USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot -119:sc= 0.952 USER MOD Set 1.2: A 81 CYS SG : rot 58:sc= 1.26 USER MOD Set 2.1: A 11 ASN : amide:sc= -2.69! C(o=-2.6!,f=-4.9!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.84 K(o=-2.6,f=-5.3!) USER MOD Set 2.3: A 36 SER OG : rot 117:sc= 0.953 USER MOD Set 3.1: A 13 GLN : amide:sc= 2.31 K(o=3.2,f=-9.4!) USER MOD Set 3.2: A 88 GLN : amide:sc= 0.914 K(o=3.2,f=-8.3!) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00408) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.729 (180deg=0.633) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -172:sc= 1.07 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0585 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.81 K(o=1.8,f=-0.014) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.064 (180deg=-0.459) USER MOD Single : A 22 CYS SG : rot 77:sc= -0.661 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.709) USER MOD Single : A 30 MET CE :methyl -164:sc= 0 (180deg=-0.543) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.28) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.87 K(o=1.9,f=-10!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.359 USER MOD Single : A 55 CYS SG : rot 150:sc= -0.651 USER MOD Single : A 57 ASN : amide:sc= 1.16 K(o=1.2,f=-0.028) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= 1.17 (180deg=-0.00909) USER MOD Single : A 62 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 9:sc= 1.17 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.451 X(o=0.45,f=-0.011) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.311 -1.349 -0.848 1.00 0.00 N ATOM 2 CA MET A 1 3.902 -0.869 -2.117 1.00 0.00 C ATOM 3 C MET A 1 4.951 0.189 -1.790 1.00 0.00 C ATOM 4 O MET A 1 4.656 1.167 -1.101 1.00 0.00 O ATOM 5 CB MET A 1 2.843 -0.328 -3.101 1.00 0.00 C ATOM 6 CG MET A 1 3.454 -0.020 -4.479 1.00 0.00 C ATOM 7 SD MET A 1 2.263 0.545 -5.727 1.00 0.00 S ATOM 8 CE MET A 1 3.368 0.693 -7.161 1.00 0.00 C ATOM 0 H1 MET A 1 2.761 -2.214 -1.026 1.00 0.00 H new ATOM 0 H2 MET A 1 4.070 -1.555 -0.168 1.00 0.00 H new ATOM 0 H3 MET A 1 2.686 -0.616 -0.457 1.00 0.00 H new ATOM 0 HA MET A 1 4.368 -1.713 -2.626 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.042 -1.059 -3.213 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.394 0.577 -2.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.223 0.743 -4.358 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.951 -0.917 -4.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.802 1.050 -8.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.166 1.399 -6.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.800 -0.281 -7.390 1.00 0.00 H new ATOM 20 N GLU A 2 6.176 0.003 -2.282 1.00 0.00 N ATOM 21 CA GLU A 2 7.297 0.901 -2.051 1.00 0.00 C ATOM 22 C GLU A 2 7.826 1.254 -3.438 1.00 0.00 C ATOM 23 O GLU A 2 7.965 0.365 -4.287 1.00 0.00 O ATOM 24 CB GLU A 2 8.374 0.226 -1.183 1.00 0.00 C ATOM 25 CG GLU A 2 7.876 -0.259 0.192 1.00 0.00 C ATOM 26 CD GLU A 2 7.166 -1.629 0.155 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.847 -2.665 -0.021 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.928 -1.687 0.339 1.00 0.00 O ATOM 0 H GLU A 2 6.417 -0.798 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 2 6.998 1.795 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.781 -0.625 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.193 0.929 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.724 -0.319 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.190 0.483 0.601 1.00 0.00 H new ATOM 35 N TRP A 3 8.051 2.540 -3.697 1.00 0.00 N ATOM 36 CA TRP A 3 8.446 3.003 -5.021 1.00 0.00 C ATOM 37 C TRP A 3 9.968 2.971 -5.141 1.00 0.00 C ATOM 38 O TRP A 3 10.679 2.896 -4.137 1.00 0.00 O ATOM 39 CB TRP A 3 7.917 4.421 -5.294 1.00 0.00 C ATOM 40 CG TRP A 3 6.458 4.648 -5.042 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.925 5.058 -3.872 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.330 4.513 -5.961 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.555 5.161 -3.987 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.129 4.842 -5.259 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.197 4.157 -7.321 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.868 4.808 -5.873 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.938 4.126 -7.950 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.773 4.443 -7.227 1.00 0.00 C ATOM 0 H TRP A 3 7.965 3.282 -3.002 1.00 0.00 H new ATOM 0 HA TRP A 3 8.010 2.337 -5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.483 5.121 -4.679 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.127 4.669 -6.334 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.489 5.274 -2.977 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.934 5.438 -3.227 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.079 3.903 -7.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.980 5.059 -5.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.866 3.857 -8.994 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.808 4.406 -7.711 1.00 0.00 H new ATOM 59 N LEU A 4 10.464 3.114 -6.364 1.00 0.00 N ATOM 60 CA LEU A 4 11.860 3.309 -6.706 1.00 0.00 C ATOM 61 C LEU A 4 11.963 4.674 -7.370 1.00 0.00 C ATOM 62 O LEU A 4 11.176 5.001 -8.257 1.00 0.00 O ATOM 63 CB LEU A 4 12.296 2.197 -7.668 1.00 0.00 C ATOM 64 CG LEU A 4 13.736 2.280 -8.207 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.782 2.048 -7.114 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.923 1.218 -9.299 1.00 0.00 C ATOM 0 H LEU A 4 9.864 3.095 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 4 12.506 3.269 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.177 1.240 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.613 2.194 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 4 13.882 3.285 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.781 2.117 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.670 2.804 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.642 1.058 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.940 1.270 -9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.745 0.228 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.217 1.401 -10.109 1.00 0.00 H new ATOM 78 N VAL A 5 12.936 5.457 -6.933 1.00 0.00 N ATOM 79 CA VAL A 5 13.365 6.699 -7.551 1.00 0.00 C ATOM 80 C VAL A 5 14.299 6.260 -8.661 1.00 0.00 C ATOM 81 O VAL A 5 15.392 5.755 -8.357 1.00 0.00 O ATOM 82 CB VAL A 5 14.105 7.603 -6.542 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.471 8.954 -7.171 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.248 7.842 -5.288 1.00 0.00 C ATOM 0 H VAL A 5 13.474 5.231 -6.096 1.00 0.00 H new ATOM 0 HA VAL A 5 12.523 7.287 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 5 15.021 7.086 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.991 9.569 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.120 8.791 -8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.563 9.464 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.791 8.482 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.314 8.326 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.030 6.888 -4.809 1.00 0.00 H new ATOM 94 N LYS A 6 13.845 6.448 -9.910 1.00 0.00 N ATOM 95 CA LYS A 6 14.591 6.176 -11.145 1.00 0.00 C ATOM 96 C LYS A 6 15.178 7.452 -11.754 1.00 0.00 C ATOM 97 O LYS A 6 16.143 7.354 -12.506 1.00 0.00 O ATOM 98 CB LYS A 6 13.675 5.499 -12.181 1.00 0.00 C ATOM 99 CG LYS A 6 13.537 3.982 -11.961 1.00 0.00 C ATOM 100 CD LYS A 6 14.490 3.131 -12.826 1.00 0.00 C ATOM 101 CE LYS A 6 15.968 3.552 -12.735 1.00 0.00 C ATOM 102 NZ LYS A 6 16.857 2.653 -13.515 1.00 0.00 N ATOM 0 H LYS A 6 12.909 6.809 -10.093 1.00 0.00 H new ATOM 0 HA LYS A 6 15.415 5.513 -10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.687 5.958 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.069 5.681 -13.181 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.722 3.760 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.509 3.687 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.402 2.087 -12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.170 3.191 -13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.076 4.573 -13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.280 3.552 -11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.842 2.975 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.775 1.682 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.577 2.672 -14.517 1.00 0.00 H new ATOM 116 N LYS A 7 14.630 8.629 -11.437 1.00 0.00 N ATOM 117 CA LYS A 7 15.152 9.953 -11.795 1.00 0.00 C ATOM 118 C LYS A 7 14.810 10.874 -10.627 1.00 0.00 C ATOM 119 O LYS A 7 13.827 10.615 -9.930 1.00 0.00 O ATOM 120 CB LYS A 7 14.573 10.479 -13.126 1.00 0.00 C ATOM 121 CG LYS A 7 14.966 9.576 -14.309 1.00 0.00 C ATOM 122 CD LYS A 7 14.724 10.229 -15.672 1.00 0.00 C ATOM 123 CE LYS A 7 14.978 9.236 -16.817 1.00 0.00 C ATOM 124 NZ LYS A 7 16.421 8.949 -17.029 1.00 0.00 N ATOM 0 H LYS A 7 13.767 8.688 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 7 16.228 9.906 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.487 10.534 -13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.933 11.492 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.020 9.312 -14.222 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.399 8.647 -14.253 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.699 10.595 -15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.378 11.094 -15.785 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.455 8.303 -16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.554 9.636 -17.