USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 TYR OH : rot -38:sc= -0.764 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -159:sc= 0.285 (180deg=0.204) USER MOD Set 2.1: A 78 SER OG : rot 51:sc= 0.176 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.782! C(o=-0.61!,f=-9.5!) USER MOD Set 3.1: A 74 SER OG : rot 180:sc= -0.0554 USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 48 HIS : no HD1:sc= -0.862 K(o=-0.15,f=-2.2!) USER MOD Set 4.2: A 52 TYR OH : rot -38:sc= 0.708 USER MOD Set 5.1: A 28 TYR OH : rot 135:sc= 0.0878 USER MOD Set 5.2: A 46 GLN : amide:sc= -6.05! C(o=-6!,f=-13!) USER MOD Set 6.1: A 24 ASN : amide:sc= 0 X(o=-2.7,f=-2.6) USER MOD Set 6.2: A 117 ASN : amide:sc= -2.74! C(o=-2.7!,f=-5.2!) USER MOD Set 7.1: A 12 LYS NZ :NH3+ 151:sc= -0.521 (180deg=-0.82) USER MOD Set 7.2: A 107 SER OG : rot -56:sc= 1.18 USER MOD Single : A 4 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.3!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -156:sc= -4.19! (180deg=-5.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -101:sc= 0.0462 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.064) USER MOD Single : A 25 TYR OH : rot -30:sc= -1.95! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 47 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 50 ASN : amide:sc= 0.882 K(o=0.88,f=-0.44) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.12) 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 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0634 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.0918 X(o=0.092,f=-0.059) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.776! C(o=-0.78!,f=-7.5!) USER MOD Single : A 89 ASN : amide:sc= -6.02! C(o=-6!,f=-26!) USER MOD Single : A 97 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.6!) USER MOD Single : A 101 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc= -0.0271 F(o=-1.1,f=-0.027) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 85.382 -4.836 -5.278 1.00 0.00 N ATOM 14 CA LEU A 2 86.375 -4.511 -4.217 1.00 0.00 C ATOM 15 C LEU A 2 85.711 -4.567 -2.839 1.00 0.00 C ATOM 16 O LEU A 2 86.334 -4.311 -1.828 1.00 0.00 O ATOM 17 CB LEU A 2 86.843 -3.091 -4.534 1.00 0.00 C ATOM 18 CG LEU A 2 88.015 -3.150 -5.516 1.00 0.00 C ATOM 19 CD1 LEU A 2 87.485 -3.109 -6.950 1.00 0.00 C ATOM 20 CD2 LEU A 2 88.936 -1.952 -5.284 1.00 0.00 C ATOM 0 HA LEU A 2 87.206 -5.216 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 2 86.024 -2.513 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 2 87.146 -2.583 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 2 88.570 -4.075 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 2 88.321 -3.151 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 2 86.827 -3.962 -7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 2 86.928 -2.185 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 2 89.771 -1.994 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 2 88.378 -1.029 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 2 89.317 -1.978 -4.263 1.00 0.00 H new ATOM 32 N TRP A 3 84.451 -4.905 -2.792 1.00 0.00 N ATOM 33 CA TRP A 3 83.749 -4.980 -1.480 1.00 0.00 C ATOM 34 C TRP A 3 84.616 -5.724 -0.461 1.00 0.00 C ATOM 35 O TRP A 3 84.594 -5.430 0.718 1.00 0.00 O ATOM 36 CB TRP A 3 82.464 -5.755 -1.763 1.00 0.00 C ATOM 37 CG TRP A 3 82.804 -7.146 -2.192 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.132 -7.511 -3.453 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.854 -8.361 -1.389 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.379 -8.872 -3.474 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.220 -9.439 -2.227 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.618 -8.628 -0.027 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.349 -10.738 -1.733 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.747 -9.934 0.473 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.112 -10.986 -0.380 1.00 0.00 C ATOM 0 H TRP A 3 83.878 -5.132 -3.605 1.00 0.00 H new ATOM 0 HA TRP A 3 83.544 -3.995 -1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.839 -5.781 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.888 -5.254 -2.541 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.191 -6.848 -4.304 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.646 -9.392 -4.310 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.336 -7.824 0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.630 -11.545 -2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 82.564 -10.129 1.519 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.210 -11.988 0.010 1.00 0.00 H new ATOM 56 N GLN A 4 85.388 -6.678 -0.906 1.00 0.00 N ATOM 57 CA GLN A 4 86.259 -7.429 0.042 1.00 0.00 C ATOM 58 C GLN A 4 87.126 -6.445 0.828 1.00 0.00 C ATOM 59 O GLN A 4 87.449 -6.663 1.979 1.00 0.00 O ATOM 60 CB GLN A 4 87.128 -8.327 -0.840 1.00 0.00 C ATOM 61 CG GLN A 4 86.397 -9.645 -1.104 1.00 0.00 C ATOM 62 CD GLN A 4 87.144 -10.788 -0.416 1.00 0.00 C ATOM 63 OE1 GLN A 4 88.165 -10.572 0.207 1.00 0.00 O ATOM 64 NE2 GLN A 4 86.677 -12.003 -0.499 1.00 0.00 N ATOM 0 H GLN A 4 85.453 -6.969 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 4 85.688 -8.010 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.348 -7.826 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.083 -8.520 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.375 -9.587 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.335 -9.830 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 4 85.820 -12.185 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.169 -12.771 -0.041 1.00 0.00 H new ATOM 73 N PHE A 5 87.494 -5.357 0.212 1.00 0.00 N ATOM 74 CA PHE A 5 88.330 -4.345 0.918 1.00 0.00 C ATOM 75 C PHE A 5 87.527 -3.718 2.059 1.00 0.00 C ATOM 76 O PHE A 5 88.059 -3.384 3.098 1.00 0.00 O ATOM 77 CB PHE A 5 88.664 -3.299 -0.146 1.00 0.00 C ATOM 78 CG PHE A 5 89.481 -2.190 0.473 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.313 -2.460 1.565 1.00 0.00 C ATOM 80 CD2 PHE A 5 89.408 -0.893 -0.047 1.00 0.00 C ATOM 81 CE1 PHE A 5 91.071 -1.431 2.138 1.00 0.00 C ATOM 82 CE2 PHE A 5 90.166 0.136 0.525 1.00 0.00 C ATOM 83 CZ PHE A 5 90.997 -0.135 1.618 1.00 0.00 C ATOM 0 H PHE A 5 87.252 -5.124 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 5 89.230 -4.776 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 5 89.219 -3.761 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.747 -2.894 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.371 -3.461 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.766 -0.685 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.713 -1.638 2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 5 90.109 1.137 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.582 0.658 2.060 1.00 0.00 H new ATOM 93 N ASN A 6 86.243 -3.561 1.872 1.00 0.00 N ATOM 94 CA ASN A 6 85.402 -2.962 2.946 1.00 0.00 C ATOM 95 C ASN A 6 85.365 -3.895 4.159 1.00 0.00 C ATOM 96 O ASN A 6 85.390 -3.457 5.292 1.00 0.00 O ATOM 97 CB ASN A 6 84.009 -2.829 2.329 1.00 0.00 C ATOM 98 CG ASN A 6 83.769 -1.374 1.919 1.00 0.00 C ATOM 99 OD1 ASN A 6 83.859 -1.036 0.756 1.00 0.00 O ATOM 100 ND2 ASN A 6 83.469 -0.493 2.834 1.00 0.00 N ATOM 0 H ASN A 6 85.742 -3.822 1.023 1.00 0.00 H new ATOM 0 HA ASN A 6 85.787 -2.002 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.920 -3.482 1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.251 -3.146 3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 6 83.310 0.480 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 6 83.394 -0.777 3.811 1.00 0.00 H new ATOM 107 N GLY A 7 85.308 -5.179 3.930 1.00 0.00 N ATOM 108 CA GLY A 7 85.273 -6.141 5.068 1.00 0.00 C ATOM 109 C GLY A 7 86.555 -5.997 5.889 1.00 0.00 C ATOM 110 O GLY A 7 86.548 -6.124 7.097 1.00 0.00 O ATOM 0 H GLY A 7 85.284 -5.604 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.402 -5.949 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.179 -7.161 4.695 1.00 0.00 H new ATOM 114 N MET A 8 87.656 -5.731 5.240 1.00 0.00 N ATOM 115 CA MET A 8 88.940 -5.575 5.982 1.00 0.00 C ATOM 116 C MET A 8 88.931 -4.268 6.780 1.00 0.00 C ATOM 117 O MET A 8 89.448 -4.197 7.877 1.00 0.00 O ATOM 118 CB MET A 8 90.018 -5.534 4.899 1.00 0.00 C ATOM 119 CG MET A 8 90.368 -6.960 4.473 1.00 0.00 C ATOM 120 SD MET A 8 91.989 -6.969 3.670 1.00 0.00 S ATOM 121 CE MET A 8 92.233 -8.761 3.672 1.00 0.00 C ATOM 0 H MET A 8 87.722 -5.615 4.229 1.00 0.00 H new ATOM 0 HA MET A 8 89.108 -6.382 6.695 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.664 -4.963 4.040 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.907 -5.027 5.275 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.377 -7.619 5.342 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.610 -7.343 3.790 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.299 -8.983 3.626 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.813 -9.184 4.584 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.734 -9.197 2.807 1.00 0.00 H new ATOM 131 N ILE A 9 88.343 -3.236 6.239 1.00 0.00 N ATOM 132 CA ILE A 9 88.298 -1.936 6.970 1.00 0.00 C ATOM 133 C ILE A 9 87.291 -2.018 8.118 1.00 0.00 C ATOM 134 O ILE A 9 87.459 -1.404 9.153 1.00 0.00 O ATOM 135 CB ILE A 9 87.834 -0.913 5.933 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.823 -0.879 4.768 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.762 0.473 6.580 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.382 0.180 3.756 1.00 0.00 C ATOM 0 H ILE A 9 87.892 -3.236 5.324 1.00 0.00 H new ATOM 0 HA ILE A 9 89.263 -1.671 7.402 1.00 0.00 H new ATOM 0 HB ILE A 9 86.848 -1.195 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.825 -0.653 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.871 -1.857 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.431 1.203 5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.055 0.451 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.748 0.753 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 9 89.087 0.205 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.388 -0.066 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.356 1.157 4.239 1.00 0.00 H new ATOM 150 N LYS A 10 86.243 -2.772 7.938 1.00 0.00 N ATOM 151 CA LYS A 10 85.217 -2.898 9.010 1.00 0.00 C ATOM 152 C LYS A 10 85.749 -3.756 10.160 1.00 0.00 C ATOM 153 O LYS A 10 85.470 -3.502 11.315 1.00 0.00 O ATOM 154 CB LYS A 10 84.030 -3.587 8.338 1.00 0.00 C ATOM 155 CG LYS A 10 83.119 -2.535 7.703 1.00 0.00 C ATOM 156 CD LYS A 10 81.819 -3.197 7.244 1.00 0.00 C ATOM 157 CE LYS A 10 81.832 -3.347 5.721 1.00 0.00 C ATOM 158 NZ LYS A 10 81.349 -4.734 5.469 1.00 0.00 N ATOM 0 H LYS A 10 86.052 -3.308 7.092 1.00 0.00 H new ATOM 0 HA LYS A 10 84.946 -1.932 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.383 -4.283 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 10 83.473 -4.171 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 10 82.903 -1.744 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.621 -2.068 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.710 -4.174 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 10 80.964 -2.596 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.184 -2.610 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.834 -3.198 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 81.330 -4.914 4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 81.989 -5.413 5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.391 -4.844 5.858 1.00 0.00 H new ATOM 172 N CYS A 11 86.505 -4.775 9.857 1.00 0.00 N ATOM 173 CA CYS A 11 87.038 -5.644 10.933 1.00 0.00 C ATOM 174 C CYS A 11 88.080 -4.882 11.750 1.00 0.00 C ATOM 175 O CYS A 11 88.190 -5.046 12.949 1.00 0.00 O ATOM 176 CB CYS A 11 87.684 -6.822 10.204 1.00 0.00 C ATOM 177 SG CYS A 11 87.809 -8.231 11.334 1.00 0.00 S ATOM 0 H CYS A 11 86.774 -5.040 8.910 1.00 0.00 H new ATOM 0 HA CYS A 11 86.264 -5.971 11.627 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.091 -7.093 9.331 1.00 0.00 H new ATOM 0 HB3 CYS A 11 88.674 -6.542 9.843 1.00 0.00 H new ATOM 182 N LYS A 12 88.848 -4.051 11.105 1.00 0.00 N ATOM 183 CA LYS A 12 89.892 -3.274 11.834 1.00 0.00 C ATOM 184 C LYS A 12 89.248 -2.245 12.773 1.00 0.00 C ATOM 185 O LYS A 12 89.689 -2.055 13.888 1.00 0.00 O ATOM 186 CB LYS A 12 90.699 -2.573 10.739 1.00 0.00 C ATOM 187 CG LYS A 12 91.579 -3.597 10.019 1.00 0.00 C ATOM 188 CD LYS A 12 93.049 -3.196 10.162 1.00 0.00 C ATOM 189 CE LYS A 12 93.534 -3.529 11.574 1.00 0.00 C ATOM 190 NZ LYS A 12 94.224 -2.295 12.043 1.00 0.00 N ATOM 0 H LYS A 12 88.799 -3.875 10.102 1.00 0.00 H new ATOM 0 HA LYS A 12 90.516 -3.914 12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.027 -2.092 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.318 -1.788 11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 91.419 -4.590 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 12 91.306 -3.650 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 12 93.654 -3.723 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.167 -2.130 9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 12 92.701 -3.788 