423 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.522 -2.454 4.509 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.333 -2.020 2.531 1.00 0.00 N ATOM 0 H ASN A 101 97.680 -3.048 3.217 1.00 0.00 H new ATOM 0 HA ASN A 101 98.650 -1.244 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.669 -1.555 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.369 -0.107 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.187 -2.536 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.219 -1.577 1.620 1.00 0.00 H new ATOM 1486 N ALA A 102 96.143 -0.096 3.478 1.00 0.00 N ATOM 1487 CA ALA A 102 95.179 1.039 3.433 1.00 0.00 C ATOM 1488 C ALA A 102 94.215 0.946 4.619 1.00 0.00 C ATOM 1489 O ALA A 102 93.898 1.933 5.253 1.00 0.00 O ATOM 1490 CB ALA A 102 94.425 0.871 2.114 1.00 0.00 C ATOM 0 H ALA A 102 95.907 -0.889 2.882 1.00 0.00 H new ATOM 0 HA ALA A 102 95.674 2.008 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.694 1.673 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 102 95.130 0.911 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.912 -0.091 2.108 1.00 0.00 H new ATOM 1496 N ALA A 103 93.754 -0.235 4.928 1.00 0.00 N ATOM 1497 CA ALA A 103 92.819 -0.393 6.078 1.00 0.00 C ATOM 1498 C ALA A 103 93.547 -0.069 7.384 1.00 0.00 C ATOM 1499 O ALA A 103 93.006 0.562 8.271 1.00 0.00 O ATOM 1500 CB ALA A 103 92.396 -1.863 6.048 1.00 0.00 C ATOM 0 H ALA A 103 93.984 -1.097 4.434 1.00 0.00 H new ATOM 0 HA ALA A 103 91.960 0.275 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.704 -2.059 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.906 -2.081 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 103 93.276 -2.497 6.156 1.00 0.00 H new ATOM 1506 N ILE A 104 94.776 -0.490 7.503 1.00 0.00 N ATOM 1507 CA ILE A 104 95.550 -0.205 8.744 1.00 0.00 C ATOM 1508 C ILE A 104 95.782 1.301 8.884 1.00 0.00 C ATOM 1509 O ILE A 104 95.702 1.856 9.962 1.00 0.00 O ATOM 1510 CB ILE A 104 96.878 -0.934 8.555 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.637 -2.445 8.580 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.837 -0.553 9.684 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.838 -3.163 7.966 1.00 0.00 C ATOM 0 H ILE A 104 95.279 -1.021 6.792 1.00 0.00 H new ATOM 0 HA ILE A 104 95.028 -0.533 9.643 1.00 0.00 H new ATOM 0 HB ILE A 104 97.314 -0.650 7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.483 -2.782 9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.731 -2.689 8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.785 -1.074 9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.009 0.523 9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.402 -0.836 10.642 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.667 -4.239 7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.971 -2.834 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.734 -2.929 8.540 1.00 0.00 H new ATOM 1525 N CYS A 105 96.067 1.967 7.798 1.00 0.00 N ATOM 1526 CA CYS A 105 96.301 3.437 7.867 1.00 0.00 C ATOM 1527 C CYS A 105 95.022 4.139 8.327 1.00 0.00 C ATOM 1528 O CYS A 105 95.049 5.017 9.165 1.00 0.00 O ATOM 1529 CB CYS A 105 96.663 3.841 6.438 1.00 0.00 C ATOM 1530 SG CYS A 105 97.549 5.421 6.456 1.00 0.00 S ATOM 0 H CYS A 105 96.148 1.557 6.867 1.00 0.00 H new ATOM 0 HA CYS A 105 97.085 3.710 8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.282 3.071 5.978 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.760 3.926 5.834 1.00 0.00 H new ATOM 1535 N PHE A 106 93.897 3.748 7.789 1.00 0.00 N ATOM 1536 CA PHE A 106 92.616 4.378 8.199 1.00 0.00 C ATOM 1537 C PHE A 106 92.423 4.215 9.707 1.00 0.00 C ATOM 1538 O PHE A 106 92.003 5.124 10.396 1.00 0.00 O ATOM 1539 CB PHE A 106 91.535 3.609 7.439 1.00 0.00 C ATOM 1540 CG PHE