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.529 8.274 -17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.920 9.832 -17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.825 8.540 -16.162 1.00 0.00 H new ATOM 138 N SER A 8 15.599 11.921 -10.406 1.00 0.00 N ATOM 139 CA SER A 8 15.416 12.913 -9.351 1.00 0.00 C ATOM 140 C SER A 8 15.931 14.247 -9.902 1.00 0.00 C ATOM 141 O SER A 8 16.765 14.269 -10.814 1.00 0.00 O ATOM 142 CB SER A 8 16.184 12.490 -8.091 1.00 0.00 C ATOM 143 OG SER A 8 15.820 13.303 -6.994 1.00 0.00 O ATOM 0 H SER A 8 16.419 12.110 -10.982 1.00 0.00 H new ATOM 0 HA SER A 8 14.368 13.005 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.973 11.445 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.257 12.567 -8.269 1.00 0.00 H new ATOM 0 HG SER A 8 16.410 13.112 -6.235 1.00 0.00 H new ATOM 149 N CYS A 9 15.441 15.350 -9.340 1.00 0.00 N ATOM 150 CA CYS A 9 15.691 16.712 -9.790 1.00 0.00 C ATOM 151 C CYS A 9 16.180 17.501 -8.576 1.00 0.00 C ATOM 152 O CYS A 9 15.399 18.213 -7.938 1.00 0.00 O ATOM 153 CB CYS A 9 14.422 17.324 -10.415 1.00 0.00 C ATOM 154 SG CYS A 9 13.667 16.201 -11.628 1.00 0.00 S ATOM 0 H CYS A 9 14.832 15.314 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 9 16.449 16.737 -10.573 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.701 17.550 -9.629 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.673 18.268 -10.899 1.00 0.00 H new ATOM 0 HG CYS A 9 13.655 16.770 -12.797 1.00 0.00 H new ATOM 160 N CYS A 10 17.452 17.296 -8.218 1.00 0.00 N ATOM 161 CA CYS A 10 18.107 17.910 -7.066 1.00 0.00 C ATOM 162 C CYS A 10 17.880 19.426 -7.075 1.00 0.00 C ATOM 163 O CYS A 10 18.062 20.071 -8.112 1.00 0.00 O ATOM 164 CB CYS A 10 19.606 17.578 -7.090 1.00 0.00 C ATOM 165 SG CYS A 10 19.856 15.776 -7.134 1.00 0.00 S ATOM 0 H CYS A 10 18.071 16.677 -8.742 1.00 0.00 H new ATOM 0 HA CYS A 10 17.677 17.511 -6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.073 18.038 -7.961 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.092 17.998 -6.209 1.00 0.00 H new ATOM 0 HG CYS A 10 21.129 15.515 -7.156 1.00 0.00 H new ATOM 171 N ASN A 11 17.490 19.994 -5.931 1.00 0.00 N ATOM 172 CA ASN A 11 17.127 21.402 -5.808 1.00 0.00 C ATOM 173 C ASN A 11 17.505 21.931 -4.429 1.00 0.00 C ATOM 174 O ASN A 11 17.567 21.189 -3.447 1.00 0.00 O ATOM 175 CB ASN A 11 15.624 21.618 -6.083 1.00 0.00 C ATOM 176 CG ASN A 11 14.790 21.768 -4.818 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.476 22.881 -4.400 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.483 20.665 -4.160 1.00 0.00 N ATOM 0 H ASN A 11 17.418 19.479 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 11 17.685 21.961 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.500 22.509 -6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.244 20.776 -6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.972 20.722 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.757 19.756 -4.532 1.00 0.00 H new ATOM 185 N LYS A 12 17.695 23.244 -4.379 1.00 0.00 N ATOM 186 CA LYS A 12 17.825 24.049 -3.164 1.00 0.00 C ATOM 187 C LYS A 12 17.139 25.411 -3.342 1.00 0.00 C ATOM 188 O LYS A 12 17.184 26.250 -2.444 1.00 0.00 O ATOM 189 CB LYS A 12 19.301 24.123 -2.714 1.00 0.00 C ATOM 190 CG LYS A 12 20.340 24.477 -3.793 1.00 0.00 C ATOM 191 CD LYS A 12 20.108 25.855 -4.426 1.00 0.00 C ATOM 192 CE LYS A 12 21.309 26.353 -5.247 1.00 0.00 C ATOM 193 NZ LYS A 12 21.575 25.538 -6.462 1.00 0.00 N ATOM 0 H LYS A 12 17.767 23.807 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 12 17.298 23.566 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.376 24.861 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.573 23.159 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.336 24.450 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.317 23.717 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.230 25.809 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.889 26.577 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.133 27.387 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.197 26.350 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.396 25.927 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.774 24.556 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.742 25.560 -7.084 1.00 0.00 H new ATOM 207 N GLN A 13 16.521 25.634 -4.507 1.00 0.00 N ATOM 208 CA GLN A 13 15.900 26.886 -4.890 1.00 0.00 C ATOM 209 C GLN A 13 14.556 27.038 -4.173 1.00 0.00 C ATOM 210 O GLN A 13 14.179 28.164 -3.847 1.00 0.00 O ATOM 211 CB GLN A 13 15.705 26.930 -6.420 1.00 0.00 C ATOM 212 CG GLN A 13 17.006 26.904 -7.251 1.00 0.00 C ATOM 213 CD GLN A 13 17.587 25.514 -7.540 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.238 24.513 -6.921 1.00 0.00 O ATOM 215 NE2 GLN A 13 18.523 25.418 -8.465 1.00 0.00 N ATOM 0 H GLN A 13 16.442 24.916 -5.227 1.00 0.00 H new ATOM 0 HA GLN A 13 16.547 27.713 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.087 26.082 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.149 27.833 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.817 27.403 -8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.761 27.491 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.816 26.247 -8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.953 24.515 -8.663 1.00 0.00 H new ATOM 224 N ASP A 14 13.836 25.933 -3.917 1.00 0.00 N ATOM 225 CA ASP A 14 12.481 26.013 -3.334 1.00 0.00 C ATOM 226 C ASP A 14 12.141 24.829 -2.416 1.00 0.00 C ATOM 227 O ASP A 14 10.999 24.670 -1.991 1.00 0.00 O ATOM 228 CB ASP A 14 11.459 26.154 -4.476 1.00 0.00 C ATOM 229 CG ASP A 14 10.093 26.747 -4.078 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.963 27.395 -3.014 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.162 26.659 -4.916 1.00 0.00 O ATOM 0 H ASP A 14 14.162 24.984 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 14 12.443 26.891 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.894 26.781 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.294 25.170 -4.915 1.00 0.00 H new ATOM 236 N ASN A 15 13.119 23.953 -2.148 1.00 0.00 N ATOM 237 CA ASN A 15 13.053 22.683 -1.409 1.00 0.00 C ATOM 238 C ASN A 15 12.210 21.627 -2.142 1.00 0.00 C ATOM 239 O ASN A 15 12.371 20.431 -1.901 1.00 0.00 O ATOM 240 CB ASN A 15 12.616 22.908 0.055 1.00 0.00 C ATOM 241 CG ASN A 15 13.153 21.878 1.059 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.526 22.239 2.171 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.211 20.599 0.727 1.00 0.00 N ATOM 0 H ASN A 15 14.068 24.133 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 15 14.061 22.270 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.941 23.901 0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.527 22.901 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.565 19.914 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.901 20.297 -0.197 1.00 0.00 H new ATOM 250 N ARG A 16 11.371 22.042 -3.086 1.00 0.00 N ATOM 251 CA ARG A 16 10.502 21.195 -3.896 1.00 0.00 C ATOM 252 C ARG A 16 11.335 20.423 -4.916 1.00 0.00 C ATOM 253 O ARG A 16 11.739 20.975 -5.941 1.00 0.00 O ATOM 254 CB ARG A 16 9.432 22.061 -4.579 1.00 0.00 C ATOM 255 CG ARG A 16 8.393 22.572 -3.566 1.00 0.00 C ATOM 256 CD ARG A 16 7.540 23.716 -4.117 1.00 0.00 C ATOM 257 NE ARG A 16 6.862 23.362 -5.374 1.00 0.00 N ATOM 258 CZ ARG A 16 6.749 24.122 -6.467 1.00 0.00 C ATOM 259 NH1 ARG A 16 7.298 25.334 -6.536 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.075 23.648 -7.507 1.00 0.00 N ATOM 0 H ARG A 16 11.274 23.030 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 16 9.995 20.468 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.908 22.908 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.932 21.480 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.742 21.748 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.906 22.909 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.795 23.999 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.172 24.588 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 16 6.432 22.438 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.820 25.703 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.196 25.893 -7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.655 22.720 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.977 24.212 -8.351 1.00 0.00 H new ATOM 274 N HIS A 17 11.613 19.160 -4.616 1.00 0.00 N ATOM 275 CA HIS A 17 12.200 18.216 -5.548 1.00 0.00 C ATOM 276 C HIS A 17 11.100 17.646 -6.443 1.00 0.00 C ATOM 277 O HIS A 17 9.910 17.740 -6.143 1.00 0.00 O ATOM 278 CB HIS A 17 12.851 17.067 -4.759 1.00 0.00 C ATOM 279 CG HIS A 17 14.151 17.447 -4.113 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.358 17.827 -2.808 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.359 17.471 -4.741 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.669 18.093 -2.661 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.320 17.918 -3.828 1.00 0.00 N ATOM 0 H HIS A 17 11.431 18.759 -3.696 1.00 0.00 H new ATOM 0 HA HIS A 17 12.951 18.718 -6.158 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.158 16.726 -3.990 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.020 16.225 -5.431 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.544 17.193 -5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.134 18.403 -1.737 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.311 18.079 -4.009 1.00 0.00 H new ATOM 291 N VAL A 18 11.509 16.985 -7.520 1.00 0.00 N ATOM 292 CA VAL A 18 10.646 16.140 -8.325 1.00 0.00 C ATOM 293 C VAL A 18 11.470 14.905 -8.613 1.00 0.00 C ATOM 294 O VAL A 18 12.686 14.980 -8.802 1.00 0.00 O ATOM 295 CB VAL A 18 10.203 16.815 -9.635 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.186 15.977 -10.425 1.00 0.00 C ATOM 297 CG2 VAL A 18 9.605 18.207 -9.405 1.00 0.00 C ATOM 0 H VAL A 18 12.469 17.025 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 18 9.720 15.918 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 18 11.119 16.906 -10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.911 16.504 -11.338 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.628 15.014 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.296 15.817 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.309 18.638 -10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.732 18.125 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.348 18.849 -8.932 1.00 0.00 H new ATOM 307 N LEU A 19 10.797 13.768 -8.606 1.00 0.00 N ATOM 308 CA LEU A 19 11.400 12.475 -8.875 1.00 0.00 C ATOM 309 C LEU A 19 10.437 11.645 -9.710 1.00 0.00 C ATOM 310 O LEU A 19 9.249 11.966 -9.804 1.00 0.00 O ATOM 311 CB LEU A 19 11.849 11.720 -7.598 1.00 0.00 C ATOM 312 CG LEU A 19 11.489 12.248 -6.192 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.864 11.170 -5.176 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.258 13.526 -5.824 1.00 0.00 C ATOM 0 H LEU A 19 9.797 13.717 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 19 12.320 12.647 -9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.452 10.708 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.935 11.640 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 19 10.424 12.482 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.620 11.516 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.307 10.258 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.933 10.966 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.965 13.852 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.329 13.324 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.026 14.310 -6.544 1.00 0.00 H new ATOM 326 N MET A 20 10.952 10.569 -10.303 1.00 0.00 N ATOM 327 CA MET A 20 10.136 9.608 -11.017 1.00 0.00 C ATOM 328 C MET A 20 9.943 8.433 -10.089 1.00 0.00 C ATOM 329 O MET A 20 10.895 7.711 -9.781 1.00 0.00 O ATOM 330 CB MET A 20 10.743 9.218 -12.366 1.00 0.00 C ATOM 331 CG MET A 20 10.283 10.252 -13.396 1.00 0.00 C ATOM 332 SD MET A 20 11.034 10.139 -15.040 1.00 0.00 S ATOM 333 CE MET A 20 10.713 8.408 -15.465 1.00 0.00 C ATOM 0 H MET A 20 11.947 10.345 -10.298 1.00 0.00 H new ATOM 0 HA MET A 20 9.169 10.038 -11.279 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.831 9.196 -12.305 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.420 8.218 -12.657 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.202 10.166 -13.507 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.484 11.246 -12.996 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.856 8.264 -16.536 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.402 7.765 -14.917 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.688 8.152 -15.198 1.00 0.00 H new ATOM 343 N LEU A 21 8.711 8.318 -9.604 1.00 0.00 N ATOM 344 CA LEU A 21 8.281 7.286 -8.678 1.00 0.00 C ATOM 345 C LEU A 21 7.856 6.107 -9.517 1.00 0.00 C ATOM 346 O LEU A 21 6.973 6.227 -10.362 1.00 0.00 O ATOM 347 CB LEU A 21 7.111 7.765 -7.804 1.00 0.00 C ATOM 348 CG LEU A 21 7.608 8.209 -6.424 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.597 9.381 -6.525 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.415 8.582 -5.540 1.00 0.00 C ATOM 0 H LEU A 21 7.963 8.964 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 21 9.092 7.024 -7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.600 8.593 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.382 6.962 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 21 8.144 7.375 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.926 9.666 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.460 9.079 -7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.108 10.230 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.773 8.897 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.860 9.398 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.762 7.717 -5.427 1.00 0.00 H new ATOM 362 N CYS A 22 8.492 4.973 -9.279 1.00 0.00 N ATOM 363 CA CYS A 22 8.387 3.817 -10.145 1.00 0.00 C ATOM 364 C CYS A 22 8.169 2.563 -9.315 1.00 0.00 C ATOM 365 O CYS A 22 8.361 2.575 -8.103 1.00 0.00 O ATOM 366 CB CYS A 22 9.676 3.700 -10.971 1.00 0.00 C ATOM 367 SG CYS A 22 10.063 5.272 -11.799 1.00 0.00 S ATOM 0 H CYS A 22 9.100 4.830 -8.472 1.00 0.00 H new ATOM 0 HA CYS A 22 7.536 3.931 -10.816 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.503 3.413 -10.322 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.566 2.911 -11.714 1.00 0.00 H new ATOM 0 HG CYS A 22 10.558 6.108 -10.935 1.00 0.00 H new ATOM 373 N ASP A 23 7.762 1.480 -9.966 1.00 0.00 N ATOM 374 CA ASP A 23 7.761 0.148 -9.365 1.00 0.00 C ATOM 375 C ASP A 23 9.183 -0.177 -8.884 1.00 0.00 C ATOM 376 O ASP A 23 10.153 0.317 -9.467 1.00 0.00 O ATOM 377 CB ASP A 23 7.271 -0.858 -10.422 1.00 0.00 C ATOM 378 CG ASP A 23 7.873 -2.259 -10.253 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.381 -3.030 -9.399 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.837 -2.563 -10.987 1.00 0.00 O ATOM 0 H ASP A 23 7.422 1.499 -10.928 1.00 0.00 H new ATOM 0 HA ASP A 23 7.094 0.097 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.185 -0.929 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.519 -0.481 -11.414 1.00 0.00 H new ATOM 385 N ALA A 24 9.318 -1.003 -7.841 1.00 0.00 N ATOM 386 CA ALA A 24 10.589 -1.530 -7.345 1.00 0.00 C ATOM 387 C ALA A 24 11.231 -2.475 -8.380 1.00 0.00 C ATOM 388 O ALA A 24 11.233 -3.698 -8.213 1.00 0.00 O ATOM 389 CB ALA A 24 10.373 -2.195 -5.978 1.00 0.00 C ATOM 0 H ALA A 24 8.517 -1.333 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 24 11.296 -0.713 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.321 -2.587 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.986 -1.459 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.658 -3.011 -6.079 1.00 0.00 H new ATOM 395 N GLY A 25 11.737 -1.899 -9.472 1.00 0.00 N ATOM 396 CA GLY A 25 12.191 -2.608 -10.665 1.00 0.00 C ATOM 397 C GLY A 25 12.016 -1.783 -11.944 1.00 0.00 C ATOM 398 O GLY A 25 12.630 -2.093 -12.966 1.00 0.00 O ATOM 0 H GLY A 25 11.845 -0.888 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.242 -2.872 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.637 -3.542 -10.761 1.00 0.00 H new ATOM 402 N GLY A 26 11.209 -0.722 -11.889 1.00 0.00 N ATOM 403 CA GLY A 26 10.984 0.225 -12.973 1.00 0.00 C ATOM 404 C GLY A 26 9.873 -0.188 -13.942 1.00 0.00 C ATOM 405 O GLY A 26 9.724 0.473 -14.970 1.00 0.00 O ATOM 0 H GLY A 26 10.674 -0.493 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.737 1.197 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.912 0.349 -13.532 1.00 0.00 H new ATOM 409 N ALA A 27 9.101 -1.248 -13.657 1.00 0.00 N ATOM 410 CA ALA A 27 8.097 -1.780 -14.587 1.00 0.00 C ATOM 411 C ALA A 27 6.888 -0.848 -14.793 1.00 0.00 C ATOM 412 O ALA A 27 6.137 -1.021 -15.754 1.00 0.00 O ATOM 413 CB ALA A 27 7.617 -3.149 -14.088 1.00 0.00 C ATOM 0 H ALA A 27 9.156 -1.759 -12.776 1.00 0.00 H new ATOM 0 HA ALA A 27 8.584 -1.868 -15.558 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.871 -3.546 -14.777 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.463 -3.834 -14.035 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.175 -3.041 -13.098 1.00 0.00 H new ATOM 419 N ILE A 28 6.699 0.128 -13.905 1.00 0.00 N ATOM 420 CA ILE A 28 5.651 1.146 -13.900 1.00 0.00 C ATOM 421 C ILE A 28 6.391 2.428 -13.517 1.00 0.00 C ATOM 422 O ILE A 28 7.302 2.351 -12.685 1.00 0.00 O ATOM 423 CB ILE A 28 4.566 0.797 -12.844 1.00 0.00 C ATOM 424 CG1 ILE A 28 3.894 -0.581 -13.047 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.490 1.895 -12.737 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.994 -0.698 -14.284 1.00 0.00 C ATOM 0 H ILE A 28 7.326 0.235 -13.107 1.00 0.00 H new ATOM 0 HA ILE A 28 5.133 1.231 -14.855 1.00 0.00 H new ATOM 0 HB ILE A 28 5.116 0.739 -11.905 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.673 -1.340 -13.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.299 -0.810 -12.163 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.752 1.609 -11.987 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.958 2.836 -12.446 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.998 2.018 -13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.572 -1.702 -14.334 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.187 0.032 -14.217 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.582 -0.507 -15.181 1.00 0.00 H new ATOM 438 N LYS A 29 6.022 3.588 -14.073 1.00 0.00 N ATOM 439 CA LYS A 29 6.666 4.865 -13.759 1.00 0.00 C ATOM 440 C LYS A 29 5.624 5.979 -13.687 1.00 0.00 C ATOM 441 O LYS A 29 4.670 6.005 -14.467 1.00 0.00 O ATOM 442 CB LYS A 29 7.754 5.213 -14.795 1.00 0.00 C ATOM 443 CG LYS A 29 8.863 4.147 -14.911 1.00 0.00 C ATOM 444 CD LYS A 29 10.152 4.728 -15.511 1.00 0.00 C ATOM 445 CE LYS A 29 11.351 3.767 -15.430 1.00 0.00 C ATOM 446 NZ LYS A 29 11.176 2.549 -16.265 1.00 0.00 N ATOM 0 H LYS A 29 5.267 3.666 -14.754 1.00 0.00 H new ATOM 0 HA LYS A 29 7.149 4.769 -12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.286 5.345 -15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.207 6.168 -14.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.075 3.734 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.512 3.323 -15.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.974 4.987 -16.555 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.401 5.653 -14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.252 4.292 -15.747 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.503 3.471 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.109 2.165 -16.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.641 1.835 -15.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.656 2.794 -17.132 1.00 0.00 H new ATOM 460 N MET A 30 5.842 6.923 -12.779 1.00 0.00 N ATOM 461 CA MET A 30 5.064 8.129 -12.534 1.00 0.00 C ATOM 462 C MET A 30 6.055 9.262 -12.259 1.00 0.00 C ATOM 463 O MET A 30 7.252 9.015 -12.104 1.00 0.00 O ATOM 464 CB MET A 30 4.124 7.944 -11.329 1.00 0.00 C ATOM 465 CG MET A 30 3.143 6.775 -11.470 1.00 0.00 C ATOM 466 SD MET A 30 1.537 6.992 -10.645 1.00 0.00 S ATOM 467 CE MET A 30 2.050 7.579 -9.006 1.00 0.00 C ATOM 0 H MET A 30 6.636 6.857 -12.142 1.00 0.00 H new ATOM 0 HA MET A 30 4.441 8.356 -13.399 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.726 7.792 -10.433 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.557 8.863 -11.180 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.965 6.599 -12.531 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.617 5.877 -11.073 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.218 7.485 -8.309 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.890 6.981 -8.652 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.351 8.624 -9.072 1.00 0.00 H new ATOM 477 N ILE A 31 5.573 10.496 -12.161 1.00 0.00 N ATOM 478 CA ILE A 31 6.347 11.681 -11.804 1.00 0.00 C ATOM 479 C ILE A 31 5.669 12.226 -10.550 1.00 0.00 C ATOM 480 O ILE A 31 4.437 12.282 -10.512 1.00 0.00 O ATOM 481 CB ILE A 31 6.344 12.709 -12.950 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.892 12.111 -14.263 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.198 13.943 -12.595 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.248 12.814 -15.452 1.00 0.00 C ATOM 0 H ILE A 31 4.591 10.708 -12.335 1.00 0.00 H new ATOM 0 HA ILE A 31 7.397 11.452 -11.624 1.00 0.00 H new ATOM 0 HB ILE A 31 5.303 13.000 -13.092 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.975 12.226 -14.303 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.683 11.042 -14.303 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.176 14.651 -13.424 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.796 14.419 -11.701 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.226 13.633 -12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.636 12.391 -16.379 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.167 12.676 -15.415 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.480 13.878 -15.414 1.00 0.00 H new ATOM 496 N ALA A 32 6.437 12.630 -9.539 1.00 0.00 N ATOM 497 CA ALA A 32 5.902 13.194 -8.311 1.00 0.00 C ATOM 498 C ALA A 32 6.767 14.371 -7.890 1.00 0.00 C ATOM 499 O ALA A 32 7.994 14.263 -7.862 1.00 0.00 O ATOM 500 CB ALA A 32 5.892 12.143 -7.199 1.00 0.00 C ATOM 0 H ALA A 32 7.455 12.573 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 32 4.878 13.525 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.488 