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.212 -4.383 11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 94.151 -2.228 13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.226 -2.332 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 93.777 -1.462 11.610 1.00 0.00 H new ATOM 204 N ILE A 13 88.215 -1.577 12.332 1.00 0.00 N ATOM 205 CA ILE A 13 87.559 -0.562 13.211 1.00 0.00 C ATOM 206 C ILE A 13 86.088 -0.923 13.449 1.00 0.00 C ATOM 207 O ILE A 13 85.235 -0.618 12.641 1.00 0.00 O ATOM 208 CB ILE A 13 87.671 0.756 12.444 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.137 1.192 12.396 1.00 0.00 C ATOM 210 CG2 ILE A 13 86.843 1.831 13.151 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.382 2.023 11.135 1.00 0.00 C ATOM 0 H ILE A 13 87.799 -1.688 11.408 1.00 0.00 H new ATOM 0 HA ILE A 13 88.029 -0.507 14.193 1.00 0.00 H new ATOM 0 HB ILE A 13 87.297 0.619 11.429 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.383 1.776 13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.788 0.318 12.400 1.00 0.00 H new ATOM 0 HG21 ILE A 13 86.923 2.770 12.604 1.00 0.00 H new ATOM 0 HG22 ILE A 13 85.799 1.520 13.188 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.216 1.969 14.166 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.426 2.333 11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.153 1.424 10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.742 2.905 11.150 1.00 0.00 H new ATOM 223 N PRO A 14 85.847 -1.563 14.560 1.00 0.00 N ATOM 224 CA PRO A 14 84.469 -1.975 14.922 1.00 0.00 C ATOM 225 C PRO A 14 83.665 -0.778 15.443 1.00 0.00 C ATOM 226 O PRO A 14 82.459 -0.719 15.298 1.00 0.00 O ATOM 227 CB PRO A 14 84.684 -2.996 16.034 1.00 0.00 C ATOM 228 CG PRO A 14 86.010 -2.649 16.637 1.00 0.00 C ATOM 229 CD PRO A 14 86.829 -1.963 15.572 1.00 0.00 C ATOM 0 HA PRO A 14 83.909 -2.374 14.076 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.888 -2.942 16.777 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.685 -4.012 15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.879 -1.996 17.500 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.517 -3.547 16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.360 -1.100 15.973 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.580 -2.634 15.154 1.00 0.00 H new ATOM 237 N SER A 15 84.320 0.170 16.057 1.00 0.00 N ATOM 238 CA SER A 15 83.588 1.354 16.595 1.00 0.00 C ATOM 239 C SER A 15 83.081 2.243 15.456 1.00 0.00 C ATOM 240 O SER A 15 81.949 2.685 15.461 1.00 0.00 O ATOM 241 CB SER A 15 84.619 2.103 17.439 1.00 0.00 C ATOM 242 OG SER A 15 85.826 2.232 16.699 1.00 0.00 O ATOM 0 H SER A 15 85.329 0.177 16.209 1.00 0.00 H new ATOM 0 HA SER A 15 82.712 1.063 17.175 1.00 0.00 H new ATOM 0 HB2 SER A 15 84.238 3.088 17.710 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.805 1.566 18.369 1.00 0.00 H new ATOM 0 HG SER A 15 86.471 1.561 17.006 1.00 0.00 H new ATOM 248 N SER A 16 83.907 2.516 14.484 1.00 0.00 N ATOM 249 CA SER A 16 83.463 3.385 13.354 1.00 0.00 C ATOM 250 C SER A 16 83.122 2.537 12.125 1.00 0.00 C ATOM 251 O SER A 16 83.565 1.414 11.989 1.00 0.00 O ATOM 252 CB SER A 16 84.655 4.294 13.065 1.00 0.00 C ATOM 253 OG SER A 16 84.296 5.642 13.339 1.00 0.00 O ATOM 0 H SER A 16 84.867 2.177 14.422 1.00 0.00 H new ATOM 0 HA SER A 16 82.565 3.952 13.600 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.507 4.001 13.678 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.961 4.192 12.024 1.00 0.00 H new ATOM 0 HG SER A 16 85.060 6.228 13.156 1.00 0.00 H new ATOM 259 N GLU A 17 82.338 3.070 11.226 1.00 0.00 N ATOM 260 CA GLU A 17 81.968 2.298 10.004 1.00 0.00 C ATOM 261 C GLU A 17 82.592 2.946 8.762 1.00 0.00 C ATOM 262 O GLU A 17 82.536 4.147 8.594 1.00 0.00 O ATOM 263 CB GLU A 17 80.442 2.366 9.938 1.00 0.00 C ATOM 264 CG GLU A 17 79.844 1.347 10.910 1.00 0.00 C ATOM 265 CD GLU A 17 80.329 1.649 12.329 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.947 2.680 12.859 1.00 0.00 O ATOM 267 OE2 GLU A 17 81.075 0.844 12.863 1.00 0.00 O ATOM 0 H GLU A 17 81.938 4.006 11.285 1.00 0.00 H new ATOM 0 HA GLU A 17 82.327 1.269 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 17 80.101 3.370 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 17 80.102 2.160 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 17 78.755 1.386 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 17 80.137 0.338 10.621 1.00 0.00 H new ATOM 274 N PRO A 18 83.172 2.120 7.933 1.00 0.00 N ATOM 275 CA PRO A 18 83.821 2.614 6.693 1.00 0.00 C ATOM 276 C PRO A 18 82.773 2.994 5.640 1.00 0.00 C ATOM 277 O PRO A 18 83.102 3.469 4.571 1.00 0.00 O ATOM 278 CB PRO A 18 84.649 1.423 6.223 1.00 0.00 C ATOM 279 CG PRO A 18 83.973 0.221 6.808 1.00 0.00 C ATOM 280 CD PRO A 18 83.281 0.664 8.072 1.00 0.00 C ATOM 0 HA PRO A 18 84.419 3.510 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.678 1.368 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.681 1.501 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.254 -0.196 6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 18 84.700 -0.562 7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.300 0.199 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.856 0.391 8.957 1.00 0.00 H new ATOM 288 N LEU A 19 81.517 2.788 5.928 1.00 0.00 N ATOM 289 CA LEU A 19 80.461 3.139 4.935 1.00 0.00 C ATOM 290 C LEU A 19 79.638 4.331 5.430 1.00 0.00 C ATOM 291 O LEU A 19 78.778 4.835 4.735 1.00 0.00 O ATOM 292 CB LEU A 19 79.585 1.890 4.826 1.00 0.00 C ATOM 293 CG LEU A 19 80.159 0.959 3.757 1.00 0.00 C ATOM 294 CD1 LEU A 19 79.811 -0.491 4.099 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.558 1.319 2.396 1.00 0.00 C ATOM 0 H LEU A 19 81.177 2.393 6.805 1.00 0.00 H new ATOM 0 HA LEU A 19 80.883 3.426 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.543 1.377 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.563 2.170 4.570 1.00 0.00 H new ATOM 0 HG LEU A 19 81.243 1.072 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 19 80.221 -1.153 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 80.236 -0.748 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 19 78.728 -0.606 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.965 0.657 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.475 1.205 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.805 2.352 2.151 1.00 0.00 H new ATOM 307 N LEU A 20 79.896 4.787 6.624 1.00 0.00 N ATOM 308 CA LEU A 20 79.127 5.947 7.160 1.00 0.00 C ATOM 309 C LEU A 20 80.057 7.143 7.373 1.00 0.00 C ATOM 310 O LEU A 20 79.641 8.283 7.318 1.00 0.00 O ATOM 311 CB LEU A 20 78.560 5.464 8.495 1.00 0.00 C ATOM 312 CG LEU A 20 77.582 4.317 8.248 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.198 3.677 9.583 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.326 4.860 7.562 1.00 0.00 C ATOM 0 H LEU A 20 80.605 4.408 7.252 1.00 0.00 H new ATOM 0 HA LEU A 20 78.341 6.273 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.368 5.133 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.054 6.284 9.005 1.00 0.00 H new ATOM 0 HG LEU A 20 78.052 3.569 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.500 2.859 9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.093 3.292 10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.727 4.424 10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.626 4.043 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.857 5.608 8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.600 5.316 6.611 1.00 0.00 H new ATOM 326 N ASP A 21 81.315 6.892 7.617 1.00 0.00 N ATOM 327 CA ASP A 21 82.271 8.017 7.835 1.00 0.00 C ATOM 328 C ASP A 21 83.605 7.720 7.144 1.00 0.00 C ATOM 329 O ASP A 21 84.662 7.885 7.716 1.00 0.00 O ATOM 330 CB ASP A 21 82.457 8.085 9.351 1.00 0.00 C ATOM 331 CG ASP A 21 82.037 9.466 9.858 1.00 0.00 C ATOM 332 OD1 ASP A 21 81.388 10.178 9.108 1.00 0.00 O ATOM 333 OD2 ASP A 21 82.369 9.788 10.986 1.00 0.00 O ATOM 0 H ASP A 21 81.722 5.959 7.675 1.00 0.00 H new ATOM 0 HA ASP A 21 81.904 8.958 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 21 81.861 7.312 9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.499 7.893 9.609 1.00 0.00 H new ATOM 338 N PHE A 22 83.561 7.283 5.915 1.00 0.00 N ATOM 339 CA PHE A 22 84.826 6.975 5.187 1.00 0.00 C ATOM 340 C PHE A 22 84.599 7.063 3.676 1.00 0.00 C ATOM 341 O PHE A 22 85.387 7.638 2.951 1.00 0.00 O ATOM 342 CB PHE A 22 85.179 5.544 5.592 1.00 0.00 C ATOM 343 CG PHE A 22 86.068 5.564 6.813 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.422 5.898 6.689 1.00 0.00 C ATOM 345 CD2 PHE A 22 85.538 5.244 8.069 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.244 5.913 7.822 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.361 5.259 9.201 1.00 0.00 C ATOM 348 CZ PHE A 22 87.715 5.595 9.077 1.00 0.00 C ATOM 0 H PHE A 22 82.705 7.126 5.383 1.00 0.00 H new ATOM 0 HA PHE A 22 85.624 7.676 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 22 84.270 4.981 5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 22 85.685 5.038 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.832 6.144 5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 22 84.494 4.986 8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.289 6.171 7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 22 85.952 5.012 10.170 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.350 5.609 9.950 1.00 0.00 H new ATOM 358 N ASN A 23 83.528 6.491 3.195 1.00 0.00 N ATOM 359 CA ASN A 23 83.248 6.537 1.731 1.00 0.00 C ATOM 360 C ASN A 23 83.245 7.986 1.234 1.00 0.00 C ATOM 361 O ASN A 23 82.972 8.906 1.978 1.00 0.00 O ATOM 362 CB ASN A 23 81.860 5.914 1.576 1.00 0.00 C ATOM 363 CG ASN A 23 82.003 4.439 1.198 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.172 3.896 0.498 1.00 0.00 O ATOM 365 ND2 ASN A 23 83.031 3.766 1.634 1.00 0.00 N ATOM 0 H ASN A 23 82.834 5.993 3.753 1.00 0.00 H new ATOM 0 HA ASN A 23 84.002 6.006 1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.301 6.009 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 23 81.295 6.444 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 23 83.138 2.782 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 23 83.728 4.223 2.222 1.00 0.00 H new ATOM 372 N ASN A 24 83.545 8.190 -0.020 1.00 0.00 N ATOM 373 CA ASN A 24 83.558 9.575 -0.574 1.00 0.00 C ATOM 374 C ASN A 24 84.188 10.544 0.430 1.00 0.00 C ATOM 375 O ASN A 24 83.520 11.386 0.998 1.00 0.00 O ATOM 376 CB ASN A 24 82.086 9.915 -0.804 1.00 0.00 C ATOM 377 CG ASN A 24 81.964 10.928 -1.943 1.00 0.00 C ATOM 378 OD1 ASN A 24 81.764 12.102 -1.708 1.00 0.00 O ATOM 379 ND2 ASN A 24 82.075 10.520 -3.177 1.00 0.00 N ATOM 0 H ASN A 24 83.782 7.455 -0.687 1.00 0.00 H new ATOM 0 HA ASN A 24 84.144 9.651 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.527 9.011 -1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.650 10.324 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.994 11.187 -3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 24 82.243 9.534 -3.375 1.00 0.00 H new ATOM 386 N TYR A 25 85.469 10.430 0.657 1.00 0.00 N ATOM 387 CA TYR A 25 86.140 11.342 1.627 1.00 0.00 C ATOM 388 C TYR A 25 87.488 11.803 1.067 1.00 0.00 C ATOM 389 O TYR A 25 88.104 11.123 0.271 1.00 0.00 O ATOM 390 CB TYR A 25 86.339 10.488 2.881 1.00 0.00 C ATOM 391 CG TYR A 25 87.106 11.271 3.919 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.506 11.234 3.930 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.418 12.029 4.873 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.217 11.957 4.895 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.130 12.752 5.839 1.00 0.00 C ATOM 396 CZ TYR A 25 88.529 12.715 5.849 1.00 0.00 C ATOM 397 OH TYR A 25 89.229 13.425 6.801 1.00 0.00 O ATOM 0 H TYR A 25 86.080 9.745 0.212 1.00 0.00 H new ATOM 0 HA TYR A 25 85.559 12.242 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.372 10.185 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.879 9.576 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.037 10.648 3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.338 12.057 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.297 11.930 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.600 13.337 6.575 1.00 0.00 H new ATOM 0 HH TYR A 25 90.071 12.965 6.999 1.00 0.00 H new ATOM 407 N GLY A 26 87.952 12.954 1.467 1.00 0.00 N ATOM 408 CA GLY A 26 89.260 13.442 0.947 1.00 0.00 C ATOM 409 C GLY A 26 89.288 13.312 -0.574 1.00 0.00 C ATOM 410 O GLY A 26 88.268 13.148 -1.214 1.00 0.00 O ATOM 0 H GLY A 26 87.485 13.575 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.412 14.482 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.075 12.866 1.386 1.00 0.00 H new ATOM 414 N CYS A 27 90.450 13.395 -1.154 1.00 0.00 N ATOM 415 CA CYS A 27 90.555 13.288 -2.639 1.00 0.00 C ATOM 416 C CYS A 27 90.789 11.837 -3.075 1.00 0.00 C ATOM 417 O CYS A 27 90.513 11.472 -4.201 1.00 0.00 O ATOM 418 CB CYS A 27 91.763 14.152 -3.010 1.00 0.00 C ATOM 419 SG CYS A 27 91.604 15.780 -2.237 1.00 0.00 S ATOM 0 H CYS A 27 91.335 13.533 -0.666 1.00 0.00 H new ATOM 0 HA CYS A 27 89.639 13.614 