A 106 91.806 3.680 5.956 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.450 4.798 5.412 1.00 0.00 C ATOM 1542 CD2 PHE A 106 91.413 2.624 5.124 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.701 4.859 4.035 1.00 0.00 C ATOM 1544 CE2 PHE A 106 91.664 2.687 3.748 1.00 0.00 C ATOM 1545 CZ PHE A 106 92.308 3.804 3.203 1.00 0.00 C ATOM 0 H PHE A 106 93.814 3.018 7.082 1.00 0.00 H new ATOM 0 HA PHE A 106 92.586 5.445 7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.517 2.569 7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.554 4.029 7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.753 5.613 6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.917 1.762 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 106 93.198 5.721 3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 106 91.360 1.873 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 106 92.502 3.852 2.142 1.00 0.00 H new ATOM 1555 N SER A 107 92.726 3.055 10.220 1.00 0.00 N ATOM 1556 CA SER A 107 92.564 2.814 11.682 1.00 0.00 C ATOM 1557 C SER A 107 93.814 3.271 12.438 1.00 0.00 C ATOM 1558 O SER A 107 93.845 3.292 13.653 1.00 0.00 O ATOM 1559 CB SER A 107 92.380 1.303 11.814 1.00 0.00 C ATOM 1560 OG SER A 107 93.655 0.675 11.839 1.00 0.00 O ATOM 0 H SER A 107 93.080 2.260 9.688 1.00 0.00 H new ATOM 0 HA SER A 107 91.723 3.367 12.101 1.00 0.00 H new ATOM 0 HB2 SER A 107 91.829 1.070 12.725 1.00 0.00 H new ATOM 0 HB3 SER A 107 91.791 0.923 10.980 1.00 0.00 H new ATOM 0 HG SER A 107 94.226 1.067 11.146 1.00 0.00 H new ATOM 1566 N LYS A 108 94.844 3.644 11.729 1.00 0.00 N ATOM 1567 CA LYS A 108 96.091 4.105 12.407 1.00 0.00 C ATOM 1568 C LYS A 108 96.141 5.633 12.413 1.00 0.00 C ATOM 1569 O LYS A 108 96.748 6.243 13.270 1.00 0.00 O ATOM 1570 CB LYS A 108 97.235 3.531 11.570 1.00 0.00 C ATOM 1571 CG LYS A 108 97.482 2.075 11.970 1.00 0.00 C ATOM 1572 CD LYS A 108 97.945 2.017 13.427 1.00 0.00 C ATOM 1573 CE LYS A 108 98.479 0.618 13.741 1.00 0.00 C ATOM 1574 NZ LYS A 108 99.278 0.783 14.987 1.00 0.00 N ATOM 0 H LYS A 108 94.877 3.650 10.710 1.00 0.00 H new ATOM 0 HA LYS A 108 96.148 3.777 13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 108 96.989 3.591 10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.140 4.119 11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 108 96.569 1.492 11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.236 1.631 11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 108 98.722 2.761 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 108 97.116 2.259 14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 108 97.665 -0.092 13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 108 99.094 0.237 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 99.678 -0.135 15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.049 1.460 14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 98.665 1.140 15.748 1.00 0.00 H new ATOM 1588 N VAL A 109 95.503 6.254 11.460 1.00 0.00 N ATOM 1589 CA VAL A 109 95.505 7.742 11.403 1.00 0.00 C ATOM 1590 C VAL A 109 94.160 8.284 11.894 1.00 0.00 C ATOM 1591 O VAL A 109 93.164 7.591 11.863 1.00 0.00 O ATOM 1592 CB VAL A 109 95.705 8.078 9.926 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.925 7.326 9.389 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.462 7.656 9.140 1.00 0.00 C ATOM 0 H VAL A 109 94.979 5.793 10.716 1.00 0.00 H new ATOM 0 HA VAL A 109 96.279 8.182 12.031 1.00 0.00 H new ATOM 0 HB VAL A 109 95.864 9.151 9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.066 7.567 8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.811 7.622 9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.768 6.253 9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.600 7.894 