12.582 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.271 11.300 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.909 11.797 -7.016 1.00 0.00 H new ATOM 506 N GLU A 33 6.122 15.480 -7.547 1.00 0.00 N ATOM 507 CA GLU A 33 6.764 16.610 -6.904 1.00 0.00 C ATOM 508 C GLU A 33 6.650 16.357 -5.401 1.00 0.00 C ATOM 509 O GLU A 33 5.599 15.920 -4.913 1.00 0.00 O ATOM 510 CB GLU A 33 6.047 17.910 -7.305 1.00 0.00 C ATOM 511 CG GLU A 33 6.753 19.157 -6.752 1.00 0.00 C ATOM 512 CD GLU A 33 5.915 20.430 -6.932 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.745 20.917 -8.070 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.480 21.018 -5.921 1.00 0.00 O ATOM 0 H GLU A 33 5.125 15.617 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 33 7.808 16.716 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.997 17.975 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.020 17.884 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.965 19.012 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.712 19.282 -7.255 1.00 0.00 H new ATOM 521 N VAL A 34 7.720 16.632 -4.662 1.00 0.00 N ATOM 522 CA VAL A 34 7.841 16.305 -3.254 1.00 0.00 C ATOM 523 C VAL A 34 8.643 17.408 -2.550 1.00 0.00 C ATOM 524 O VAL A 34 9.357 18.168 -3.205 1.00 0.00 O ATOM 525 CB VAL A 34 8.512 14.917 -3.093 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.842 13.776 -3.881 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.992 14.914 -3.499 1.00 0.00 C ATOM 0 H VAL A 34 8.544 17.100 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 34 6.855 16.250 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 34 8.395 14.732 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.382 12.846 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.809 13.664 -3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.860 14.010 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.404 13.914 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.083 15.205 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.541 15.620 -2.877 1.00 0.00 H new ATOM 537 N LYS A 35 8.579 17.491 -1.220 1.00 0.00 N ATOM 538 CA LYS A 35 9.497 18.308 -0.424 1.00 0.00 C ATOM 539 C LYS A 35 10.256 17.316 0.439 1.00 0.00 C ATOM 540 O LYS A 35 9.647 16.384 0.967 1.00 0.00 O ATOM 541 CB LYS A 35 8.757 19.366 0.412 1.00 0.00 C ATOM 542 CG LYS A 35 9.740 20.415 0.960 1.00 0.00 C ATOM 543 CD LYS A 35 9.060 21.506 1.803 1.00 0.00 C ATOM 544 CE LYS A 35 8.132 22.405 0.969 1.00 0.00 C ATOM 545 NZ LYS A 35 7.523 23.489 1.783 1.00 0.00 N ATOM 0 H LYS A 35 7.886 16.991 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 35 10.171 18.888 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.000 19.856 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.235 18.883 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.494 19.914 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.263 20.883 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.485 21.037 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.824 22.121 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.697 22.844 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.343 21.798 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.905 24.070 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.962 23.072 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.274 24.085 2.185 1.00 0.00 H new ATOM 559 N SER A 36 11.555 17.514 0.600 1.00 0.00 N ATOM 560 CA SER A 36 12.437 16.503 1.178 1.00 0.00 C ATOM 561 C SER A 36 13.230 17.103 2.333 1.00 0.00 C ATOM 562 O SER A 36 13.735 18.222 2.216 1.00 0.00 O ATOM 563 CB SER A 36 13.354 15.942 0.079 1.00 0.00 C ATOM 564 OG SER A 36 12.707 15.931 -1.187 1.00 0.00 O ATOM 0 H SER A 36 12.030 18.377 0.335 1.00 0.00 H new ATOM 0 HA SER A 36 11.850 15.678 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.261 16.543 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.659 14.929 0.341 1.00 0.00 H new ATOM 0 HG SER A 36 13.188 16.520 -1.805 1.00 0.00 H new ATOM 570 N ASP A 37 13.332 16.377 3.452 1.00 0.00 N ATOM 571 CA ASP A 37 14.071 16.845 4.628 1.00 0.00 C ATOM 572 C ASP A 37 15.569 16.529 4.506 1.00 0.00 C ATOM 573 O ASP A 37 16.396 17.141 5.184 1.00 0.00 O ATOM 574 CB ASP A 37 13.483 16.224 5.902 1.00 0.00 C ATOM 575 CG ASP A 37 14.037 16.897 7.171 1.00 0.00 C ATOM 576 OD1 ASP A 37 13.960 18.142 7.290 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.481 16.185 8.098 1.00 0.00 O ATOM 0 H ASP A 37 12.908 15.456 3.567 1.00 0.00 H new ATOM 0 HA ASP A 37 13.969 17.929 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.397 16.318 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.711 15.158 5.926 1.00 0.00 H new ATOM 582 N PHE A 38 15.916 15.615 3.593 1.00 0.00 N ATOM 583 CA PHE A 38 17.267 15.290 3.149 1.00 0.00 C ATOM 584 C PHE A 38 17.230 15.141 1.623 1.00 0.00 C ATOM 585 O PHE A 38 16.147 15.024 1.040 1.00 0.00 O ATOM 586 CB PHE A 38 17.758 13.984 3.802 1.00 0.00 C ATOM 587 CG PHE A 38 17.775 13.984 5.318 1.00 0.00 C ATOM 588 CD1 PHE A 38 16.590 13.722 6.031 1.00 0.00 C ATOM 589 CD2 PHE A 38 18.966 14.252 6.021 1.00 0.00 C ATOM 590 CE1 PHE A 38 16.590 13.743 7.436 1.00 0.00 C ATOM 591 CE2 PHE A 38 18.967 14.261 7.428 1.00 0.00 C ATOM 592 CZ PHE A 38 17.779 14.010 8.137 1.00 0.00 C ATOM 0 H PHE A 38 15.213 15.049 3.117 1.00 0.00 H new ATOM 0 HA PHE A 38 17.958 16.081 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 38 17.123 13.166 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.766 13.775 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 38 15.677 13.504 5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 38 19.879 14.451 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 38 15.675 13.554 7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.883 14.461 7.965 1.00 0.00 H new ATOM 0 HZ PHE A 38 17.780 14.022 9.217 1.00 0.00 H new ATOM 602 N ALA A 39 18.395 15.133 0.972 1.00 0.00 N ATOM 603 CA ALA A 39 18.494 14.869 -0.459 1.00 0.00 C ATOM 604 C ALA A 39 17.980 13.458 -0.781 1.00 0.00 C ATOM 605 O ALA A 39 18.084 12.545 0.042 1.00 0.00 O ATOM 606 CB ALA A 39 19.947 15.037 -0.920 1.00 0.00 C ATOM 0 H ALA A 39 19.292 15.309 1.424 1.00 0.00 H new ATOM 0 HA ALA A 39 17.872 15.585 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.015 14.839 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.277 16.056 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.583 14.336 -0.380 1.00 0.00 H new ATOM 612 N VAL A 40 17.490 13.270 -2.006 1.00 0.00 N ATOM 613 CA VAL A 40 16.952 12.015 -2.518 1.00 0.00 C ATOM 614 C VAL A 40 17.387 11.928 -3.982 1.00 0.00 C ATOM 615 O VAL A 40 17.377 12.936 -4.697 1.00 0.00 O ATOM 616 CB VAL A 40 15.421 11.972 -2.292 1.00 0.00 C ATOM 617 CG1 VAL A 40 14.662 13.208 -2.810 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.784 10.711 -2.889 1.00 0.00 C ATOM 0 H VAL A 40 17.457 14.021 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 40 17.332 11.136 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 40 15.320 11.962 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.597 13.091 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.031 14.100 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.820 13.308 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.710 10.725 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.969 10.683 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.220 9.827 -2.423 1.00 0.00 H new ATOM 628 N LYS A 41 17.822 10.749 -4.430 1.00 0.00 N ATOM 629 CA LYS A 41 18.473 10.578 -5.728 1.00 0.00 C ATOM 630 C LYS A 41 18.123 9.222 -6.340 1.00 0.00 C ATOM 631 O LYS A 41 17.412 8.418 -5.744 1.00 0.00 O ATOM 632 CB LYS A 41 19.992 10.863 -5.609 1.00 0.00 C ATOM 633 CG LYS A 41 20.753 10.198 -4.446 1.00 0.00 C ATOM 634 CD LYS A 41 20.704 8.670 -4.495 1.00 0.00 C ATOM 635 CE LYS A 41 21.494 8.050 -3.340 1.00 0.00 C ATOM 636 NZ LYS A 41 21.209 6.601 -3.220 1.00 0.00 N ATOM 0 H LYS A 41 17.732 9.883 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 41 18.090 11.313 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.466 10.554 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.126 11.941 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.793 10.523 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.331 10.539 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.667 8.336 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.110 8.321 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.561 8.202 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.238 8.553 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.842 6.180 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.221 6.465 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.364 6.139 -4.139 1.00 0.00 H new ATOM 650 N VAL A 42 18.578 8.993 -7.566 1.00 0.00 N ATOM 651 CA VAL A 42 18.303 7.777 -8.321 1.00 0.00 C ATOM 652 C VAL A 42 18.785 6.527 -7.579 1.00 0.00 C ATOM 653 O VAL A 42 19.787 6.547 -6.859 1.00 0.00 O ATOM 654 CB VAL A 42 18.907 7.910 -9.732 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.618 6.673 -10.591 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.287 9.147 -10.394 1.00 0.00 C ATOM 0 H VAL A 42 19.160 9.660 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 42 17.225 7.651 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 42 19.990 8.005 -9.649 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.060 6.805 -11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.048 5.791 -10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.540 6.543 -10.690 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.697 9.267 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.206 9.023 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.517 10.031 -9.800 1.00 0.00 H new ATOM 666 N GLY A 43 18.067 5.426 -7.804 1.00 0.00 N ATOM 667 CA GLY A 43 18.294 4.156 -7.152 1.00 0.00 C ATOM 668 C GLY A 43 17.871 4.232 -5.690 1.00 0.00 C ATOM 669 O GLY A 43 18.500 3.567 -4.866 1.00 0.00 O ATOM 0 H GLY A 43 17.291 5.403 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.732 3.372 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.348 3.887 -7.220 1.00 0.00 H new ATOM 673 N ASP A 44 16.855 5.045 -5.352 1.00 0.00 N ATOM 674 CA ASP A 44 16.423 5.139 -3.935 1.00 0.00 C ATOM 675 C ASP A 44 15.083 4.444 -3.795 1.00 0.00 C ATOM 676 O ASP A 44 14.245 4.572 -4.683 1.00 0.00 O ATOM 677 CB ASP A 44 16.276 6.578 -3.388 1.00 0.00 C ATOM 678 CG ASP A 44 17.561 7.228 -2.851 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.525 6.498 -2.520 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.580 8.468 -2.671 1.00 0.00 O ATOM 0 H ASP A 44 16.332 5.627 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 44 17.214 4.669 