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.683 13.670 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.829 14.257 -4.093 1.00 0.00 H new ATOM 424 N TYR A 28 91.307 11.006 -2.210 1.00 0.00 N ATOM 425 CA TYR A 28 91.561 9.591 -2.611 1.00 0.00 C ATOM 426 C TYR A 28 90.514 8.646 -2.009 1.00 0.00 C ATOM 427 O TYR A 28 90.085 7.705 -2.647 1.00 0.00 O ATOM 428 CB TYR A 28 92.956 9.278 -2.074 1.00 0.00 C ATOM 429 CG TYR A 28 93.980 9.995 -2.920 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.308 9.501 -4.189 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.598 11.158 -2.442 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.254 10.167 -4.977 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.543 11.825 -3.231 1.00 0.00 C ATOM 434 CZ TYR A 28 95.870 11.329 -4.499 1.00 0.00 C ATOM 435 OH TYR A 28 96.800 11.987 -5.278 1.00 0.00 O ATOM 0 H TYR A 28 91.563 11.242 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 28 91.497 9.456 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 28 93.039 9.594 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.135 8.203 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.831 8.606 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.345 11.540 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.509 9.784 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 28 96.019 12.721 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 28 96.624 12.951 -5.254 1.00 0.00 H new ATOM 445 N CYS A 29 90.094 8.878 -0.795 1.00 0.00 N ATOM 446 CA CYS A 29 89.073 7.972 -0.188 1.00 0.00 C ATOM 447 C CYS A 29 87.735 8.132 -0.914 1.00 0.00 C ATOM 448 O CYS A 29 87.275 9.231 -1.152 1.00 0.00 O ATOM 449 CB CYS A 29 88.951 8.411 1.270 1.00 0.00 C ATOM 450 SG CYS A 29 90.601 8.516 2.003 1.00 0.00 S ATOM 0 H CYS A 29 90.408 9.646 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 29 89.357 6.923 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.452 9.378 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.338 7.701 1.825 1.00 0.00 H new ATOM 455 N GLY A 30 87.108 7.044 -1.269 1.00 0.00 N ATOM 456 CA GLY A 30 85.801 7.136 -1.980 1.00 0.00 C ATOM 457 C GLY A 30 86.029 6.979 -3.486 1.00 0.00 C ATOM 458 O GLY A 30 87.027 7.421 -4.021 1.00 0.00 O ATOM 0 H GLY A 30 87.444 6.096 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.124 6.361 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.327 8.095 -1.771 1.00 0.00 H new ATOM 506 N GLY A 35 93.427 13.724 -6.892 1.00 0.00 N ATOM 507 CA GLY A 35 94.271 14.947 -6.779 1.00 0.00 C ATOM 508 C GLY A 35 95.025 14.930 -5.448 1.00 0.00 C ATOM 509 O GLY A 35 94.962 13.974 -4.700 1.00 0.00 O ATOM 0 HA2 GLY A 35 94.977 14.991 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.647 15.839 -6.844 1.00 0.00 H new ATOM 513 N THR A 36 95.736 15.981 -5.147 1.00 0.00 N ATOM 514 CA THR A 36 96.494 16.029 -3.864 1.00 0.00 C ATOM 515 C THR A 36 95.581 15.644 -2.698 1.00 0.00 C ATOM 516 O THR A 36 94.407 15.958 -2.698 1.00 0.00 O ATOM 517 CB THR A 36 96.952 17.482 -3.733 1.00 0.00 C ATOM 518 OG1 THR A 36 97.487 17.921 -4.973 1.00 0.00 O ATOM 519 CG2 THR A 36 98.025 17.589 -2.647 1.00 0.00 C ATOM 0 H THR A 36 95.825 16.810 -5.734 1.00 0.00 H new ATOM 0 HA THR A 36 97.334 15.334 -3.851 1.00 0.00 H new ATOM 0 HB THR A 36 96.101 18.106 -3.461 1.00 0.00 H new ATOM 0 HG1 THR A 36 97.780 18.853 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.349 18.626 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.614 17.253 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.877 16.965 -2.915 1.00 0.00 H new ATOM 527 N PRO A 37 96.157 14.973 -1.737 1.00 0.00 N ATOM 528 CA PRO A 37 95.389 14.538 -0.546 1.00 0.00 C ATOM 529 C PRO A 37 95.066 15.741 0.346 1.00 0.00 C ATOM 530 O PRO A 37 95.326 16.873 -0.008 1.00 0.00 O ATOM 531 CB PRO A 37 96.337 13.573 0.160 1.00 0.00 C ATOM 532 CG PRO A 37 97.705 13.980 -0.287 1.00 0.00 C ATOM 533 CD PRO A 37 97.563 14.563 -1.670 1.00 0.00 C ATOM 0 HA PRO A 37 94.432 14.078 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.238 13.644 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.124 12.539 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.132 14.712 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.378 13.123 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.234 15.410 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.802 13.829 -2.440 1.00 0.00 H new ATOM 541 N VAL A 38 94.503 15.504 1.500 1.00 0.00 N ATOM 542 CA VAL A 38 94.167 16.637 2.410 1.00 0.00 C ATOM 543 C VAL A 38 94.468 16.256 3.863 1.00 0.00 C ATOM 544 O VAL A 38 95.027 17.031 4.614 1.00 0.00 O ATOM 545 CB VAL A 38 92.670 16.875 2.215 1.00 0.00 C ATOM 546 CG1 VAL A 38 92.431 17.557 0.866 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.931 15.536 2.243 1.00 0.00 C ATOM 0 H VAL A 38 94.262 14.577 1.851 1.00 0.00 H new ATOM 0 HA VAL A 38 94.751 17.530 2.189 1.00 0.00 H new ATOM 0 HB VAL A 38 92.299 17.513 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 38 91.363 17.726 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.956 18.512 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.804 16.919 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.863 15.707 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.304 14.898 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 92.098 15.048 3.203 1.00 0.00 H new ATOM 557 N ASP A 39 94.100 15.071 4.268 1.00 0.00 N ATOM 558 CA ASP A 39 94.365 14.649 5.671 1.00 0.00 C ATOM 559 C ASP A 39 95.139 13.327 5.691 1.00 0.00 C ATOM 560 O ASP A 39 95.283 12.666 4.680 1.00 0.00 O ATOM 561 CB ASP A 39 92.982 14.471 6.295 1.00 0.00 C ATOM 562 CG ASP A 39 92.092 13.661 5.351 1.00 0.00 C ATOM 563 OD1 ASP A 39 92.425 12.516 5.091 1.00 0.00 O ATOM 564 OD2 ASP A 39 91.090 14.198 4.906 1.00 0.00 O ATOM 0 H ASP A 39 93.628 14.378 3.688 1.00 0.00 H new ATOM 0 HA ASP A 39 94.969 15.376 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 39 93.068 13.962 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.532 15.445 6.489 1.00 0.00 H new ATOM 569 N ASP A 40 95.639 12.938 6.832 1.00 0.00 N ATOM 570 CA ASP A 40 96.403 11.659 6.914 1.00 0.00 C ATOM 571 C ASP A 40 95.549 10.498 6.400 1.00 0.00 C ATOM 572 O ASP A 40 96.015 9.653 5.663 1.00 0.00 O ATOM 573 CB ASP A 40 96.721 11.480 8.400 1.00 0.00 C ATOM 574 CG ASP A 40 98.237 11.488 8.602 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.894 10.616 8.054 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.718 12.365 9.300 1.00 0.00 O ATOM 0 H ASP A 40 95.552 13.449 7.710 1.00 0.00 H new ATOM 0 HA ASP A 40 97.307 11.678 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.262 12.281 8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.300 10.542 8.762 1.00 0.00 H new ATOM 581 N LEU A 41 94.300 10.443 6.774 1.00 0.00 N ATOM 582 CA LEU A 41 93.438 9.330 6.286 1.00 0.00 C ATOM 583 C LEU A 41 93.487 9.277 4.761 1.00 0.00 C ATOM 584 O LEU A 41 93.552 8.219 4.167 1.00 0.00 O ATOM 585 CB LEU A 41 92.024 9.663 6.762 1.00 0.00 C ATOM 586 CG LEU A 41 91.123 8.447 6.536 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.439 7.381 7.581 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.659 8.858 6.668 1.00 0.00 C ATOM 0 H LEU A 41 93.842 11.114 7.391 1.00 0.00 H new ATOM 0 HA LEU A 41 93.766 8.360 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.036 9.932 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.637 10.525 6.218 1.00 0.00 H new ATOM 0 HG LEU A 41 91.301 8.050 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.798 6.514 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.483 7.082 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.262 7.785 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.021 7.989 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.482 9.257 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.427 9.622 5.925 1.00 0.00 H new ATOM 600 N ASP A 42 93.463 10.413 4.121 1.00 0.00 N ATOM 601 CA ASP A 42 93.516 10.429 2.634 1.00 0.00 C ATOM 602 C ASP A 42 94.850 9.854 2.162 1.00 0.00 C ATOM 603 O ASP A 42 94.908 9.075 1.231 1.00 0.00 O ATOM 604 CB ASP A 42 93.396 11.901 2.243 1.00 0.00 C ATOM 605 CG ASP A 42 92.266 12.069 1.227 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.385 11.225 1.206 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.301 13.037 0.486 1.00 0.00 O ATOM 0 H ASP A 42 93.409 11.330 4.564 1.00 0.00 H new ATOM 0 HA ASP A 42 92.726 9.829 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 42 93.198 12.508 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.336 12.253 1.819 1.00 0.00 H new ATOM 612 N ARG A 43 95.926 10.220 2.805 1.00 0.00 N ATOM 613 CA ARG A 43 97.247 9.679 2.397 1.00 0.00 C ATOM 614 C ARG A 43 97.140 8.167 2.270 1.00 0.00 C ATOM 615 O ARG A 43 97.720 7.556 1.395 1.00 0.00 O ATOM 616 CB ARG A 43 98.199 10.056 3.530 1.00 0.00 C ATOM 617 CG ARG A 43 98.744 11.460 3.287 1.00 0.00 C ATOM 618 CD ARG A 43 100.235 11.375 2.971 1.00 0.00 C ATOM 619 NE ARG A 43 100.359 10.293 1.967 1.00 0.00 N ATOM 620 CZ ARG A 43 101.527 9.993 1.469 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.615 10.369 2.084 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.606 9.314 0.356 1.00 0.00 N ATOM 0 H ARG A 43 95.944 10.868 3.592 1.00 0.00 H new ATOM 0 HA ARG A 43 97.592 10.071 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.678 10.017 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 43 99.019 9.340 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 43 98.212 11.931 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.582 12.083 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.609 12.321 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.815 11.150 3.866 1.00 0.00 H new ATOM 0 HE ARG A 43 99.530 9.782 1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.552 10.897 2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.528 10.134 1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.755 9.019 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.519 9.079 -0.034 1.00 0.00 H new ATOM 636 N CYS A 44 96.388 7.562 3.144 1.00 0.00 N ATOM 637 CA CYS A 44 96.221 6.093 3.090 1.00 0.00 C ATOM 638 C CYS A 44 95.501 5.702 1.797 1.00 0.00 C ATOM 639 O CYS A 44 95.879 4.766 1.122 1.00 0.00 O ATOM 640 CB CYS A 44 95.361 5.748 4.306 1.00 0.00 C ATOM 641 SG CYS A 44 96.167 6.350 5.810 1.00 0.00 S ATOM 0 H CYS A 44 95.881 8.028 3.896 1.00 0.00 H new ATOM 0 HA CYS A 44 97.173 5.563 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.374 6.198 4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.215 4.670 4.366 1.00 0.00 H new ATOM 646 N CYS A 45 94.468 6.422 1.450 1.00 0.00 N ATOM 647 CA CYS A 45 93.721 6.105 0.200 1.00 0.00 C ATOM 648 C CYS A 45 94.624 6.324 -1.014 1.00 0.00 C ATOM 649 O CYS A 45 94.689 5.504 -1.908 1.00 0.00 O ATOM 650 CB CYS A 45 92.546 7.084 0.181 1.00 0.00 C ATOM 651 SG CYS A 45 91.447 6.732 1.574 1.00 0.00 S ATOM 0 H CYS A 45 94.109 7.217 1.979 1.00 0.00 H new ATOM 0 HA CYS A 45 93.384 5.069 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.912 8.109 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 45 92.000 6.996 -0.758 1.00 0.00 H new ATOM 656 N GLN A 46 95.330 7.421 -1.050 1.00 0.00 N ATOM 657 CA GLN A 46 96.237 7.686 -2.202 1.00 0.00 C ATOM 658 C GLN A 46 97.189 6.502 -2.379 1.00 0.00 C ATOM 659 O GLN A 46 97.521 6.114 -3.482 1.00 0.00 O ATOM 660 CB GLN A 46 97.009 8.949 -1.815 1.00 0.00 C ATOM 661 CG GLN A 46 97.843 9.428 -3.005 1.00 0.00 C ATOM 662 CD GLN A 46 98.290 10.867 -2.766 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.959 11.461 -1.761 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.034 11.457 -3.659 1.00 0.00 N ATOM 0 H GLN A 46 95.318 8.145 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 46 95.702 7.817 -3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.315 9.731 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.657 8.744 -0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.712 8.783 -3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.257 9.365 -3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.311 10.956 -4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.339 12.419 -3.514 1.00 0.00 H new ATOM 673 N THR A 47 97.627 5.925 -1.295 1.00 0.00 N ATOM 674 CA THR A 47 98.554 4.767 -1.382 1.00 0.00 C ATOM 675 C THR A 47 97.803 3.519 -1.850 1.00 0.00 C ATOM 676 O THR A 47 98.351 2.668 -2.523 1.00 0.00 O ATOM 677 CB THR A 47 99.077 4.566 0.041 1.00 0.00 C ATOM 678 OG1 THR A 47 99.464 5.821 0.584 1.00 0.00 O ATOM 679 CG2 THR A 47 100.280 3.621 0.015 1.00 0.00 C ATOM 0 H THR A 47 97.380 6.209 -0.347 1.00 0.00 H new ATOM 0 HA THR A 47 99.360 4.942 -2.095 1.00 0.00 H new ATOM 0 HB THR A 47 98.292 4.131 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.756 6.154 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.652 3.478 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.978 2.659 -0.400 1.00 0.00 H new ATOM 0 HG23 THR A 47 101.068 4.052 -0.603 1.00 0.00 H new ATOM 687 N HIS A 48 96.550 3.404 -1.504 1.00 0.00 N ATOM 688 CA HIS A 48 95.765 2.214 -1.933 1.00 0.00 C ATOM 689 C HIS A 48 95.728 2.165 -3.453 1.00 0.00 C ATOM 690 O HIS A 48 96.043 1.167 -4.068 1.00 0.00 O