8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.307 6.583 9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.592 8.190 9.521 1.00 0.00 H new ATOM 1604 N PRO A 110 94.177 9.515 12.328 1.00 0.00 N ATOM 1605 CA PRO A 110 92.938 10.161 12.825 1.00 0.00 C ATOM 1606 C PRO A 110 91.993 10.470 11.664 1.00 0.00 C ATOM 1607 O PRO A 110 92.400 10.543 10.522 1.00 0.00 O ATOM 1608 CB PRO A 110 93.441 11.446 13.476 1.00 0.00 C ATOM 1609 CG PRO A 110 94.745 11.737 12.804 1.00 0.00 C ATOM 1610 CD PRO A 110 95.336 10.412 12.394 1.00 0.00 C ATOM 0 HA PRO A 110 92.374 9.533 13.514 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.733 12.263 13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.571 11.319 14.551 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.596 12.378 11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.417 12.266 13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.843 10.481 11.432 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.072 10.062 13.118 1.00 0.00 H new ATOM 1618 N TYR A 111 90.732 10.649 11.948 1.00 0.00 N ATOM 1619 CA TYR A 111 89.756 10.949 10.859 1.00 0.00 C ATOM 1620 C TYR A 111 89.256 12.392 10.972 1.00 0.00 C ATOM 1621 O TYR A 111 89.132 12.934 12.053 1.00 0.00 O ATOM 1622 CB TYR A 111 88.605 9.968 11.079 1.00 0.00 C ATOM 1623 CG TYR A 111 87.491 10.274 10.108 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.751 10.294 8.733 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.201 10.538 10.580 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.720 10.576 7.829 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.169 10.819 9.676 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.430 10.838 8.301 1.00 0.00 C ATOM 1629 OH TYR A 111 84.413 11.115 7.409 1.00 0.00 O ATOM 0 H TYR A 111 90.334 10.601 12.886 1.00 0.00 H new ATOM 0 HA TYR A 111 90.201 10.845 9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.953 8.945 10.939 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.240 10.043 12.103 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.748 10.092 8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.001 10.525 11.641 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.921 10.591 6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.172 11.021 10.040 1.00 0.00 H new ATOM 0 HH TYR A 111 83.980 10.279 7.137 1.00 0.00 H new ATOM 1639 N ASN A 112 88.965 13.015 9.864 1.00 0.00 N ATOM 1640 CA ASN A 112 88.470 14.421 9.905 1.00 0.00 C ATOM 1641 C ASN A 112 87.054 14.498 9.327 1.00 0.00 C ATOM 1642 O ASN A 112 86.863 14.785 8.162 1.00 0.00 O ATOM 1643 CB ASN A 112 89.447 15.211 9.034 1.00 0.00 C ATOM 1644 CG ASN A 112 90.621 15.689 9.889 1.00 0.00 C ATOM 1645 OD1 ASN A 112 91.722 14.989 9.913 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 90.537 16.711 10.540 1.00 0.00 N flip ATOM 0 H ASN A 112 89.048 12.612 8.931 1.00 0.00 H new ATOM 0 HA ASN A 112 88.422 14.813 10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.809 14.587 8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.941 16.064 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 112 89.676 17.258 10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.327 17.022 11.105 1.00 0.00 H new ATOM 1653 N LYS A 113 86.061 14.237 10.131 1.00 0.00 N ATOM 1654 CA LYS A 113 84.658 14.288 9.628 1.00 0.00 C ATOM 1655 C LYS A 113 84.354 15.663 9.024 1.00 0.00 C ATOM 1656 O LYS A 113 83.481 15.808 8.192 1.00 0.00 O ATOM 1657 CB LYS A 113 83.790 14.038 10.861 1.00 0.00 C ATOM 1658 CG LYS A 113 84.013 15.157 11.881 1.00 0.00 C ATOM 1659 CD LYS A 113 83.181 14.881 13.134 1.00 0.00 C ATOM 1660 CE LYS A 113 81.692 14.943 12.782 1.00 0.00 C ATOM 1661 NZ LYS A 113 81.154 13.596 13.124 1.00 0.00 N ATOM 0 H LYS A 113 86.160 13.990 11.116 1.00 