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.878 7.209 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.536 6.568 -2.588 1.00 0.00 H new ATOM 685 N LEU A 45 14.836 3.738 -2.688 1.00 0.00 N ATOM 686 CA LEU A 45 13.491 3.246 -2.403 1.00 0.00 C ATOM 687 C LEU A 45 12.704 4.379 -1.737 1.00 0.00 C ATOM 688 O LEU A 45 13.306 5.240 -1.093 1.00 0.00 O ATOM 689 CB LEU A 45 13.558 2.032 -1.462 1.00 0.00 C ATOM 690 CG LEU A 45 12.318 1.118 -1.533 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.290 0.276 -2.817 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.307 0.169 -0.331 1.00 0.00 C ATOM 0 H LEU A 45 15.538 3.499 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 45 13.002 2.935 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.444 1.445 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.679 2.385 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 45 11.441 1.766 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.399 -0.351 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.274 0.936 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.178 -0.355 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.430 -0.475 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.208 -0.444 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.275 0.750 0.591 1.00 0.00 H new ATOM 704 N LEU A 46 11.376 4.344 -1.817 1.00 0.00 N ATOM 705 CA LEU A 46 10.479 5.201 -1.057 1.00 0.00 C ATOM 706 C LEU A 46 9.464 4.293 -0.382 1.00 0.00 C ATOM 707 O LEU A 46 8.580 3.742 -1.043 1.00 0.00 O ATOM 708 CB LEU A 46 9.783 6.246 -1.943 1.00 0.00 C ATOM 709 CG LEU A 46 10.707 7.343 -2.496 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.892 8.313 -3.358 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.410 8.135 -1.392 1.00 0.00 C ATOM 0 H LEU A 46 10.883 3.697 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 46 11.046 5.770 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.309 5.734 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.987 6.718 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 46 11.475 6.845 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.548 9.091 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.438 7.770 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.110 8.770 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.049 8.896 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.665 8.615 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.018 7.459 -0.790 1.00 0.00 H new ATOM 723 N SER A 47 9.602 4.141 0.930 1.00 0.00 N ATOM 724 CA SER A 47 8.727 3.325 1.770 1.00 0.00 C ATOM 725 C SER A 47 7.677 4.242 2.415 1.00 0.00 C ATOM 726 O SER A 47 8.081 5.230 3.025 1.00 0.00 O ATOM 727 CB SER A 47 9.573 2.656 2.862 1.00 0.00 C ATOM 728 OG SER A 47 10.728 2.036 2.315 1.00 0.00 O ATOM 0 H SER A 47 10.348 4.595 1.457 1.00 0.00 H new ATOM 0 HA SER A 47 8.230 2.558 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.873 3.400 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.972 1.912 3.385 1.00 0.00 H new ATOM 0 HG SER A 47 11.248 1.620 3.034 1.00 0.00 H new ATOM 734 N PRO A 48 6.359 4.005 2.287 1.00 0.00 N ATOM 735 CA PRO A 48 5.361 4.917 2.833 1.00 0.00 C ATOM 736 C PRO A 48 5.367 4.926 4.364 1.00 0.00 C ATOM 737 O PRO A 48 5.730 3.941 5.014 1.00 0.00 O ATOM 738 CB PRO A 48 4.010 4.467 2.267 1.00 0.00 C ATOM 739 CG PRO A 48 4.233 3.011 1.863 1.00 0.00 C ATOM 740 CD PRO A 48 5.729 2.917 1.560 1.00 0.00 C ATOM 0 HA PRO A 48 5.579 5.945 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.218 4.556 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.715 5.076 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.948 2.330 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.635 2.746 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.130 1.954 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.916 3.005 0.490 1.00 0.00 H new ATOM 748 N LEU A 49 4.892 6.040 4.925 1.00 0.00 N ATOM 749 CA LEU A 49 4.730 6.262 6.361 1.00 0.00 C ATOM 750 C LEU A 49 3.296 6.685 6.657 1.00 0.00 C ATOM 751 O LEU A 49 2.695 6.187 7.608 1.00 0.00 O ATOM 752 CB LEU A 49 5.686 7.370 6.831 1.00 0.00 C ATOM 753 CG LEU A 49 7.166 6.956 6.887 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.012 8.214 7.104 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.424 5.951 8.019 1.00 0.00 C ATOM 0 H LEU A 49 4.599 6.843 4.368 1.00 0.00 H new ATOM 0 HA LEU A 49 4.958 5.336 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.586 8.225 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.377 7.702 7.822 1.00 0.00 H new ATOM 0 HG LEU A 49 7.435 6.470 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.066 7.941 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.850 8.908 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.723 8.690 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.480 5.679 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.155 6.402 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.821 5.058 7.857 1.00 0.00 H new ATOM 767 N GLN A 50 2.739 7.571 5.828 1.00 0.00 N ATOM 768 CA GLN A 50 1.334 7.942 5.811 1.00 0.00 C ATOM 769 C GLN A 50 1.021 8.433 4.392 1.00 0.00 C ATOM 770 O GLN A 50 1.763 8.135 3.454 1.00 0.00 O ATOM 771 CB GLN A 50 0.971 8.914 6.967 1.00 0.00 C ATOM 772 CG GLN A 50 1.883 10.119 7.266 1.00 0.00 C ATOM 773 CD GLN A 50 1.688 11.339 6.373 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.746 11.251 5.155 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.495 12.515 6.944 1.00 0.00 N ATOM 0 H GLN A 50 3.284 8.067 5.123 1.00 0.00 H new ATOM 0 HA GLN A 50 0.683 7.093 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.027 9.303 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.903 8.323 7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.725 10.422 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.920 9.794 7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.447 12.587 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.394 13.351 6.368 1.00 0.00 H new ATOM 784 N ASN A 51 -0.097 9.141 4.234 1.00 0.00 N ATOM 785 CA ASN A 51 -0.673 9.548 2.960 1.00 0.00 C ATOM 786 C ASN A 51 0.309 10.145 1.947 1.00 0.00 C ATOM 787 O ASN A 51 0.181 9.882 0.750 1.00 0.00 O ATOM 788 CB ASN A 51 -1.781 10.567 3.257 1.00 0.00 C ATOM 789 CG ASN A 51 -2.390 11.118 1.969 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.221 10.472 1.336 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.991 12.308 1.546 1.00 0.00 N ATOM 0 H ASN A 51 -0.649 9.460 5.030 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.042 8.640 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.560 10.096 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.374 11.387 3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.375 12.698 0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.300 12.834 2.081 1.00 0.00 H new ATOM 798 N ALA A 52 1.263 10.954 2.409 1.00 0.00 N ATOM 799 CA ALA A 52 2.185 11.713 1.604 1.00 0.00 C ATOM 800 C ALA A 52 3.631 11.504 2.052 1.00 0.00 C ATOM 801 O ALA A 52 4.521 11.663 1.224 1.00 0.00 O ATOM 802 CB ALA A 52 1.816 13.197 1.701 1.00 0.00 C ATOM 0 H ALA A 52 1.410 11.096 3.408 1.00 0.00 H new ATOM 0 HA ALA A 52 2.111 11.370 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.507 13.784 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.799 13.344 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.879 13.520 2.740 1.00 0.00 H new ATOM 808 N LEU A 53 3.898 11.196 3.326 1.00 0.00 N ATOM 809 CA LEU A 53 5.260 10.978 3.797 1.00 0.00 C ATOM 810 C LEU A 53 5.728 9.597 3.362 1.00 0.00 C ATOM 811 O LEU A 53 5.025 8.602 3.562 1.00 0.00 O ATOM 812 CB LEU A 53 5.402 11.102 5.325 1.00 0.00 C ATOM 813 CG LEU A 53 5.457 12.551 5.843 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.273 12.567 7.364 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.804 13.216 5.523 1.00 0.00 C ATOM 0 H LEU A 53 3.184 11.093 4.047 1.00 0.00 H new ATOM 0 HA LEU A 53 5.877 11.760 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.563 10.591 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.308 10.583 5.637 1.00 0.00 H new ATOM 0 HG LEU A 53 4.658 13.102 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.313 13.595 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.307 12.130 7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.068 11.987 7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.805 14.237 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.609 12.652 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.955 13.231 4.444 1.00 0.00 H new ATOM 827 N TYR A 54 6.961 9.548 2.874 1.00 0.00 N ATOM 828 CA TYR A 54 7.712 8.346 2.580 1.00 0.00 C ATOM 829 C TYR A 54 9.096 8.510 3.207 1.00 0.00 C ATOM 830 O TYR A 54 9.596 9.631 3.339 1.00 0.00 O ATOM 831 CB TYR A 54 7.845 8.158 1.059 1.00 0.00 C ATOM 832 CG TYR A 54 6.583 7.706 0.340 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.546 8.616 0.061 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.447 6.365 -0.062 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.369 8.185 -0.579 1.00 0.00 C ATOM 836 CE2 TYR A 54 5.280 5.923 -0.703 1.00 0.00 C ATOM 837 CZ TYR A 54 4.232 6.831 -0.964 1.00 0.00 C ATOM 838 OH TYR A 54 3.109 6.379 -1.591 1.00 0.00 O ATOM 0 H TYR A 54 7.488 10.395 2.663 1.00 0.00 H new ATOM 0 HA TYR A 54 7.204 7.470 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.173 9.101 0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.632 7.428 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.654 9.654 0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.250 5.668 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.572 8.887 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.184 4.888 -0.997 1.00 0.00 H new ATOM 0 HH TYR A 54 2.716 7.104 -2.120 1.00 0.00 H new ATOM 848 N CYS A 55 9.721 7.404 3.594 1.00 0.00 N ATOM 849 CA CYS A 55 11.120 7.390 3.975 1.00 0.00 C ATOM 850 C CYS A 55 11.951 7.497 2.702 1.00 0.00 C ATOM 851 O CYS A 55 11.608 6.862 1.704 1.00 0.00 O ATOM 852 CB CYS A 55 11.500 6.072 4.651 1.00 0.00 C ATOM 853 SG CYS A 55 10.285 5.543 5.880 1.00 0.00 S ATOM 0 H CYS A 55 9.267 6.492 3.651 1.00 0.00 H new ATOM 0 HA CYS A 55 11.300 8.214 4.666 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.605 5.296 3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.472 6.182 5.131 1.00 0.00 H new ATOM 0 HG CYS A 55 10.273 4.245 5.947 1.00 0.00 H new ATOM 859 N ILE A 56 13.068 8.217 2.745 1.00 0.00 N ATOM 860 CA ILE A 56 14.048 8.191 1.665 1.00 0.00 C ATOM 861 C ILE A 56 14.840 6.895 1.817 1.00 0.00 C ATOM 862 O ILE A 56 15.105 6.442 2.936 1.00 0.00 O ATOM 863 CB ILE A 56 14.971 9.435 1.721 1.00 0.00 C ATOM 864 CG1 ILE A 56 14.127 10.713 1.498 1.00 0.00 C