ATOM 691 CB HIS A 48 94.360 2.438 -1.374 1.00 0.00 C ATOM 692 CG HIS A 48 93.483 1.276 -1.749 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.143 1.435 -2.067 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.740 -0.067 -1.869 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.648 0.218 -2.359 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.581 -0.734 -2.255 1.00 0.00 N ATOM 0 H HIS A 48 96.037 4.083 -0.943 1.00 0.00 H new ATOM 0 HA HIS A 48 96.192 1.276 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.400 2.543 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.943 3.365 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.697 -0.535 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.622 0.033 -2.643 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.468 -1.734 -2.422 1.00 0.00 H new ATOM 704 N ASP A 49 95.356 3.253 -4.057 1.00 0.00 N ATOM 705 CA ASP A 49 95.304 3.304 -5.536 1.00 0.00 C ATOM 706 C ASP A 49 96.692 3.001 -6.095 1.00 0.00 C ATOM 707 O ASP A 49 96.854 2.201 -6.995 1.00 0.00 O ATOM 708 CB ASP A 49 94.890 4.737 -5.861 1.00 0.00 C ATOM 709 CG ASP A 49 93.374 4.876 -5.716 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.665 4.233 -6.472 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.948 5.622 -4.851 1.00 0.00 O ATOM 0 H ASP A 49 95.084 4.115 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 49 94.613 2.579 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.395 5.433 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.194 4.993 -6.876 1.00 0.00 H new ATOM 716 N ASN A 50 97.693 3.637 -5.557 1.00 0.00 N ATOM 717 CA ASN A 50 99.080 3.401 -6.034 1.00 0.00 C ATOM 718 C ASN A 50 99.454 1.926 -5.867 1.00 0.00 C ATOM 719 O ASN A 50 100.301 1.406 -6.566 1.00 0.00 O ATOM 720 CB ASN A 50 99.956 4.282 -5.142 1.00 0.00 C ATOM 721 CG ASN A 50 100.025 5.694 -5.724 1.00 0.00 C ATOM 722 OD1 ASN A 50 101.011 6.069 -6.326 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.009 6.500 -5.570 1.00 0.00 N ATOM 0 H ASN A 50 97.608 4.316 -4.801 1.00 0.00 H new ATOM 0 HA ASN A 50 99.202 3.639 -7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.548 4.314 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.958 3.859 -5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.044 7.444 -5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 50 98.181 6.186 -5.065 1.00 0.00 H new ATOM 730 N CYS A 51 98.829 1.249 -4.942 1.00 0.00 N ATOM 731 CA CYS A 51 99.148 -0.192 -4.726 1.00 0.00 C ATOM 732 C CYS A 51 98.514 -1.037 -5.833 1.00 0.00 C ATOM 733 O CYS A 51 99.136 -1.923 -6.385 1.00 0.00 O ATOM 734 CB CYS A 51 98.532 -0.532 -3.366 1.00 0.00 C ATOM 735 SG CYS A 51 99.336 -2.004 -2.685 1.00 0.00 S ATOM 0 H CYS A 51 98.111 1.631 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 51 100.219 -0.391 -4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.650 0.308 -2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.462 -0.707 -3.474 1.00 0.00 H new ATOM 740 N TYR A 52 97.281 -0.765 -6.166 1.00 0.00 N ATOM 741 CA TYR A 52 96.607 -1.545 -7.244 1.00 0.00 C ATOM 742 C TYR A 52 97.319 -1.313 -8.579 1.00 0.00 C ATOM 743 O TYR A 52 97.334 -2.167 -9.445 1.00 0.00 O ATOM 744 CB TYR A 52 95.180 -0.997 -7.293 1.00 0.00 C ATOM 745 CG TYR A 52 94.303 -1.792 -6.354 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.686 -1.970 -5.021 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.108 -2.352 -6.821 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.874 -2.708 -4.151 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.295 -3.090 -5.952 1.00 0.00 C ATOM 750 CZ TYR A 52 92.679 -3.268 -4.617 1.00 0.00 C ATOM 751 OH TYR A 52 91.878 -3.997 -3.760 1.00 0.00 O ATOM 0 H TYR A 52 96.711 -0.036 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 52 96.624 -2.618 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.173 0.056 -7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.791 -1.057 -8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.609 -1.538 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.813 -2.215 -7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.170 -2.845 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.372 -3.522 -6.311 1.00 0.00 H new ATOM 0 HH TYR A 52 92.441 -4.532 -3.162 1.00 0.00 H new ATOM 761 N LYS A 53 97.923 -0.169 -8.745 1.00 0.00 N ATOM 762 CA LYS A 53 98.648 0.114 -10.020 1.00 0.00 C ATOM 763 C LYS A 53 99.961 -0.648 -9.994 1.00 0.00 C ATOM 764 O LYS A 53 100.276 -1.416 -10.881 1.00 0.00 O ATOM 765 CB LYS A 53 98.925 1.626 -10.043 1.00 0.00 C ATOM 766 CG LYS A 53 97.782 2.399 -9.378 1.00 0.00 C ATOM 767 CD LYS A 53 97.153 3.360 -10.388 1.00 0.00 C ATOM 768 CE LYS A 53 95.847 3.913 -9.814 1.00 0.00 C ATOM 769 NZ LYS A 53 95.201 4.633 -10.946 1.00 0.00 N ATOM 0 H LYS A 53 97.947 0.582 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 53 98.074 -0.186 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 53 99.861 1.837 -9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.047 1.962 -11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.029 1.705 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.157 2.954 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.841 4.176 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 96.960 2.843 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 53 95.209 3.111 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.037 4.584 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.298 5.040 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.828 5.395 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.025 3.968 -11.726 1.00 0.00 H new ATOM 783 N GLN A 54 100.718 -0.446 -8.958 1.00 0.00 N ATOM 784 CA GLN A 54 102.013 -1.158 -8.830 1.00 0.00 C ATOM 785 C GLN A 54 101.777 -2.657 -9.011 1.00 0.00 C ATOM 786 O GLN A 54 102.606 -3.374 -9.535 1.00 0.00 O ATOM 787 CB GLN A 54 102.497 -0.855 -7.412 1.00 0.00 C ATOM 788 CG GLN A 54 103.016 0.582 -7.348 1.00 0.00 C ATOM 789 CD GLN A 54 104.386 0.660 -8.023 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.331 0.038 -7.581 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.535 1.405 -9.085 1.00 0.00 N ATOM 0 H GLN A 54 100.494 0.186 -8.189 1.00 0.00 H new ATOM 0 HA GLN A 54 102.745 -0.846 -9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.682 -0.991 -6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.286 -1.551 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 54 102.316 1.255 -7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.091 0.907 -6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 54 103.742 1.928 -9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.445 1.464 -9.543 1.00 0.00 H new ATOM 800 N ALA A 55 100.637 -3.128 -8.585 1.00 0.00 N ATOM 801 CA ALA A 55 100.320 -4.576 -8.732 1.00 0.00 C ATOM 802 C ALA A 55 100.216 -4.936 -10.216 1.00 0.00 C ATOM 803 O ALA A 55 100.651 -5.985 -10.643 1.00 0.00 O ATOM 804 CB ALA A 55 98.972 -4.760 -8.037 1.00 0.00 C ATOM 0 H ALA A 55 99.909 -2.569 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 55 101.088 -5.218 -8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.669 -5.805 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.061 -4.473 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.224 -4.134 -8.523 1.00 0.00 H new ATOM 810 N LYS A 56 99.646 -4.070 -11.007 1.00 0.00 N ATOM 811 CA LYS A 56 99.523 -4.365 -12.463 1.00 0.00 C ATOM 812 C LYS A 56 100.915 -4.449 -13.097 1.00 0.00 C ATOM 813 O LYS A 56 101.172 -5.275 -13.951 1.00 0.00 O ATOM 814 CB LYS A 56 98.735 -3.189 -13.045 1.00 0.00 C ATOM 815 CG LYS A 56 97.237 -3.500 -12.993 1.00 0.00 C ATOM 816 CD LYS A 56 96.452 -2.351 -13.631 1.00 0.00 C ATOM 817 CE LYS A 56 96.256 -1.232 -12.605 1.00 0.00 C ATOM 818 NZ LYS A 56 94.801 -1.250 -12.290 1.00 0.00 N ATOM 0 H LYS A 56 99.261 -3.173 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 56 99.026 -5.316 -12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.948 -2.281 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.043 -3.005 -14.074 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.030 -4.432 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.920 -3.641 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.987 -1.971 -14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.485 -2.709 -13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 56 96.856 -1.406 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 56 96.560 -0.267 -13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.588 -0.509 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.256 -1.075 -13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.542 -2.178 -11.900 1.00 0.00 H new ATOM 832 N LYS A 57 101.815 -3.598 -12.685 1.00 0.00 N ATOM 833 CA LYS A 57 103.185 -3.622 -13.259 1.00 0.00 C ATOM 834 C LYS A 57 103.856 -4.970 -12.984 1.00 0.00 C ATOM 835 O LYS A 57 104.617 -5.472 -13.787 1.00 0.00 O ATOM 836 CB LYS A 57 103.933 -2.498 -12.542 1.00 0.00 C ATOM 837 CG LYS A 57 104.523 -1.535 -13.574 1.00 0.00 C ATOM 838 CD LYS A 57 105.755 -2.171 -14.221 1.00 0.00 C ATOM 839 CE LYS A 57 105.951 -1.591 -15.624 1.00 0.00 C ATOM 840 NZ LYS A 57 107.058 -0.606 -15.478 1.00 0.00 N ATOM 0 H LYS A 57 101.657 -2.885 -11.973 1.00 0.00 H new ATOM 0 HA LYS A 57 103.179 -3.487 -14.341 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.255 -1.963 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.727 -2.914 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.779 -1.301 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.795 -0.594 -13.095 1.00 0.00 H new ATOM 0 HD2 LYS A 57 106.638 -1.982 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 57 105.632 -3.253 -14.277 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.207 -2.370 -16.342 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.041 -1.112 -15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.253 -0.164 -16.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 106.783 0.127 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 107.913 -1.092 -15.140 1.00 0.00 H new ATOM 854 N LEU A 58 103.583 -5.557 -11.850 1.00 0.00 N ATOM 855 CA LEU A 58 104.210 -6.866 -11.520 1.00 0.00 C ATOM 856 C LEU A 58 104.062 -7.836 -12.697 1.00 0.00 C ATOM 857 O LEU A 58 102.967 -8.186 -13.089 1.00 0.00 O ATOM 858 CB LEU A 58 103.444 -7.380 -10.300 1.00 0.00 C ATOM 859 CG LEU A 58 104.213 -7.028 -9.026 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.224 -6.648 -7.922 1.00 0.00 C ATOM 861 CD2 LEU A 58 105.037 -8.237 -8.578 1.00 0.00 C ATOM 0 H LEU A 58 102.953 -5.186 -11.139 1.00 0.00 H new ATOM 0 HA LEU A 58 105.277 -6.772 -11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.448 -6.937 -10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.311 -8.460 -10.370 1.00 0.00 H new ATOM 0 HG LEU A 58 104.878 -6.187 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.772 -6.397 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.636 -5.787 -8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.559 -7.489 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.586 -7.987 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.372 -9.078 -8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.741 -8.509 -9.364 1.00 0.00 H new ATOM 873 N ASP A 59 105.155 -8.272 -13.261 1.00 0.00 N ATOM 874 CA ASP A 59 105.071 -9.220 -14.411 1.00 0.00 C ATOM 875 C ASP A 59 104.062 -10.329 -14.104 1.00 0.00 C ATOM 876 O ASP A 59 103.113 -10.536 -14.834 1.00 0.00 O ATOM 877 CB ASP A 59 106.478 -9.799 -14.549 1.00 0.00 C ATOM 878 CG ASP A 59 107.037 -9.464 -15.934 1.00 0.00 C ATOM 879 OD1 ASP A 59 107.457 -8.335 -16.124 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.035 -10.343 -16.780 1.00 0.00 O ATOM 0 H ASP A 59 106.100 -8.015 -12.977 1.00 0.00 H new ATOM 0 HA ASP A 59 104.740 -8.732 -15.328 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.128 -9.391 -13.775 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.453 -10.879 -14.407 1.00 0.00 H new ATOM 885 N SER A 60 104.263 -11.045 -13.033 1.00 0.00 N ATOM 886 CA SER A 60 103.321 -12.141 -12.678 1.00 0.00 C ATOM 887 C SER A 60 101.873 -11.650 -12.768 1.00 0.00 C ATOM 888 O SER A 60 101.037 -12.263 -13.399 1.00 0.00 O ATOM 889 CB SER A 60 103.671 -12.510 -11.237 1.00 0.00 C ATOM 890 OG SER A 60 105.016 -12.967 -11.183 1.00 0.00 O ATOM 0 H SER A 60 105.042 -10.917 -12.387 1.00 0.00 H new ATOM 0 HA SER A 60 103.408 -12.993 -13.352 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.542 -11.645 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.996 -13.285 -10.874 1.00 0.00 H new ATOM 0 HG SER A 60 105.244 -13.203 -10.260 1.00 0.00 H new ATOM 896 N CYS A 61 101.573 -10.547 -12.139 1.00 0.00 N ATOM 897 CA CYS A 61 100.179 -10.017 -12.185 1.00 0.00 C ATOM 898 C CYS A 61 99.796 -9.649 -13.620 1.00 0.00 C ATOM 899 O CYS A 61 98.684 -9.876 -14.054 1.00 0.00 O ATOM 900 CB CYS A 61 100.205 -8.768 -11.303 1.00 0.00 C ATOM 901 SG CYS A 61 100.516 -9.248 -9.586 1.00 0.00 S ATOM 0 H CYS A 61 102.232 -9.989 -11.595 1.00 0.00 H new ATOM 0 HA CYS A 61 99.448 -10.749 -11.841 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.980 -8.083 -11.647 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.256 -8.238 -11.377 1.00 0.00 H new ATOM 906 N LYS A 62 100.708 -9.078 -14.357 1.00 0.00 N ATOM 907 CA LYS A 62 100.394 -8.691 -15.762 1.00 0.00 C ATOM 908 C LYS A 62 100.243 -9.938 -16.639 1.00 0.00 C ATOM 909 O LYS A 62 99.916 -9.850 -17.806 1.00 0.00 O ATOM 910 CB LYS A 62 101.589 -7.853 -16.217 1.00 0.00 C ATOM 911 CG LYS A 62 101.124 -6.802 -17.227 1.00 0.00 C ATOM 912 CD LYS A 62 101.975 -5.541 -17.081 1.00 0.00 C ATOM 913 CE LYS A 62 102.907 -5.414 -18.288 1.00 0.00 C ATOM 914 NZ LYS A 62 103.887 -4.359 -17.910 1.00 0.00 N ATOM 0 H LYS A 62 101.656 -8.863 -14.048 1.00 0.00 H new ATOM 0 HA LYS A 62 99.457 -8.140 -15.838 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.053 -7.367 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.346 -8.495 -16.667 1.00 0.00 H new ATOM 0 HG2 LYS A 62 101.208 -7.194 -18.240 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.073 -6.565 -17.063 1.00 0.00 H new ATOM 0 HD2 LYS A 62 101.334 -4.663 -17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.558 -5.587 -16.161 1.00 0.00 H new ATOM 0 HE2 LYS A 62 103.407 -6.359 -18.501 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.355 -5.136 -19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 104.560 -4.215 -18.