0.00 H new ATOM 0 HA LYS A 113 84.475 13.555 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.739 13.996 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 113 84.039 13.074 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 113 85.070 15.221 12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 113 83.732 16.118 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 113 83.429 13.900 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 113 83.414 15.614 13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 113 81.186 15.725 13.348 1.00 0.00 H new ATOM 0 HE3 LYS A 113 81.546 15.169 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 80.137 13.564 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 81.649 12.872 12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 81.300 13.411 14.137 1.00 0.00 H new ATOM 1675 N GLU A 114 85.063 16.675 9.445 1.00 0.00 N ATOM 1676 CA GLU A 114 84.811 18.037 8.907 1.00 0.00 C ATOM 1677 C GLU A 114 85.241 18.132 7.439 1.00 0.00 C ATOM 1678 O GLU A 114 84.644 18.844 6.655 1.00 0.00 O ATOM 1679 CB GLU A 114 85.659 18.968 9.776 1.00 0.00 C ATOM 1680 CG GLU A 114 85.202 20.413 9.575 1.00 0.00 C ATOM 1681 CD GLU A 114 84.206 20.791 10.673 1.00 0.00 C ATOM 1682 OE1 GLU A 114 83.801 19.906 11.408 1.00 0.00 O ATOM 1683 OE2 GLU A 114 83.865 21.960 10.760 1.00 0.00 O ATOM 0 H GLU A 114 85.807 16.614 10.140 1.00 0.00 H new ATOM 0 HA GLU A 114 83.753 18.296 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.565 18.689 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.712 18.869 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 114 86.061 21.084 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.739 20.526 8.595 1.00 0.00 H new ATOM 1690 N HIS A 115 86.274 17.430 7.061 1.00 0.00 N ATOM 1691 CA HIS A 115 86.738 17.493 5.643 1.00 0.00 C ATOM 1692 C HIS A 115 85.868 16.600 4.756 1.00 0.00 C ATOM 1693 O HIS A 115 86.105 16.468 3.571 1.00 0.00 O ATOM 1694 CB HIS A 115 88.175 16.975 5.674 1.00 0.00 C ATOM 1695 CG HIS A 115 89.119 18.124 5.896 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.265 17.999 6.665 1.00 0.00 N ATOM 1697 CD2 HIS A 115 89.103 19.425 5.456 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.886 19.193 6.665 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.220 20.098 5.943 1.00 0.00 N ATOM 0 H HIS A 115 86.816 16.817 7.669 1.00 0.00 H new ATOM 0 HA HIS A 115 86.674 18.502 5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.290 16.238 6.469 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.412 16.472 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.340 19.860 4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.810 19.395 7.186 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.475 21.073 5.783 1.00 0.00 H new ATOM 1707 N LYS A 116 84.862 15.988 5.314 1.00 0.00 N ATOM 1708 CA LYS A 116 83.981 15.110 4.506 1.00 0.00 C ATOM 1709 C LYS A 116 83.376 15.899 3.341 1.00 0.00 C ATOM 1710 O LYS A 116 82.942 17.023 3.501 1.00 0.00 O ATOM 1711 CB LYS A 116 82.899 14.673 5.487 1.00 0.00 C ATOM 1712 CG LYS A 116 82.300 13.350 5.031 1.00 0.00 C ATOM 1713 CD LYS A 116 80.898 13.191 5.625 1.00 0.00 C ATOM 1714 CE LYS A 116 80.933 12.155 6.750 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.583 11.525 6.735 1.00 0.00 N ATOM 0 H LYS A 116 84.613 16.060 6.301 1.00 0.00 H new ATOM 0 HA LYS A 116 84.508 14.264 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.321 14.567 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.121 15.434 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.251 13.317 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.936 12.523 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.544 14.148 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.197 