USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1122 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 67 HIS : no HE2:sc= -1.17 K(o=-0.048,f=-11!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.12 K(o=-0.048,f=-14!) USER MOD Set 2.1: B 37 HIS : no HD1:sc= -0.0231 K(o=-0.56,f=-1.1!) USER MOD Set 2.2: B 40 THR OG1 : rot 180:sc= -0.535 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.802 K(o=1.1,f=-7.9!) USER MOD Set 3.2: B 67 HIS : no HE2:sc= 0.323 K(o=1.1,f=-6.8!) USER MOD Set 4.1: A 9 HIS : no HD1:sc= -0.268 K(o=-1.6,f=-2.2) USER MOD Set 4.2: A 37 HIS : no HD1:sc= -1.28 K(o=-1.6,f=-4.3!) USER MOD Set 4.3: A 40 THR OG1 : rot 180:sc=-0.000324 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -107:sc= 0.572 (180deg=-0.0123) USER MOD Single : A 8 TYR OH : rot -166:sc= 1.08 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0491 USER MOD Single : A 15 CYS SG : rot 30:sc= 0.424 USER MOD Single : A 17 SER OG : rot 77:sc= 0.185 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 24 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.08) USER MOD Single : A 31 TYR OH : rot -153:sc= 1.13 USER MOD Single : A 32 THR OG1 : rot 26:sc= 0.574 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0141) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc=-0.000405 (180deg=-0.0871) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0307) USER MOD Single : A 55 SER OG : rot -3:sc= 0.279 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -120:sc= 1.22 (180deg=-0.13) USER MOD Single : B 8 TYR OH : rot -160:sc= 0.543 USER MOD Single : B 9 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-7.3!) USER MOD Single : B 12 CYS SG : rot 180:sc= 0.00492 USER MOD Single : B 15 CYS SG : rot 19:sc= -4.19! USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 164:sc= 1.05 (180deg=0.143) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 97:sc= 0.0228 USER MOD Single : B 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00498) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 172:sc= 0.854 (180deg=0.625) USER MOD Single : B 55 SER OG : rot -160:sc= 0.44 USER MOD Single : B 78 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.938) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 28.882 15.492 -10.988 1.00 0.00 N ATOM 20 CA ALA A 2 29.174 15.169 -9.603 1.00 0.00 C ATOM 21 C ALA A 2 28.698 16.263 -8.653 1.00 0.00 C ATOM 22 O ALA A 2 29.470 17.132 -8.247 1.00 0.00 O ATOM 23 CB ALA A 2 30.662 14.909 -9.422 1.00 0.00 C ATOM 0 HA ALA A 2 28.625 14.261 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 2 30.865 14.668 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 2 30.965 14.073 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 2 31.224 15.799 -9.705 1.00 0.00 H new ATOM 29 N SER A 3 27.411 16.240 -8.346 1.00 0.00 N ATOM 30 CA SER A 3 26.852 17.102 -7.318 1.00 0.00 C ATOM 31 C SER A 3 26.922 16.384 -5.977 1.00 0.00 C ATOM 32 O SER A 3 26.711 15.171 -5.909 1.00 0.00 O ATOM 33 CB SER A 3 25.403 17.460 -7.655 1.00 0.00 C ATOM 34 OG SER A 3 25.312 18.067 -8.935 1.00 0.00 O ATOM 0 H SER A 3 26.730 15.629 -8.798 1.00 0.00 H new ATOM 0 HA SER A 3 27.427 18.027 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.788 16.561 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.007 18.138 -6.899 1.00 0.00 H new ATOM 0 HG SER A 3 24.376 18.285 -9.128 1.00 0.00 H new ATOM 40 N LYS A 4 27.237 17.113 -4.918 1.00 0.00 N ATOM 41 CA LYS A 4 27.418 16.500 -3.613 1.00 0.00 C ATOM 42 C LYS A 4 26.078 16.212 -2.945 1.00 0.00 C ATOM 43 O LYS A 4 25.334 17.123 -2.583 1.00 0.00 O ATOM 44 CB LYS A 4 28.293 17.378 -2.711 1.00 0.00 C ATOM 45 CG LYS A 4 28.384 16.867 -1.282 1.00 0.00 C ATOM 46 CD LYS A 4 29.587 17.441 -0.547 1.00 0.00 C ATOM 47 CE LYS A 4 29.600 17.002 0.908 1.00 0.00 C ATOM 48 NZ LYS A 4 30.884 17.316 1.587 1.00 0.00 N ATOM 0 H LYS A 4 27.372 18.124 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 4 27.929 15.549 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 4 29.296 17.435 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.892 18.392 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.472 17.128 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.449 15.779 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 4 30.505 17.116 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 4 29.565 18.529 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 4 28.783 17.491 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 4 29.418 15.929 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 31.423 16.439 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.438 17.969 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.691 17.761 2.507 1.00 0.00 H new ATOM 62 N ALA A 5 25.774 14.932 -2.809 1.00 0.00 N ATOM 63 CA ALA A 5 24.576 14.493 -2.118 1.00 0.00 C ATOM 64 C ALA A 5 24.958 13.863 -0.786 1.00 0.00 C ATOM 65 O ALA A 5 25.482 12.757 -0.744 1.00 0.00 O ATOM 66 CB ALA A 5 23.798 13.511 -2.980 1.00 0.00 C ATOM 0 H ALA A 5 26.349 14.172 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 5 23.934 15.353 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.902 13.191 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.512 13.994 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.421 12.643 -3.196 1.00 0.00 H new ATOM 72 N ILE A 6 24.694 14.573 0.299 1.00 0.00 N ATOM 73 CA ILE A 6 25.148 14.141 1.614 1.00 0.00 C ATOM 74 C ILE A 6 24.039 13.380 2.333 1.00 0.00 C ATOM 75 O ILE A 6 22.995 13.938 2.645 1.00 0.00 O ATOM 76 CB ILE A 6 25.562 15.342 2.491 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.137 16.470 1.632 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.586 14.898 3.526 1.00 0.00 C ATOM 79 CD1 ILE A 6 26.391 17.745 2.404 1.00 0.00 C ATOM 0 H ILE A 6 24.170 15.448 0.297 1.00 0.00 H new ATOM 0 HA ILE A 6 26.013 13.495 1.460 1.00 0.00 H new ATOM 0 HB ILE A 6 24.676 15.719 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.072 16.134 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.448 16.681 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.874 15.750 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 6 26.152 14.124 4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.466 14.502 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 6 26.798 18.502 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.455 18.105 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.104 17.549 3.205 1.00 0.00 H new ATOM 91 N PHE A 7 24.280 12.108 2.597 1.00 0.00 N ATOM 92 CA PHE A 7 23.271 11.266 3.220 1.00 0.00 C ATOM 93 C PHE A 7 23.553 11.103 4.710 1.00 0.00 C ATOM 94 O PHE A 7 24.395 10.298 5.108 1.00 0.00 O ATOM 95 CB PHE A 7 23.225 9.900 2.526 1.00 0.00 C ATOM 96 CG PHE A 7 22.138 8.987 3.029 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.804 9.306 2.835 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.453 7.807 3.683 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.804 8.467 3.285 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.456 6.963 4.135 1.00 0.00 C ATOM 101 CZ PHE A 7 20.129 7.293 3.936 1.00 0.00 C ATOM 0 H PHE A 7 25.161 11.636 2.391 1.00 0.00 H new ATOM 0 HA PHE A 7 22.299 11.746 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.088 10.054 1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.188 9.406 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.543 10.222 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.488 7.544 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.768 8.729 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.714 6.046 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.348 6.635 4.288 1.00 0.00 H new ATOM 111 N TYR A 8 22.862 11.893 5.520 1.00 0.00 N ATOM 112 CA TYR A 8 22.973 11.803 6.969 1.00 0.00 C ATOM 113 C TYR A 8 22.015 10.745 7.499 1.00 0.00 C ATOM 114 O TYR A 8 20.801 10.946 7.497 1.00 0.00 O ATOM 115 CB TYR A 8 22.655 13.150 7.629 1.00 0.00 C ATOM 116 CG TYR A 8 23.740 14.200 7.502 1.00 0.00 C ATOM 117 CD1 TYR A 8 23.900 14.932 6.332 1.00 0.00 C ATOM 118 CD2 TYR A 8 24.590 14.473 8.567 1.00 0.00 C ATOM 119 CE1 TYR A 8 24.876 15.907 6.229 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.570 15.444 8.471 1.00 0.00 C ATOM 121 CZ TYR A 8 25.710 16.157 7.299 1.00 0.00 C ATOM 122 OH TYR A 8 26.676 17.135 7.202 1.00 0.00 O ATOM 0 H TYR A 8 22.213 12.609 5.194 1.00 0.00 H new ATOM 0 HA TYR A 8 23.999 11.527 7.212 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.737 13.543 7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.457 12.981 8.687 1.00 0.00 H new ATOM 0 HD1 TYR A 8 23.252 14.737 5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.483 13.917 9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.985 16.470 5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.222 15.643 9.309 1.00 0.00 H new ATOM 0 HH TYR A 8 27.314 17.039 7.940 1.00 0.00 H new ATOM 132 N HIS A 9 22.551 9.620 7.941 1.00 0.00 N ATOM 133 CA HIS A 9 21.716 8.539 8.447 1.00 0.00 C ATOM 134 C HIS A 9 22.052 8.235 9.902 1.00 0.00 C ATOM 135 O HIS A 9 23.118 8.608 10.393 1.00 0.00 O ATOM 136 CB HIS A 9 21.870 7.278 7.586 1.00 0.00 C ATOM 137 CG HIS A 9 23.207 6.606 7.691 1.00 0.00 C ATOM 138 ND1 HIS A 9 23.347 5.399 8.332 1.00 0.00 N ATOM 139 CD2 HIS A 9 24.414 6.998 7.214 1.00 0.00 C ATOM 140 CE1 HIS A 9 24.625 5.082 8.229 1.00 0.00 C ATOM 141 NE2 HIS A 9 25.308 6.020 7.563 1.00 0.00 N ATOM 0 H HIS A 9 23.553 9.430 7.961 1.00 0.00 H new ATOM 0 HA HIS A 9 20.677 8.863 8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 9 21.097 6.564 7.870 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.693 7.543 6.544 1.00 0.00 H new ATOM 0 HD2 HIS A 9 24.629 7.904 6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.063 4.180 8.631 1.00 0.00 H new ATOM 0 HE2 HIS A 9 26.306 6.009 7.354 1.00 0.00 H new ATOM 149 N ALA A 10 21.139 7.560 10.588 1.00 0.00 N ATOM 150 CA ALA A 10 21.322 7.250 11.999 1.00 0.00 C ATOM 151 C ALA A 10 21.818 5.821 12.192 1.00 0.00 C ATOM 152 O ALA A 10 22.116 5.404 13.309 1.00 0.00 O ATOM 153 CB ALA A 10 20.021 7.465 12.757 1.00 0.00 C ATOM 0 H ALA A 10 20.265 7.217 10.190 1.00 0.00 H new ATOM 0 HA ALA A 10 22.080 7.924 12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.171 7.230 13.811 1.00 0.00 H new ATOM 0 HB2 ALA A 10 19.710 8.505 12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.249 6.814 12.346 1.00 0.00 H new ATOM 159 N GLY A 11 21.909 5.076 11.098 1.00 0.00 N ATOM 160 CA GLY A 11 22.361 3.698 11.174 1.00 0.00 C ATOM 161 C GLY A 11 21.241 2.738 11.528 1.00 0.00 C ATOM 162 O GLY A 11 21.458 1.531 11.626 1.00 0.00 O ATOM 0 H GLY A 11 21.678 5.400 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.795 3.408 10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.152 3.619 11.920 1.00 0.00 H new ATOM 166 N CYS A 12 20.048 3.280 11.723 1.00 0.00 N ATOM 167 CA CYS A 12 18.874 2.476 12.035 1.00 0.00 C ATOM 168 C CYS A 12 18.505 1.590 10.842 1.00 0.00 C ATOM 169 O CYS A 12 18.873 1.896 9.706 1.00 0.00 O ATOM 170 CB CYS A 12 17.705 3.397 12.399 1.00 0.00 C ATOM 171 SG CYS A 12 18.074 4.557 13.737 1.00 0.00 S ATOM 0 H CYS A 12 19.866 4.282 11.670 1.00 0.00 H new ATOM 0 HA CYS A 12 19.097 1.830 12.884 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.410 3.961 11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 12 16.850 2.786 12.687 1.00 0.00 H new ATOM 0 HG CYS A 12 17.029 5.294 13.973 1.00 0.00 H new ATOM 177 N PRO A 13 17.782 0.478 11.082 1.00 0.00 N ATOM 178 CA PRO A 13 17.352 -0.445 10.024 1.00 0.00 C ATOM 179 C PRO A 13 16.670 0.272 8.860 1.00 0.00 C ATOM 180 O PRO A 13 16.922 -0.040 7.695 1.00 0.00 O ATOM 181 CB PRO A 13 16.364 -1.388 10.730 1.00 0.00 C ATOM 182 CG PRO A 13 16.125 -0.793 12.080 1.00 0.00 C ATOM 183 CD PRO A 13 17.342 0.016 12.404 1.00 0.00 C ATOM 0 HA PRO A 13 18.202 -0.962 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.433 -1.470 10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.776 -2.394 10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.232 -0.168 12.077 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.966 -1.572 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 13 17.110 0.849 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 13 18.107 -0.583 12.899 1.00 0.00 H new ATOM 191 N VAL A 14 15.825 1.247 9.181 1.00 0.00 N ATOM 192 CA VAL A 14 15.140 2.037 8.162 1.00 0.00 C ATOM 193 C VAL A 14 16.147 2.790 7.290 1.00 0.00 C ATOM 194 O VAL A 14 15.973 2.903 6.075 1.00 0.00 O ATOM 195 CB VAL A 14 14.152 3.041 8.798 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.437 3.855 7.729 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.144 2.312 9.674 1.00 0.00 C ATOM 0 H VAL A 14 15.598 1.510 10.140 1.00 0.00 H new ATOM 0 HA VAL A 14 14.576 1.343 7.539 1.00 0.00 H new ATOM 0 HB VAL A 14 14.723 3.729 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.748 4.553 8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.170 4.410 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.880 3.185 7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.456 3.033 10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.584 1.599 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.669 1.780 10.468 1.00 0.00 H new ATOM 207 N CYS A 15 17.211 3.281 7.916 1.00 0.00 N ATOM 208 CA CYS A 15 18.262 3.989 7.198 1.00 0.00 C ATOM 209 C CYS A 15 19.000 3.031 6.268 1.00 0.00 C ATOM 210 O CYS A 15 19.383 3.397 5.159 1.00 0.00 O ATOM 211 CB CYS A 15 19.249 4.622 8.182 1.00 0.00 C ATOM 212 SG CYS A 15 18.488 5.737 9.386 1.00 0.00 S ATOM 0 H CYS A 15 17.368 3.201 8.921 1.00 0.00 H new ATOM 0 HA CYS A 15 17.803 4.779 6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.769 3.828 8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.002 5.173 7.619 1.00 0.00 H new ATOM 0 HG CYS A 15 17.271 5.349 9.628 1.00 0.00 H new ATOM 218 N VAL A 16 19.183 1.798 6.730 1.00 0.00 N ATOM 219 CA VAL A 16 19.839 0.768 5.935 1.00 0.00 C ATOM 220 C VAL A 16 19.014 0.448 4.693 1.00 0.00 C ATOM 221 O VAL A 16 19.543 0.398 3.585 1.00 0.00 O ATOM 222 CB VAL A 16 20.063 -0.523 6.753 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.773 -1.580 5.919 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.851 -0.224 8.019 1.00 0.00 C ATOM 0 H VAL A 16 18.885 1.488 7.655 1.00 0.00 H new ATOM 0 HA VAL A 16 20.812 1.157 5.635 1.00 0.00 H new ATOM 0 HB VAL A 16 19.087 -0.916 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.919 -2.479 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.168 -1.821 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.742 -1.198 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.999 -1.146 8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.820 0.198 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.300 0.490 8.631 1.00 0.00 H new ATOM 234 N SER A 17 17.713 0.251 4.883 1.00 0.00 N ATOM 235 CA SER A 17 16.807 -0.021 3.771 1.00 0.00 C ATOM 236 C SER A 17 16.823 1.129 2.764 1.00 0.00 C ATOM 237 O SER A 17 16.794 0.909 1.551 1.00 0.00 O ATOM 238 CB SER A 17 15.389 -0.243 4.299 1.00 0.00 C ATOM 239 OG SER A 17 15.371 -1.264 5.284 1.00 0.00 O ATOM 0 H SER A 17 17.262 0.275 5.797 1.00 0.00 H new ATOM 0 HA SER A 17 17.144 -0.924 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.005 0.685 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.728 -0.514 3.476 1.00 0.00 H new ATOM 0 HG SER A 17 15.716 -0.909 6.130 1.00 0.00 H new ATOM 245 N ALA A 18 16.886 2.357 3.274 1.00 0.00 N ATOM 246 CA ALA A 18 16.961 3.536 2.424 1.00 0.00 C ATOM 247 C ALA A 18 18.252 3.528 1.611 1.00 0.00 C ATOM 248 O ALA A 18 18.266 3.912 0.443 1.00 0.00 O ATOM 249 CB ALA A 18 16.864 4.804 3.261 1.00 0.00 C ATOM 0 H ALA A 18 16.886 2.558 4.274 1.00 0.00 H new ATOM 0 HA ALA A 18 16.119 3.516 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.922 5.676 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.915 4.814 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.686 4.831 3.977 1.00 0.00 H new ATOM 255 N GLU A 19 19.330 3.072 2.233 1.00 0.00 N ATOM 256 CA GLU A 19 20.618 2.977 1.563 1.00 0.00 C ATOM 257 C GLU A 19 20.583 1.896 0.483 1.00 0.00 C ATOM 258 O GLU A 19 20.997 2.125 -0.653 1.00 0.00 O ATOM 259 CB GLU A 19 21.723 2.662 2.574 1.00 0.00 C ATOM 260 CG GLU A 19 23.114 2.668 1.967 1.00 0.00 C ATOM 261 CD GLU