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 103.383 -3.469 -17.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 104.403 -4.654 -17.057 1.00 0.00 H new ATOM 928 N VAL A 63 100.478 -11.097 -16.088 1.00 0.00 N ATOM 929 CA VAL A 63 100.347 -12.342 -16.897 1.00 0.00 C ATOM 930 C VAL A 63 99.466 -13.364 -16.170 1.00 0.00 C ATOM 931 O VAL A 63 99.194 -14.433 -16.680 1.00 0.00 O ATOM 932 CB VAL A 63 101.773 -12.874 -17.040 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.280 -13.344 -15.677 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.779 -14.051 -18.017 1.00 0.00 C ATOM 0 H VAL A 63 100.754 -11.236 -15.116 1.00 0.00 H new ATOM 0 HA VAL A 63 99.880 -12.154 -17.864 1.00 0.00 H new ATOM 0 HB VAL A 63 102.421 -12.083 -17.416 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.297 -13.724 -15.778 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.273 -12.508 -14.978 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.633 -14.136 -15.301 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.795 -14.432 -18.121 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.131 -14.842 -17.638 1.00 0.00 H new ATOM 0 HG23 VAL A 63 101.415 -13.719 -18.989 1.00 0.00 H new ATOM 1019 N TYR A 69 90.758 -6.328 -10.470 1.00 0.00 N ATOM 1020 CA TYR A 69 89.520 -5.590 -10.088 1.00 0.00 C ATOM 1021 C TYR A 69 88.454 -6.583 -9.621 1.00 0.00 C ATOM 1022 O TYR A 69 87.968 -6.513 -8.509 1.00 0.00 O ATOM 1023 CB TYR A 69 89.073 -4.869 -11.362 1.00 0.00 C ATOM 1024 CG TYR A 69 89.206 -3.362 -11.167 1.00 0.00 C ATOM 1025 CD1 TYR A 69 90.370 -2.830 -10.600 1.00 0.00 C ATOM 1026 CD2 TYR A 69 88.164 -2.511 -11.555 1.00 0.00 C ATOM 1027 CE1 TYR A 69 90.493 -1.446 -10.421 1.00 0.00 C ATOM 1028 CE2 TYR A 69 88.287 -1.128 -11.377 1.00 0.00 C ATOM 1029 CZ TYR A 69 89.451 -0.595 -10.810 1.00 0.00 C ATOM 1030 OH TYR A 69 89.572 0.768 -10.633 1.00 0.00 O ATOM 0 HA TYR A 69 89.685 -4.888 -9.271 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.680 -5.192 -12.208 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.040 -5.127 -11.595 1.00 0.00 H new ATOM 0 HD1 TYR A 69 91.173 -3.487 -10.300 1.00 0.00 H new ATOM 0 HD2 TYR A 69 87.266 -2.922 -11.992 1.00 0.00 H new ATOM 0 HE1 TYR A 69 91.391 -1.036 -9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 69 87.484 -0.472 -11.677 1.00 0.00 H new ATOM 0 HH TYR A 69 88.761 1.213 -10.957 1.00 0.00 H new ATOM 1040 N THR A 70 88.087 -7.510 -10.463 1.00 0.00 N ATOM 1041 CA THR A 70 87.061 -8.508 -10.075 1.00 0.00 C ATOM 1042 C THR A 70 87.701 -9.645 -9.270 1.00 0.00 C ATOM 1043 O THR A 70 87.027 -10.526 -8.777 1.00 0.00 O ATOM 1044 CB THR A 70 86.503 -9.035 -11.398 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.579 -9.362 -12.266 1.00 0.00 O ATOM 1046 CG2 THR A 70 85.629 -7.962 -12.048 1.00 0.00 C ATOM 0 H THR A 70 88.458 -7.616 -11.407 1.00 0.00 H new ATOM 0 HA THR A 70 86.283 -8.076 -9.446 1.00 0.00 H new ATOM 0 HB THR A 70 85.902 -9.925 -11.211 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.224 -9.702 -13.114 1.00 0.00 H new ATOM 0 HG21 THR A 70 85.232 -8.338 -12.991 1.00 0.00 H new ATOM 0 HG22 THR A 70 84.804 -7.711 -11.381 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.227 -7.070 -12.236 1.00 0.00 H new ATOM 1054 N ASN A 71 89.001 -9.631 -9.137 1.00 0.00 N ATOM 1055 CA ASN A 71 89.685 -10.712 -8.369 1.00 0.00 C ATOM 1056 C ASN A 71 89.053 -10.864 -6.983 1.00 0.00 C ATOM 1057 O ASN A 71 88.735 -9.894 -6.325 1.00 0.00 O ATOM 1058 CB ASN A 71 91.139 -10.253 -8.247 1.00 0.00 C ATOM 1059 CG ASN A 71 91.945 -11.309 -7.488 1.00 0.00 C ATOM 1060 OD1 ASN A 71 91.981 -11.271 -6.184 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 92.547 -12.177 -8.087 1.00 0.00 N flip ATOM 0 H ASN A 71 89.618 -8.918 -9.527 1.00 0.00 H new ATOM 0 HA ASN A 71 89.602 -11.681 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 71 91.566 -10.096 -9.237 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.187 -9.298 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 71 92.519 -12.207 -9.106 1.00 0.00 H new ATOM 0 HD22 ASN A 71 93.081 -12.876 -7.571 1.00 0.00 H new ATOM 1068 N ASN A 72 88.870 -12.076 -6.536 1.00 0.00 N ATOM 1069 CA ASN A 72 88.260 -12.292 -5.192 1.00 0.00 C ATOM 1070 C ASN A 72 89.215 -13.087 -4.300 1.00 0.00 C ATOM 1071 O ASN A 72 88.976 -14.235 -3.982 1.00 0.00 O ATOM 1072 CB ASN A 72 86.986 -13.092 -5.462 1.00 0.00 C ATOM 1073 CG ASN A 72 85.765 -12.202 -5.230 1.00 0.00 C ATOM 1074 OD1 ASN A 72 84.966 -12.463 -4.352 1.00 0.00 O ATOM 1075 ND2 ASN A 72 85.584 -11.153 -5.986 1.00 0.00 N ATOM 0 H ASN A 72 89.116 -12.926 -7.043 1.00 0.00 H new ATOM 0 HA ASN A 72 88.052 -11.355 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 72 86.988 -13.464 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 72 86.945 -13.962 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 72 84.772 -10.553 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 72 86.254 -10.934 -6.723 1.00 0.00 H new ATOM 1082 N TYR A 73 90.298 -12.484 -3.894 1.00 0.00 N ATOM 1083 CA TYR A 73 91.273 -13.202 -3.022 1.00 0.00 C ATOM 1084 C TYR A 73 90.628 -13.549 -1.676 1.00 0.00 C ATOM 1085 O TYR A 73 89.568 -13.058 -1.340 1.00 0.00 O ATOM 1086 CB TYR A 73 92.426 -12.219 -2.827 1.00 0.00 C ATOM 1087 CG TYR A 73 91.923 -10.983 -2.118 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.603 -11.041 -0.756 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.779 -9.781 -2.821 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.139 -9.895 -0.098 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.315 -8.636 -2.162 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.994 -8.693 -0.801 1.00 0.00 C ATOM 1093 OH TYR A 73 90.539 -7.564 -0.152 1.00 0.00 O ATOM 0 H TYR A 73 90.551 -11.524 -4.128 1.00 0.00 H new ATOM 0 HA TYR A 73 91.607 -14.141 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.221 -12.686 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 73 92.854 -11.948 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.714 -11.968 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.026 -9.737 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.893 -9.939 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.205 -7.708 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 73 90.498 -6.817 -0.785 1.00 0.00 H new ATOM 1103 N SER A 74 91.262 -14.389 -0.905 1.00 0.00 N ATOM 1104 CA SER A 74 90.690 -14.766 0.421 1.00 0.00 C ATOM 1105 C SER A 74 91.552 -14.189 1.547 1.00 0.00 C ATOM 1106 O SER A 74 92.680 -13.791 1.335 1.00 0.00 O ATOM 1107 CB SER A 74 90.725 -16.293 0.446 1.00 0.00 C ATOM 1108 OG SER A 74 90.879 -16.738 1.787 1.00 0.00 O ATOM 0 H SER A 74 92.152 -14.831 -1.135 1.00 0.00 H new ATOM 0 HA SER A 74 89.680 -14.380 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 74 89.806 -16.696 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.548 -16.659 -0.168 1.00 0.00 H new ATOM 0 HG SER A 74 90.900 -17.718 1.806 1.00 0.00 H new ATOM 1114 N TYR A 75 91.032 -14.138 2.744 1.00 0.00 N ATOM 1115 CA TYR A 75 91.832 -13.582 3.874 1.00 0.00 C ATOM 1116 C TYR A 75 91.128 -13.833 5.211 1.00 0.00 C ATOM 1117 O TYR A 75 90.099 -14.476 5.273 1.00 0.00 O ATOM 1118 CB TYR A 75 91.926 -12.082 3.590 1.00 0.00 C ATOM 1119 CG TYR A 75 90.591 -11.418 3.905 1.00 0.00 C ATOM 1120 CD1 TYR A 75 90.284 -11.057 5.223 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.671 -11.172 2.880 1.00 0.00 C ATOM 1122 CE1 TYR A 75 89.057 -10.450 5.515 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.444 -10.565 3.172 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.137 -10.204 4.490 1.00 0.00 C ATOM 1125 OH TYR A 75 86.928 -9.605 4.777 1.00 0.00 O ATOM 0 H TYR A 75 90.094 -14.455 2.988 1.00 0.00 H new ATOM 0 HA TYR A 75 92.814 -14.049 3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.717 -11.636 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.189 -11.915 2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.994 -11.247 6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 75 89.908 -11.450 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.820 -10.172 6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.734 -10.375 2.381 1.00 0.00 H new ATOM 0 HH TYR A 75 86.408 -9.506 3.952 1.00 0.00 H new ATOM 1135 N SER A 76 91.676 -13.321 6.282 1.00 0.00 N ATOM 1136 CA SER A 76 91.043 -13.520 7.617 1.00 0.00 C ATOM 1137 C SER A 76 91.214 -12.259 8.470 1.00 0.00 C ATOM 1138 O SER A 76 91.702 -11.249 8.005 1.00 0.00 O ATOM 1139 CB SER A 76 91.790 -14.697 8.240 1.00 0.00 C ATOM 1140 OG SER A 76 90.978 -15.862 8.163 1.00 0.00 O ATOM 0 H SER A 76 92.536 -12.773 6.288 1.00 0.00 H new ATOM 0 HA SER A 76 89.973 -13.714 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 76 92.733 -14.862 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 76 92.035 -14.478 9.279 1.00 0.00 H new ATOM 0 HG SER A 76 91.455 -16.620 8.561 1.00 0.00 H new ATOM 1146 N CYS A 77 90.816 -12.305 9.712 1.00 0.00 N ATOM 1147 CA CYS A 77 90.965 -11.103 10.580 1.00 0.00 C ATOM 1148 C CYS A 77 90.846 -11.487 12.052 1.00 0.00 C ATOM 1149 O CYS A 77 90.406 -12.564 12.397 1.00 0.00 O ATOM 1150 CB CYS A 77 89.820 -10.176 10.181 1.00 0.00 C ATOM 1151 SG CYS A 77 89.764 -8.738 11.279 1.00 0.00 S ATOM 0 H CYS A 77 90.396 -13.119 10.161 1.00 0.00 H new ATOM 0 HA CYS A 77 91.939 -10.630 10.453 1.00 0.00 H new ATOM 0 HB2 CYS A 77 89.950 -9.849 9.149 1.00 0.00 H new ATOM 0 HB3 CYS A 77 88.874 -10.715 10.228 1.00 0.00 H new ATOM 1156 N SER A 78 91.238 -10.597 12.917 1.00 0.00 N ATOM 1157 CA SER A 78 91.161 -10.874 14.386 1.00 0.00 C ATOM 1158 C SER A 78 91.999 -9.857 15.168 1.00 0.00 C ATOM 1159 O SER A 78 92.907 -9.246 14.639 1.00 0.00 O ATOM 1160 CB SER A 78 91.737 -12.279 14.567 1.00 0.00 C ATOM 1161 OG SER A 78 92.429 -12.344 15.807 1.00 0.00 O ATOM 0 H SER A 78 91.612 -9.680 12.672 1.00 0.00 H new ATOM 0 HA SER A 78 90.138 -10.801 14.756 1.00 0.00 H new ATOM 0 HB2 SER A 78 90.937 -13.019 14.544 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.414 -12.516 13.746 1.00 0.00 H new ATOM 0 HG SER A 78 91.852 -12.004 16.522 1.00 0.00 H new ATOM 1167 N ASN A 79 91.706 -9.680 16.428 1.00 0.00 N ATOM 1168 CA ASN A 79 92.486 -8.712 17.254 1.00 0.00 C ATOM 1169 C ASN A 79 92.725 -7.410 16.482 1.00 0.00 C ATOM 1170 O ASN A 79 93.847 -6.977 16.309 1.00 0.00 O ATOM 1171 CB ASN A 79 93.813 -9.418 17.537 1.00 0.00 C ATOM 1172 CG ASN A 79 93.538 -10.818 18.092 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.404 -11.250 18.151 1.00 0.00 O ATOM 1174 ND2 ASN A 79 94.537 -11.551 18.501 1.00 0.00 N ATOM 0 H ASN A 79 90.958 -10.165 16.923 1.00 0.00 H new ATOM 0 HA ASN A 79 91.960 -8.439 18.169 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.403 -9.487 16.623 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.399 -8.840 18.252 1.00 0.00 H new ATOM 0 HD21 ASN A 79 94.366 -12.486 18.870 1.00 0.00 H new ATOM 0 HD22 ASN A 79 95.489 -11.189 18.452 1.00 0.00 H new ATOM 1181 N ASN A 80 91.679 -6.781 16.024 1.00 0.00 N ATOM 1182 CA ASN A 80 91.837 -5.513 15.276 1.00 0.00 C ATOM 1183 C ASN A 80 92.957 -5.654 14.256 1.00 0.00 C ATOM 1184 O ASN A 80 93.735 -4.750 14.026 1.00 0.00 O ATOM 1185 CB ASN A 80 92.174 -4.468 16.331 1.00 0.00 C ATOM 1186 CG ASN A 80 91.291 -4.652 17.539 1.00 0.00 C ATOM 1187 OD1 ASN A 80 90.096 -5.085 17.368 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.699 -4.399 18.655 1.00 0.00 N flip ATOM 0 H ASN A 80 90.716 -7.097 16.139 1.00 0.00 H new ATOM 0 HA ASN A 80 90.941 -5.236 14.720 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.222 -4.555 16.619 1.00 0.00 H new ATOM 0 HB3 ASN A 80 92.038 -3.468 15.920 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.650 -4.055 18.784 1.00 0.00 H new ATOM 0 HD22 ASN A 80 91.090 -4.531 19.463 1.00 0.00 H new ATOM 1195 N GLU A 81 93.023 -6.791 13.640 1.00 0.00 N ATOM 1196 CA GLU A 81 94.064 -7.036 12.615 1.00 0.00 C ATOM 1197 C GLU A 81 93.498 -7.897 11.490 