12.879 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 116 81.716 11.415 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.139 12.624 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 79.529 10.802 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 78.859 12.252 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.417 11.081 5.809 1.00 0.00 H new ATOM 1729 N ASN A 117 83.346 15.321 2.171 1.00 0.00 N ATOM 1730 CA ASN A 117 82.769 16.041 1.002 1.00 0.00 C ATOM 1731 C ASN A 117 83.558 17.325 0.729 1.00 0.00 C ATOM 1732 O ASN A 117 83.025 18.416 0.778 1.00 0.00 O ATOM 1733 CB ASN A 117 81.333 16.367 1.411 1.00 0.00 C ATOM 1734 CG ASN A 117 80.680 15.125 2.021 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.406 15.108 3.298 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 80.417 14.161 1.331 1.00 0.00 N flip ATOM 0 H ASN A 117 83.696 14.383 1.975 1.00 0.00 H new ATOM 0 HA ASN A 117 82.808 15.447 0.089 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.326 17.185 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.764 16.701 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 117 80.631 14.174 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.982 13.338 1.749 1.00 0.00 H new ATOM 1743 N LEU A 118 84.827 17.202 0.445 1.00 0.00 N ATOM 1744 CA LEU A 118 85.655 18.382 0.173 1.00 0.00 C ATOM 1745 C LEU A 118 85.403 18.866 -1.257 1.00 0.00 C ATOM 1746 O LEU A 118 84.732 18.218 -2.036 1.00 0.00 O ATOM 1747 CB LEU A 118 87.072 17.840 0.368 1.00 0.00 C ATOM 1748 CG LEU A 118 88.080 18.594 -0.485 1.00 0.00 C ATOM 1749 CD1 LEU A 118 88.389 19.953 0.147 1.00 0.00 C ATOM 1750 CD2 LEU A 118 89.371 17.778 -0.577 1.00 0.00 C ATOM 0 H LEU A 118 85.321 16.311 0.392 1.00 0.00 H new ATOM 0 HA LEU A 118 85.453 19.244 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 118 87.351 17.919 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 118 87.096 16.781 0.111 1.00 0.00 H new ATOM 0 HG LEU A 118 87.663 18.748 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 118 89.112 20.486 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 118 87.472 20.538 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.804 19.805 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 118 90.098 18.314 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.778 17.627 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 118 89.158 16.811 -1.032 1.00 0.00 H new ATOM 1762 N ASP A 119 85.933 19.999 -1.599 1.00 0.00 N ATOM 1763 CA ASP A 119 85.732 20.539 -2.975 1.00 0.00 C ATOM 1764 C ASP A 119 86.911 20.164 -3.876 1.00 0.00 C ATOM 1765 O ASP A 119 88.057 20.397 -3.546 1.00 0.00 O ATOM 1766 CB ASP A 119 85.650 22.056 -2.803 1.00 0.00 C ATOM 1767 CG ASP A 119 85.165 22.688 -4.109 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.951 21.952 -5.057 1.00 0.00 O ATOM 1769 OD2 ASP A 119 85.017 23.899 -4.137 1.00 0.00 O ATOM 0 H ASP A 119 86.501 20.582 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 119 84.836 20.134 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.968 22.305 -1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 119 86.627 22.456 -2.533 1.00 0.00 H new ATOM 1774 N LYS A 120 86.636 19.583 -5.011 1.00 0.00 N ATOM 1775 CA LYS A 120 87.729 19.189 -5.937 1.00 0.00 C ATOM 1776 C LYS A 120 88.558 20.413 -6.343 1.00 0.00 C ATOM 1777 O LYS A 120 89.634 20.290 -6.893 1.00 0.00 O ATOM 1778 CB LYS A 120 87.016 18.592 -7.150 1.00 0.00 C ATOM 1779 CG LYS A 120 86.108 17.450 -6.692 1.00 0.00 C ATOM 1780 CD LYS A 120 85.655 16.636 -7.905 1.00 0.00 C ATOM 1781 CE LYS A 120 85.999 15.161 -7.686 1.00 0.00 C ATOM 1782 NZ LYS A 120 87.423 15.034 -8.102 1.00 0.00 N ATOM 0 H LYS A 120 85.695 19.364 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 