ATOM 865 CG2 ILE A 56 16.113 9.356 0.677 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.847 12.017 1.860 1.00 0.00 C ATOM 0 H ILE A 56 13.318 8.829 3.522 1.00 0.00 H new ATOM 0 HA ILE A 56 13.557 8.223 0.692 1.00 0.00 H new ATOM 0 HB ILE A 56 15.437 9.467 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.825 10.757 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.215 10.639 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.736 10.248 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.721 8.472 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.687 9.293 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.185 12.862 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.124 11.999 2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.745 12.118 1.250 1.00 0.00 H new ATOM 878 N ASN A 57 15.258 6.338 0.681 1.00 0.00 N ATOM 879 CA ASN A 57 16.219 5.250 0.495 1.00 0.00 C ATOM 880 C ASN A 57 15.746 3.870 0.932 1.00 0.00 C ATOM 881 O ASN A 57 16.034 2.916 0.207 1.00 0.00 O ATOM 882 CB ASN A 57 17.560 5.604 1.157 1.00 0.00 C ATOM 883 CG ASN A 57 18.649 4.632 0.750 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.006 3.718 1.485 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.193 4.837 -0.432 1.00 0.00 N ATOM 0 H ASN A 57 14.900 6.667 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 57 16.340 5.164 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.850 6.617 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.447 5.593 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 57 19.938 4.224 -0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.869 5.608 -1.016 1.00 0.00 H new ATOM 892 N ARG A 58 15.046 3.805 2.071 1.00 0.00 N ATOM 893 CA ARG A 58 14.495 2.685 2.855 1.00 0.00 C ATOM 894 C ARG A 58 14.746 2.889 4.361 1.00 0.00 C ATOM 895 O ARG A 58 14.606 1.942 5.137 1.00 0.00 O ATOM 896 CB ARG A 58 14.911 1.282 2.367 1.00 0.00 C ATOM 897 CG ARG A 58 16.404 0.948 2.533 1.00 0.00 C ATOM 898 CD ARG A 58 16.762 -0.249 1.643 1.00 0.00 C ATOM 899 NE ARG A 58 18.209 -0.339 1.386 1.00 0.00 N ATOM 900 CZ ARG A 58 18.860 0.275 0.386 1.00 0.00 C ATOM 901 NH1 ARG A 58 18.246 1.174 -0.384 1.00 0.00 N ATOM 902 NH2 ARG A 58 20.134 -0.027 0.154 1.00 0.00 N ATOM 0 H ARG A 58 14.815 4.681 2.541 1.00 0.00 H new ATOM 0 HA ARG A 58 13.419 2.708 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.326 0.538 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.649 1.189 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.013 1.811 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.622 0.718 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.422 -1.168 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.231 -0.166 0.695 1.00 0.00 H new ATOM 0 HE ARG A 58 18.762 -0.915 2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.266 1.404 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 58 18.756 1.631 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.608 -0.720 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 58 20.638 0.434 -0.604 1.00 0.00 H new ATOM 916 N GLU A 59 15.153 4.093 4.788 1.00 0.00 N ATOM 917 CA GLU A 59 15.390 4.434 6.188 1.00 0.00 C ATOM 918 C GLU A 59 14.039 4.581 6.905 1.00 0.00 C ATOM 919 O GLU A 59 13.004 4.129 6.409 1.00 0.00 O ATOM 920 CB GLU A 59 16.192 5.756 6.249 1.00 0.00 C ATOM 921 CG GLU A 59 17.572 5.715 5.584 1.00 0.00 C ATOM 922 CD GLU A 59 18.514 4.685 6.237 1.00 0.00 C ATOM 923 OE1 GLU A 59 19.109 4.986 7.296 1.00 0.00 O ATOM 924 OE2 GLU A 59 18.677 3.569 5.694 1.00 0.00 O ATOM 0 H GLU A 59 15.329 4.870 4.151 1.00 0.00 H new ATOM 0 HA GLU A 59 15.963 3.650 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.602 6.542 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.319 6.037 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.455 5.476 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.027 6.704 5.639 1.00 0.00 H new ATOM 931 N LYS A 60 14.036 5.220 8.077 1.00 0.00 N ATOM 932 CA LYS A 60 12.838 5.684 8.765 1.00 0.00 C ATOM 933 C LYS A 60 12.976 7.159 9.150 1.00 0.00 C ATOM 934 O LYS A 60 11.993 7.895 9.084 1.00 0.00 O ATOM 935 CB LYS A 60 12.529 4.816 10.003 1.00 0.00 C ATOM 936 CG LYS A 60 12.396 3.311 9.717 1.00 0.00 C ATOM 937 CD LYS A 60 11.173 2.969 8.847 1.00 0.00 C ATOM 938 CE LYS A 60 11.285 1.581 8.202 1.00 0.00 C ATOM 939 NZ LYS A 60 12.364 1.495 7.186 1.00 0.00 N ATOM 0 H LYS A 60 14.894 5.433 8.585 1.00 0.00 H new ATOM 0 HA LYS A 60 11.997 5.586 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.319 4.963 10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.602 5.169 10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.299 2.961 9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.325 2.772 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.272 3.011 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.064 3.722 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.467 0.839 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.334 1.326 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.088 0.822 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.519 2.433 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.242 1.170 7.639 1.00 0.00 H new ATOM 953 N LEU A 61 14.186 7.604 9.521 1.00 0.00 N ATOM 954 CA LEU A 61 14.429 8.973 9.963 1.00 0.00 C ATOM 955 C LEU A 61 14.516 9.973 8.807 1.00 0.00 C ATOM 956 O LEU A 61 14.139 11.130 8.989 1.00 0.00 O ATOM 957 CB LEU A 61 15.649 9.080 10.897 1.00 0.00 C ATOM 958 CG LEU A 61 17.014 8.709 10.286 1.00 0.00 C ATOM 959 CD1 LEU A 61 18.127 9.583 10.875 1.00 0.00 C ATOM 960 CD2 LEU A 61 17.379 7.235 10.509 1.00 0.00 C ATOM 0 H LEU A 61 15.021 7.018 9.521 1.00 0.00 H new ATOM 0 HA LEU A 61 13.550 9.251 10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.707 10.104 11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.475 8.438 11.761 1.00 0.00 H new ATOM 0 HG LEU A 61 16.924 8.882 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.082 9.305 10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.919 10.631 10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.173 9.436 11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.350 7.028 10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.424 7.029 11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.623 6.599 10.049 1.00 0.00 H new ATOM 972 N HIS A 62 15.011 9.564 7.634 1.00 0.00 N ATOM 973 CA HIS A 62 15.085 10.446 6.472 1.00 0.00 C ATOM 974 C HIS A 62 13.736 10.390 5.760 1.00 0.00 C ATOM 975 O HIS A 62 13.328 9.301 5.357 1.00 0.00 O ATOM 976 CB HIS A 62 16.211 10.007 5.519 1.00 0.00 C ATOM 977 CG HIS A 62 17.616 10.031 6.078 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.733 9.526 5.449 1.00 0.00 N ATOM 979 CD2 HIS A 62 18.041 10.559 7.270 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.795 9.731 6.245 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.424 10.360 7.375 1.00 0.00 N ATOM 0 H HIS A 62 15.367 8.623 7.467 1.00 0.00 H new ATOM 0 HA HIS A 62 15.308 11.464 6.791 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.996 8.993 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.183 10.650 4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.416 11.046 8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.806 9.433 6.011 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.027 10.636 8.150 1.00 0.00 H new ATOM 989 N THR A 63 13.054 11.521 5.575 1.00 0.00 N ATOM 990 CA THR A 63 11.697 11.560 5.046 1.00 0.00 C ATOM 991 C THR A 63 11.565 12.567 3.898 1.00 0.00 C ATOM 992 O THR A 63 12.366 13.497 3.739 1.00 0.00 O ATOM 993 CB THR A 63 10.725 11.871 6.199 1.00 0.00 C ATOM 994 OG1 THR A 63 11.149 13.027 6.903 1.00 0.00 O ATOM 995 CG2 THR A 63 10.667 10.708 7.191 1.00 0.00 C ATOM 0 H THR A 63 13.435 12.442 5.791 1.00 0.00 H new ATOM 0 HA THR A 63 11.447 10.588 4.622 1.00 0.00 H new ATOM 0 HB THR A 63 9.740 12.034 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.522 13.215 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.974 10.951 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.326 9.809 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.660 10.534 7.606 1.00 0.00 H new ATOM 1003 N VAL A 64 10.525 12.368 3.093 1.00 0.00 N ATOM 1004 CA VAL A 64 10.153 13.171 1.947 1.00 0.00 C ATOM 1005 C VAL A 64 8.625 13.119 1.870 1.00 0.00 C ATOM 1006 O VAL A 64 8.032 12.104 2.240 1.00 0.00 O ATOM 1007 CB VAL A 64 10.890 12.615 0.705 1.00 0.00 C ATOM 1008 CG1 VAL A 64 10.666 11.119 0.442 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.538 13.365 -0.575 1.00 0.00 C ATOM 0 H VAL A 64 9.882 11.589 3.239 1.00 0.00 H new ATOM 0 HA VAL A 64 10.446 14.219 2.015 1.00 0.00 H new ATOM 0 HB VAL A 64 11.939 12.766 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.221 10.819 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.015 10.543 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.603 10.932 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.084 12.931 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.467 13.286 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.811 14.415 -0.468 1.00 0.00 H new ATOM 1019 N LYS A 65 7.971 14.197 1.437 1.00 0.00 N ATOM 1020 CA LYS A 65 6.519 14.343 1.487 1.00 0.00 C ATOM 1021 C LYS A 65 6.018 14.676 0.093 1.00 0.00 C ATOM 1022 O LYS A 65 6.508 15.622 -0.521 1.00 0.00 O ATOM 1023 CB LYS A 65 6.145 15.441 2.493 1.00 0.00 C ATOM 1024 CG LYS A 65 4.638 15.454 2.789 1.00 0.00 C ATOM 1025 CD LYS A 65 4.290 16.540 3.813 1.00 0.00 C ATOM 1026 CE LYS A 65 2.776 16.567 4.065 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.386 17.628 5.029 1.00 0.00 N ATOM 0 H LYS A 65 8.445 15.006 1.035 1.00 0.00 H new ATOM 0 HA LYS A 65 6.051 13.416 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.696 15.287 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.447 16.412 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.084 15.628 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.329 14.480 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.818 16.351 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.623 17.512 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.255 16.727 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.455 15.597 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.356 17.609 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.862 17.462 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.667 18.557 4.655 1.00 0.00 H new ATOM 1041 N VAL A 66 5.062 13.899 -0.399 1.00 0.00 N ATOM 1042 CA VAL A 66 4.431 14.097 -1.697 1.00 0.00 C ATOM 1043 C VAL A 66 3.636 15.405 -1.675 1.00 0.00 C ATOM 1044 O VAL A 66 3.001 15.734 -0.671 1.00 0.00 O ATOM 1045 CB VAL A 66 3.575 12.856 -2.041 1.00 0.00 C ATOM 1046 CG1 VAL A 66 2.752 