A 19 24.150 2.048 2.878 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.743 2.773 3.702 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.388 0.828 2.759 1.00 0.00 O ATOM 0 H GLU A 19 19.337 2.761 3.204 1.00 0.00 H new ATOM 0 HA GLU A 19 20.829 3.938 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.684 3.392 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.532 1.685 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.096 2.126 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.403 3.694 1.740 1.00 0.00 H new ATOM 270 N GLN A 20 20.066 0.724 0.844 1.00 0.00 N ATOM 271 CA GLN A 20 20.020 -0.418 -0.067 1.00 0.00 C ATOM 272 C GLN A 20 19.245 -0.090 -1.340 1.00 0.00 C ATOM 273 O GLN A 20 19.590 -0.562 -2.423 1.00 0.00 O ATOM 274 CB GLN A 20 19.377 -1.626 0.618 1.00 0.00 C ATOM 275 CG GLN A 20 20.110 -2.096 1.861 1.00 0.00 C ATOM 276 CD GLN A 20 19.442 -3.293 2.508 1.00 0.00 C ATOM 277 OE1 GLN A 20 18.226 -3.475 2.404 1.00 0.00 O ATOM 278 NE2 GLN A 20 20.224 -4.115 3.192 1.00 0.00 N ATOM 0 H GLN A 20 19.671 0.539 1.766 1.00 0.00 H new ATOM 0 HA GLN A 20 21.049 -0.655 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.351 -1.374 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.326 -2.450 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.136 -2.354 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.161 -1.279 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.225 -3.931 3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.825 -4.931 3.655 1.00 0.00 H new ATOM 287 N ALA A 21 18.204 0.717 -1.209 1.00 0.00 N ATOM 288 CA ALA A 21 17.360 1.047 -2.348 1.00 0.00 C ATOM 289 C ALA A 21 17.709 2.411 -2.940 1.00 0.00 C ATOM 290 O ALA A 21 18.194 2.496 -4.064 1.00 0.00 O ATOM 291 CB ALA A 21 15.893 1.002 -1.947 1.00 0.00 C ATOM 0 H ALA A 21 17.924 1.154 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 21 17.543 0.300 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.273 1.251 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.642 0.001 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.712 1.722 -1.149 1.00 0.00 H new ATOM 297 N VAL A 22 17.482 3.469 -2.171 1.00 0.00 N ATOM 298 CA VAL A 22 17.625 4.834 -2.674 1.00 0.00 C ATOM 299 C VAL A 22 19.086 5.185 -2.954 1.00 0.00 C ATOM 300 O VAL A 22 19.413 5.694 -4.027 1.00 0.00 O ATOM 301 CB VAL A 22 17.037 5.866 -1.686 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.104 7.271 -2.268 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.605 5.504 -1.318 1.00 0.00 C ATOM 0 H VAL A 22 17.197 3.410 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 22 17.067 4.876 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 22 17.638 5.846 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.684 7.981 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.143 7.532 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.533 7.308 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.210 6.244 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.991 5.489 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.587 4.520 -0.850 1.00 0.00 H new ATOM 313 N ALA A 23 19.963 4.893 -2.000 1.00 0.00 N ATOM 314 CA ALA A 23 21.377 5.240 -2.136 1.00 0.00 C ATOM 315 C ALA A 23 22.065 4.370 -3.187 1.00 0.00 C ATOM 316 O ALA A 23 23.173 4.669 -3.623 1.00 0.00 O ATOM 317 CB ALA A 23 22.089 5.127 -0.797 1.00 0.00 C ATOM 0 H ALA A 23 19.724 4.420 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 23 21.434 6.275 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.140 5.389 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.627 5.806 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.011 4.104 -0.429 1.00 0.00 H new ATOM 323 N ASN A 24 21.404 3.291 -3.585 1.00 0.00 N ATOM 324 CA ASN A 24 21.910 2.440 -4.655 1.00 0.00 C ATOM 325 C ASN A 24 21.148 2.706 -5.947 1.00 0.00 C ATOM 326 O ASN A 24 21.453 2.135 -6.992 1.00 0.00 O ATOM 327 CB ASN A 24 21.812 0.960 -4.271 1.00 0.00 C ATOM 328 CG ASN A 24 22.984 0.496 -3.424 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.981 -0.007 -3.946 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.879 0.663 -2.115 1.00 0.00 N ATOM 0 H ASN A 24 20.518 2.984 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 24 22.962 2.680 -4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 24 20.884 0.791 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 24 21.762 0.356 -5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.640 0.371 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 24 22.038 1.083 -1.720 1.00 0.00 H new ATOM 337 N ALA A 25 20.146 3.573 -5.864 1.00 0.00 N ATOM 338 CA ALA A 25 19.403 4.005 -7.040 1.00 0.00 C ATOM 339 C ALA A 25 20.086 5.211 -7.662 1.00 0.00 C ATOM 340 O ALA A 25 20.043 5.414 -8.877 1.00 0.00 O ATOM 341 CB ALA A 25 17.962 4.334 -6.678 1.00 0.00 C ATOM 0 H ALA A 25 19.829 3.992 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 25 19.388 3.191 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.426 4.654 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.480 3.449 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.946 5.135 -5.939 1.00 0.00 H new ATOM 347 N ILE A 26 20.709 6.008 -6.811 1.00 0.00 N ATOM 348 CA ILE A 26 21.487 7.148 -7.254 1.00 0.00 C ATOM 349 C ILE A 26 22.954 6.752 -7.340 1.00 0.00 C ATOM 350 O ILE A 26 23.660 6.731 -6.334 1.00 0.00 O ATOM 351 CB ILE A 26 21.336 8.345 -6.290 1.00 0.00 C ATOM 352 CG1 ILE A 26 19.855 8.661 -6.063 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.063 9.567 -6.841 1.00 0.00 C ATOM 354 CD1 ILE A 26 19.612 9.730 -5.016 1.00 0.00 C ATOM 0 H ILE A 26 20.689 5.883 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 26 21.118 7.452 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 26 21.785 8.079 -5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.413 8.982 -7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.340 7.748 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 26 21.947 10.402 -6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.122 9.338 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.640 9.836 -7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.540 9.899 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.023 9.404 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.097 10.657 -5.323 1.00 0.00 H new ATOM 366 N ASP A 27 23.390 6.390 -8.541 1.00 0.00 N ATOM 367 CA ASP A 27 24.770 5.966 -8.758 1.00 0.00 C ATOM 368 C ASP A 27 25.749 7.057 -8.347 1.00 0.00 C ATOM 369 O ASP A 27 25.600 8.213 -8.741 1.00 0.00 O ATOM 370 CB ASP A 27 25.008 5.588 -10.223 1.00 0.00 C ATOM 371 CG ASP A 27 24.454 4.223 -10.576 1.00 0.00 C ATOM 372 OD1 ASP A 27 25.085 3.208 -10.207 1.00 0.00 O ATOM 373 OD2 ASP A 27 23.403 4.151 -11.242 1.00 0.00 O ATOM 0 H ASP A 27 22.809 6.381 -9.379 1.00 0.00 H new ATOM 0 HA ASP A 27 24.940 5.087 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 27 24.549 6.339 -10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.078 5.605 -10.428 1.00 0.00 H new ATOM 378 N PRO A 28 26.768 6.697 -7.550 1.00 0.00 N ATOM 379 CA PRO A 28 27.796 7.636 -7.084 1.00 0.00 C ATOM 380 C PRO A 28 28.604 8.252 -8.228 1.00 0.00 C ATOM 381 O PRO A 28 29.313 9.239 -8.037 1.00 0.00 O ATOM 382 CB PRO A 28 28.700 6.778 -6.194 1.00 0.00 C ATOM 383 CG PRO A 28 27.870 5.597 -5.826 1.00 0.00 C ATOM 384 CD PRO A 28 26.976 5.346 -7.004 1.00 0.00 C ATOM 0 HA PRO A 28 27.350 8.486 -6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.603 6.476 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.019 7.328 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.495 4.729 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.287 5.794 -4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 28 27.443 4.683 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.036 4.881 -6.707 1.00 0.00 H new ATOM 392 N SER A 29 28.512 7.654 -9.411 1.00 0.00 N ATOM 393 CA SER A 29 29.160 8.206 -10.595 1.00 0.00 C ATOM 394 C SER A 29 28.225 9.194 -11.290 1.00 0.00 C ATOM 395 O SER A 29 28.666 10.090 -12.015 1.00 0.00 O ATOM 396 CB SER A 29 29.548 7.082 -11.554 1.00 0.00 C ATOM 397 OG SER A 29 30.293 6.078 -10.885 1.00 0.00 O ATOM 0 H SER A 29 27.996 6.789 -9.575 1.00 0.00 H new ATOM 0 HA SER A 29 30.064 8.733 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 29 28.650 6.644 -11.989 1.00 0.00 H new ATOM 0 HB3 SER A 29 30.136 7.488 -12.377 1.00 0.00 H new ATOM 0 HG SER A 29 30.528 5.368 -11.519 1.00 0.00 H new ATOM 403 N LYS A 30 26.931 9.025 -11.051 1.00 0.00 N ATOM 404 CA LYS A 30 25.921 9.919 -11.590 1.00 0.00 C ATOM 405 C LYS A 30 25.883 11.183 -10.738 1.00 0.00 C ATOM 406 O LYS A 30 25.900 12.298 -11.258 1.00 0.00 O ATOM 407 CB LYS A 30 24.554 9.218 -11.591 1.00 0.00 C ATOM 408 CG LYS A 30 23.445 9.987 -12.293 1.00 0.00 C ATOM 409 CD LYS A 30 22.112 9.257 -12.171 1.00 0.00 C ATOM 410 CE LYS A 30 20.980 10.005 -12.863 1.00 0.00 C ATOM 411 NZ LYS A 30 21.186 10.097 -14.334 1.00 0.00 N ATOM 0 H LYS A 30 26.556 8.267 -10.480 1.00 0.00 H new ATOM 0 HA LYS A 30 26.164 10.188 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.661 8.244 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.254 9.036 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.359 10.984 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.698 10.117 -13.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.205 8.261 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.867 9.125 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.036 9.500 -12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.901 11.009 -12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.315 10.443 -14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.966 10.755 -14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.421 9.157 -14.711 1.00 0.00 H new ATOM 425 N TYR A 31 25.843 10.982 -9.424 1.00 0.00 N ATOM 426 CA TYR A 31 25.948 12.066 -8.452 1.00 0.00 C ATOM 427 C TYR A 31 26.813 11.603 -7.287 1.00 0.00 C ATOM 428 O TYR A 31 26.686 10.469 -6.832 1.00 0.00 O ATOM 429 CB TYR A 31 24.567 12.488 -7.932 1.00 0.00 C ATOM 430 CG TYR A 31 23.632 12.997 -9.004 1.00 0.00 C ATOM 431 CD1 TYR A 31 23.739 14.293 -9.494 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.649 12.175 -9.536 1.00 0.00 C ATOM 433 CE1 TYR A 31 22.889 14.755 -10.481 1.00 0.00 C ATOM 434 CE2 TYR A 31 21.799 12.630 -10.524 1.00 0.00 C ATOM 435 CZ TYR A 31 21.922 13.917 -10.993 1.00 0.00 C ATOM 436 OH TYR A 31 21.077 14.364 -11.986 1.00 0.00 O ATOM 0 H TYR A 31 25.736 10.060 -9.002 1.00 0.00 H new ATOM 0 HA TYR A 31 26.400 12.929 -8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.103 11.637 -7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.696 13.265 -7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 31 24.499 14.950 -9.097 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.547 11.163 -9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 31 22.982 15.766 -10.849 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.039 11.977 -10.928 1.00 0.00 H new ATOM 0 HH TYR A 31 20.231 13.871 -11.942 1.00 0.00 H new ATOM 446 N THR A 32 27.694 12.469 -6.809 1.00 0.00 N ATOM 447 CA THR A 32 28.606 12.105 -5.734 1.00 0.00 C ATOM 448 C THR A 32 27.898 12.076 -4.382 1.00 0.00 C ATOM 449 O THR A 32 27.638 13.116 -3.776 1.00 0.00 O ATOM 450 CB THR A 32 29.805 13.066 -5.675 1.00 0.00 C ATOM 451 OG1 THR A 32 29.375 14.402 -5.963 1.00 0.00 O ATOM 452 CG2 THR A 32 30.885 12.645 -6.660 1.00 0.00 C ATOM 0 H THR A 32 27.797 13.426 -7.147 1.00 0.00 H new ATOM 0 HA THR A 32 28.970 11.101 -5.952 1.00 0.00 H new ATOM 0 HB THR A 32 30.224 13.031 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.426 14.496 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.723 13.340 -6.600 1.00 0.00 H new ATOM 0 HG22 THR A 32 31.229 11.640 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 32 30.478 12.653 -7.671 1.00 0.00 H new ATOM 460 N VAL A 33 27.577 10.874 -3.925 1.00 0.00 N ATOM 461 CA VAL A 33 26.898 10.691 -2.652 1.00 0.00 C ATOM 462 C VAL A 33 27.908 10.537 -1.517 1.00 0.00 C ATOM 463 O VAL A 33 28.865 9.769 -1.624 1.00 0.00 O ATOM 464 CB VAL A 33 25.972 9.455 -2.686 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.197 9.313 -1.383 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.018 9.530 -3.870 1.00 0.00 C ATOM 0 H VAL A 33 27.778 10.006 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 33 26.292 11.580 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 33 26.599 8.571 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.554 8.435 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.896 9.201 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.586 10.201 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.375 8.650 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.405 10.427 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.591 9.567 -4.797 1.00 0.00 H new ATOM 476 N GLU A 34 27.695 11.279 -0.441 1.00 0.00 N ATOM 477 CA GLU A 34 28.553 11.207 0.730 1.00 0.00 C ATOM 478 C GLU A 34 27.766 10.664 1.919 1.00 0.00 C ATOM 479 O GLU A 34 26.932 11.360 2.496 1.00 0.00 O ATOM 480 CB GLU A 34 29.128 12.591 1.056 1.00 0.00 C ATOM 481 CG GLU A 34 30.168 12.576 2.167 1.00 0.00 C ATOM 482 CD GLU A 34 30.767 13.944 2.426 1.00 0.00 C ATOM 483 OE1 GLU A 34 31.484 14.461 1.542 1.00 0.00 O ATOM 484 OE2 GLU A 34 30.526 14.514 3.512 1.00 0.00 O ATOM 0 H GLU A 34 26.927 11.944 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 34 29.382 10.531 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.578 13.009 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.313 13.255 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.709 12.205 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.964 11.879 1.905 1.00 0.00 H new ATOM 491 N ILE A 35 28.009 9.404 2.250 1.00 0.00 N ATOM 492 CA ILE A 35 27.344 8.761 3.376 1.00 0.00 C ATOM 493 C ILE A 35 27.933 9.257 4.696 1.00 0.00 C ATOM 494 O ILE A 35 29.129 9.100 4.944 1.00 0.00 O ATOM 495 CB ILE A 35 27.483 7.222 3.301 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.952 6.693 1.965 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.758 6.556 4.463 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.483 6.979 1.728 1.00 0.00 C ATOM 0 H ILE A 35 28.666 8.803 1.752 1.00 0.00 H new ATOM 0 HA ILE A 35 26.287 9.021 3.328 1.00 0.00 H new ATOM 0 HB ILE A 35 28.542 6.976 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 35 27.533 7.134 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.113 5.616 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.869 5.474 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 35 27.185 6.902 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.700 6.815 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.185 6.573 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 35 24.890 6.514 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.316 8.056 1.736 1.00 0.00 H new ATOM 510 N VAL A 36 27.096 9.867 5.528 1.00 0.00 N ATOM 511 CA VAL A 36 27.534 10.395 6.815 1.00 0.00 C ATOM 512 C VAL A 36 26.624 9.897 7.938 1.00 0.00 C ATOM 513 O VAL A 36 25.404 10.057 7.882 1.00 0.00 O ATOM 514 CB VAL A 36 27.546 11.943 6.824 1.00 0.00 C ATOM 515 CG1 VAL A 36 28.026 12.479 8.167 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.414 12.484 5.696 1.00 0.00 C ATOM 0 H VAL A 36 26.105 10.009 5.333 1.00 0.00 H new ATOM 0 HA VAL A 36 28.551 10.037 6.978 1.00 0.00 H new ATOM 0 HB VAL A 36 26.523 12.285 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 36 28.025 13.569 8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.360 12.131 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 36 29.037 12.121 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.407 13.574 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.436 12.124 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.021 12.142 4.739 1.00 0.00 H new ATOM 526 N HIS A 37 27.221 9.289 8.952 1.00 0.00 N ATOM 527 CA HIS A 37 26.464 8.797 10.095 1.00 0.00 C ATOM 528 C HIS A 37 26.276 9.922 11.110 1.00 0.00 C ATOM 529 O HIS A 37 27.251 10.477 11.617 1.00 0.00 O ATOM 530 CB HIS A 37 27.192 7.614 10.743 1.00 0.00 C ATOM 531 CG HIS A 37 26.332 6.794 11.658 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.074 7.181 12.952 1.00 0.00 N