1.00 0.00 C ATOM 1198 O GLU A 81 92.464 -8.516 11.628 1.00 0.00 O ATOM 1199 CB GLU A 81 95.189 -7.770 13.340 1.00 0.00 C ATOM 1200 CG GLU A 81 95.903 -6.798 14.275 1.00 0.00 C ATOM 1201 CD GLU A 81 97.413 -6.877 14.045 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.901 -6.155 13.192 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.056 -7.659 14.727 1.00 0.00 O ATOM 0 H GLU A 81 92.391 -7.574 13.805 1.00 0.00 H new ATOM 0 HA GLU A 81 94.419 -6.110 12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.785 -8.609 13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.894 -8.183 12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.551 -5.782 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.670 -7.039 15.312 1.00 0.00 H new ATOM 1210 N ILE A 82 94.167 -7.939 10.376 1.00 0.00 N ATOM 1211 CA ILE A 82 93.660 -8.758 9.239 1.00 0.00 C ATOM 1212 C ILE A 82 94.631 -9.899 8.925 1.00 0.00 C ATOM 1213 O ILE A 82 95.804 -9.838 9.235 1.00 0.00 O ATOM 1214 CB ILE A 82 93.570 -7.789 8.061 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.454 -6.773 8.323 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.258 -8.568 6.783 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.346 -5.817 7.134 1.00 0.00 C ATOM 0 H ILE A 82 95.041 -7.444 10.201 1.00 0.00 H new ATOM 0 HA ILE A 82 92.698 -9.219 9.463 1.00 0.00 H new ATOM 0 HB ILE A 82 94.520 -7.267 7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.506 -7.289 8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.663 -6.214 9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.194 -7.877 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.050 -9.294 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.308 -9.089 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.552 -5.094 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.292 -5.292 7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.117 -6.383 6.231 1.00 0.00 H new ATOM 1229 N THR A 83 94.143 -10.942 8.313 1.00 0.00 N ATOM 1230 CA THR A 83 95.021 -12.097 7.973 1.00 0.00 C ATOM 1231 C THR A 83 94.815 -12.491 6.506 1.00 0.00 C ATOM 1232 O THR A 83 93.799 -12.191 5.912 1.00 0.00 O ATOM 1233 CB THR A 83 94.564 -13.217 8.915 1.00 0.00 C ATOM 1234 OG1 THR A 83 95.194 -13.056 10.178 1.00 0.00 O ATOM 1235 CG2 THR A 83 94.935 -14.582 8.331 1.00 0.00 C ATOM 0 H THR A 83 93.168 -11.045 8.032 1.00 0.00 H new ATOM 0 HA THR A 83 96.082 -11.876 8.092 1.00 0.00 H new ATOM 0 HB THR A 83 93.482 -13.164 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.902 -13.770 10.783 1.00 0.00 H new ATOM 0 HG21 THR A 83 94.605 -15.369 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.448 -14.708 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 83 96.016 -14.642 8.204 1.00 0.00 H new ATOM 1243 N CYS A 84 95.769 -13.156 5.916 1.00 0.00 N ATOM 1244 CA CYS A 84 95.618 -13.561 4.489 1.00 0.00 C ATOM 1245 C CYS A 84 96.253 -14.935 4.251 1.00 0.00 C ATOM 1246 O CYS A 84 97.356 -15.202 4.683 1.00 0.00 O ATOM 1247 CB CYS A 84 96.350 -12.484 3.689 1.00 0.00 C ATOM 1248 SG CYS A 84 95.176 -11.646 2.595 1.00 0.00 S ATOM 0 H CYS A 84 96.645 -13.436 6.358 1.00 0.00 H new ATOM 0 HA CYS A 84 94.571 -13.645 4.196 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.812 -11.764 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.153 -12.933 3.104 1.00 0.00 H new ATOM 1253 N SER A 85 95.564 -15.806 3.565 1.00 0.00 N ATOM 1254 CA SER A 85 96.128 -17.160 3.298 1.00 0.00 C ATOM 1255 C SER A 85 97.541 -17.035 2.723 1.00 0.00 C ATOM 1256 O SER A 85 97.868 -16.073 2.057 1.00 0.00 O ATOM 1257 CB SER A 85 95.186 -17.792 2.273 1.00 0.00 C ATOM 1258 OG SER A 85 94.003 -18.228 2.929 1.00 0.00 O ATOM 0 H SER A 85 94.635 -15.639 3.178 1.00 0.00 H new ATOM 0 HA SER A 85 96.202 -17.762 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.939 -17.070 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 85 95.675 -18.634 1.783 1.00 0.00 H new ATOM 0 HG SER A 85 93.396 -18.632 2.274 1.00 0.00 H new ATOM 1264 N SER A 86 98.382 -17.998 2.976 1.00 0.00 N ATOM 1265 CA SER A 86 99.772 -17.928 2.442 1.00 0.00 C ATOM 1266 C SER A 86 99.812 -18.458 1.008 1.00 0.00 C ATOM 1267 O SER A 86 100.727 -18.181 0.258 1.00 0.00 O ATOM 1268 CB SER A 86 100.599 -18.816 3.368 1.00 0.00 C ATOM 1269 OG SER A 86 100.417 -20.177 2.999 1.00 0.00 O ATOM 0 H SER A 86 98.169 -18.829 3.528 1.00 0.00 H new ATOM 0 HA SER A 86 100.153 -16.907 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.653 -18.547 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.295 -18.664 4.404 1.00 0.00 H new ATOM 0 HG SER A 86 100.948 -20.750 3.591 1.00 0.00 H new ATOM 1275 N GLU A 87 98.824 -19.214 0.618 1.00 0.00 N ATOM 1276 CA GLU A 87 98.807 -19.755 -0.769 1.00 0.00 C ATOM 1277 C GLU A 87 98.824 -18.605 -1.779 1.00 0.00 C ATOM 1278 O GLU A 87 99.244 -18.762 -2.908 1.00 0.00 O ATOM 1279 CB GLU A 87 97.499 -20.538 -0.872 1.00 0.00 C ATOM 1280 CG GLU A 87 97.719 -21.969 -0.372 1.00 0.00 C ATOM 1281 CD GLU A 87 96.368 -22.667 -0.208 1.00 0.00 C ATOM 1282 OE1 GLU A 87 95.357 -22.009 -0.391 1.00 0.00 O ATOM 1283 OE2 GLU A 87 96.368 -23.847 0.100 1.00 0.00 O ATOM 0 H GLU A 87 98.029 -19.480 1.199 1.00 0.00 H new ATOM 0 HA GLU A 87 99.674 -20.381 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.723 -20.050 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 87 97.152 -20.552 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 87 98.341 -22.520 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 87 98.251 -21.955 0.579 1.00 0.00 H new ATOM 1290 N ASN A 88 98.370 -17.449 -1.378 1.00 0.00 N ATOM 1291 CA ASN A 88 98.357 -16.289 -2.310 1.00 0.00 C ATOM 1292 C ASN A 88 99.705 -16.172 -3.026 1.00 0.00 C ATOM 1293 O ASN A 88 100.725 -15.946 -2.408 1.00 0.00 O ATOM 1294 CB ASN A 88 98.117 -15.068 -1.423 1.00 0.00 C ATOM 1295 CG ASN A 88 96.824 -15.255 -0.630 1.00 0.00 C ATOM 1296 OD1 ASN A 88 96.264 -16.333 -0.602 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.320 -14.242 0.021 1.00 0.00 N ATOM 0 H ASN A 88 98.007 -17.259 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 88 97.593 -16.389 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.957 -14.931 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.053 -14.168 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.457 -14.356 0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.789 -13.337 -0.002 1.00 0.00 H new ATOM 1304 N ASN A 89 99.721 -16.322 -4.322 1.00 0.00 N ATOM 1305 CA ASN A 89 101.011 -16.215 -5.060 1.00 0.00 C ATOM 1306 C ASN A 89 101.556 -14.788 -4.964 1.00 0.00 C ATOM 1307 O ASN A 89 101.009 -13.947 -4.279 1.00 0.00 O ATOM 1308 CB ASN A 89 100.679 -16.568 -6.510 1.00 0.00 C ATOM 1309 CG ASN A 89 99.559 -15.661 -7.019 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.795 -15.124 -6.242 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.425 -15.466 -8.303 1.00 0.00 N ATOM 0 H ASN A 89 98.902 -16.513 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 89 101.774 -16.876 -4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.565 -16.453 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.374 -17.612 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.680 -14.864 -8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 89 100.066 -15.916 -8.957 1.00 0.00 H new ATOM 1318 N ALA A 90 102.636 -14.515 -5.640 1.00 0.00 N ATOM 1319 CA ALA A 90 103.227 -13.150 -5.588 1.00 0.00 C ATOM 1320 C ALA A 90 102.150 -12.086 -5.822 1.00 0.00 C ATOM 1321 O ALA A 90 102.225 -10.990 -5.302 1.00 0.00 O ATOM 1322 CB ALA A 90 104.260 -13.126 -6.716 1.00 0.00 C ATOM 0 H ALA A 90 103.137 -15.181 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 90 103.673 -12.933 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.743 -12.150 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 90 105.010 -13.897 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.764 -13.314 -7.668 1.00 0.00 H new ATOM 1328 N CYS A 91 101.153 -12.394 -6.606 1.00 0.00 N ATOM 1329 CA CYS A 91 100.082 -11.390 -6.874 1.00 0.00 C ATOM 1330 C CYS A 91 98.988 -11.463 -5.805 1.00 0.00 C ATOM 1331 O CYS A 91 98.598 -10.462 -5.238 1.00 0.00 O ATOM 1332 CB CYS A 91 99.520 -11.769 -8.244 1.00 0.00 C ATOM 1333 SG CYS A 91 98.868 -10.290 -9.057 1.00 0.00 S ATOM 0 H CYS A 91 101.033 -13.294 -7.071 1.00 0.00 H new ATOM 0 HA CYS A 91 100.466 -10.370 -6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.300 -12.220 -8.857 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.732 -12.513 -8.133 1.00 0.00 H new ATOM 1338 N GLU A 92 98.487 -12.636 -5.525 1.00 0.00 N ATOM 1339 CA GLU A 92 97.419 -12.756 -4.492 1.00 0.00 C ATOM 1340 C GLU A 92 97.886 -12.116 -3.186 1.00 0.00 C ATOM 1341 O GLU A 92 97.101 -11.588 -2.423 1.00 0.00 O ATOM 1342 CB GLU A 92 97.202 -14.257 -4.307 1.00 0.00 C ATOM 1343 CG GLU A 92 96.363 -14.798 -5.465 1.00 0.00 C ATOM 1344 CD GLU A 92 94.935 -15.058 -4.985 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.513 -14.388 -4.056 1.00 0.00 O ATOM 1346 OE2 GLU A 92 94.288 -15.922 -5.553 1.00 0.00 O ATOM 0 H GLU A 92 98.769 -13.512 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 92 96.499 -12.251 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 92 98.162 -14.772 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.699 -14.448 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.356 -14.083 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.803 -15.719 -5.847 1.00 0.00 H new ATOM 1353 N ALA A 93 99.163 -12.157 -2.926 1.00 0.00 N ATOM 1354 CA ALA A 93 99.687 -11.548 -1.671 1.00 0.00 C ATOM 1355 C ALA A 93 99.861 -10.039 -1.858 1.00 0.00 C ATOM 1356 O ALA A 93 99.664 -9.262 -0.946 1.00 0.00 O ATOM 1357 CB ALA A 93 101.038 -12.223 -1.434 1.00 0.00 C ATOM 0 H ALA A 93 99.866 -12.586 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 93 99.013 -11.690 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.488 -11.826 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.894 -13.298 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.696 -12.027 -2.280 1.00 0.00 H new ATOM 1363 N PHE A 94 100.225 -9.617 -3.039 1.00 0.00 N ATOM 1364 CA PHE A 94 100.407 -8.159 -3.285 1.00 0.00 C ATOM 1365 C PHE A 94 99.052 -7.448 -3.241 1.00 0.00 C ATOM 1366 O PHE A 94 98.939 -6.337 -2.762 1.00 0.00 O ATOM 1367 CB PHE A 94 101.017 -8.066 -4.684 1.00 0.00 C ATOM 1368 CG PHE A 94 101.526 -6.664 -4.922 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.634 -5.650 -5.294 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.888 -6.379 -4.773 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.106 -4.350 -5.515 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.360 -5.079 -4.995 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.469 -4.065 -5.367 1.00 0.00 C ATOM 0 H PHE A 94 100.404 -10.219 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 94 101.041 -7.687 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.833 -8.782 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.271 -8.325 -5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.583 -5.870 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.575 -7.161 -4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.419 -3.567 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.411 -4.859 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.833 -3.063 -5.540 1.00 0.00 H new ATOM 1383 N ILE A 95 98.024 -8.081 -3.735 1.00 0.00 N ATOM 1384 CA ILE A 95 96.677 -7.441 -3.717 1.00 0.00 C ATOM 1385 C ILE A 95 96.139 -7.393 -2.285 1.00 0.00 C ATOM 1386 O ILE A 95 95.536 -6.423 -1.870 1.00 0.00 O ATOM 1387 CB ILE A 95 95.798 -8.336 -4.592 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.398 -8.419 -5.998 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.389 -7.745 -4.673 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.475 -7.016 -6.604 1.00 0.00 C ATOM 0 H ILE A 95 98.057 -9.012 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 95 96.701 -6.415 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 95 95.748 -9.334 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.393 -8.863 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.787 -9.066 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.762 -8.383 -5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.962 -7.684 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.438 -6.747 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.902 -7.075 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.474 -6.589 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 95 97.104 -6.383 -5.978 1.00 0.00 H new ATOM 1402 N CYS A 96 96.355 -8.434 -1.525 1.00 0.00 N ATOM 1403 CA CYS A 96 95.860 -8.448 -0.118 1.00 0.00 C ATOM 1404 C CYS A 96 96.556 -7.353 0.693 1.00 0.00 C ATOM 1405 O CYS A 96 95.976 -6.759 1.581 1.00 0.00 O ATOM 1406 CB CYS A 96 96.234 -9.831 0.418 1.00 0.00 C ATOM 1407 SG CYS A 96 96.037 -9.858 2.218 1.00 0.00 S ATOM 0 H CYS A 96 96.853 -9.275 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 96 94.788 -8.262 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.602 -10.592 -0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.264 -10.070 0.151 1.00 0.00 H new ATOM 1412 N ASN A 97 