13.037 -3.327 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.478 11.626 -2.243 1.00 0.00 C ATOM 0 H VAL A 66 4.695 13.093 0.107 1.00 0.00 H new ATOM 0 HA VAL A 66 5.173 14.194 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 66 2.893 12.720 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.172 12.134 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.077 13.885 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.423 13.221 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.863 10.759 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.174 11.816 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.037 11.431 -1.328 1.00 0.00 H new ATOM 1057 N LEU A 67 3.651 16.130 -2.799 1.00 0.00 N ATOM 1058 CA LEU A 67 2.937 17.392 -2.977 1.00 0.00 C ATOM 1059 C LEU A 67 1.937 17.269 -4.128 1.00 0.00 C ATOM 1060 O LEU A 67 0.829 17.796 -4.024 1.00 0.00 O ATOM 1061 CB LEU A 67 3.933 18.531 -3.257 1.00 0.00 C ATOM 1062 CG LEU A 67 5.007 18.737 -2.170 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.021 19.771 -2.656 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.432 19.182 -0.821 1.00 0.00 C ATOM 0 H LEU A 67 4.173 15.846 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 67 2.393 17.622 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.431 18.333 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.376 19.460 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 67 5.481 17.769 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.783 19.921 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.492 19.416 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.513 20.715 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.243 19.308 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.906 20.129 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.737 18.426 -0.454 1.00 0.00 H new ATOM 1076 N SER A 68 2.290 16.563 -5.207 1.00 0.00 N ATOM 1077 CA SER A 68 1.416 16.184 -6.321 1.00 0.00 C ATOM 1078 C SER A 68 2.127 15.078 -7.108 1.00 0.00 C ATOM 1079 O SER A 68 3.357 15.002 -7.061 1.00 0.00 O ATOM 1080 CB SER A 68 1.176 17.392 -7.243 1.00 0.00 C ATOM 1081 OG SER A 68 0.369 18.374 -6.616 1.00 0.00 O ATOM 0 H SER A 68 3.243 16.223 -5.333 1.00 0.00 H new ATOM 0 HA SER A 68 0.452 15.841 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.133 17.832 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.696 17.059 -8.163 1.00 0.00 H new ATOM 0 HG SER A 68 0.244 18.141 -5.672 1.00 0.00 H new ATOM 1087 N ALA A 69 1.393 14.243 -7.850 1.00 0.00 N ATOM 1088 CA ALA A 69 1.978 13.241 -8.738 1.00 0.00 C ATOM 1089 C ALA A 69 1.010 12.876 -9.867 1.00 0.00 C ATOM 1090 O ALA A 69 -0.208 13.009 -9.706 1.00 0.00 O ATOM 1091 CB ALA A 69 2.349 11.986 -7.936 1.00 0.00 C ATOM 0 H ALA A 69 0.373 14.245 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 69 2.878 13.662 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.785 11.243 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.072 12.248 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.454 11.574 -7.470 1.00 0.00 H new ATOM 1097 N SER A 70 1.563 12.375 -10.974 1.00 0.00 N ATOM 1098 CA SER A 70 0.845 11.988 -12.189 1.00 0.00 C ATOM 1099 C SER A 70 1.611 10.863 -12.899 1.00 0.00 C ATOM 1100 O SER A 70 2.822 10.731 -12.715 1.00 0.00 O ATOM 1101 CB SER A 70 0.747 13.195 -13.141 1.00 0.00 C ATOM 1102 OG SER A 70 0.143 14.325 -12.525 1.00 0.00 O ATOM 0 H SER A 70 2.568 12.221 -11.051 1.00 0.00 H new ATOM 0 HA SER A 70 -0.155 11.648 -11.919 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.745 13.464 -13.486 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.170 12.913 -14.022 1.00 0.00 H new ATOM 0 HG SER A 70 0.104 15.065 -13.166 1.00 0.00 H new ATOM 1108 N SER A 71 0.933 10.075 -13.737 1.00 0.00 N ATOM 1109 CA SER A 71 1.556 9.076 -14.607 1.00 0.00 C ATOM 1110 C SER A 71 2.665 9.706 -15.471 1.00 0.00 C ATOM 1111 O SER A 71 2.580 10.881 -15.839 1.00 0.00 O ATOM 1112 CB SER A 71 0.473 8.436 -15.485 1.00 0.00 C ATOM 1113 OG SER A 71 -0.642 8.036 -14.698 1.00 0.00 O ATOM 0 H SER A 71 -0.082 10.114 -13.831 1.00 0.00 H new ATOM 0 HA SER A 71 2.025 8.308 -13.993 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.150 9.145 -16.248 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.885 7.572 -16.007 1.00 0.00 H new ATOM 0 HG SER A 71 -1.322 7.632 -15.276 1.00 0.00 H new ATOM 1119 N TYR A 72 3.712 8.934 -15.785 1.00 0.00 N ATOM 1120 CA TYR A 72 4.877 9.454 -16.493 1.00 0.00 C ATOM 1121 C TYR A 72 4.529 9.843 -17.933 1.00 0.00 C ATOM 1122 O TYR A 72 3.840 9.094 -18.634 1.00 0.00 O ATOM 1123 CB TYR A 72 6.020 8.424 -16.479 1.00 0.00 C ATOM 1124 CG TYR A 72 7.165 8.755 -17.423 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.073 9.785 -17.109 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.293 8.067 -18.645 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.102 10.122 -18.004 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.326 8.392 -19.543 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.242 9.420 -19.221 1.00 0.00 C ATOM 1130 OH TYR A 72 10.265 9.734 -20.063 1.00 0.00 O ATOM 0 H TYR A 72 3.771 7.942 -15.556 1.00 0.00 H new ATOM 0 HA TYR A 72 5.207 10.354 -15.973 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.411 8.345 -15.465 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.617 7.446 -16.743 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.978 10.319 -16.175 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.593 7.284 -18.895 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.788 10.920 -17.761 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.419 7.857 -20.477 1.00 0.00 H new ATOM 0 HH TYR A 72 10.224 9.160 -20.856 1.00 0.00 H new ATOM 1140 N SER A 73 5.087 10.973 -18.370 1.00 0.00 N ATOM 1141 CA SER A 73 5.123 11.443 -19.746 1.00 0.00 C ATOM 1142 C SER A 73 6.435 12.230 -19.893 1.00 0.00 C ATOM 1143 O SER A 73 6.774 12.976 -18.971 1.00 0.00 O ATOM 1144 CB SER A 73 3.919 12.350 -20.038 1.00 0.00 C ATOM 1145 OG SER A 73 2.685 11.666 -19.895 1.00 0.00 O ATOM 0 H SER A 73 5.552 11.619 -17.732 1.00 0.00 H new ATOM 0 HA SER A 73 5.075 10.612 -20.450 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.939 13.205 -19.363 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.999 12.742 -21.052 1.00 0.00 H new ATOM 0 HG SER A 73 1.946 12.280 -20.088 1.00 0.00 H new ATOM 1151 N PRO A 74 7.181 12.100 -21.005 1.00 0.00 N ATOM 1152 CA PRO A 74 8.531 12.652 -21.109 1.00 0.00 C ATOM 1153 C PRO A 74 8.546 14.180 -21.026 1.00 0.00 C ATOM 1154 O PRO A 74 9.318 14.757 -20.261 1.00 0.00 O ATOM 1155 CB PRO A 74 9.086 12.155 -22.449 1.00 0.00 C ATOM 1156 CG PRO A 74 7.859 11.708 -23.245 1.00 0.00 C ATOM 1157 CD PRO A 74 6.861 11.292 -22.170 1.00 0.00 C ATOM 0 HA PRO A 74 9.147 12.321 -20.273 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.627 12.945 -22.969 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.785 11.331 -22.305 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.467 12.515 -23.864 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.095 10.880 -23.913 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.836 11.466 -22.498 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.947 10.229 -21.945 1.00 0.00 H new ATOM 1165 N ASP A 75 7.678 14.841 -21.794 1.00 0.00 N ATOM 1166 CA ASP A 75 7.592 16.299 -21.807 1.00 0.00 C ATOM 1167 C ASP A 75 7.159 16.835 -20.441 1.00 0.00 C ATOM 1168 O ASP A 75 7.688 17.838 -19.964 1.00 0.00 O ATOM 1169 CB ASP A 75 6.607 16.746 -22.892 1.00 0.00 C ATOM 1170 CG ASP A 75 6.429 18.272 -22.893 1.00 0.00 C ATOM 1171 OD1 ASP A 75 7.379 18.996 -23.267 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.313 18.742 -22.581 1.00 0.00 O ATOM 0 H ASP A 75 7.018 14.381 -22.421 1.00 0.00 H new ATOM 0 HA ASP A 75 8.579 16.705 -22.027 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.966 16.419 -23.868 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.642 16.266 -22.730 1.00 0.00 H new ATOM 1177 N GLU A 76 6.230 16.136 -19.779 1.00 0.00 N ATOM 1178 CA GLU A 76 5.720 16.532 -18.474 1.00 0.00 C ATOM 1179 C GLU A 76 6.784 16.331 -17.386 1.00 0.00 C ATOM 1180 O GLU A 76 6.835 17.104 -16.428 1.00 0.00 O ATOM 1181 CB GLU A 76 4.438 15.743 -18.157 1.00 0.00 C ATOM 1182 CG GLU A 76 3.500 16.493 -17.200 1.00 0.00 C ATOM 1183 CD GLU A 76 2.667 17.569 -17.922 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.211 18.644 -18.258 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.454 17.350 -18.149 1.00 0.00 O ATOM 0 H GLU A 76 5.813 15.278 -20.140 1.00 0.00 H new ATOM 0 HA GLU A 76 5.476 17.594 -18.496 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.908 15.531 -19.086 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.707 14.783 -17.717 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.830 15.780 -16.719 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.088 16.961 -16.411 1.00 0.00 H new ATOM 1192 N TRP A 77 7.644 15.319 -17.524 1.00 0.00 N ATOM 1193 CA TRP A 77 8.800 15.121 -16.664 1.00 0.00 C ATOM 1194 C TRP A 77 9.747 16.309 -16.829 1.00 0.00 C ATOM 1195 O TRP A 77 10.072 16.960 -15.837 1.00 0.00 O ATOM 1196 CB TRP A 77 9.466 13.770 -16.998 1.00 0.00 C ATOM 1197 CG TRP A 77 10.916 13.634 -16.656 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.465 13.890 -15.451 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.033 13.281 -17.532 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.833 13.733 -15.515 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.246 13.402 -16.788 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.150 12.907 -18.888 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.507 13.206 -17.373 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.409 12.684 -19.479 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.586 12.840 -18.727 1.00 0.00 C ATOM 0 H TRP A 77 7.550 14.607 -18.248 1.00 0.00 H new ATOM 0 HA TRP A 77 8.506 15.078 -15.615 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.919 12.983 -16.479 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.350 13.588 -18.066 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.914 14.176 -14.567 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.461 13.847 -14.720 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.257 12.790 -19.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.406 13.335 -16.