ATOM 533 CD2 HIS A 37 25.708 5.615 11.421 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.305 6.236 13.465 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.057 5.269 12.577 1.00 0.00 N ATOM 0 H HIS A 37 28.226 9.124 9.008 1.00 0.00 H new ATOM 0 HA HIS A 37 25.486 8.457 9.755 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.586 6.969 9.958 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.046 7.991 11.305 1.00 0.00 H new ATOM 0 HD2 HIS A 37 25.721 5.055 10.498 1.00 0.00 H new ATOM 0 HE1 HIS A 37 24.925 6.245 14.476 1.00 0.00 H new ATOM 0 HE2 HIS A 37 24.492 4.434 12.730 1.00 0.00 H new ATOM 543 N LEU A 38 25.027 10.264 11.391 1.00 0.00 N ATOM 544 CA LEU A 38 24.721 11.340 12.327 1.00 0.00 C ATOM 545 C LEU A 38 24.103 10.779 13.607 1.00 0.00 C ATOM 546 O LEU A 38 23.710 11.520 14.506 1.00 0.00 O ATOM 547 CB LEU A 38 23.770 12.355 11.675 1.00 0.00 C ATOM 548 CG LEU A 38 23.494 13.618 12.500 1.00 0.00 C ATOM 549 CD1 LEU A 38 24.783 14.370 12.772 1.00 0.00 C ATOM 550 CD2 LEU A 38 22.494 14.520 11.795 1.00 0.00 C ATOM 0 H LEU A 38 24.207 9.813 10.985 1.00 0.00 H new ATOM 0 HA LEU A 38 25.650 11.847 12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 38 24.187 12.653 10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.821 11.860 11.471 1.00 0.00 H new ATOM 0 HG LEU A 38 23.063 13.310 13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 38 24.566 15.263 13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 38 25.468 13.729 13.327 1.00 0.00 H new ATOM 0 HD13 LEU A 38 25.242 14.659 11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.315 15.409 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 22.892 14.816 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 38 21.556 13.983 11.654 1.00 0.00 H new ATOM 562 N GLY A 39 24.032 9.460 13.689 1.00 0.00 N ATOM 563 CA GLY A 39 23.436 8.825 14.848 1.00 0.00 C ATOM 564 C GLY A 39 24.376 8.789 16.036 1.00 0.00 C ATOM 565 O GLY A 39 23.940 8.854 17.185 1.00 0.00 O ATOM 0 H GLY A 39 24.376 8.817 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 39 22.527 9.359 15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.142 7.808 14.590 1.00 0.00 H new ATOM 569 N THR A 40 25.669 8.688 15.759 1.00 0.00 N ATOM 570 CA THR A 40 26.669 8.605 16.813 1.00 0.00 C ATOM 571 C THR A 40 27.226 9.986 17.149 1.00 0.00 C ATOM 572 O THR A 40 27.420 10.326 18.318 1.00 0.00 O ATOM 573 CB THR A 40 27.832 7.685 16.389 1.00 0.00 C ATOM 574 OG1 THR A 40 27.313 6.481 15.811 1.00 0.00 O ATOM 575 CG2 THR A 40 28.718 7.339 17.576 1.00 0.00 C ATOM 0 H THR A 40 26.049 8.662 14.813 1.00 0.00 H new ATOM 0 HA THR A 40 26.180 8.192 17.695 1.00 0.00 H new ATOM 0 HB THR A 40 28.435 8.217 15.653 1.00 0.00 H new ATOM 0 HG1 THR A 40 28.056 5.901 15.542 1.00 0.00 H new ATOM 0 HG21 THR A 40 29.529 6.689 17.247 1.00 0.00 H new ATOM 0 HG22 THR A 40 29.134 8.254 17.998 1.00 0.00 H new ATOM 0 HG23 THR A 40 28.127 6.826 18.334 1.00 0.00 H new ATOM 583 N ASP A 41 27.468 10.776 16.113 1.00 0.00 N ATOM 584 CA ASP A 41 28.101 12.079 16.258 1.00 0.00 C ATOM 585 C ASP A 41 27.115 13.111 16.802 1.00 0.00 C ATOM 586 O ASP A 41 26.273 13.625 16.067 1.00 0.00 O ATOM 587 CB ASP A 41 28.649 12.540 14.903 1.00 0.00 C ATOM 588 CG ASP A 41 29.672 13.651 15.017 1.00 0.00 C ATOM 589 OD1 ASP A 41 29.541 14.507 15.918 1.00 0.00 O ATOM 590 OD2 ASP A 41 30.624 13.666 14.208 1.00 0.00 O ATOM 0 H ASP A 41 27.232 10.533 15.151 1.00 0.00 H new ATOM 0 HA ASP A 41 28.921 11.987 16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 41 29.102 11.689 14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 41 27.821 12.880 14.281 1.00 0.00 H new ATOM 595 N LYS A 42 27.222 13.406 18.094 1.00 0.00 N ATOM 596 CA LYS A 42 26.360 14.399 18.726 1.00 0.00 C ATOM 597 C LYS A 42 26.893 15.811 18.506 1.00 0.00 C ATOM 598 O LYS A 42 26.207 16.794 18.788 1.00 0.00 O ATOM 599 CB LYS A 42 26.216 14.127 20.224 1.00 0.00 C ATOM 600 CG LYS A 42 25.274 12.980 20.552 1.00 0.00 C ATOM 601 CD LYS A 42 25.081 12.835 22.053 1.00 0.00 C ATOM 602 CE LYS A 42 23.955 11.869 22.386 1.00 0.00 C ATOM 603 NZ LYS A 42 24.228 10.494 21.891 1.00 0.00 N ATOM 0 H LYS A 42 27.897 12.972 18.724 1.00 0.00 H new ATOM 0 HA LYS A 42 25.378 14.321 18.259 1.00 0.00 H new ATOM 0 HB2 LYS A 42 27.199 13.907 20.640 1.00 0.00 H new ATOM 0 HB3 LYS A 42 25.857 15.031 20.715 1.00 0.00 H new ATOM 0 HG2 LYS A 42 24.309 13.151 20.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 25.672 12.051 20.143 1.00 0.00 H new ATOM 0 HD2 LYS A 42 26.008 12.483 22.506 1.00 0.00 H new ATOM 0 HD3 LYS A 42 24.864 13.811 22.488 1.00 0.00 H new ATOM 0 HE2 LYS A 42 23.810 11.842 23.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 23.025 12.233 21.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 23.458 9.860 22.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 24.291 10.505 20.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.127 10.154 22.288 1.00 0.00 H new ATOM 617 N ALA A 43 28.112 15.911 17.997 1.00 0.00 N ATOM 618 CA ALA A 43 28.711 17.207 17.716 1.00 0.00 C ATOM 619 C ALA A 43 28.204 17.733 16.383 1.00 0.00 C ATOM 620 O ALA A 43 28.013 18.936 16.200 1.00 0.00 O ATOM 621 CB ALA A 43 30.230 17.105 17.710 1.00 0.00 C ATOM 0 H ALA A 43 28.704 15.112 17.771 1.00 0.00 H new ATOM 0 HA ALA A 43 28.423 17.906 18.501 1.00 0.00 H new ATOM 0 HB1 ALA A 43 30.660 18.084 17.498 1.00 0.00 H new ATOM 0 HB2 ALA A 43 30.575 16.760 18.685 1.00 0.00 H new ATOM 0 HB3 ALA A 43 30.544 16.397 16.943 1.00 0.00 H new ATOM 627 N ARG A 44 27.958 16.815 15.459 1.00 0.00 N ATOM 628 CA ARG A 44 27.464 17.170 14.138 1.00 0.00 C ATOM 629 C ARG A 44 25.981 17.525 14.152 1.00 0.00 C ATOM 630 O ARG A 44 25.398 17.779 13.104 1.00 0.00 O ATOM 631 CB ARG A 44 27.729 16.049 13.137 1.00 0.00 C ATOM 632 CG ARG A 44 29.058 16.191 12.424 1.00 0.00 C ATOM 633 CD ARG A 44 29.283 15.064 11.436 1.00 0.00 C ATOM 634 NE ARG A 44 30.416 15.337 10.561 1.00 0.00 N ATOM 635 CZ ARG A 44 31.643 14.858 10.757 1.00 0.00 C ATOM 636 NH1 ARG A 44 31.910 14.123 11.831 1.00 0.00 N ATOM 637 NH2 ARG A 44 32.611 15.142 9.895 1.00 0.00 N ATOM 0 H ARG A 44 28.094 15.814 15.602 1.00 0.00 H new ATOM 0 HA ARG A 44 28.012 18.059 13.826 1.00 0.00 H new ATOM 0 HB2 ARG A 44 27.703 15.092 13.657 1.00 0.00 H new ATOM 0 HB3 ARG A 44 26.927 16.032 12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 44 29.091 17.147 11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 44 29.865 16.201 13.156 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.456 14.134 11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 44 28.385 14.921 10.835 1.00 0.00 H new ATOM 0 HE ARG A 44 30.259 15.932 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.174 13.924 12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.851 13.758 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 44 32.415 15.727 9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.551 14.775 10.045 1.00 0.00 H new ATOM 651 N ILE A 45 25.371 17.548 15.329 1.00 0.00 N ATOM 652 CA ILE A 45 24.025 18.087 15.460 1.00 0.00 C ATOM 653 C ILE A 45 24.046 19.576 15.112 1.00 0.00 C ATOM 654 O ILE A 45 23.104 20.111 14.524 1.00 0.00 O ATOM 655 CB ILE A 45 23.456 17.877 16.881 1.00 0.00 C ATOM 656 CG1 ILE A 45 23.357 16.378 17.187 1.00 0.00 C ATOM 657 CG2 ILE A 45 22.091 18.541 17.023 1.00 0.00 C ATOM 658 CD1 ILE A 45 22.814 16.068 18.566 1.00 0.00 C ATOM 0 H ILE A 45 25.781 17.204 16.197 1.00 0.00 H new ATOM 0 HA ILE A 45 23.372 17.552 14.770 1.00 0.00 H new ATOM 0 HB ILE A 45 24.133 18.342 17.598 1.00 0.00 H new ATOM 0 HG12 ILE A 45 22.717 15.906 16.441 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.346 15.931 17.088 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.711 18.379 18.032 1.00 0.00 H new ATOM 0 HG22 ILE A 45 22.186 19.611 16.838 1.00 0.00 H new ATOM 0 HG23 ILE A 45 21.399 18.108 16.301 1.00 0.00 H new ATOM 0 HD11 ILE A 45 22.774 14.988 18.707 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.465 16.509 19.321 1.00 0.00 H new ATOM 0 HD13 ILE A 45 21.811 16.484 18.664 1.00 0.00 H new ATOM 670 N ALA A 46 25.156 20.232 15.442 1.00 0.00 N ATOM 671 CA ALA A 46 25.368 21.618 15.054 1.00 0.00 C ATOM 672 C ALA A 46 25.549 21.715 13.544 1.00 0.00 C ATOM 673 O ALA A 46 25.123 22.684 12.912 1.00 0.00 O ATOM 674 CB ALA A 46 26.578 22.194 15.774 1.00 0.00 C ATOM 0 H ALA A 46 25.921 19.823 15.978 1.00 0.00 H new ATOM 0 HA ALA A 46 24.492 22.200 15.340 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.722 23.231 15.472 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.416 22.149 16.851 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.465 21.615 15.516 1.00 0.00 H new ATOM 680 N GLU A 47 26.172 20.686 12.973 1.00 0.00 N ATOM 681 CA GLU A 47 26.376 20.606 11.531 1.00 0.00 C ATOM 682 C GLU A 47 25.059 20.286 10.830 1.00 0.00 C ATOM 683 O GLU A 47 24.855 20.646 9.672 1.00 0.00 O ATOM 684 CB GLU A 47 27.437 19.549 11.200 1.00 0.00 C ATOM 685 CG GLU A 47 27.792 19.471 9.721 1.00 0.00 C ATOM 686 CD GLU A 47 28.979 18.568 9.451 1.00 0.00 C ATOM 687 OE1 GLU A 47 30.121 18.985 9.746 1.00 0.00 O ATOM 688 OE2 GLU A 47 28.783 17.440 8.944 1.00 0.00 O ATOM 0 H GLU A 47 26.546 19.892 13.493 1.00 0.00 H new ATOM 0 HA GLU A 47 26.732 21.572 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.341 19.765 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.079 18.574 11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.929 19.107 9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.011 20.473 9.351 1.00 0.00 H new ATOM 695 N ALA A 48 24.163 19.617 11.545 1.00 0.00 N ATOM 696 CA ALA A 48 22.829 19.352 11.037 1.00 0.00 C ATOM 697 C ALA A 48 22.108 20.664 10.773 1.00 0.00 C ATOM 698 O ALA A 48 21.582 20.880 9.684 1.00 0.00 O ATOM 699 CB ALA A 48 22.041 18.488 12.011 1.00 0.00 C ATOM 0 H ALA A 48 24.339 19.249 12.480 1.00 0.00 H new ATOM 0 HA ALA A 48 22.913 18.803 10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.045 18.303 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.557 17.539 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.956 19.003 12.968 1.00 0.00 H new ATOM 705 N GLU A 49 22.121 21.556 11.761 1.00 0.00 N ATOM 706 CA GLU A 49 21.533 22.885 11.600 1.00 0.00 C ATOM 707 C GLU A 49 22.313 23.689 10.561 1.00 0.00 C ATOM 708 O GLU A 49 21.770 24.574 9.899 1.00 0.00 O ATOM 709 CB GLU A 49 21.537 23.644 12.929 1.00 0.00 C ATOM 710 CG GLU A 49 20.936 22.873 14.091 1.00 0.00 C ATOM 711 CD GLU A 49 20.754 23.737 15.321 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.764 24.101 15.965 1.00 0.00 O ATOM 713 OE2 GLU A 49 19.597 24.068 15.649 1.00 0.00 O ATOM 0 H GLU A 49 22.531 21.384 12.679 1.00 0.00 H new ATOM 0 HA GLU A 49 20.504 22.758 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.564 23.911 13.178 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.986 24.576 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.971 22.463 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.580 22.028 14.335 1.00 0.00 H new ATOM 720 N LYS A 50 23.594 23.367 10.440 1.00 0.00 N ATOM 721 CA LYS A 50 24.496 24.043 9.515 1.00 0.00 C ATOM 722 C LYS A 50 24.167 23.686 8.065 1.00 0.00 C ATOM 723 O LYS A 50 24.223 24.537 7.177 1.00 0.00 O ATOM 724 CB LYS A 50 25.937 23.647 9.861 1.00 0.00 C ATOM 725 CG LYS A 50 27.009 24.241 8.965 1.00 0.00 C ATOM 726 CD LYS A 50 28.393 23.826 9.448 1.00 0.00 C ATOM 727 CE LYS A 50 29.496 24.326 8.530 1.00 0.00 C ATOM 728 NZ LYS A 50 29.457 23.664 7.200 1.00 0.00 N ATOM 0 H LYS A 50 24.039 22.627 10.982 1.00 0.00 H new ATOM 0 HA LYS A 50 24.377 25.122 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.141 23.945 10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.016 22.561 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.860 23.907 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.928 25.328 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.556 24.214 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.442 22.739 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.399 25.404 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 50 30.465 24.146 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.310 23.917 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.421 22.632 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.613 23.978 6.680 1.00 0.00 H new ATOM 742 N ALA A 51 23.818 22.427 7.833 1.00 0.00 N ATOM 743 CA ALA A 51 23.500 21.954 6.493 1.00 0.00 C ATOM 744 C ALA A 51 22.009 22.085 6.189 1.00 0.00 C ATOM 745 O ALA A 51 21.619 22.369 5.057 1.00 0.00 O ATOM 746 CB ALA A 51 23.949 20.510 6.324 1.00 0.00 C ATOM 0 H ALA A 51 23.748 21.713 8.558 1.00 0.00 H new ATOM 0 HA ALA A 51 24.039 22.581 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 51 23.705 20.169 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 51 25.026 20.443 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 51 23.438 19.882 7.054 1.00 0.00 H new ATOM 752 N GLY A 52 21.180 21.882 7.200 1.00 0.00 N ATOM 753 CA GLY A 52 19.746 21.929 7.002 1.00 0.00 C ATOM 754 C GLY A 52 19.095 20.583 7.248 1.00 0.00 C ATOM 755 O GLY A 52 17.989 20.319 6.777 1.00 0.00 O ATOM 0 H GLY A 52 21.474 21.685 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 52 19.311 22.670 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 52 19.531 22.255 5.984 1.00 0.00 H new ATOM 759 N VAL A 53 19.789 19.730 7.988 1.00 0.00 N ATOM 760 CA VAL A 53 19.283 18.410 8.324 1.00 0.00 C ATOM 761 C VAL A 53 18.357 18.506 9.530 1.00 0.00 C ATOM 762 O VAL A 53 18.805 18.732 10.653 1.00 0.00 O ATOM 763 CB VAL A 53 20.435 17.430 8.632 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.901 16.035 8.919 1.00 0.00 C ATOM 765 CG2 VAL A 53 21.431 17.399 7.483 1.00 0.00 C ATOM 0 H VAL A 53 20.713 19.933 8.370 1.00 0.00 H new ATOM 0 HA VAL A 53 18.732 18.029 7.464 1.00 0.00 H new ATOM 0 HB VAL A 53 20.951 17.783 9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.733 15.364 9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 53 19.233 16.071 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 53 19.354 15.669 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 53 22.236 16.703 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.926 17.076 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.846 18.396 7.334 1.00 0.00 H new ATOM 775 N LYS A 54 17.066 18.351 9.287 1.00 0.00 N ATOM 776 CA LYS A 54 16.067 18.531 10.333 1.00 0.00 C ATOM 777 C LYS A 54 15.603 17.185 10.880 1.00 0.00 C ATOM 778 O LYS A 54 14.989 17.111 11.943 1.00 0.00 O ATOM 779 CB LYS A 54 14.883 19.327 9.781 1.00 0.00 C ATOM 780 CG LYS A 54 15.295 20.659 9.171 1.00 0.00 C ATOM 781 CD LYS A 54 14.127 21.366 8.503 1.00 0.00 C ATOM 782 CE LYS A 54 14.585 22.616 7.764 1.00 0.00 C ATOM 783 NZ LYS A 54 15.125 23.652 8.686 1.00 0.00 N ATOM 0 H LYS A 54 16.683 18.101 8.375 1.00 0.00 H new ATOM 0 HA LYS A 54 16.516 19.086 11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.372 18.730 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.167 19.507 10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.710 21.300 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 54 16.085 20.493 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.639 20.686 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.385 21.637 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.351 22.345 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.747 23.032 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.361 24.509 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.411 23.882 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.982 23.290 9.152 1.00 0.00 H new ATOM 797 N SER A 55 15.880 16.124 10.140 1.00 0.00 N ATOM 798 CA SER A 55 15.565 14.772 10.581 1.00 0.00 C ATOM 799 C SER A 55 16.506 13.772 9.919 1.00 0.00 C ATOM 800 O SER A 55 17.199 14.107 8.960 1.00 0.00 O ATOM 801 CB SER A 55 14.109 14.425 10.249 1.00 0.00 C ATOM 802 OG SER A 55 13.212 15.334 10.867 1.00 0.00 O ATOM 0 H SER A 55 16.326 16.172 9.224 1.00 0.00 H new ATOM 0 HA SER A 55 15.697 14.720 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.965 14.445 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.889 13.410 10.581 1.00 0.00 H new ATOM 0 HG SER A 55 13.716 15.962 11.426 1.00 0.00 H new ATOM 808 N VAL A 56 16.544 12.557 