120 88.423 18.483 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 120 86.428 19.359 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.746 18.224 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.640 16.809 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 120 85.241 17.850 -6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.581 16.752 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.144 17.005 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.865 14.875 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 120 85.355 14.513 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 87.646 14.033 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 87.580 15.579 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 88.039 15.401 -7.349 1.00 0.00 H new ATOM 1796 N LYS A 121 88.063 21.591 -6.080 1.00 0.00 N ATOM 1797 CA LYS A 121 88.822 22.822 -6.455 1.00 0.00 C ATOM 1798 C LYS A 121 90.171 22.852 -5.750 1.00 0.00 C ATOM 1799 O LYS A 121 91.068 23.583 -6.120 1.00 0.00 O ATOM 1800 CB LYS A 121 87.953 23.977 -5.976 1.00 0.00 C ATOM 1801 CG LYS A 121 87.517 24.806 -7.175 1.00 0.00 C ATOM 1802 CD LYS A 121 86.158 24.311 -7.670 1.00 0.00 C ATOM 1803 CE LYS A 121 85.786 25.042 -8.962 1.00 0.00 C ATOM 1804 NZ LYS A 121 85.443 23.962 -9.928 1.00 0.00 N ATOM 0 H LYS A 121 87.167 21.756 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 121 89.022 22.870 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 121 87.080 23.596 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 121 88.508 24.597 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 121 87.454 25.859 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 121 88.256 24.729 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 121 86.193 23.236 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 121 85.397 24.485 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.943 25.715 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 121 86.615 25.649 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 85.177 24.384 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 86.266 23.341 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.646 23.406 -9.558 1.00 0.00 H new ATOM 1818 N ASN A 122 90.322 22.038 -4.762 1.00 0.00 N ATOM 1819 CA ASN A 122 91.613 21.969 -4.035 1.00 0.00 C ATOM 1820 C ASN A 122 92.427 20.831 -4.628 1.00 0.00 C ATOM 1821 O ASN A 122 93.594 20.652 -4.346 1.00 0.00 O ATOM 1822 CB ASN A 122 91.236 21.652 -2.595 1.00 0.00 C ATOM 1823 CG ASN A 122 91.054 22.952 -1.810 1.00 0.00 C ATOM 1824 OD1 ASN A 122 92.016 23.615 -1.480 1.00 0.00 O ATOM 1825 ND2 ASN A 122 89.851 23.347 -1.495 1.00 0.00 N ATOM 0 H ASN A 122 89.599 21.406 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 122 92.199 22.886 -4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 122 90.315 21.069 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 122 92.012 21.042 -2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 122 89.719 24.213 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 122 89.043 22.790 -1.772 1.00 0.00 H new ATOM 1832 N CYS A 123 91.784 20.057 -5.445 1.00 0.00 N ATOM 1833 CA CYS A 123 92.449 18.901 -6.087 1.00 0.00 C ATOM 1834 C CYS A 123 92.673 19.175 -7.577 1.00 0.00 C ATOM 1835 O CYS A 123 91.699 19.180 -8.311 1.00 0.00 O ATOM 1836 CB CYS A 123 91.454 17.763 -5.885 1.00 0.00 C ATOM 1837 SG CYS A 123 91.835 16.887 -4.348 1.00 0.00 S ATOM 1838 OXT CYS A 123 93.815 19.378 -7.957 1.00 0.00 O ATOM 0 H CYS A 123 90.804 20.180 -5.700 1.00 0.00 H new ATOM 0 HA CYS A 123 93.431 18.681 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.438 18.157 -5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 123 91.498 17.074 -6.728 1.00 0.00 H new TER 1843 CYS A 123