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.470 12.391 -20.517 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.549 12.679 -19.189 1.00 0.00 H new ATOM 1216 N GLU A 78 10.147 16.636 -18.061 1.00 0.00 N ATOM 1217 CA GLU A 78 11.149 17.674 -18.291 1.00 0.00 C ATOM 1218 C GLU A 78 10.656 19.056 -17.868 1.00 0.00 C ATOM 1219 O GLU A 78 11.428 19.846 -17.319 1.00 0.00 O ATOM 1220 CB GLU A 78 11.633 17.661 -19.747 1.00 0.00 C ATOM 1221 CG GLU A 78 12.473 16.410 -20.045 1.00 0.00 C ATOM 1222 CD GLU A 78 13.096 16.467 -21.451 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.434 16.086 -22.443 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.268 16.890 -21.582 1.00 0.00 O ATOM 0 H GLU A 78 9.792 16.197 -18.911 1.00 0.00 H new ATOM 0 HA GLU A 78 12.005 17.444 -17.656 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.775 17.694 -20.418 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.225 18.555 -19.944 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.263 16.316 -19.300 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.847 15.522 -19.960 1.00 0.00 H new ATOM 1231 N ARG A 79 9.364 19.335 -18.044 1.00 0.00 N ATOM 1232 CA ARG A 79 8.722 20.514 -17.477 1.00 0.00 C ATOM 1233 C ARG A 79 8.953 20.561 -15.971 1.00 0.00 C ATOM 1234 O ARG A 79 9.439 21.564 -15.451 1.00 0.00 O ATOM 1235 CB ARG A 79 7.221 20.435 -17.767 1.00 0.00 C ATOM 1236 CG ARG A 79 6.826 20.991 -19.141 1.00 0.00 C ATOM 1237 CD ARG A 79 5.351 20.661 -19.385 1.00 0.00 C ATOM 1238 NE ARG A 79 4.802 21.338 -20.568 1.00 0.00 N ATOM 1239 CZ ARG A 79 3.557 21.158 -21.028 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.717 20.328 -20.411 1.00 0.00 N ATOM 1241 NH2 ARG A 79 3.147 21.829 -22.101 1.00 0.00 N ATOM 0 H ARG A 79 8.733 18.745 -18.587 1.00 0.00 H new ATOM 0 HA ARG A 79 9.144 21.415 -17.922 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.902 19.395 -17.701 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.682 20.984 -16.995 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.985 22.069 -19.175 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.448 20.552 -19.922 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.240 19.583 -19.505 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.770 20.945 -18.508 1.00 0.00 H new ATOM 0 HE ARG A 79 5.408 21.986 -21.071 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.020 19.822 -19.579 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.771 20.199 -20.771 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.780 22.477 -22.570 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.200 21.695 -22.455 1.00 0.00 H new ATOM 1255 N GLN A 80 8.622 19.484 -15.258 1.00 0.00 N ATOM 1256 CA GLN A 80 8.716 19.465 -13.808 1.00 0.00 C ATOM 1257 C GLN A 80 10.175 19.563 -13.334 1.00 0.00 C ATOM 1258 O GLN A 80 10.409 20.131 -12.268 1.00 0.00 O ATOM 1259 CB GLN A 80 7.962 18.254 -13.237 1.00 0.00 C ATOM 1260 CG GLN A 80 6.444 18.400 -13.427 1.00 0.00 C ATOM 1261 CD GLN A 80 5.674 17.131 -13.075 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.327 16.884 -11.924 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.376 16.313 -14.072 1.00 0.00 N ATOM 0 H GLN A 80 8.286 18.613 -15.668 1.00 0.00 H new ATOM 0 HA GLN A 80 8.224 20.353 -13.411 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.306 17.344 -13.729 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.189 18.149 -12.176 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.083 19.221 -12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.237 18.668 -14.463 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.674 16.537 -15.022 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.849 15.459 -13.891 1.00 0.00 H new ATOM 1272 N CYS A 81 11.170 19.136 -14.122 1.00 0.00 N ATOM 1273 CA CYS A 81 12.574 19.397 -13.802 1.00 0.00 C ATOM 1274 C CYS A 81 12.849 20.903 -13.713 1.00 0.00 C ATOM 1275 O CYS A 81 13.548 21.348 -12.802 1.00 0.00 O ATOM 1276 CB CYS A 81 13.515 18.795 -14.856 1.00 0.00 C ATOM 1277 SG CYS A 81 13.269 17.013 -15.042 1.00 0.00 S ATOM 0 H CYS A 81 11.026 18.609 -14.984 1.00 0.00 H new ATOM 0 HA CYS A 81 12.765 18.928 -12.837 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.348 19.286 -15.815 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.549 18.991 -14.573 1.00 0.00 H new ATOM 0 HG CYS A 81 12.032 16.777 -15.363 1.00 0.00 H new ATOM 1283 N LYS A 82 12.295 21.702 -14.635 1.00 0.00 N ATOM 1284 CA LYS A 82 12.455 23.145 -14.613 1.00 0.00 C ATOM 1285 C LYS A 82 11.745 23.702 -13.394 1.00 0.00 C ATOM 1286 O LYS A 82 12.306 24.571 -12.736 1.00 0.00 O ATOM 1287 CB LYS A 82 11.935 23.801 -15.902 1.00 0.00 C ATOM 1288 CG LYS A 82 12.761 23.393 -17.131 1.00 0.00 C ATOM 1289 CD LYS A 82 12.216 24.050 -18.404 1.00 0.00 C ATOM 1290 CE LYS A 82 13.108 23.674 -19.595 1.00 0.00 C ATOM 1291 NZ LYS A 82 12.632 24.272 -20.868 1.00 0.00 N ATOM 0 H LYS A 82 11.727 21.359 -15.410 1.00 0.00 H new ATOM 0 HA LYS A 82 13.518 23.377 -14.555 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.893 23.520 -16.056 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.960 24.885 -15.792 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.802 23.682 -16.986 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.744 22.309 -17.241 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.192 23.723 -18.585 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.188 25.133 -18.284 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.128 24.005 -19.400 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.138 22.589 -19.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.266 23.990 -21.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.668 23.937 -21.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.628 25.309 -20.784 1.00 0.00 H new ATOM 1305 N VAL A 83 10.568 23.177 -13.044 1.00 0.00 N ATOM 1306 CA VAL A 83 9.862 23.612 -11.846 1.00 0.00 C ATOM 1307 C VAL A 83 10.735 23.377 -10.604 1.00 0.00 C ATOM 1308 O VAL A 83 10.884 24.294 -9.795 1.00 0.00 O ATOM 1309 CB VAL A 83 8.467 22.954 -11.751 1.00 0.00 C ATOM 1310 CG1 VAL A 83 7.709 23.388 -10.489 1.00 0.00 C ATOM 1311 CG2 VAL A 83 7.592 23.318 -12.964 1.00 0.00 C ATOM 0 H VAL A 83 10.088 22.451 -13.576 1.00 0.00 H new ATOM 0 HA VAL A 83 9.678 24.685 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 83 8.648 21.880 -11.720 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.734 22.901 -10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.280 23.102 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.574 24.470 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.618 22.839 -12.866 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.462 24.399 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.076 22.973 -13.878 1.00 0.00 H new ATOM 1321 N ALA A 84 11.373 22.205 -10.480 1.00 0.00 N ATOM 1322 CA ALA A 84 12.268 21.899 -9.365 1.00 0.00 C ATOM 1323 C ALA A 84 13.412 22.915 -9.293 1.00 0.00 C ATOM 1324 O ALA A 84 13.706 23.449 -8.226 1.00 0.00 O ATOM 1325 CB ALA A 84 12.836 20.481 -9.506 1.00 0.00 C ATOM 0 H ALA A 84 11.280 21.444 -11.153 1.00 0.00 H new ATOM 0 HA ALA A 84 11.691 21.958 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.500 20.270 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 84 12.018 19.760 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.394 20.404 -10.439 1.00 0.00 H new ATOM 1331 N GLY A 85 14.025 23.217 -10.441 1.00 0.00 N ATOM 1332 CA GLY A 85 15.122 24.170 -10.547 1.00 0.00 C ATOM 1333 C GLY A 85 14.661 25.628 -10.590 1.00 0.00 C ATOM 1334 O GLY A 85 15.497 26.501 -10.815 1.00 0.00 O ATOM 0 H GLY A 85 13.766 22.797 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.794 24.034 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.697 23.952 -11.447 1.00 0.00 H new ATOM 1338 N LYS A 86 13.363 25.916 -10.413 1.00 0.00 N ATOM 1339 CA LYS A 86 12.746 27.243 -10.558 1.00 0.00 C ATOM 1340 C LYS A 86 13.156 27.947 -11.864 1.00 0.00 C ATOM 1341 O LYS A 86 13.255 29.173 -11.913 1.00 0.00 O ATOM 1342 CB LYS A 86 12.989 28.081 -9.284 1.00 0.00 C ATOM 1343 CG LYS A 86 12.448 27.422 -8.001 1.00 0.00 C ATOM 1344 CD LYS A 86 10.916 27.442 -7.868 1.00 0.00 C ATOM 1345 CE LYS A 86 10.443 28.796 -7.313 1.00 0.00 C ATOM 1346 NZ LYS A 86 9.048 28.744 -6.813 1.00 0.00 N ATOM 0 H LYS A 86 12.685 25.199 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 86 11.667 27.118 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.059 28.253 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.520 29.058 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.789 26.387 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.881 27.928 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.458 27.260 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.592 26.638 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.105 29.106 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.518 29.552 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.774 29.679 -6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.411 28.475 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.979 28.042 -6.049 1.00 0.00 H new ATOM 1360 N THR A 87 13.379 27.164 -12.926 1.00 0.00 N ATOM 1361 CA THR A 87 13.832 27.597 -14.247 1.00 0.00 C ATOM 1362 C THR A 87 15.075 28.508 -14.144 1.00 0.00 C ATOM 1363 O THR A 87 15.228 29.472 -14.899 1.00 0.00 O ATOM 1364 CB THR A 87 12.637 28.175 -15.044 1.00 0.00 C ATOM 1365 OG1 THR A 87 11.451 27.431 -14.799 1.00 0.00 O ATOM 1366 CG2 THR A 87 12.856 28.121 -16.562 1.00 0.00 C ATOM 0 H THR A 87 13.239 26.155 -12.881 1.00 0.00 H new ATOM 0 HA THR A 87 14.185 26.745 -14.828 1.00 0.00 H new ATOM 0 HB THR A 87 12.548 29.208 -14.709 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.711 27.817 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.987 28.539 -17.070 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.742 28.700 -16.823 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.995 27.086 -16.873 1.00 0.00 H new ATOM 1374 N GLN A 88 15.953 28.231 -13.171 1.00 0.00 N ATOM 1375 CA GLN A 88 17.198 28.961 -12.978 1.00 0.00 C ATOM 1376 C GLN A 88 18.085 28.772 -14.209 1.00 0.00 C ATOM 1377 O GLN A 88 18.608 29.777 -14.732 1.00 0.00 O ATOM 1378 CB GLN A 88 17.879 28.497 -11.678 1.00 0.00 C ATOM 1379 CG GLN A 88 19.137 29.312 -11.337 1.00 0.00 C ATOM 1380 CD GLN A 88 19.728 28.948 -9.969 1.00 0.00 C ATOM 1381 OE1 GLN A 88 19.580 27.833 -9.470 1.00 0.00 O ATOM 1382 NE2 GLN A 88 20.408 29.879 -9.320 1.00 0.00 N ATOM 1383 OXT GLN A 88 18.260 27.618 -14.660 1.00 0.00 O ATOM 0 H GLN A 88 15.811 27.484 -12.492 1.00 0.00 H new ATOM 0 HA GLN A 88 17.005 30.028 -12.871 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.169 28.573 -10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 88 18.148 27.445 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.890 29.149 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.891 30.374 -11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.530 30.803 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.810 29.673 -8.406 1.00 0.00 H new TER 1392 GLN A 88