10.441 1.00 0.00 N ATOM 809 CA VAL A 56 17.353 11.502 9.850 1.00 0.00 C ATOM 810 C VAL A 56 16.494 10.280 9.536 1.00 0.00 C ATOM 811 O VAL A 56 15.546 9.971 10.267 1.00 0.00 O ATOM 812 CB VAL A 56 18.534 11.090 10.764 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.549 12.218 10.875 1.00 0.00 C ATOM 814 CG2 VAL A 56 18.042 10.681 12.145 1.00 0.00 C ATOM 0 H VAL A 56 16.024 12.276 11.273 1.00 0.00 H new ATOM 0 HA VAL A 56 17.770 11.901 8.925 1.00 0.00 H new ATOM 0 HB VAL A 56 19.022 10.228 10.309 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.370 11.907 11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.937 12.457 9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 56 19.068 13.100 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.892 10.397 12.765 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.519 11.518 12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.361 9.835 12.053 1.00 0.00 H new ATOM 824 N PRO A 57 16.806 9.574 8.439 1.00 0.00 N ATOM 825 CA PRO A 57 17.916 9.923 7.553 1.00 0.00 C ATOM 826 C PRO A 57 17.543 10.999 6.533 1.00 0.00 C ATOM 827 O PRO A 57 16.409 11.056 6.055 1.00 0.00 O ATOM 828 CB PRO A 57 18.223 8.600 6.859 1.00 0.00 C ATOM 829 CG PRO A 57 16.915 7.883 6.804 1.00 0.00 C ATOM 830 CD PRO A 57 16.093 8.372 7.974 1.00 0.00 C ATOM 0 HA PRO A 57 18.760 10.347 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.627 8.762 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.965 8.026 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.404 8.085 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.064 6.805 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.072 8.606 7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.029 7.618 8.759 1.00 0.00 H new ATOM 838 N ALA A 58 18.504 11.847 6.203 1.00 0.00 N ATOM 839 CA ALA A 58 18.279 12.925 5.255 1.00 0.00 C ATOM 840 C ALA A 58 19.310 12.888 4.140 1.00 0.00 C ATOM 841 O ALA A 58 20.514 12.866 4.396 1.00 0.00 O ATOM 842 CB ALA A 58 18.323 14.272 5.957 1.00 0.00 C ATOM 0 H ALA A 58 19.451 11.809 6.580 1.00 0.00 H new ATOM 0 HA ALA A 58 17.290 12.787 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.152 15.067 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.549 14.308 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.300 14.409 6.421 1.00 0.00 H new ATOM 848 N LEU A 59 18.836 12.874 2.909 1.00 0.00 N ATOM 849 CA LEU A 59 19.714 12.896 1.754 1.00 0.00 C ATOM 850 C LEU A 59 19.759 14.310 1.186 1.00 0.00 C ATOM 851 O LEU A 59 18.826 14.756 0.519 1.00 0.00 O ATOM 852 CB LEU A 59 19.222 11.897 0.699 1.00 0.00 C ATOM 853 CG LEU A 59 20.314 11.224 -0.143 1.00 0.00 C ATOM 854 CD1 LEU A 59 19.706 10.161 -1.044 1.00 0.00 C ATOM 855 CD2 LEU A 59 21.073 12.244 -0.974 1.00 0.00 C ATOM 0 H LEU A 59 17.842 12.847 2.682 1.00 0.00 H new ATOM 0 HA LEU A 59 20.721 12.603 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.647 11.120 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.538 12.415 0.026 1.00 0.00 H new ATOM 0 HG LEU A 59 21.020 10.750 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.492 9.692 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 59 19.212 9.405 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.977 10.622 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 59 21.840 11.738 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 59 20.382 12.754 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 21.543 12.974 -0.314 1.00 0.00 H new ATOM 867 N VAL A 60 20.833 15.019 1.485 1.00 0.00 N ATOM 868 CA VAL A 60 21.000 16.391 1.036 1.00 0.00 C ATOM 869 C VAL A 60 21.598 16.421 -0.365 1.00 0.00 C ATOM 870 O VAL A 60 22.810 16.319 -0.533 1.00 0.00 O ATOM 871 CB VAL A 60 21.910 17.190 1.995 1.00 0.00 C ATOM 872 CG1 VAL A 60 21.970 18.656 1.590 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.434 17.049 3.433 1.00 0.00 C ATOM 0 H VAL A 60 21.610 14.663 2.042 1.00 0.00 H new ATOM 0 HA VAL A 60 20.014 16.854 1.024 1.00 0.00 H new ATOM 0 HB VAL A 60 22.917 16.778 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.617 19.198 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.369 18.738 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 60 20.968 19.083 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.089 17.620 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.415 17.428 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.456 15.998 3.722 1.00 0.00 H new ATOM 883 N ILE A 61 20.746 16.565 -1.364 1.00 0.00 N ATOM 884 CA ILE A 61 21.188 16.548 -2.749 1.00 0.00 C ATOM 885 C ILE A 61 21.526 17.959 -3.205 1.00 0.00 C ATOM 886 O ILE A 61 20.628 18.794 -3.354 1.00 0.00 O ATOM 887 CB ILE A 61 20.108 15.961 -3.686 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.677 14.571 -3.204 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.628 15.891 -5.116 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.559 13.958 -4.024 1.00 0.00 C ATOM 0 H ILE A 61 19.742 16.695 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 61 22.073 15.914 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 61 19.238 16.618 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.540 13.905 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.356 14.640 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.856 15.476 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.888 16.893 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.512 15.255 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.309 12.976 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.681 14.602 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.882 13.855 -5.060 1.00 0.00 H new ATOM 902 N ASP A 62 22.826 18.232 -3.356 1.00 0.00 N ATOM 903 CA ASP A 62 23.327 19.526 -3.849 1.00 0.00 C ATOM 904 C ASP A 62 23.177 20.629 -2.800 1.00 0.00 C ATOM 905 O ASP A 62 23.905 21.620 -2.817 1.00 0.00 O ATOM 906 CB ASP A 62 22.618 19.924 -5.154 1.00 0.00 C ATOM 907 CG ASP A 62 23.002 21.308 -5.646 1.00 0.00 C ATOM 908 OD1 ASP A 62 24.034 21.436 -6.339 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.265 22.273 -5.348 1.00 0.00 O ATOM 0 H ASP A 62 23.565 17.563 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 62 24.391 19.406 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.855 19.192 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.540 19.887 -5.000 1.00 0.00 H new ATOM 914 N GLY A 63 22.255 20.438 -1.874 1.00 0.00 N ATOM 915 CA GLY A 63 21.962 21.456 -0.890 1.00 0.00 C ATOM 916 C GLY A 63 20.534 21.366 -0.390 1.00 0.00 C ATOM 917 O GLY A 63 20.163 22.029 0.581 1.00 0.00 O ATOM 0 H GLY A 63 21.699 19.588 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.648 21.356 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.133 22.441 -1.325 1.00 0.00 H new ATOM 921 N ALA A 64 19.727 20.556 -1.060 1.00 0.00 N ATOM 922 CA ALA A 64 18.355 20.322 -0.632 1.00 0.00 C ATOM 923 C ALA A 64 18.266 19.024 0.162 1.00 0.00 C ATOM 924 O ALA A 64 18.561 17.949 -0.358 1.00 0.00 O ATOM 925 CB ALA A 64 17.423 20.280 -1.834 1.00 0.00 C ATOM 0 H ALA A 64 19.999 20.049 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 64 18.044 21.144 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.402 20.104 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.471 21.231 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.728 19.475 -2.503 1.00 0.00 H new ATOM 931 N ALA A 65 17.879 19.133 1.424 1.00 0.00 N ATOM 932 CA ALA A 65 17.803 17.975 2.304 1.00 0.00 C ATOM 933 C ALA A 65 16.484 17.230 2.130 1.00 0.00 C ATOM 934 O ALA A 65 15.415 17.755 2.443 1.00 0.00 O ATOM 935 CB ALA A 65 17.980 18.405 3.753 1.00 0.00 C ATOM 0 H ALA A 65 17.612 20.014 1.863 1.00 0.00 H new ATOM 0 HA ALA A 65 18.609 17.293 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.921 17.531 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.952 18.883 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.193 19.110 4.022 1.00 0.00 H new ATOM 941 N PHE A 66 16.563 16.013 1.612 1.00 0.00 N ATOM 942 CA PHE A 66 15.388 15.173 1.459 1.00 0.00 C ATOM 943 C PHE A 66 15.376 14.087 2.524 1.00 0.00 C ATOM 944 O PHE A 66 16.177 13.156 2.487 1.00 0.00 O ATOM 945 CB PHE A 66 15.348 14.551 0.062 1.00 0.00 C ATOM 946 CG PHE A 66 15.211 15.567 -1.035 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.976 16.113 -1.338 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.318 15.981 -1.755 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.845 17.051 -2.341 1.00 0.00 C ATOM 950 CE2 PHE A 66 16.194 16.920 -2.760 1.00 0.00 C ATOM 951 CZ PHE A 66 14.956 17.456 -3.052 1.00 0.00 C ATOM 0 H PHE A 66 17.432 15.586 1.290 1.00 0.00 H new ATOM 0 HA PHE A 66 14.501 15.794 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.259 13.974 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.514 13.852 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.104 15.801 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.289 15.565 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.875 17.467 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.064 17.234 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.857 18.192 -3.836 1.00 0.00 H new ATOM 961 N HIS A 67 14.477 14.228 3.481 1.00 0.00 N ATOM 962 CA HIS A 67 14.380 13.292 4.590 1.00 0.00 C ATOM 963 C HIS A 67 13.639 12.034 4.153 1.00 0.00 C ATOM 964 O HIS A 67 12.468 12.094 3.781 1.00 0.00 O ATOM 965 CB HIS A 67 13.658 13.948 5.771 1.00 0.00 C ATOM 966 CG HIS A 67 14.273 15.246 6.207 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.875 16.481 5.742 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.274 15.487 7.086 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.631 17.410 6.337 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.498 16.860 7.166 1.00 0.00 N ATOM 0 H HIS A 67 13.798 14.988 3.513 1.00 0.00 H new ATOM 0 HA HIS A 67 15.386 13.014 4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.617 14.123 5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.655 13.256 6.613 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.134 16.656 5.063 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.814 14.733 7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.543 18.472 6.162 1.00 0.00 H new ATOM 978 N ILE A 68 14.323 10.901 4.198 1.00 0.00 N ATOM 979 CA ILE A 68 13.758 9.649 3.717 1.00 0.00 C ATOM 980 C ILE A 68 13.237 8.811 4.880 1.00 0.00 C ATOM 981 O ILE A 68 14.009 8.127 5.552 1.00 0.00 O ATOM 982 CB ILE A 68 14.796 8.830 2.919 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.391 9.679 1.792 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.157 7.566 2.355 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.504 8.989 1.033 1.00 0.00 C ATOM 0 H ILE A 68 15.272 10.823 4.563 1.00 0.00 H new ATOM 0 HA ILE A 68 12.931 9.902 3.054 1.00 0.00 H new ATOM 0 HB ILE A 68 15.601 8.537 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.598 9.946 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.773 10.609 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.902 7.000 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.776 6.955 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.335 7.838 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 68 16.876 9.651 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.316 8.746 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.123 8.073 0.582 1.00 0.00 H new ATOM 997 N ASN A 69 11.923 8.882 5.098 1.00 0.00 N ATOM 998 CA ASN A 69 11.254 8.187 6.203 1.00 0.00 C ATOM 999 C ASN A 69 11.646 8.787 7.550 1.00 0.00 C ATOM 1000 O ASN A 69 12.819 8.819 7.919 1.00 0.00 O ATOM 1001 CB ASN A 69 11.546 6.681 6.188 1.00 0.00 C ATOM 1002 CG ASN A 69 10.854 5.959 5.046 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.766 6.344 4.614 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.481 4.905 4.547 1.00 0.00 N ATOM 0 H ASN A 69 11.289 9.425 4.512 1.00 0.00 H new ATOM 0 HA ASN A 69 10.182 8.323 6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.622 6.525 6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.227 6.244 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.064 4.381 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.381 4.617 4.932 1.00 0.00 H new ATOM 1011 N PHE A 70 10.651 9.258 8.286 1.00 0.00 N ATOM 1012 CA PHE A 70 10.896 9.913 9.561 1.00 0.00 C ATOM 1013 C PHE A 70 11.313 8.900 10.624 1.00 0.00 C ATOM 1014 O PHE A 70 10.471 8.225 11.224 1.00 0.00 O ATOM 1015 CB PHE A 70 9.652 10.684 10.015 1.00 0.00 C ATOM 1016 CG PHE A 70 9.863 11.495 11.264 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.534 12.706 11.212 1.00 0.00 C ATOM 1018 CD2 PHE A 70 9.395 11.045 12.488 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.732 13.454 12.358 1.00 0.00 C ATOM 1020 CE2 PHE A 70 9.591 11.786 13.636 1.00 0.00 C ATOM 1021 CZ PHE A 70 10.261 12.993 13.571 1.00 0.00 C ATOM 0 H PHE A 70 9.667 9.199 8.022 1.00 0.00 H new ATOM 0 HA PHE A 70 11.715 10.620 9.427 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.334 11.348 9.211 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.840 9.977 10.185 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.907 13.070 10.266 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.870 10.103 12.545 1.00 0.00 H new ATOM 0 HE1 PHE A 70 11.254 14.398 12.304 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.221 11.423 14.584 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.416 13.575 14.468 1.00 0.00 H new ATOM 1031 N GLY A 71 12.616 8.777 10.825 1.00 0.00 N ATOM 1032 CA GLY A 71 13.124 7.936 11.884 1.00 0.00 C ATOM 1033 C GLY A 71 13.290 8.715 13.167 1.00 0.00 C ATOM 1034 O GLY A 71 12.639 8.423 14.171 1.00 0.00 O ATOM 0 H GLY A 71 13.332 9.247 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.443 7.101 12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.083 7.511 11.587 1.00 0.00 H new ATOM 1038 N ALA A 72 14.150 9.722 13.127 1.00 0.00 N ATOM 1039 CA ALA A 72 14.371 10.590 14.271 1.00 0.00 C ATOM 1040 C ALA A 72 14.502 12.037 13.818 1.00 0.00 C ATOM 1041 O ALA A 72 15.188 12.325 12.838 1.00 0.00 O ATOM 1042 CB ALA A 72 15.613 10.159 15.037 1.00 0.00 C ATOM 0 H ALA A 72 14.709 9.958 12.307 1.00 0.00 H new ATOM 0 HA ALA A 72 13.512 10.510 14.937 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.762 10.821 15.890 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.486 9.135 15.390 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.482 10.212 14.381 1.00 0.00 H new ATOM 1048 N GLY A 73 13.833 12.938 14.519 1.00 0.00 N ATOM 1049 CA GLY A 73 13.921 14.345 14.185 1.00 0.00 C ATOM 1050 C GLY A 73 14.980 15.049 15.003 1.00 0.00 C ATOM 1051 O GLY A 73 15.360 14.568 16.072 1.00 0.00 O ATOM 0 H GLY A 73 13.231 12.722 15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.148 14.454 13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.955 14.820 14.354 1.00 0.00 H new ATOM 1055 N ILE A 74 15.453 16.191 14.517 1.00 0.00 N ATOM 1056 CA ILE A 74 16.480 16.951 15.224 1.00 0.00 C ATOM 1057 C ILE A 74 15.969 17.401 16.591 1.00 0.00 C ATOM 1058 O ILE A 74 16.726 17.476 17.552 1.00 0.00 O ATOM 1059 CB ILE A 74 16.961 18.178 14.405 1.00 0.00 C ATOM 1060 CG1 ILE A 74 18.151 18.850 15.098 1.00 0.00 C ATOM 1061 CG2 ILE A 74 15.828 19.178 14.199 1.00 0.00 C ATOM 1062 CD1 ILE A 74 18.738 20.003 14.314 1.00 0.00 C ATOM 0 H ILE A 74 15.144 16.611 13.640 1.00 0.00 H new ATOM 0 HA ILE A 74 17.334 16.288 15.361 1.00 0.00 H new ATOM 0 HB ILE A 74 17.282 17.826 13.425 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.834 19.211 16.076 1.00 0.00 H new ATOM 0 HG13 ILE A 74 18.928 18.105 15.270 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.193 20.028 13.622 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.012 18.697 13.660 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.468 19.525 15.168 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.576 20.429 14.866 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.087 19.644 13.345 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.975 20.767 14.165 1.00 0.00 H new ATOM 1074 N ASP A 75 14.669 17.663 16.675 1.00 0.00 N ATOM 1075 CA ASP A 75 14.040 18.072 17.928 1.00 0.00 C ATOM 1076 C ASP A 75 14.157 16.973 18.973 1.00 0.00 C ATOM 1077 O ASP A 75 14.282 17.243 20.165 1.00 0.00 O ATOM 1078 CB ASP A 75 12.566 18.405 17.698 1.00 0.00 C ATOM 1079 CG ASP A 75 12.371 19.523 16.696 1.00 0.00 C ATOM 1080 OD1 ASP A 75 12.267 19.231 15.489 1.00 0.00 O ATOM 1081 OD2 ASP A 75 12.315 20.700 17.111 1.00 0.00 O ATOM 0 H ASP A 75 14.026 17.599 15.886 1.00 0.00 H new ATOM 0 HA ASP A 75 14.557 18.960 18.292 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.046 17.513 17.347 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.109 18.688 18.646 1.00 0.00 H new ATOM 1086 N ASP A 76 14.129 15.731 18.512 1.00 0.00 N ATOM 1087 CA ASP A 76 14.207 14.580 19.400 1.00 0.00 C ATOM 1088 C ASP A 76 15.638 14.355 19.873 1.00 0.00 C ATOM 1089 O ASP A 76 15.885 14.096 21.053 1.00 0.00 O ATOM 1090 CB ASP A 76 13.690 13.331 18.682 1.00 0.00 C ATOM 1091 CG ASP A 76 13.846 12.071 19.507 1.00 0.00 C ATOM 1092 OD1 ASP A 76 12.942 11.762 20.311 1.00 0.00 O ATOM 1093 OD2 ASP A 76 14.866 11.373 19.347 1.00 0.00 O ATOM 0 H ASP A 76 14.052 15.494 17.523 1.00 0.00 H new ATOM 0 HA ASP A 76 13.585 14.777 20.273 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.637 13.470 18.435 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.226 13.211 17.740 1.00 0.00 H new ATOM 1098 N LEU A 77 16.580 14.476 18.945 1.00 0.00 N ATOM 1099 CA LEU A 77 17.989 14.225 19.234 1.00 0.00 C ATOM 1100 C LEU A 77 18.616 15.391 19.996 1.00 0.00 C ATOM 1101 O LEU A 77 19.595 15.219 20.723 1.00 0.00 O ATOM 1102 CB LEU A 77 18.755 13.991 17.929 1.00 0.00 C ATOM 1103 CG LEU A 77 18.229 12.848 17.055 1.00 0.00 C ATOM 1104 CD1 LEU A 77 18.998 12.785 15.746 1.00 0.00 C ATOM 1105 CD2 LEU A 77 18.323 11.522 17.792 1.00 0.00 C ATOM 0 H LEU A 77 16.393 14.748 17.980 1.00 0.00 H new ATOM 0 HA LEU A 77 18.051 13.335 19.