97.796 -7.082 0.392 1.00 0.00 N ATOM 1413 CA ASN A 97 98.533 -6.026 1.142 1.00 0.00 C ATOM 1414 C ASN A 97 97.946 -4.649 0.823 1.00 0.00 C ATOM 1415 O ASN A 97 97.856 -3.788 1.674 1.00 0.00 O ATOM 1416 CB ASN A 97 99.972 -6.126 0.642 1.00 0.00 C ATOM 1417 CG ASN A 97 100.574 -7.457 1.082 1.00 0.00 C ATOM 1418 OD1 ASN A 97 99.941 -8.225 1.777 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.780 -7.762 0.701 1.00 0.00 N ATOM 0 H ASN A 97 98.331 -7.547 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 97 98.466 -6.157 2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 97 99.997 -6.045 -0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.563 -5.300 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.196 -8.649 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.309 -7.115 0.117 1.00 0.00 H new ATOM 1426 N CYS A 98 97.545 -4.439 -0.400 1.00 0.00 N ATOM 1427 CA CYS A 98 96.962 -3.122 -0.782 1.00 0.00 C ATOM 1428 C CYS A 98 95.698 -2.846 0.036 1.00 0.00 C ATOM 1429 O CYS A 98 95.438 -1.731 0.442 1.00 0.00 O ATOM 1430 CB CYS A 98 96.613 -3.259 -2.265 1.00 0.00 C ATOM 1431 SG CYS A 98 98.124 -3.529 -3.226 1.00 0.00 S ATOM 0 H CYS A 98 97.596 -5.125 -1.154 1.00 0.00 H new ATOM 0 HA CYS A 98 97.651 -2.298 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.924 -4.091 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.105 -2.360 -2.613 1.00 0.00 H new ATOM 1436 N ASP A 99 94.907 -3.856 0.273 1.00 0.00 N ATOM 1437 CA ASP A 99 93.654 -3.658 1.057 1.00 0.00 C ATOM 1438 C ASP A 99 93.960 -3.617 2.557 1.00 0.00 C ATOM 1439 O ASP A 99 93.409 -2.821 3.290 1.00 0.00 O ATOM 1440 CB ASP A 99 92.785 -4.870 0.722 1.00 0.00 C ATOM 1441 CG ASP A 99 92.195 -4.706 -0.680 1.00 0.00 C ATOM 1442 OD1 ASP A 99 91.428 -3.777 -0.874 1.00 0.00 O ATOM 1443 OD2 ASP A 99 92.521 -5.512 -1.537 1.00 0.00 O ATOM 0 H ASP A 99 95.074 -4.811 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 99 93.161 -2.718 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.380 -5.782 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.985 -4.970 1.455 1.00 0.00 H new ATOM 1448 N ARG A 100 94.831 -4.470 3.021 1.00 0.00 N ATOM 1449 CA ARG A 100 95.161 -4.474 4.476 1.00 0.00 C ATOM 1450 C ARG A 100 95.884 -3.183 4.860 1.00 0.00 C ATOM 1451 O ARG A 100 95.537 -2.528 5.823 1.00 0.00 O ATOM 1452 CB ARG A 100 96.077 -5.682 4.673 1.00 0.00 C ATOM 1453 CG ARG A 100 96.085 -6.080 6.150 1.00 0.00 C ATOM 1454 CD ARG A 100 97.483 -6.565 6.540 1.00 0.00 C ATOM 1455 NE ARG A 100 97.257 -7.828 7.273 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.267 -8.590 7.596 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.925 -8.369 8.701 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.620 -9.571 6.811 1.00 0.00 N ATOM 0 H ARG A 100 95.327 -5.162 2.459 1.00 0.00 H new ATOM 0 HA ARG A 100 94.269 -4.534 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.733 -6.517 4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.088 -5.443 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.798 -5.230 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.352 -6.867 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.105 -6.725 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.995 -5.833 7.164 1.00 0.00 H new ATOM 0 HE ARG A 100 96.309 -8.105 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.650 -7.601 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.714 -8.965 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 100 98.107 -9.742 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.409 -10.167 7.062 1.00 0.00 H new ATOM 1472 N ASN A 101 96.888 -2.809 4.115 1.00 0.00 N ATOM 1473 CA ASN A 101 97.630 -1.559 4.440 1.00 0.00 C ATOM 1474 C ASN A 101 96.690 -0.353 4.368 1.00 0.00 C ATOM 1475 O ASN A 101 96.796 0.577 5.142 1.00 0.00 O ATOM 1476 CB ASN A 101 98.720 -1.458 3.372 1.00 0.00 C ATOM 1477 CG ASN A 101 99.976 -2.176 3.853 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.005 -2.719 4.940 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.023 -2.204 3.081 1.00 0.00 N ATOM 0 H ASN A 101 97.226 -3.315 3.296 1.00 0.00 H new ATOM 0 HA ASN A 101 98.047 -1.574 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.371 -1.900 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.944 -0.412 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.870 -2.682 3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.997 -1.748 2.169 1.00 0.00 H new ATOM 1486 N ALA A 102 95.769 -0.363 3.444 1.00 0.00 N ATOM 1487 CA ALA A 102 94.822 0.782 3.322 1.00 0.00 C ATOM 1488 C ALA A 102 93.836 0.782 4.493 1.00 0.00 C ATOM 1489 O ALA A 102 93.520 1.813 5.051 1.00 0.00 O ATOM 1490 CB ALA A 102 94.086 0.550 2.001 1.00 0.00 C ATOM 0 H ALA A 102 95.631 -1.114 2.768 1.00 0.00 H new ATOM 0 HA ALA A 102 95.334 1.744 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.368 1.354 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.805 0.534 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.560 -0.404 2.040 1.00 0.00 H new ATOM 1496 N ALA A 103 93.348 -0.368 4.871 1.00 0.00 N ATOM 1497 CA ALA A 103 92.385 -0.431 6.006 1.00 0.00 C ATOM 1498 C ALA A 103 93.106 -0.140 7.325 1.00 0.00 C ATOM 1499 O ALA A 103 92.640 0.629 8.142 1.00 0.00 O ATOM 1500 CB ALA A 103 91.847 -1.861 5.992 1.00 0.00 C ATOM 0 H ALA A 103 93.575 -1.266 4.443 1.00 0.00 H new ATOM 0 HA ALA A 103 91.586 0.304 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.129 -1.987 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.357 -2.056 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.672 -2.561 6.126 1.00 0.00 H new ATOM 1506 N ILE A 104 94.242 -0.747 7.538 1.00 0.00 N ATOM 1507 CA ILE A 104 94.991 -0.500 8.802 1.00 0.00 C ATOM 1508 C ILE A 104 95.383 0.977 8.898 1.00 0.00 C ATOM 1509 O ILE A 104 95.416 1.555 9.968 1.00 0.00 O ATOM 1510 CB ILE A 104 96.236 -1.380 8.707 1.00 0.00 C ATOM 1511 CG1 ILE A 104 95.819 -2.852 8.715 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.149 -1.103 9.902 1.00 0.00 C ATOM 1513 CD1 ILE A 104 96.974 -3.711 8.199 1.00 0.00 C ATOM 0 H ILE A 104 94.683 -1.402 6.892 1.00 0.00 H new ATOM 0 HA ILE A 104 94.398 -0.732 9.687 1.00 0.00 H new ATOM 0 HB ILE A 104 96.770 -1.157 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 104 95.547 -3.158 9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 104 94.938 -2.995 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.037 -1.731 9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.445 -0.054 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 104 96.616 -1.326 10.826 1.00 0.00 H new ATOM 0 HD11 ILE A 104 96.678 -4.760 8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.225 -3.410 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 104 97.843 -3.576 8.842 1.00 0.00 H new ATOM 1525 N CYS A 105 95.674 1.593 7.787 1.00 0.00 N ATOM 1526 CA CYS A 105 96.058 3.031 7.816 1.00 0.00 C ATOM 1527 C CYS A 105 94.878 3.860 8.324 1.00 0.00 C ATOM 1528 O CYS A 105 95.019 4.685 9.206 1.00 0.00 O ATOM 1529 CB CYS A 105 96.389 3.384 6.366 1.00 0.00 C ATOM 1530 SG CYS A 105 97.432 4.862 6.325 1.00 0.00 S ATOM 0 H CYS A 105 95.663 1.164 6.862 1.00 0.00 H new ATOM 0 HA CYS A 105 96.902 3.231 8.476 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.902 2.551 5.886 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.471 3.559 5.805 1.00 0.00 H new ATOM 1535 N PHE A 106 93.712 3.638 7.782 1.00 0.00 N ATOM 1536 CA PHE A 106 92.523 4.397 8.239 1.00 0.00 C ATOM 1537 C PHE A 106 92.376 4.257 9.752 1.00 0.00 C ATOM 1538 O PHE A 106 92.027 5.192 10.447 1.00 0.00 O ATOM 1539 CB PHE A 106 91.335 3.741 7.532 1.00 0.00 C ATOM 1540 CG PHE A 106 91.491 3.857 6.035 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.064 5.004 5.472 1.00 0.00 C ATOM 1542 CD2 PHE A 106 91.055 2.814 5.207 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.201 5.107 4.083 1.00 0.00 C ATOM 1544 CE2 PHE A 106 91.193 2.919 3.818 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.765 4.066 3.256 1.00 0.00 C ATOM 0 H PHE A 106 93.535 2.961 7.040 1.00 0.00 H new ATOM 0 HA PHE A 106 92.596 5.460 8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.267 2.691 7.818 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.407 4.218 7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.400 5.809 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.613 1.929 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.644 5.991 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.858 2.115 3.180 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.870 4.148 2.184 1.00 0.00 H new ATOM 1555 N SER A 107 92.638 3.087 10.264 1.00 0.00 N ATOM 1556 CA SER A 107 92.513 2.863 11.733 1.00 0.00 C ATOM 1557 C SER A 107 93.737 3.419 12.467 1.00 0.00 C ATOM 1558 O SER A 107 93.783 3.441 13.681 1.00 0.00 O ATOM 1559 CB SER A 107 92.439 1.346 11.898 1.00 0.00 C ATOM 1560 OG SER A 107 93.752 0.828 12.070 1.00 0.00 O ATOM 0 H SER A 107 92.935 2.272 9.727 1.00 0.00 H new ATOM 0 HA SER A 107 91.640 3.365 12.149 1.00 0.00 H new ATOM 0 HB2 SER A 107 91.820 1.092 12.758 1.00 0.00 H new ATOM 0 HB3 SER A 107 91.970 0.896 11.023 1.00 0.00 H new ATOM 0 HG SER A 107 94.313 1.100 11.314 1.00 0.00 H new ATOM 1566 N LYS A 108 94.730 3.867 11.746 1.00 0.00 N ATOM 1567 CA LYS A 108 95.944 4.413 12.418 1.00 0.00 C ATOM 1568 C LYS A 108 95.901 5.942 12.436 1.00 0.00 C ATOM 1569 O LYS A 108 96.652 6.585 13.142 1.00 0.00 O ATOM 1570 CB LYS A 108 97.120 3.920 11.576 1.00 0.00 C ATOM 1571 CG LYS A 108 97.256 2.404 11.728 1.00 0.00 C ATOM 1572 CD LYS A 108 98.468 2.086 12.608 1.00 0.00 C ATOM 1573 CE LYS A 108 97.993 1.624 13.987 1.00 0.00 C ATOM 1574 NZ LYS A 108 98.688 0.325 14.215 1.00 0.00 N ATOM 0 H LYS A 108 94.753 3.879 10.726 1.00 0.00 H new ATOM 0 HA LYS A 108 96.020 4.087 13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 108 96.965 4.179 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.040 4.412 11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 108 96.351 1.990 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.372 1.939 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.075 1.310 12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.100 2.968 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 108 98.250 2.351 14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 108 96.910 1.503 14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 98.414 -0.057 15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 98.419 -0.348 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 99.717 0.473 14.192 1.00 0.00 H new ATOM 1588 N VAL A 109 95.029 6.532 11.666 1.00 0.00 N ATOM 1589 CA VAL A 109 94.943 8.019 11.644 1.00 0.00 C ATOM 1590 C VAL A 109 93.539 8.473 12.051 1.00 0.00 C ATOM 1591 O VAL A 109 92.606 7.695 12.033 1.00 0.00 O ATOM 1592 CB VAL A 109 95.238 8.412 10.196 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.462 7.641 9.698 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.031 8.076 9.318 1.00 0.00 C ATOM 0 H VAL A 109 94.373 6.049 11.052 1.00 0.00 H new ATOM 0 HA VAL A 109 95.640 8.484 12.341 1.00 0.00 H new ATOM 0 HB VAL A 109 95.436 9.483 10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.673 7.921 8.666 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.322 7.882 10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.264 6.570 9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.242 8.357 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 109 93.830 7.006 9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.159 8.626 9.672 1.00 0.00 H new ATOM 1604 N PRO A 110 93.438 9.724 12.407 1.00 0.00 N ATOM 1605 CA PRO A 110 92.134 10.293 12.825 1.00 0.00 C ATOM 1606 C PRO A 110 91.214 10.456 11.611 1.00 0.00 C ATOM 1607 O PRO A 110 91.555 10.078 10.508 1.00 0.00 O ATOM 1608 CB PRO A 110 92.509 11.649 13.417 1.00 0.00 C ATOM 1609 CG PRO A 110 93.807 12.010 12.770 1.00 0.00 C ATOM 1610 CD PRO A 110 94.516 10.717 12.451 1.00 0.00 C ATOM 0 HA PRO A 110 91.594 9.664 13.532 1.00 0.00 H new ATOM 0 HB2 PRO A 110 91.743 12.396 13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 110 92.611 11.592 14.501 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.637 12.591 11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.411 12.627 13.435 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.044 10.775 11.499 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.256 10.469 13.212 1.00 0.00 H new ATOM 1618 N TYR A 111 90.051 11.012 11.805 1.00 0.00 N ATOM 1619 CA TYR A 111 89.113 11.193 10.661 1.00 0.00 C ATOM 1620 C TYR A 111 88.569 12.624 10.639 1.00 0.00 C ATOM 1621 O TYR A 111 87.606 12.943 11.307 1.00 0.00 O ATOM 1622 CB TYR A 111 87.985 10.192 10.919 1.00 0.00 C ATOM 1623 CG TYR A 111 86.869 10.417 9.927 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.053 10.088 8.579 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.650 10.952 10.358 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.016 10.294 7.660 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.613 11.158 9.440 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.796 10.829 8.091 1.00 0.00 C ATOM 1629 OH TYR A 111 83.774 11.030 7.186 1.00 0.00 O ATOM 0 