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.734 14.911 17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.799 13.790 18.171 1.00 0.00 H new ATOM 0 HG LEU A 77 17.180 13.041 16.832 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.612 11.968 15.136 1.00 0.00 H new ATOM 0 HD12 LEU A 77 18.879 13.726 15.209 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.055 12.616 15.953 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.944 10.723 17.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 19.363 11.320 18.047 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.729 11.570 18.704 1.00 0.00 H new ATOM 1117 N LYS A 78 18.046 16.574 19.821 1.00 0.00 N ATOM 1118 CA LYS A 78 18.579 17.787 20.429 1.00 0.00 C ATOM 1119 C LYS A 78 17.672 18.245 21.574 1.00 0.00 C ATOM 1120 O LYS A 78 17.722 19.394 22.017 1.00 0.00 O ATOM 1121 CB LYS A 78 18.705 18.871 19.348 1.00 0.00 C ATOM 1122 CG LYS A 78 19.514 20.091 19.755 1.00 0.00 C ATOM 1123 CD LYS A 78 19.710 21.033 18.577 1.00 0.00 C ATOM 1124 CE LYS A 78 20.444 22.297 18.986 1.00 0.00 C ATOM 1125 NZ LYS A 78 19.614 23.160 19.868 1.00 0.00 N ATOM 0 H LYS A 78 17.208 16.721 19.259 1.00 0.00 H new ATOM 0 HA LYS A 78 19.566 17.592 20.849 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.162 18.429 18.463 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.705 19.196 19.062 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.006 20.616 20.564 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.484 19.777 20.139 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.271 20.524 17.793 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.740 21.296 18.156 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.366 22.030 19.503 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.728 22.856 18.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.070 24.089 19.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.671 23.283 19.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.520 22.713 20.802 1.00 0.00 H new ATOM 1177 N ALA B 2 14.830 -2.774 -15.343 1.00 0.00 N ATOM 1178 CA ALA B 2 14.431 -1.440 -14.932 1.00 0.00 C ATOM 1179 C ALA B 2 13.285 -1.541 -13.941 1.00 0.00 C ATOM 1180 O ALA B 2 12.115 -1.610 -14.328 1.00 0.00 O ATOM 1181 CB ALA B 2 14.039 -0.594 -16.134 1.00 0.00 C ATOM 0 HA ALA B 2 15.276 -0.948 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA B 2 13.744 0.400 -15.799 1.00 0.00 H new ATOM 0 HB2 ALA B 2 14.888 -0.511 -16.813 1.00 0.00 H new ATOM 0 HB3 ALA B 2 13.204 -1.064 -16.653 1.00 0.00 H new ATOM 1187 N SER B 3 13.634 -1.596 -12.666 1.00 0.00 N ATOM 1188 CA SER B 3 12.657 -1.787 -11.608 1.00 0.00 C ATOM 1189 C SER B 3 11.691 -0.610 -11.527 1.00 0.00 C ATOM 1190 O SER B 3 12.028 0.518 -11.895 1.00 0.00 O ATOM 1191 CB SER B 3 13.370 -1.981 -10.272 1.00 0.00 C ATOM 1192 OG SER B 3 14.341 -3.010 -10.362 1.00 0.00 O ATOM 0 H SER B 3 14.596 -1.510 -12.337 1.00 0.00 H new ATOM 0 HA SER B 3 12.075 -2.680 -11.838 1.00 0.00 H new ATOM 0 HB2 SER B 3 13.849 -1.049 -9.972 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.642 -2.229 -9.499 1.00 0.00 H new ATOM 0 HG SER B 3 14.787 -3.116 -9.496 1.00 0.00 H new ATOM 1198 N LYS B 4 10.485 -0.898 -11.066 1.00 0.00 N ATOM 1199 CA LYS B 4 9.438 0.100 -10.924 1.00 0.00 C ATOM 1200 C LYS B 4 9.850 1.199 -9.946 1.00 0.00 C ATOM 1201 O LYS B 4 10.469 0.928 -8.923 1.00 0.00 O ATOM 1202 CB LYS B 4 8.163 -0.583 -10.422 1.00 0.00 C ATOM 1203 CG LYS B 4 6.924 0.300 -10.426 1.00 0.00 C ATOM 1204 CD LYS B 4 6.196 0.257 -11.765 1.00 0.00 C ATOM 1205 CE LYS B 4 7.004 0.894 -12.887 1.00 0.00 C ATOM 1206 NZ LYS B 4 6.339 0.729 -14.205 1.00 0.00 N ATOM 0 H LYS B 4 10.204 -1.835 -10.778 1.00 0.00 H new ATOM 0 HA LYS B 4 9.262 0.562 -11.896 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.969 -1.460 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.334 -0.940 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.247 -0.022 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.210 1.328 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.976 -0.779 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.240 0.772 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS B 4 7.142 1.955 -12.679 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.996 0.445 -12.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.965 0.201 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 5.449 0.206 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 6.137 1.665 -14.611 1.00 0.00 H new ATOM 1220 N ALA B 5 9.524 2.436 -10.275 1.00 0.00 N ATOM 1221 CA ALA B 5 9.720 3.547 -9.358 1.00 0.00 C ATOM 1222 C ALA B 5 8.555 4.519 -9.473 1.00 0.00 C ATOM 1223 O ALA B 5 8.513 5.349 -10.377 1.00 0.00 O ATOM 1224 CB ALA B 5 11.042 4.249 -9.634 1.00 0.00 C ATOM 0 H ALA B 5 9.120 2.698 -11.174 1.00 0.00 H new ATOM 0 HA ALA B 5 9.757 3.162 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.167 5.077 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.862 3.542 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.045 4.632 -10.655 1.00 0.00 H new ATOM 1230 N ILE B 6 7.595 4.392 -8.573 1.00 0.00 N ATOM 1231 CA ILE B 6 6.385 5.199 -8.635 1.00 0.00 C ATOM 1232 C ILE B 6 6.420 6.303 -7.589 1.00 0.00 C ATOM 1233 O ILE B 6 6.466 6.034 -6.391 1.00 0.00 O ATOM 1234 CB ILE B 6 5.120 4.336 -8.425 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.044 3.226 -9.478 1.00 0.00 C ATOM 1236 CG2 ILE B 6 3.868 5.200 -8.475 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.957 3.735 -10.903 1.00 0.00 C ATOM 0 H ILE B 6 7.628 3.739 -7.790 1.00 0.00 H new ATOM 0 HA ILE B 6 6.344 5.643 -9.629 1.00 0.00 H new ATOM 0 HB ILE B 6 5.182 3.874 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.923 2.588 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.174 2.602 -9.272 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.988 4.574 -8.325 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.915 5.954 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.803 5.691 -9.446 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.907 2.889 -11.589 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.063 4.348 -11.016 1.00 0.00 H new ATOM 0 HD13 ILE B 6 5.839 4.334 -11.130 1.00 0.00 H new ATOM 1249 N PHE B 7 6.404 7.543 -8.045 1.00 0.00 N ATOM 1250 CA PHE B 7 6.439 8.681 -7.141 1.00 0.00 C ATOM 1251 C PHE B 7 5.039 9.260 -6.964 1.00 0.00 C ATOM 1252 O PHE B 7 4.393 9.647 -7.936 1.00 0.00 O ATOM 1253 CB PHE B 7 7.399 9.751 -7.671 1.00 0.00 C ATOM 1254 CG PHE B 7 7.541 10.939 -6.763 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.190 10.820 -5.545 1.00 0.00 C ATOM 1256 CD2 PHE B 7 7.032 12.172 -7.130 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.321 11.908 -4.706 1.00 0.00 C ATOM 1258 CE2 PHE B 7 7.162 13.264 -6.295 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.809 13.133 -5.082 1.00 0.00 C ATOM 0 H PHE B 7 6.367 7.788 -9.034 1.00 0.00 H new ATOM 0 HA PHE B 7 6.799 8.344 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.381 9.302 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE B 7 7.049 10.090 -8.646 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.598 9.865 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE B 7 6.528 12.281 -8.079 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.824 11.801 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE B 7 6.758 14.221 -6.591 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.914 13.987 -4.429 1.00 0.00 H new ATOM 1269 N TYR B 8 4.573 9.301 -5.722 1.00 0.00 N ATOM 1270 CA TYR B 8 3.259 9.851 -5.408 1.00 0.00 C ATOM 1271 C TYR B 8 3.397 11.250 -4.819 1.00 0.00 C ATOM 1272 O TYR B 8 4.174 11.457 -3.884 1.00 0.00 O ATOM 1273 CB TYR B 8 2.518 8.965 -4.397 1.00 0.00 C ATOM 1274 CG TYR B 8 2.034 7.634 -4.935 1.00 0.00 C ATOM 1275 CD1 TYR B 8 2.848 6.508 -4.910 1.00 0.00 C ATOM 1276 CD2 TYR B 8 0.745 7.501 -5.440 1.00 0.00 C ATOM 1277 CE1 TYR B 8 2.392 5.287 -5.376 1.00 0.00 C ATOM 1278 CE2 TYR B 8 0.285 6.285 -5.911 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.111 5.182 -5.876 1.00 0.00 C ATOM 1280 OH TYR B 8 0.651 3.965 -6.331 1.00 0.00 O ATOM 0 H TYR B 8 5.088 8.958 -4.911 1.00 0.00 H new ATOM 0 HA TYR B 8 2.690 9.892 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.179 8.777 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.660 9.518 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR B 8 3.852 6.587 -4.521 1.00 0.00 H new ATOM 0 HD2 TYR B 8 0.093 8.361 -5.465 1.00 0.00 H new ATOM 0 HE1 TYR B 8 3.036 4.421 -5.348 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -0.717 6.200 -6.305 1.00 0.00 H new ATOM 0 HH TYR B 8 -0.110 4.107 -6.932 1.00 0.00 H new ATOM 1290 N HIS B 9 2.655 12.209 -5.361 1.00 0.00 N ATOM 1291 CA HIS B 9 2.611 13.543 -4.775 1.00 0.00 C ATOM 1292 C HIS B 9 1.262 14.207 -5.037 1.00 0.00 C ATOM 1293 O HIS B 9 0.439 13.678 -5.782 1.00 0.00 O ATOM 1294 CB HIS B 9 3.768 14.422 -5.274 1.00 0.00 C ATOM 1295 CG HIS B 9 3.680 14.855 -6.708 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.974 15.972 -7.074 1.00 0.00 N ATOM 1297 CD2 HIS B 9 4.281 14.334 -7.801 1.00 0.00 C ATOM 1298 CE1 HIS B 9 3.165 16.109 -8.374 1.00 0.00 C ATOM 1299 NE2 HIS B 9 3.955 15.141 -8.863 1.00 0.00 N ATOM 0 H HIS B 9 2.082 12.090 -6.196 1.00 0.00 H new ATOM 0 HA HIS B 9 2.732 13.433 -3.697 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.821 15.312 -4.647 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.701 13.877 -5.134 1.00 0.00 H new ATOM 0 HD2 HIS B 9 4.901 13.450 -7.833 1.00 0.00 H new ATOM 0 HE1 HIS B 9 2.738 16.902 -8.970 1.00 0.00 H new ATOM 0 HE2 HIS B 9 4.254 15.027 -9.832 1.00 0.00 H new ATOM 1307 N ALA B 10 1.040 15.366 -4.419 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.260 16.026 -4.479 1.00 0.00 C ATOM 1309 C ALA B 10 -0.192 17.378 -5.192 1.00 0.00 C ATOM 1310 O ALA B 10 -1.222 18.002 -5.443 1.00 0.00 O ATOM 1311 CB ALA B 10 -0.822 16.198 -3.075 1.00 0.00 C ATOM 0 H ALA B 10 1.742 15.865 -3.873 1.00 0.00 H new ATOM 0 HA ALA B 10 -0.924 15.388 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -1.792 16.691 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -0.938 15.220 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.139 16.806 -2.482 1.00 0.00 H new ATOM 1317 N GLY B 11 1.012 17.829 -5.520 1.00 0.00 N ATOM 1318 CA GLY B 11 1.161 19.104 -6.210 1.00 0.00 C ATOM 1319 C GLY B 11 1.576 20.237 -5.288 1.00 0.00 C ATOM 1320 O GLY B 11 1.798 21.359 -5.737 1.00 0.00 O ATOM 0 H GLY B 11 1.886 17.341 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY B 11 1.903 18.997 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY B 11 0.217 19.362 -6.691 1.00 0.00 H new ATOM 1324 N CYS B 12 1.681 19.940 -3.998 1.00 0.00 N ATOM 1325 CA CYS B 12 2.107 20.922 -3.004 1.00 0.00 C ATOM 1326 C CYS B 12 3.570 21.325 -3.238 1.00 0.00 C ATOM 1327 O CYS B 12 4.294 20.631 -3.950 1.00 0.00 O ATOM 1328 CB CYS B 12 1.942 20.325 -1.603 1.00 0.00 C ATOM 1329 SG CYS B 12 0.275 19.715 -1.257 1.00 0.00 S ATOM 0 H CYS B 12 1.475 19.019 -3.612 1.00 0.00 H new ATOM 0 HA CYS B 12 1.489 21.815 -3.095 1.00 0.00 H new ATOM 0 HB2 CYS B 12 2.650 19.505 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.202 21.082 -0.863 1.00 0.00 H new ATOM 0 HG CYS B 12 0.233 19.227 -0.053 1.00 0.00 H new ATOM 1335 N PRO B 13 4.030 22.445 -2.639 1.00 0.00 N ATOM 1336 CA PRO B 13 5.418 22.920 -2.773 1.00 0.00 C ATOM 1337 C PRO B 13 6.450 21.819 -2.516 1.00 0.00 C ATOM 1338 O PRO B 13 7.429 21.691 -3.251 1.00 0.00 O ATOM 1339 CB PRO B 13 5.536 24.022 -1.705 1.00 0.00 C ATOM 1340 CG PRO B 13 4.283 23.937 -0.894 1.00 0.00 C ATOM 1341 CD PRO B 13 3.240 23.356 -1.801 1.00 0.00 C ATOM 0 HA PRO B 13 5.622 23.266 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO B 13 6.417 23.870 -1.081 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.638 25.004 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.429 23.309 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO B 13 3.983 24.922 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.465 22.829 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.741 24.124 -2.392 1.00 0.00 H new ATOM 1349 N VAL B 14 6.208 21.016 -1.481 1.00 0.00 N ATOM 1350 CA VAL B 14 7.098 19.910 -1.130 1.00 0.00 C ATOM 1351 C VAL B 14 7.204 18.908 -2.281 1.00 0.00 C ATOM 1352 O VAL B 14 8.262 18.326 -2.524 1.00 0.00 O ATOM 1353 CB VAL B 14 6.601 19.176 0.138 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.565 18.069 0.544 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.402 20.158 1.283 1.00 0.00 C ATOM 0 H VAL B 14 5.399 21.112 -0.868 1.00 0.00 H new ATOM 0 HA VAL B 14 8.081 20.336 -0.932 1.00 0.00 H new ATOM 0 HB VAL B 14 5.640 18.717 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.191 17.570 1.438 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.650 17.345 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.545 18.498 0.752 1.00 0.00 H new ATOM 0 HG21 VAL B 14 6.052 19.622 2.165 1.00 0.00 H new ATOM 0 HG22 VAL B 14 7.348 20.650 1.509 1.00 0.00 H new ATOM 0 HG23 VAL B 14 5.663 20.906 0.996 1.00 0.00 H new ATOM 1365 N CYS B 15 6.104 18.738 -3.005 1.00 0.00 N ATOM 1366 CA CYS B 15 6.048 17.795 -4.113 1.00 0.00 C ATOM 1367 C CYS B 15 6.969 18.245 -5.240 1.00 0.00 C ATOM 1368 O CYS B 15 7.666 17.433 -5.845 1.00 0.00 O ATOM 1369 CB CYS B 15 4.615 17.684 -4.631 1.00 0.00 C ATOM 1370 SG CYS B 15 3.390 17.374 -3.337 1.00 0.00 S ATOM 0 H CYS B 15 5.234 19.245 -2.842 1.00 0.00 H new ATOM 0 HA CYS B 15 6.379 16.819 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.355 18.606 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.566 16.879 -5.365 1.00 0.00 H new ATOM 0 HG CYS B 15 3.890 17.695 -2.181 1.00 0.00 H new ATOM 1376 N VAL B 16 6.975 19.550 -5.494 1.00 0.00 N ATOM 1377 CA VAL B 16 7.785 20.128 -6.559 1.00 0.00 C ATOM 1378 C VAL B 16 9.267 19.852 -6.322 1.00 0.00 C ATOM 1379 O VAL B 16 9.960 19.354 -7.206 1.00 0.00 O ATOM 1380 CB VAL B 16 7.561 21.652 -6.667 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.371 22.243 -7.813 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.083 21.964 -6.839 1.00 0.00 C ATOM 0 H VAL B 16 6.423 20.231 -4.972 1.00 0.00 H new ATOM 0 HA VAL B 16 7.476 19.659 -7.493 1.00 0.00 H new ATOM 0 HB VAL B 16 7.905 22.111 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.195 23.317 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.431 22.057 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.067 21.778 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.945 23.043 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.714 21.488 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.529 21.586 -5.980 1.00 0.00 H new ATOM 1392 N SER B 17 9.734 20.161 -5.119 1.00 0.00 N ATOM 1393 CA SER B 17 11.133 19.963 -4.762 1.00 0.00 C ATOM 1394 C SER B 17 11.535 18.495 -4.917 1.00 0.00 C ATOM 1395 O SER B 17 12.596 18.182 -5.468 1.00 0.00 O ATOM 1396 CB SER B 17 11.362 20.424 -3.324 1.00 0.00 C ATOM 1397 OG SER B 17 10.867 21.738 -3.132 1.00 0.00 O ATOM 0 H SER B 17 9.161 20.552 -4.371 1.00 0.00 H new ATOM 0 HA SER B 17 11.753 20.554 -5.436 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.867 19.740 -2.635 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.427 20.394 -3.093 1.00 0.00 H new ATOM 0 HG SER B 17 11.022 22.014 -2.204 1.00 0.00 H new ATOM 1403 N ALA B 18 10.673 17.600 -4.449 1.00 0.00 N ATOM 1404 CA ALA B 18 10.948 16.172 -4.496 1.00 0.00 C ATOM 1405 C ALA B 18 10.952 15.650 -5.932 1.00 0.00 C ATOM 1406 O ALA B 18 11.883 14.954 -6.341 1.00 0.00 O ATOM 1407 CB ALA B 18 9.936 15.414 -3.651 1.00 0.00 C ATOM 0 H ALA B 18 9.774 17.841 -4.031 1.00 0.00 H new ATOM 0 HA ALA B 18 11.944 16.007 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.153 14.347 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA B 18 9.997 15.755 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA B 18 8.932 15.596 -4.035 1.00 0.00 H new ATOM 1413 N GLU B 19 9.923 16.000 -6.698 1.00 0.00 N ATOM 1414 CA GLU B 19 9.804 15.538 -8.078 1.00 0.00 C ATOM 1415 C GLU B 19 10.946 16.088 -8.930 1.00 0.00 C ATOM 1416 O GLU B 19 11.413 15.434 -9.861 1.00 0.00 O ATOM 1417 CB GLU B 19 8.464 15.970 -8.682 1.00 0.00 C ATOM 1418 CG GLU B 19 8.188 15.339 -10.036 1.00 0.00 C ATOM 1419 CD GLU B 19 7.119 16.063 -10.830 1.00 0.00 C ATOM 1420 OE1 GLU B 19 5.921 15.754 -10.654 1.00 0.00 O ATOM 1421 OE2 GLU B 19 7.481 16.931 -11.654 1.00 0.00 O ATOM 0 H GLU B 19 9.160 16.601 -6.387 1.00 0.00 H new ATOM 0 HA GLU B 19 9.856 14.449 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.661 15.706 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU B 19 8.452 17.055 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU B 19 9.111 15.321 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.883 14.303 -9.890 1.00 0.00 H new ATOM 1428 N GLN B 20 11.388 17.290 -8.604 1.00 0.00 N ATOM 1429 CA GLN B 20 12.454 17.943 -9.347 1.00 0.00 C ATOM 1430 C GLN B 20 13.788 17.230 -9.147 1.00 0.00 C ATOM 1431 O GLN B 20 14.359 16.683 -10.091 1.00 0.00 O ATOM 1432 CB GLN B 20 12.569 19.404 -8.906 1.00 0.00 C ATOM 1433 CG GLN B 20 13.673 20.180 -9.602 1.00 0.00 C ATOM 1434 CD GLN B 20 13.825 21.579 -9.041 1.00 0.00 C ATOM 1435 OE1 GLN B 20 14.587 21.806 -8.100 1.00 0.00 O ATOM 1436 NE2 GLN B 20 13.098 22.526 -9.611 1.00 0.00 N ATOM 0 H GLN B 20 11.023 17.837 -7.825 1.00 0.00 H new ATOM 0 HA GLN B 20 12.207 17.899 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN B 20 11.618 19.903 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.742 19.434 -7.830 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.616 19.643 -9.496 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.457 20.239 -10.669 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.479 22.295 -10.388 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.156 23.487 -9.273 1.00 0.00 H new ATOM 1445 N ALA B 21 14.267 17.217 -7.912 1.00 0.00 N ATOM 1446 CA ALA B 21 15.609 16.730 -7.625 1.00 0.00 C ATOM 1447 C ALA B 21 15.684 15.208 -7.596 1.00 0.00 C ATOM 1448 O ALA B 21 16.546 14.617 -8.241 1.00 0.00 O ATOM 1449 CB ALA B 21 16.109 17.310 -6.312 1.00 0.00 C ATOM 0 H ALA B 21 13.748 17.537 -7.094 1.00 0.00 H new ATOM 0 HA ALA B 21 16.253 17.065 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA B 21 17.113 16.938 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA B 21 16.132 18.398 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.441 17.011 -5.504 1.00 0.00 H new ATOM 1455 N VAL B 22 14.773 14.572 -6.869 1.00 0.00 N ATOM 1456 CA VAL B 22 14.862 13.134 -6.632 1.00 0.00 C ATOM 1457 C VAL B 22 14.631 12.333 -7.913 1.00 0.00 C ATOM 1458 O VAL B 22 15.336 11.358 -8.176 1.00 0.00 O ATOM 1459 CB VAL B 22 13.867 12.670 -5.547 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.046 11.189 -5.252 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.037 13.492 -4.278 1.00 0.00 C ATOM 0 H VAL B 22 13.968 15.025 -6.435 1.00 0.00 H new ATOM 0 HA VAL B 22 15.876 12.944 -6.280 1.00 0.00 H new ATOM 0 HB VAL B 22 12.856 12.824 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.335 10.882 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL B 22 13.870 10.613 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.061 11.008 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.327 13.150 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.052 13.372 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL B 22 13.854 14.544 -4.498 1.00 0.00 H new ATOM 1471 N ALA B 23 13.663 12.755 -8.718 1.00 0.00 N ATOM 1472 CA ALA B 23 13.332 12.036 -9.945 1.00 0.00 C ATOM 1473 C ALA B 23 14.454 12.145 -10.978 1.00 0.00 C ATOM 1474 O ALA B 23 14.567 11.309 -11.870 1.00 0.00 O ATOM 1475 CB ALA B 23 12.020 12.540 -10.525 1.00 0.00 C ATOM 0 H ALA B 23 13.096 13.585 -8.546 1.00 0.00 H new ATOM 0 HA ALA B 23 13.217 10.983 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.792 11.991 -11.439 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.220 12.388 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.107 13.603 -10.752 1.00 0.00 H new ATOM 1481 N ASN B 24 15.281 13.178 -10.852 1.00 0.00 N ATOM 1482 CA ASN B 24 16.430 13.339 -11.740 1.00 0.00 C ATOM 1483 C ASN B 24 17.704 12.826 -11.078 1.00 0.00 C ATOM 1484 O ASN B 24 18.774 12.818 -11.687 1.00 0.00 O ATOM 1485 CB ASN B 24 16.607 14.801 -12.162 1.00 0.00 C ATOM 1486 CG ASN B 24 15.597 15.229 -13.210 1.00 0.00 C ATOM 1487 OD1 ASN B 24 15.822 15.056 -14.410 1.00 0.00 O ATOM 1488 ND2 ASN B 24 14.491 15.809 -12.769 1.00 0.00 N ATOM 0 H ASN B 24 15.180 13.911 -10.150 1.00 0.00 H new ATOM 0 HA ASN B 24 16.238 12.747 -12.635 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.511 15.443 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.614 14.944 -12.553 1.00 0.00 H new ATOM 0 HD21 ASN B 24 13.786 16.132 -13.431 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.345 15.933 -11.767 1.00 0.00 H new ATOM 1495 N ALA B 25 17.583 12.410 -9.824 1.00 0.00 N ATOM 1496 CA ALA B 25 18.697 11.813 -9.104 1.00 0.00 C ATOM 1497 C ALA B 25 18.719 10.312 -9.349 1.00 0.00 C ATOM 1498 O ALA B 25 19.772 9.722 -9.588 1.00 0.00 O ATOM 1499 CB ALA B 25 18.601 12.117 -7.616 1.00 0.00 C ATOM 0 H ALA B 25 16.720 12.476 -9.284 1.00 0.00 H new ATOM 0 HA ALA B 25 19.628 12.244 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.444 11.661 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.621 13.196 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.669 11.712 -7.221 1.00 0.00 H new ATOM 1505 N ILE B 26 17.541 9.703 -9.293 1.00 0.00 N ATOM 1506 CA ILE B 26 17.392 8.303 -9.646 1.00 0.00 C ATOM 1507 C ILE B 26 17.442 8.167 -11.162 1.00 0.00 C ATOM 1508 O ILE B 26 16.697 8.837 -11.873 1.00 0.00 O ATOM 1509 CB ILE B 26 16.066 7.715 -9.113 1.00 0.00 C ATOM 1510 CG1 ILE B 26 15.999 7.859 -7.589 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.926 6.252 -9.521 1.00 0.00 C ATOM 1512 CD1 ILE B 26 14.703 7.362 -6.984 1.00 0.00 C ATOM 0 H ILE B 26 16.676 10.160 -9.006 1.00 0.00 H new ATOM 0 HA ILE B 26 18.207 7.745 -9.186 1.00 0.00 H new ATOM 0 HB ILE B 26 15.237 8.271 -9.551 1.00 0.00 H new ATOM 0 HG12 ILE B 26 16.830 7.311 -7.145 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.133 8.908 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.986 5.855 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.935 6.175 -10.608 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.757 5.679 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE B 26 14.731 7.497 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE B 26 13.868 7.926 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.576 6.304 -7.214 1.00 0.00 H new ATOM 1524 N ASP B 27 18.334 7.317 -11.650 1.00 0.00 N ATOM 1525 CA ASP B 27 18.561 7.207 -13.084 1.00 0.00 C ATOM 1526 C ASP B 27 17.369 6.563 -13.788 1.00 0.00 C ATOM 1527 O ASP B 27 16.951 5.456 -13.437 1.00 0.00 O ATOM 1528 CB ASP B 27 19.831 6.409 -13.368 1.00 0.00 C ATOM 1529 CG ASP B 27 20.267 6.545 -14.811 1.00 0.00 C ATOM 1530 OD1 ASP B 27 21.031 7.488 -15.110 1.00 0.00 O ATOM 1531 OD2 ASP B 27 19.842 5.727 -15.648 1.00 0.00 O ATOM 0 H ASP B 27 18.909 6.697 -11.079 1.00 0.00 H new ATOM 0 HA ASP B 27 18.683 8.217 -13.476 1.00 0.00 H new ATOM 0 HB2 ASP B 27 20.631 6.753 -12.712 1.00 0.00 H new ATOM 0 HB3 ASP B 27 19.659 5.358 -13.137 1.00 0.00 H new ATOM 1536 N PRO B 28 16.815 7.253 -14.801 1.00 0.00 N ATOM 1537 CA PRO B 28 15.632 6.790 -15.537 1.00 0.00 C ATOM 1538 C PRO B 28 15.908 5.571 -16.416 1.00 0.00 C ATOM 1539 O PRO B 28 14.981 4.948 -16.933 1.00 0.00 O ATOM 1540 CB PRO B 28 15.257 7.994 -16.403 1.00 0.00 C ATOM 1541 CG PRO B 28 16.528 8.749 -16.574 1.00 0.00 C ATOM 1542 CD PRO B 28 17.297 8.554 -15.299 1.00 0.00 C ATOM 0 HA PRO B 28 14.844 6.466 -14.857 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.852 7.679 -17.364 1.00 0.00 H new ATOM 0 HB3 PRO B 28 14.495 8.606 -15.921 1.00 0.00 H new ATOM 0 HG2 PRO B 28 17.091 8.378 -17.430 1.00 0.00 H new ATOM 0 HG3 PRO B 28 16.333 9.806 -16.755 1.00 0.00 H new ATOM 0 HD2 PRO B 28 18.372 8.542 -15.477 1.00 0.00 H new ATOM 0 HD3 PRO B 28 17.101 9.354 -14.586 1.00 0.00 H new ATOM 1550 N SER B 29 17.178 5.237 -16.599 1.00 0.00 N ATOM 1551 CA SER B 29 17.543 4.050 -17.353 1.00 0.00 C ATOM 1552 C SER B 29 17.874 2.913 -16.391 1.00 0.00 C ATOM 1553 O SER B 29 18.041 1.762 -16.792 1.00 0.00 O ATOM 1554 CB SER B 29 18.731 4.345 -18.267 1.00 0.00 C ATOM 1555 OG SER B 29 18.455 5.448 -19.119 1.00 0.00 O ATOM 0 H SER B 29 17.969 5.770 -16.237 1.00 0.00 H new ATOM 0 HA SER B 29 16.701 3.750 -17.977 1.00 0.00 H new ATOM 0 HB2 SER B 29 19.614 4.558 -17.665 1.00 0.00 H new ATOM 0 HB3 SER B 29 18.960 3.465 -18.868 1.00 0.00 H new ATOM 0 HG SER B 29 19.230 5.619 -19.694 1.00 0.00 H new ATOM 1561 N LYS B 30 17.958 3.259 -15.115 1.00 0.00 N ATOM 1562 CA LYS B 30 18.234 2.296 -14.065 1.00 0.00 C ATOM 1563 C LYS B 30 16.916 1.794 -13.485 1.00 0.00 C ATOM 1564 O LYS B 30 16.719 0.595 -13.288 1.00 0.00 O ATOM 1565 CB LYS B 30 19.073 2.962 -12.973 1.00 0.00 C ATOM 1566 CG LYS B 30 19.769 1.997 -12.031 1.00 0.00 C ATOM 1567 CD LYS B 30 20.414 2.742 -10.873 1.00 0.00 C ATOM 1568 CE LYS B 30 21.346 1.848 -10.076 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.585 1.535 -10.831 1.00 0.00 N ATOM 0 H LYS B 30 17.837 4.215 -14.781 1.00 0.00 H new ATOM 0 HA LYS B 30 18.789 1.451 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.825 3.593 -13.446 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.429 3.618 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.049 1.273 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.528 1.435 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.971 3.597 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.638 3.135 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.606 2.338 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.832 0.922 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.304 1.162 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.377 0.824 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 22.944 2.400 -11.283 1.00 0.00 H new ATOM 1583 N TYR B 31 16.014 2.731 -13.221 1.00 0.00 N ATOM 1584 CA TYR B 31 14.684 2.413 -12.722 1.00 0.00 C ATOM 1585 C TYR B 31 13.636 3.113 -13.576 1.00 0.00 C ATOM 1586 O TYR B 31 13.888 4.192 -14.111 1.00 0.00 O ATOM 1587 CB TYR B 31 14.525 2.850 -11.261 1.00 0.00 C ATOM 1588 CG TYR B 31 15.417 2.112 -10.287 1.00 0.00 C ATOM 1589 CD1 TYR B 31 16.712 2.541 -10.040 1.00 0.00 C ATOM 1590 CD2 TYR B 31 14.960 0.988 -9.611 1.00 0.00 C ATOM 1591 CE1 TYR B 31 17.527 1.874 -9.149 1.00 0.00 C ATOM 1592 CE2 TYR B 31 15.771 0.315 -8.716 1.00 0.00 C ATOM 1593 CZ TYR B 31 17.055 0.762 -8.490 1.00 0.00 C ATOM 1594 OH TYR B 31 17.869 0.097 -7.600 1.00 0.00 O ATOM 0 H TYR B 31 16.184 3.729 -13.346 1.00 0.00 H new ATOM 0 HA TYR B 31 14.548 1.333 -12.777 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.734 3.917 -11.189 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.486 2.708 -10.963 1.00 0.00 H new ATOM 0 HD1 TYR B 31 17.089 3.413 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR B 31 13.955 0.634 -9.787 1.00 0.00 H new ATOM 0 HE1 TYR B 31 18.533 2.224 -8.969 1.00 0.00 H new ATOM 0 HE2 TYR B 31 15.400 -0.556 -8.197 1.00 0.00 H new ATOM 0 HH TYR B 31 17.384 -0.665 -7.220 1.00 0.00 H new ATOM 1604 N THR B 32 12.469 2.505 -13.705 1.00 0.00 N ATOM 1605 CA THR B 32 11.388 3.112 -14.460 1.00 0.00 C ATOM 1606 C THR B 32 10.576 4.036 -13.560 1.00 0.00 C ATOM 1607 O THR B 32 9.647 3.600 -12.873 1.00 0.00 O ATOM 1608 CB THR B 32 10.466 2.050 -15.087 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.243 1.151 -15.892 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.387 2.698 -15.943 1.00 0.00 C ATOM 0 H THR B 32 12.247 1.596 -13.299 1.00 0.00 H new ATOM 0 HA THR B 32 11.833 3.690 -15.270 1.00 0.00 H new ATOM 0 HB THR B 32 9.981 1.500 -14.281 1.00 0.00 H new ATOM 0 HG1 THR B 32 11.456 0.348 -15.373 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.751 1.925 -16.373 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.783 3.363 -15.325 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.854 3.271 -16.744 1.00 0.00 H new ATOM 1618 N VAL B 33 10.957 5.304 -13.547 1.00 0.00 N ATOM 1619 CA VAL B 33 10.320 6.290 -12.693 1.00 0.00 C ATOM 1620 C VAL B 33 9.066 6.855 -13.351 1.00 0.00 C ATOM 1621 O VAL B 33 9.137 7.507 -14.395 1.00 0.00 O ATOM 1622 CB VAL B 33 11.281 7.450 -12.356 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.640 8.411 -11.366 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.600 6.918 -11.814 1.00 0.00 C ATOM 0 H VAL B 33 11.711 5.675 -14.125 1.00 0.00 H new ATOM 0 HA VAL B 33 10.045 5.780 -11.770 1.00 0.00 H new ATOM 0 HB VAL B 33 11.488 7.997 -13.276 1.00 0.00 H new ATOM 0 HG11 VAL B 33 11.335 9.221 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.728 8.824 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.397 7.878 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.262 7.753 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.415 6.341 -10.908 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.069 6.279 -12.562 1.00 0.00 H new ATOM 1634 N GLU B 34 7.922 6.589 -12.743 1.00 0.00 N ATOM 1635 CA GLU B 34 6.659 7.140 -13.202 1.00 0.00 C ATOM 1636 C GLU B 34 6.012 7.942 -12.082 1.00 0.00 C ATOM 1637 O GLU B 34 5.980 7.511 -10.928 1.00 0.00 O ATOM 1638 CB GLU B 34 5.718 6.036 -13.698 1.00 0.00 C ATOM 1639 CG GLU B 34 6.179 5.401 -15.002 1.00 0.00 C ATOM 1640 CD GLU B 34 5.212 4.362 -15.534 1.00 0.00 C ATOM 1641 OE1 GLU B 34 4.226 4.742 -16.204 1.00 0.00 O ATOM 1642 OE2 GLU B 34 5.437 3.158 -15.299 1.00 0.00 O ATOM 0 H GLU B 34 7.843 5.989 -11.922 1.00 0.00 H new ATOM 0 HA GLU B 34 6.855 7.803 -14.045 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.638 5.264 -12.933 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.720 6.452 -13.836 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.313 6.181 -15.751 1.00 0.00 H new ATOM 0 HG3 GLU B 34 7.153 4.937 -14.848 1.00 0.00 H new ATOM 1649 N ILE B 35 5.522 9.117 -12.428 1.00 0.00 N ATOM 1650 CA ILE B 35 4.968 10.036 -11.452 1.00 0.00 C ATOM 1651 C ILE B 35 3.452 9.914 -11.405 1.00 0.00 C ATOM 1652 O ILE B 35 2.776 10.034 -12.429 1.00 0.00 O ATOM 1653 CB ILE B 35 5.360 11.487 -11.788 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.872 11.584 -12.011 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.924 12.424 -10.671 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.325 12.921 -12.557 1.00 0.00 C ATOM 0 H ILE B 35 5.497 9.460 -13.388 1.00 0.00 H new ATOM 0 HA ILE B 35 5.377 9.777 -10.475 1.00 0.00 H new ATOM 0 HB ILE B 35 4.853 11.786 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.382 11.397 -11.066 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.179 10.798 -12.700 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.208 