H TYR A 111 89.709 11.349 12.705 1.00 0.00 H new ATOM 0 HA TYR A 111 89.597 11.027 9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.363 9.173 10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.609 10.307 11.936 1.00 0.00 H new ATOM 0 HD1 TYR A 111 87.994 9.675 8.247 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.509 11.206 11.398 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.157 10.040 6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.672 11.571 9.772 1.00 0.00 H new ATOM 0 HH TYR A 111 84.147 11.343 6.336 1.00 0.00 H new ATOM 1639 N ASN A 112 89.178 13.490 9.875 1.00 0.00 N ATOM 1640 CA ASN A 112 88.693 14.899 9.813 1.00 0.00 C ATOM 1641 C ASN A 112 87.277 14.940 9.229 1.00 0.00 C ATOM 1642 O ASN A 112 87.083 15.197 8.058 1.00 0.00 O ATOM 1643 CB ASN A 112 89.680 15.616 8.890 1.00 0.00 C ATOM 1644 CG ASN A 112 90.995 15.853 9.635 1.00 0.00 C ATOM 1645 OD1 ASN A 112 91.148 16.844 10.322 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.959 14.979 9.529 1.00 0.00 N ATOM 0 H ASN A 112 89.989 13.283 9.292 1.00 0.00 H new ATOM 0 HA ASN A 112 88.645 15.367 10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.859 15.018 7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 112 89.261 16.566 8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.839 15.128 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.832 14.147 8.953 1.00 0.00 H new ATOM 1653 N LYS A 113 86.286 14.681 10.040 1.00 0.00 N ATOM 1654 CA LYS A 113 84.881 14.697 9.542 1.00 0.00 C ATOM 1655 C LYS A 113 84.614 15.958 8.715 1.00 0.00 C ATOM 1656 O LYS A 113 83.873 15.935 7.752 1.00 0.00 O ATOM 1657 CB LYS A 113 84.017 14.694 10.803 1.00 0.00 C ATOM 1658 CG LYS A 113 82.827 13.756 10.603 1.00 0.00 C ATOM 1659 CD LYS A 113 81.547 14.443 11.085 1.00 0.00 C ATOM 1660 CE LYS A 113 80.399 14.104 10.132 1.00 0.00 C ATOM 1661 NZ LYS A 113 79.190 14.026 11.000 1.00 0.00 N ATOM 0 H LYS A 113 86.390 14.458 11.030 1.00 0.00 H new ATOM 0 HA LYS A 113 84.668 13.847 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 113 84.608 14.372 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.666 15.703 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 113 82.734 13.489 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 113 82.984 12.829 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.304 14.116 12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 113 81.694 15.522 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 113 80.285 14.868 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 113 80.578 13.160 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 78.359 13.797 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 79.325 13.286 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 79.041 14.941 11.471 1.00 0.00 H new ATOM 1675 N GLU A 114 85.203 17.061 9.087 1.00 0.00 N ATOM 1676 CA GLU A 114 84.975 18.316 8.328 1.00 0.00 C ATOM 1677 C GLU A 114 85.423 18.144 6.877 1.00 0.00 C ATOM 1678 O GLU A 114 84.929 18.797 5.979 1.00 0.00 O ATOM 1679 CB GLU A 114 85.830 19.368 9.034 1.00 0.00 C ATOM 1680 CG GLU A 114 85.635 20.725 8.354 1.00 0.00 C ATOM 1681 CD GLU A 114 86.888 21.078 7.549 1.00 0.00 C ATOM 1682 OE1 GLU A 114 87.783 20.252 7.489 1.00 0.00 O ATOM 1683 OE2 GLU A 114 86.928 22.169 7.005 1.00 0.00 O ATOM 0 H GLU A 114 85.833 17.144 9.885 1.00 0.00 H new ATOM 0 HA GLU A 114 83.922 18.598 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.551 19.433 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.881 19.080 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.765 20.693 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 114 85.442 21.494 9.102 1.00 0.00 H new ATOM 1690 N HIS A 115 86.356 17.265 6.643 1.00 0.00 N ATOM 1691 CA HIS A 115 86.844 17.042 5.253 1.00 0.00 C ATOM 1692 C HIS A 115 85.955 16.021 4.538 1.00 0.00 C ATOM 1693 O HIS A 115 86.220 15.631 3.418 1.00 0.00 O ATOM 1694 CB HIS A 115 88.259 16.497 5.425 1.00 0.00 C ATOM 1695 CG HIS A 115 89.234 17.641 5.490 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.755 18.341 6.549 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 89.796 18.201 4.353 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 90.627 19.319 6.082 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 90.615 19.191 4.752 1.00 0.00 N flip ATOM 0 H HIS A 115 86.803 16.689 7.356 1.00 0.00 H new ATOM 0 HA HIS A 115 86.824 17.951 4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.322 15.900 6.335 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.510 15.838 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 115 89.610 17.898 3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 115 91.192 20.029 6.668 1.00 0.00 H new ATOM 0 HE2 HIS A 115 91.160 19.773 4.116 1.00 0.00 H new ATOM 1707 N LYS A 116 84.902 15.587 5.176 1.00 0.00 N ATOM 1708 CA LYS A 116 83.997 14.600 4.538 1.00 0.00 C ATOM 1709 C LYS A 116 83.284 15.242 3.344 1.00 0.00 C ATOM 1710 O LYS A 116 82.885 16.389 3.394 1.00 0.00 O ATOM 1711 CB LYS A 116 83.004 14.240 5.641 1.00 0.00 C ATOM 1712 CG LYS A 116 81.759 13.619 5.025 1.00 0.00 C ATOM 1713 CD LYS A 116 82.123 12.281 4.375 1.00 0.00 C ATOM 1714 CE LYS A 116 81.551 11.132 5.208 1.00 0.00 C ATOM 1715 NZ LYS A 116 82.293 9.922 4.755 1.00 0.00 N ATOM 0 H LYS A 116 84.632 15.877 6.116 1.00 0.00 H new ATOM 0 HA LYS A 116 84.519 13.724 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.462 13.542 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.736 15.132 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 116 80.998 13.468 5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 116 81.334 14.293 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.728 12.239 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 116 83.206 12.185 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 116 81.695 11.307 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.479 11.022 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 81.746 9.070 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 82.434 9.966 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 83.218 9.884 5.230 1.00 0.00 H new ATOM 1729 N ASN A 117 83.127 14.519 2.269 1.00 0.00 N ATOM 1730 CA ASN A 117 82.446 15.103 1.078 1.00 0.00 C ATOM 1731 C ASN A 117 82.983 16.513 0.819 1.00 0.00 C ATOM 1732 O ASN A 117 82.237 17.469 0.735 1.00 0.00 O ATOM 1733 CB ASN A 117 80.963 15.148 1.449 1.00 0.00 C ATOM 1734 CG ASN A 117 80.482 13.738 1.798 1.00 0.00 C ATOM 1735 OD1 ASN A 117 81.111 12.764 1.435 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.387 13.588 2.490 1.00 0.00 N ATOM 0 H ASN A 117 83.439 13.554 2.164 1.00 0.00 H new ATOM 0 HA ASN A 117 82.615 14.522 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.809 15.816 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.381 15.547 0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.058 12.652 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 117 78.860 14.406 2.794 1.00 0.00 H new ATOM 1743 N LEU A 118 84.275 16.645 0.702 1.00 0.00 N ATOM 1744 CA LEU A 118 84.880 17.960 0.462 1.00 0.00 C ATOM 1745 C LEU A 118 84.693 18.353 -1.007 1.00 0.00 C ATOM 1746 O LEU A 118 84.241 17.572 -1.820 1.00 0.00 O ATOM 1747 CB LEU A 118 86.346 17.714 0.823 1.00 0.00 C ATOM 1748 CG LEU A 118 87.271 18.648 0.060 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.222 20.051 0.672 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.703 18.115 0.141 1.00 0.00 C ATOM 0 H LEU A 118 84.940 15.874 0.766 1.00 0.00 H new ATOM 0 HA LEU A 118 84.446 18.780 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.487 17.856 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.608 16.679 0.601 1.00 0.00 H new ATOM 0 HG LEU A 118 86.949 18.699 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.888 20.713 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.203 20.435 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.540 20.005 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.371 18.782 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.014 18.065 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.746 17.119 -0.299 1.00 0.00 H new ATOM 1762 N ASP A 119 85.036 19.556 -1.343 1.00 0.00 N ATOM 1763 CA ASP A 119 84.882 20.021 -2.752 1.00 0.00 C ATOM 1764 C ASP A 119 86.140 19.699 -3.561 1.00 0.00 C ATOM 1765 O ASP A 119 87.222 20.158 -3.253 1.00 0.00 O ATOM 1766 CB ASP A 119 84.687 21.534 -2.652 1.00 0.00 C ATOM 1767 CG ASP A 119 84.041 22.052 -3.938 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.985 21.298 -4.895 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.613 23.194 -3.944 1.00 0.00 O ATOM 0 H ASP A 119 85.421 20.249 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 119 84.048 19.532 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.058 21.774 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.647 22.025 -2.491 1.00 0.00 H new ATOM 1774 N LYS A 120 86.004 18.917 -4.594 1.00 0.00 N ATOM 1775 CA LYS A 120 87.187 18.566 -5.423 1.00 0.00 C ATOM 1776 C LYS A 120 88.025 19.815 -5.706 1.00 0.00 C ATOM 1777 O LYS A 120 89.212 19.736 -5.949 1.00 0.00 O ATOM 1778 CB LYS A 120 86.609 18.005 -6.724 1.00 0.00 C ATOM 1779 CG LYS A 120 86.277 16.525 -6.540 1.00 0.00 C ATOM 1780 CD LYS A 120 86.105 15.867 -7.909 1.00 0.00 C ATOM 1781 CE LYS A 120 86.658 14.441 -7.864 1.00 0.00 C ATOM 1782 NZ LYS A 120 87.638 14.373 -8.983 1.00 0.00 N ATOM 0 H LYS A 120 85.122 18.505 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 120 87.841 17.850 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.712 18.557 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.326 18.129 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 120 87.073 16.029 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 120 85.364 16.416 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 120 85.051 15.851 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.626 16.447 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 120 87.137 14.233 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 120 85.864 13.705 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 88.061 13.423 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 87.153 14.568 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 88.386 15.080 -8.833 1.00 0.00 H new ATOM 1796 N LYS A 121 87.415 20.966 -5.673 1.00 0.00 N ATOM 1797 CA LYS A 121 88.177 22.221 -5.937 1.00 0.00 C ATOM 1798 C LYS A 121 89.298 22.374 -4.919 1.00 0.00 C ATOM 1799 O LYS A 121 90.251 23.101 -5.119 1.00 0.00 O ATOM 1800 CB LYS A 121 87.158 23.339 -5.770 1.00 0.00 C ATOM 1801 CG LYS A 121 86.495 23.634 -7.114 1.00 0.00 C ATOM 1802 CD LYS A 121 87.247 24.763 -7.821 1.00 0.00 C ATOM 1803 CE LYS A 121 86.985 26.084 -7.095 1.00 0.00 C ATOM 1804 NZ LYS A 121 88.313 26.757 -7.028 1.00 0.00 N ATOM 0 H LYS A 121 86.423 21.094 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 121 88.636 22.227 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.404 23.051 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.647 24.236 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.495 22.738 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.453 23.916 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 121 88.316 24.549 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 121 86.923 24.836 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 121 86.260 26.694 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 121 86.579 25.913 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 88.215 27.672 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 88.980 26.156 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 88.672 26.913 -7.991 1.00 0.00 H new ATOM 1818 N ASN A 122 89.195 21.667 -3.843 1.00 0.00 N ATOM 1819 CA ASN A 122 90.249 21.715 -2.799 1.00 0.00 C ATOM 1820 C ASN A 122 91.158 20.512 -2.988 1.00 0.00 C ATOM 1821 O ASN A 122 92.168 20.352 -2.332 1.00 0.00 O ATOM 1822 CB ASN A 122 89.495 21.586 -1.485 1.00 0.00 C ATOM 1823 CG ASN A 122 89.123 22.972 -0.959 1.00 0.00 C ATOM 1824 OD1 ASN A 122 89.912 23.618 -0.298 1.00 0.00 O ATOM 1825 ND2 ASN A 122 87.942 23.456 -1.226 1.00 0.00 N ATOM 0 H ASN A 122 88.414 21.046 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 122 90.855 22.621 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.595 20.989 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.110 21.063 -0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.679 24.379 -0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.281 22.912 -1.781 1.00 0.00 H new ATOM 1832 N CYS A 123 90.768 19.659 -3.880 1.00 0.00 N ATOM 1833 CA CYS A 123 91.543 18.425 -4.151 1.00 0.00 C ATOM 1834 C CYS A 123 92.507 18.643 -5.322 1.00 0.00 C ATOM 1835 O CYS A 123 92.526 19.741 -5.851 1.00 0.00 O ATOM 1836 CB CYS A 123 90.466 17.409 -4.519 1.00 0.00 C ATOM 1837 SG CYS A 123 89.910 16.542 -3.029 1.00 0.00 S ATOM 1838 OXT CYS A 123 93.210 17.707 -5.665 1.00 0.00 O ATOM 0 H CYS A 123 89.926 19.766 -4.446 1.00 0.00 H new ATOM 0 HA CYS A 123 92.157 18.109 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.624 17.913 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.859 16.694 -5.242 1.00 0.00 H new