13.446 -10.922 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.842 12.367 -10.550 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.409 12.131 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.407 12.913 -12.688 1.00 0.00 H new ATOM 0 HD12 ILE B 35 6.844 13.103 -13.518 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.050 13.711 -11.858 1.00 0.00 H new ATOM 1668 N VAL B 36 2.925 9.673 -10.218 1.00 0.00 N ATOM 1669 CA VAL B 36 1.495 9.496 -10.033 1.00 0.00 C ATOM 1670 C VAL B 36 0.955 10.518 -9.036 1.00 0.00 C ATOM 1671 O VAL B 36 1.480 10.664 -7.928 1.00 0.00 O ATOM 1672 CB VAL B 36 1.167 8.063 -9.553 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.324 7.902 -9.292 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.646 7.036 -10.572 1.00 0.00 C ATOM 0 H VAL B 36 3.471 9.595 -9.360 1.00 0.00 H new ATOM 0 HA VAL B 36 1.012 9.652 -10.998 1.00 0.00 H new ATOM 0 HB VAL B 36 1.694 7.892 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.527 6.885 -8.956 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.637 8.608 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.877 8.097 -10.211 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.407 6.033 -10.218 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.150 7.212 -11.526 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.724 7.128 -10.701 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.086 11.228 -9.441 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.687 12.252 -8.600 1.00 0.00 C ATOM 1686 C HIS B 37 -1.705 11.624 -7.656 1.00 0.00 C ATOM 1687 O HIS B 37 -2.638 10.947 -8.092 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.355 13.323 -9.469 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.893 14.490 -8.696 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -3.234 14.611 -8.412 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -1.236 15.560 -8.188 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -3.360 15.744 -7.743 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -2.178 16.352 -7.584 1.00 0.00 N ATOM 0 H HIS B 37 -0.534 11.114 -10.350 1.00 0.00 H new ATOM 0 HA HIS B 37 0.095 12.724 -8.005 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.632 13.687 -10.199 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -2.170 12.865 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.175 15.752 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -4.298 16.130 -7.372 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.010 17.237 -7.105 1.00 0.00 H new ATOM 1701 N LEU B 38 -1.521 11.847 -6.365 1.00 0.00 N ATOM 1702 CA LEU B 38 -2.417 11.307 -5.364 1.00 0.00 C ATOM 1703 C LEU B 38 -2.925 12.425 -4.468 1.00 0.00 C ATOM 1704 O LEU B 38 -2.177 12.994 -3.671 1.00 0.00 O ATOM 1705 CB LEU B 38 -1.723 10.227 -4.531 1.00 0.00 C ATOM 1706 CG LEU B 38 -2.634 9.480 -3.551 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -3.739 8.748 -4.299 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -1.826 8.508 -2.704 1.00 0.00 C ATOM 0 H LEU B 38 -0.753 12.402 -5.987 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.264 10.845 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -1.271 9.502 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -0.911 10.689 -3.969 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.096 10.211 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.375 8.224 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -4.337 9.467 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -3.297 8.029 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.490 7.987 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.334 7.782 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -1.074 9.057 -2.138 1.00 0.00 H new ATOM 1720 N GLY B 39 -4.193 12.744 -4.630 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.810 13.802 -3.859 1.00 0.00 C ATOM 1722 C GLY B 39 -6.199 14.106 -4.368 1.00 0.00 C ATOM 1723 O GLY B 39 -7.180 13.996 -3.634 1.00 0.00 O ATOM 0 H GLY B 39 -4.818 12.283 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -4.859 13.510 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -4.195 14.701 -3.911 1.00 0.00 H new ATOM 1727 N THR B 40 -6.284 14.470 -5.642 1.00 0.00 N ATOM 1728 CA THR B 40 -7.565 14.714 -6.288 1.00 0.00 C ATOM 1729 C THR B 40 -8.197 13.387 -6.704 1.00 0.00 C ATOM 1730 O THR B 40 -9.365 13.322 -7.101 1.00 0.00 O ATOM 1731 CB THR B 40 -7.383 15.611 -7.527 1.00 0.00 C ATOM 1732 OG1 THR B 40 -6.383 16.604 -7.257 1.00 0.00 O ATOM 1733 CG2 THR B 40 -8.688 16.298 -7.900 1.00 0.00 C ATOM 0 H THR B 40 -5.476 14.603 -6.250 1.00 0.00 H new ATOM 0 HA THR B 40 -8.219 15.222 -5.580 1.00 0.00 H new ATOM 0 HB THR B 40 -7.071 14.984 -8.362 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.266 17.173 -8.046 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.531 16.925 -8.778 1.00 0.00 H new ATOM 0 HG22 THR B 40 -9.445 15.546 -8.122 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.024 16.916 -7.068 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.404 12.330 -6.601 1.00 0.00 N ATOM 1742 CA ASP B 41 -7.840 10.985 -6.935 1.00 0.00 C ATOM 1743 C ASP B 41 -8.114 10.196 -5.662 1.00 0.00 C ATOM 1744 O ASP B 41 -7.184 9.828 -4.943 1.00 0.00 O ATOM 1745 CB ASP B 41 -6.769 10.274 -7.764 1.00 0.00 C ATOM 1746 CG ASP B 41 -7.273 9.001 -8.412 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -7.564 8.027 -7.691 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.365 8.970 -9.658 1.00 0.00 O ATOM 0 H ASP B 41 -6.437 12.383 -6.282 1.00 0.00 H new ATOM 0 HA ASP B 41 -8.757 11.049 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.407 10.951 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -5.919 10.038 -7.124 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.385 9.972 -5.363 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.776 9.238 -4.168 1.00 0.00 C ATOM 1755 C LYS B 42 -9.855 7.741 -4.440 1.00 0.00 C ATOM 1756 O LYS B 42 -9.990 6.937 -3.516 1.00 0.00 O ATOM 1757 CB LYS B 42 -11.119 9.739 -3.630 1.00 0.00 C ATOM 1758 CG LYS B 42 -11.069 11.141 -3.037 1.00 0.00 C ATOM 1759 CD LYS B 42 -12.403 11.519 -2.411 1.00 0.00 C ATOM 1760 CE LYS B 42 -12.337 12.857 -1.687 1.00 0.00 C ATOM 1761 NZ LYS B 42 -12.101 13.993 -2.615 1.00 0.00 N ATOM 0 H LYS B 42 -10.167 10.290 -5.935 1.00 0.00 H new ATOM 0 HA LYS B 42 -9.008 9.414 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.850 9.724 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.474 9.046 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.283 11.193 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.813 11.860 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -13.167 11.564 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -12.707 10.742 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -13.269 13.021 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.539 12.826 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.098 14.884 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -11.183 13.870 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -12.857 14.021 -3.329 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.759 7.372 -5.708 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.900 5.982 -6.109 1.00 0.00 C ATOM 1777 C ALA B 43 -8.618 5.202 -5.842 1.00 0.00 C ATOM 1778 O ALA B 43 -8.637 4.142 -5.218 1.00 0.00 O ATOM 1779 CB ALA B 43 -10.280 5.895 -7.580 1.00 0.00 C ATOM 0 H ALA B 43 -9.584 8.018 -6.478 1.00 0.00 H new ATOM 0 HA ALA B 43 -10.695 5.534 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -10.383 4.849 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.227 6.411 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.503 6.363 -8.185 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.497 5.750 -6.292 1.00 0.00 N ATOM 1786 CA ARG B 44 -6.210 5.074 -6.170 1.00 0.00 C ATOM 1787 C ARG B 44 -5.589 5.272 -4.789 1.00 0.00 C ATOM 1788 O ARG B 44 -4.432 4.917 -4.563 1.00 0.00 O ATOM 1789 CB ARG B 44 -5.261 5.547 -7.267 1.00 0.00 C ATOM 1790 CG ARG B 44 -5.607 4.976 -8.633 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.753 5.585 -9.728 1.00 0.00 C ATOM 1792 NE ARG B 44 -5.073 6.991 -9.951 1.00 0.00 N ATOM 1793 CZ ARG B 44 -4.278 7.843 -10.592 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -3.098 7.440 -11.053 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -4.671 9.097 -10.776 1.00 0.00 N ATOM 0 H ARG B 44 -7.452 6.662 -6.746 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.383 4.005 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.285 6.636 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -4.242 5.262 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -5.468 3.895 -8.622 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -6.660 5.159 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -3.700 5.490 -9.462 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -4.899 5.028 -10.654 1.00 0.00 H new ATOM 0 HE ARG B 44 -5.961 7.342 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -2.800 6.474 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -2.491 8.096 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -5.579 9.403 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -4.065 9.755 -11.267 1.00 0.00 H new ATOM 1809 N ILE B 45 -6.365 5.822 -3.863 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.948 5.890 -2.467 1.00 0.00 C ATOM 1811 C ILE B 45 -5.757 4.475 -1.922 1.00 0.00 C ATOM 1812 O ILE B 45 -4.826 4.207 -1.164 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.975 6.659 -1.599 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -7.006 8.136 -2.007 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.651 6.524 -0.117 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.961 8.980 -1.187 1.00 0.00 C ATOM 0 H ILE B 45 -7.282 6.226 -4.052 1.00 0.00 H new ATOM 0 HA ILE B 45 -5.005 6.435 -2.421 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.960 6.223 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -6.001 8.549 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -7.285 8.207 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -7.388 7.074 0.468 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.674 5.472 0.166 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.658 6.930 0.077 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.926 10.012 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.974 8.594 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.671 8.942 -0.137 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.623 3.564 -2.359 1.00 0.00 N ATOM 1829 CA ALA B 46 -6.528 2.163 -1.966 1.00 0.00 C ATOM 1830 C ALA B 46 -5.258 1.525 -2.523 1.00 0.00 C ATOM 1831 O ALA B 46 -4.699 0.607 -1.922 1.00 0.00 O ATOM 1832 CB ALA B 46 -7.756 1.395 -2.433 1.00 0.00 C ATOM 0 H ALA B 46 -7.399 3.773 -2.987 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.482 2.119 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.669 0.351 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -8.649 1.829 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.831 1.454 -3.519 1.00 0.00 H new ATOM 1838 N GLU B 47 -4.806 2.022 -3.673 1.00 0.00 N ATOM 1839 CA GLU B 47 -3.574 1.543 -4.291 1.00 0.00 C ATOM 1840 C GLU B 47 -2.377 1.939 -3.437 1.00 0.00 C ATOM 1841 O GLU B 47 -1.450 1.151 -3.239 1.00 0.00 O ATOM 1842 CB GLU B 47 -3.428 2.107 -5.709 1.00 0.00 C ATOM 1843 CG GLU B 47 -2.156 1.664 -6.414 1.00 0.00 C ATOM 1844 CD GLU B 47 -2.067 2.157 -7.843 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -2.532 1.437 -8.752 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -1.510 3.255 -8.072 1.00 0.00 O ATOM 0 H GLU B 47 -5.278 2.759 -4.196 1.00 0.00 H new ATOM 0 HA GLU B 47 -3.616 0.456 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.288 1.799 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.446 3.196 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -1.293 2.027 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -2.104 0.575 -6.408 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.415 3.159 -2.916 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.377 3.639 -2.017 1.00 0.00 C ATOM 1855 C ALA B 48 -1.302 2.755 -0.778 1.00 0.00 C ATOM 1856 O ALA B 48 -0.216 2.427 -0.298 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.644 5.083 -1.625 1.00 0.00 C ATOM 0 H ALA B 48 -3.156 3.835 -3.102 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.418 3.593 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.859 5.428 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.656 5.706 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.609 5.151 -1.122 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.469 2.355 -0.286 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.563 1.478 0.876 1.00 0.00 C ATOM 1865 C GLU B 49 -1.969 0.102 0.571 1.00 0.00 C ATOM 1866 O GLU B 49 -1.453 -0.571 1.465 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.023 1.345 1.320 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.664 2.675 1.686 1.00 0.00 C ATOM 1869 CD GLU B 49 -6.089 2.532 2.184 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.270 2.171 3.365 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -7.032 2.792 1.405 1.00 0.00 O ATOM 0 H GLU B 49 -3.371 2.627 -0.678 1.00 0.00 H new ATOM 0 HA GLU B 49 -1.987 1.921 1.688 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.598 0.881 0.519 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.075 0.676 2.179 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.064 3.161 2.455 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.654 3.328 0.814 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.034 -0.304 -0.694 1.00 0.00 N ATOM 1879 CA LYS B 50 -1.459 -1.578 -1.126 1.00 0.00 C ATOM 1880 C LYS B 50 0.065 -1.510 -1.118 1.00 0.00 C ATOM 1881 O LYS B 50 0.740 -2.449 -0.701 1.00 0.00 O ATOM 1882 CB LYS B 50 -1.943 -1.942 -2.534 1.00 0.00 C ATOM 1883 CG LYS B 50 -3.444 -2.137 -2.641 1.00 0.00 C ATOM 1884 CD LYS B 50 -3.876 -2.372 -4.079 1.00 0.00 C ATOM 1885 CE LYS B 50 -5.380 -2.540 -4.179 1.00 0.00 C ATOM 1886 NZ LYS B 50 -5.838 -2.740 -5.580 1.00 0.00 N ATOM 0 H LYS B 50 -2.479 0.230 -1.440 1.00 0.00 H new ATOM 0 HA LYS B 50 -1.788 -2.346 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -1.639 -1.156 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -1.445 -2.858 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -3.746 -2.985 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -3.955 -1.259 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -3.559 -1.533 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -3.381 -3.261 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -5.688 -3.393 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -5.869 -1.660 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.872 -2.850 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.569 -1.916 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -5.394 -3.595 -5.972 1.00 0.00 H new ATOM 1900 N ALA B 51 0.598 -0.388 -1.585 1.00 0.00 N ATOM 1901 CA ALA B 51 2.040 -0.199 -1.660 1.00 0.00 C ATOM 1902 C ALA B 51 2.631 0.078 -0.282 1.00 0.00 C ATOM 1903 O ALA B 51 3.788 -0.243 -0.013 1.00 0.00 O ATOM 1904 CB ALA B 51 2.371 0.934 -2.617 1.00 0.00 C ATOM 0 H ALA B 51 0.051 0.406 -1.918 1.00 0.00 H new ATOM 0 HA ALA B 51 2.485 -1.120 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA B 51 3.452 1.066 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.990 0.694 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.908 1.856 -2.264 1.00 0.00 H new ATOM 1910 N GLY B 52 1.826 0.665 0.591 1.00 0.00 N ATOM 1911 CA GLY B 52 2.290 1.001 1.923 1.00 0.00 C ATOM 1912 C GLY B 52 2.600 2.477 2.058 1.00 0.00 C ATOM 1913 O GLY B 52 3.374 2.885 2.922 1.00 0.00 O ATOM 0 H GLY B 52 0.856 0.916 0.401 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.531 0.721 2.653 1.00 0.00 H new ATOM 0 HA3 GLY B 52 3.183 0.420 2.154 1.00 0.00 H new ATOM 1917 N VAL B 53 1.988 3.277 1.198 1.00 0.00 N ATOM 1918 CA VAL B 53 2.196 4.716 1.207 1.00 0.00 C ATOM 1919 C VAL B 53 1.319 5.365 2.272 1.00 0.00 C ATOM 1920 O VAL B 53 0.113 5.523 2.085 1.00 0.00 O ATOM 1921 CB VAL B 53 1.880 5.337 -0.172 1.00 0.00 C ATOM 1922 CG1 VAL B 53 2.194 6.823 -0.188 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.643 4.617 -1.272 1.00 0.00 C ATOM 0 H VAL B 53 1.340 2.951 0.481 1.00 0.00 H new ATOM 0 HA VAL B 53 3.246 4.900 1.435 1.00 0.00 H new ATOM 0 HB VAL B 53 0.813 5.217 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.962 7.233 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.594 7.330 0.568 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.252 6.974 0.027 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.407 5.070 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.714 4.699 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.357 3.565 -1.285 1.00 0.00 H new ATOM 1933 N LYS B 54 1.929 5.717 3.396 1.00 0.00 N ATOM 1934 CA LYS B 54 1.195 6.308 4.505 1.00 0.00 C ATOM 1935 C LYS B 54 1.122 7.824 4.355 1.00 0.00 C ATOM 1936 O LYS B 54 0.318 8.492 5.005 1.00 0.00 O ATOM 1937 CB LYS B 54 1.848 5.929 5.840 1.00 0.00 C ATOM 1938 CG LYS B 54 1.084 6.427 7.058 1.00 0.00 C ATOM 1939 CD LYS B 54 1.700 5.925 8.352 1.00 0.00 C ATOM 1940 CE LYS B 54 0.942 6.440 9.566 1.00 0.00 C ATOM 1941 NZ LYS B 54 -0.494 6.055 9.533 1.00 0.00 N ATOM 0 H LYS B 54 2.929 5.603 3.563 1.00 0.00 H new ATOM 0 HA LYS B 54 0.178 5.915 4.493 1.00 0.00 H new ATOM 0 HB2 LYS B 54 1.936 4.844 5.896 1.00 0.00 H new ATOM 0 HB3 LYS B 54 2.860 6.333 5.867 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.072 7.517 7.059 1.00 0.00 H new ATOM 0 HG3 LYS B 54 0.047 6.097 6.997 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.700 4.835 8.357 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.741 6.244 8.409 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.401 6.047 10.473 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.025 7.526 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -0.942 6.307 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -0.971 6.559 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -0.575 5.029 9.380 1.00 0.00 H new ATOM 1955 N SER B 55 1.971 8.374 3.507 1.00 0.00 N ATOM 1956 CA SER B 55 1.950 9.801 3.243 1.00 0.00 C ATOM 1957 C SER B 55 2.378 10.092 1.811 1.00 0.00 C ATOM 1958 O SER B 55 3.245 9.411 1.269 1.00 0.00 O ATOM 1959 CB SER B 55 2.872 10.529 4.226 1.00 0.00 C ATOM 1960 OG SER B 55 2.499 10.260 5.570 1.00 0.00 O ATOM 0 H SER B 55 2.682 7.856 2.990 1.00 0.00 H new ATOM 0 HA SER B 55 0.930 10.161 3.376 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.903 10.217 4.062 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.831 11.602 4.042 1.00 0.00 H new ATOM 0 HG SER B 55 2.870 10.951 6.157 1.00 0.00 H new ATOM 1966 N VAL B 56 1.752 11.092 1.194 1.00 0.00 N ATOM 1967 CA VAL B 56 2.200 11.570 -0.103 1.00 0.00 C ATOM 1968 C VAL B 56 3.522 12.330 0.078 1.00 0.00 C ATOM 1969 O VAL B 56 3.990 12.446 1.217 1.00 0.00 O ATOM 1970 CB VAL B 56 1.129 12.415 -0.831 1.00 0.00 C ATOM 1971 CG1 VAL B 56 0.007 11.522 -1.334 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.573 13.498 0.070 1.00 0.00 C ATOM 0 H VAL B 56 0.940 11.581 1.571 1.00 0.00 H new ATOM 0 HA VAL B 56 2.369 10.712 -0.753 1.00 0.00 H new ATOM 0 HB VAL B 56 1.607 12.900 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.740 12.129 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.412 10.785 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.456 11.010 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.177 14.073 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.115 13.042 0.948 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.380 14.160 0.384 1.00 0.00 H new ATOM 1982 N PRO B 57 4.019 13.053 -0.952 1.00 0.00 N ATOM 1983 CA PRO B 57 5.407 13.036 -1.349 1.00 0.00 C ATOM 1984 C PRO B 57 6.224 11.871 -0.792 1.00 0.00 C ATOM 1985 O PRO B 57 6.862 11.945 0.260 1.00 0.00 O ATOM 1986 CB PRO B 57 5.809 14.422 -0.887 1.00 0.00 C ATOM 1987 CG PRO B 57 4.581 15.243 -1.242 1.00 0.00 C ATOM 1988 CD PRO B 57 3.456 14.242 -1.543 1.00 0.00 C ATOM 0 HA PRO B 57 5.588 12.852 -2.408 1.00 0.00 H new ATOM 0 HB2 PRO B 57 6.023 14.450 0.181 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.701 14.780 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO B 57 4.304 15.901 -0.419 1.00 0.00 H new ATOM 0 HG3 PRO B 57 4.776 15.878 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.509 14.528 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO B 57 3.272 14.130 -2.611 1.00 0.00 H new ATOM 1996 N ALA B 58 6.163 10.778 -1.549 1.00 0.00 N ATOM 1997 CA ALA B 58 6.890 9.556 -1.262 1.00 0.00 C ATOM 1998 C ALA B 58 7.109 8.788 -2.563 1.00 0.00 C ATOM 1999 O ALA B 58 6.321 8.922 -3.503 1.00 0.00 O ATOM 2000 CB ALA B 58 6.123 8.699 -0.267 1.00 0.00 C ATOM 0 H ALA B 58 5.594 10.722 -2.394 1.00 0.00 H new ATOM 0 HA ALA B 58 7.854 9.807 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.684 7.787 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.985 9.254 0.661 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.149 8.441 -0.684 1.00 0.00 H new ATOM 2006 N LEU B 59 8.165 7.992 -2.626 1.00 0.00 N ATOM 2007 CA LEU B 59 8.485 7.258 -3.844 1.00 0.00 C ATOM 2008 C LEU B 59 8.564 5.762 -3.550 1.00 0.00 C ATOM 2009 O LEU B 59 9.256 5.334 -2.627 1.00 0.00 O ATOM 2010 CB LEU B 59 9.806 7.774 -4.437 1.00 0.00 C ATOM 2011 CG LEU B 59 10.045 7.469 -5.924 1.00 0.00 C ATOM 2012 CD1 LEU B 59 11.100 8.408 -6.487 1.00 0.00 C ATOM 2013 CD2 LEU B 59 10.482 6.026 -6.128 1.00 0.00 C ATOM 0 H LEU B 59 8.813 7.837 -1.854 1.00 0.00 H new ATOM 0 HA LEU B 59 7.695 7.419 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU B 59 9.846 8.854 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.629 7.348 -3.863 1.00 0.00 H new ATOM 0 HG LEU B 59 9.104 7.620 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU B 59 11.262 8.183 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU B 59 10.762 9.439 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU B 59 12.034 8.276 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU B 59 10.643 5.841 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU B 59 11.409 5.846 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU B 59 9.707 5.355 -5.757 1.00 0.00 H new ATOM 2025 N VAL B 60 7.838 4.978 -4.333 1.00 0.00 N ATOM 2026 CA VAL B 60 7.811 3.533 -4.167 1.00 0.00 C ATOM 2027 C VAL B 60 8.762 2.863 -5.152 1.00 0.00 C ATOM 2028 O VAL B 60 8.517 2.856 -6.361 1.00 0.00 O ATOM 2029 CB VAL B 60 6.391 2.964 -4.378 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.356 1.475 -4.063 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.376 3.719 -3.535 1.00 0.00 C ATOM 0 H VAL B 60 7.255 5.322 -5.096 1.00 0.00 H new ATOM 0 HA VAL B 60 8.127 3.322 -3.145 1.00 0.00 H new ATOM 0 HB VAL B 60 6.124 3.096 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.347 1.094 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.048 0.948 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.649 1.316 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.383 3.301 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.638 3.627 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.378 4.771 -3.819 1.00 0.00 H new ATOM 2041 N ILE B 61 9.847 2.312 -4.634 1.00 0.00 N ATOM 2042 CA ILE B 61 10.815 1.613 -5.460 1.00 0.00 C ATOM 2043 C ILE B 61 10.464 0.132 -5.531 1.00 0.00 C ATOM 2044 O ILE B 61 10.714 -0.619 -4.586 1.00 0.00 O ATOM 2045 CB ILE B 61 12.255 1.783 -4.927 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.610 3.269 -4.827 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.246 1.056 -5.829 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.995 3.533 -4.271 1.00 0.00 C ATOM 0 H ILE B 61 10.079 2.336 -3.641 1.00 0.00 H new ATOM 0 HA ILE B 61 10.775 2.051 -6.457 1.00 0.00 H new ATOM 0 HB ILE B 61 12.312 1.344 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.535 3.718 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.874 3.767 -4.195 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.256 1.186 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.002 -0.006 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.190 1.468 -6.837 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.172 4.608 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.070 3.115 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.741 3.066 -4.915 1.00 0.00 H new ATOM 2060 N ASP B 62 9.860 -0.256 -6.654 1.00 0.00 N ATOM 2061 CA ASP B 62 9.434 -1.633 -6.925 1.00 0.00 C ATOM 2062 C ASP B 62 8.319 -2.072 -5.980 1.00 0.00 C ATOM 2063 O ASP B 62 7.171 -2.234 -6.393 1.00 0.00 O ATOM 2064 CB ASP B 62 10.620 -2.600 -6.852 1.00 0.00 C ATOM 2065 CG ASP B 62 10.255 -3.999 -7.304 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.113 -4.214 -8.523 1.00 0.00 O ATOM 2067 OD2 ASP B 62 10.130 -4.895 -6.444 1.00 0.00 O ATOM 0 H ASP B 62 9.648 0.388 -7.416 1.00 0.00 H new ATOM 0 HA ASP B 62 9.036 -1.657 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP B 62 11.432 -2.221 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP B 62 10.992 -2.638 -5.828 1.00 0.00 H new ATOM 2072 N GLY B 63 8.666 -2.257 -4.719 1.00 0.00 N ATOM 2073 CA GLY B 63 7.693 -2.635 -3.714 1.00 0.00 C ATOM 2074 C GLY B 63 7.988 -1.998 -2.371 1.00 0.00 C ATOM 2075 O GLY B 63 7.353 -2.320 -1.362 1.00 0.00 O ATOM 0 H GLY B 63 9.618 -2.151 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY B 63 6.697 -2.340 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY B 63 7.685 -3.720 -3.607 1.00 0.00 H new ATOM 2079 N ALA B 64 8.955 -1.088 -2.353 1.00 0.00 N ATOM 2080 CA ALA B 64 9.354 -0.415 -1.125 1.00 0.00 C ATOM 2081 C ALA B 64 9.065 1.081 -1.205 1.00 0.00 C ATOM 2082 O ALA B 64 9.686 1.803 -1.985 1.00 0.00 O ATOM 2083 CB ALA B 64 10.828 -0.661 -0.844 1.00 0.00 C ATOM 0 H ALA B 64 9.479 -0.799 -3.179 1.00 0.00 H new ATOM 0 HA ALA B 64 8.769 -0.827 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.113 -0.152 0.077 1.00 0.00 H new ATOM 0 HB2 ALA B 64 11.004 -1.731 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.425 -0.276 -1.671 1.00 0.00 H new ATOM 2089 N ALA B 65 8.111 1.533 -0.408 1.00 0.00 N ATOM 2090 CA ALA B 65 7.721 2.934 -0.390 1.00 0.00 C ATOM 2091 C ALA B 65 8.580 3.735 0.582 1.00 0.00 C ATOM 2092 O ALA B 65 8.621 3.441 1.779 1.00 0.00 O ATOM 2093 CB ALA B 65 6.249 3.064 -0.024 1.00 0.00 C ATOM 0 H ALA B 65 7.588 0.944 0.241 1.00 0.00 H new ATOM 0 HA ALA B 65 7.877 3.341 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.968 4.117 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.643 2.534 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.080 2.634 0.963 1.00 0.00 H new ATOM 2099 N PHE B 66 9.269 4.738 0.063 1.00 0.00 N ATOM 2100 CA PHE B 66 10.087 5.615 0.884 1.00 0.00 C ATOM 2101 C PHE B 66 9.521 7.026 0.867 1.00 0.00 C ATOM 2102 O PHE B 66 9.399 7.643 -0.192 1.00 0.00 O ATOM 2103 CB PHE B 66 11.535 5.629 0.389 1.00 0.00 C ATOM 2104 CG PHE B 66 12.219 4.296 0.486 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.783 3.879 1.679 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.295 3.461 -0.616 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.411 2.653 1.774 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.923 2.234 -0.527 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.480 1.829 0.669 1.00 0.00 C ATOM 0 H PHE B 66 9.277 4.966 -0.931 1.00 0.00 H new ATOM 0 HA PHE B 66 10.074 5.236 1.906 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.552 5.961 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.100 6.360 0.967 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.731 4.520 2.546 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.859 3.772 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.847 2.340 2.711 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.978 1.592 -1.393 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.969 0.869 0.740 1.00 0.00 H new ATOM 2119 N HIS B 67 9.166 7.528 2.038 1.00 0.00 N ATOM 2120 CA HIS B 67 8.617 8.872 2.161 1.00 0.00 C ATOM 2121 C HIS B 67 9.737 9.900 2.070 1.00 0.00 C ATOM 2122 O HIS B 67 10.649 9.903 2.895 1.00 0.00 O ATOM 2123 CB HIS B 67 7.864 9.022 3.488 1.00 0.00 C ATOM 2124 CG HIS B 67 6.725 8.057 3.651 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.838 6.835 4.278 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.429 8.157 3.262 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.636 6.244 4.251 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.744 7.005 3.646 1.00 0.00 N ATOM 0 H HIS B 67 9.248 7.024 2.921 1.00 0.00 H new ATOM 0 HA HIS B 67 7.914 9.041 1.345 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.566 8.884 4.311 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.480 10.039 3.564 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.687 6.449 4.690 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.996 8.996 2.738 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.425 5.271 4.670 1.00 0.00 H new ATOM 2136 N ILE B 68 9.667 10.767 1.070 1.00 0.00 N ATOM 2137 CA ILE B 68 10.733 11.727 0.819 1.00 0.00 C ATOM 2138 C ILE B 68 10.277 13.126 1.202 1.00 0.00 C ATOM 2139 O ILE B 68 9.648 13.821 0.403 1.00 0.00 O ATOM 2140 CB ILE B 68 11.178 11.705 -0.660 1.00 0.00 C ATOM 2141 CG1 ILE B 68 11.556 10.279 -1.073 1.00 0.00 C ATOM 2142 CG2 ILE B 68 12.351 12.650 -0.876 1.00 0.00 C ATOM 2143 CD1 ILE B 68 11.901 10.141 -2.540 1.00 0.00 C ATOM 0 H ILE B 68 8.884 10.826 0.419 1.00 0.00 H new ATOM 0 HA ILE B 68 11.588 11.443 1.432 1.00 0.00 H new ATOM 0 HB ILE B 68 10.348 12.041 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE B 68 12.407 9.951 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE B 68 10.727 9.611 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE B 68 12.652 12.623 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE B 68 12.055 13.665 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE B 68 13.188 12.341 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE B 68 12.158 9.104 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE B 68 11.044 10.437 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE B 68 12.750 10.782 -2.776 1.00 0.00 H new ATOM 2155 N ASN B 69 10.613 13.519 2.432 1.00 0.00 N ATOM 2156 CA ASN B 69 10.093 14.738 3.048 1.00 0.00 C ATOM 2157 C ASN B 69 8.596 14.596 3.279 1.00 0.00 C ATOM 2158 O ASN B 69 7.830 14.418 2.336 1.00 0.00 O ATOM 2159 CB ASN B 69 10.397 15.992 2.216 1.00 0.00 C ATOM 2160 CG ASN B 69 11.841 16.439 2.349 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.483 16.207 3.372 1.00 0.00 O ATOM 2162 ND2 ASN B 69 12.361 17.093 1.323 1.00 0.00 N ATOM 0 H ASN B 69 11.255 12.998 3.029 1.00 0.00 H new ATOM 0 HA ASN B 69 10.600 14.868 4.004 1.00 0.00 H new ATOM 0 HB2 ASN B 69 10.177 15.791 1.168 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.739 16.802 2.530 1.00 0.00 H new ATOM 0 HD21 ASN B 69 13.325 17.423 1.364 1.00 0.00 H new ATOM 0 HD22 ASN B 69 11.798 17.267 0.491 1.00 0.00 H new ATOM 2169 N PHE B 70 8.193 14.657 4.544 1.00 0.00 N ATOM 2170 CA PHE B 70 6.808 14.409 4.924 1.00 0.00 C ATOM 2171 C PHE B 70 5.859 15.320 4.154 1.00 0.00 C ATOM 2172 O PHE B 70 5.726 16.505 4.462 1.00 0.00 O ATOM 2173 CB PHE B 70 6.624 14.602 6.434 1.00 0.00 C ATOM 2174 CG PHE B 70 5.257 14.222 6.935 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.952 12.901 7.214 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.279 15.187 7.128 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.697 12.547 7.675 1.00 0.00 C ATOM 2178 CE2 PHE B 70 3.023 14.840 7.588 1.00 0.00 C ATOM 2179 CZ PHE B 70 2.732 13.517 7.862 1.00 0.00 C ATOM 0 H PHE B 70 8.810 14.877 5.326 1.00 0.00 H new ATOM 0 HA PHE B 70 6.568 13.376 4.671 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.371 14.008 6.960 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.814 15.646 6.683 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.703 12.138 7.070 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.502 16.222 6.916 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.472 11.513 7.889 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.270 15.601 7.733 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.751 13.242 8.222 1.00 0.00 H new ATOM 2189 N GLY B 71 5.231 14.761 3.131 1.00 0.00 N ATOM 2190 CA GLY B 71 4.275 15.509 2.355 1.00 0.00 C ATOM 2191 C GLY B 71 2.956 15.632 3.072 1.00 0.00 C ATOM 2192 O GLY B 71 2.740 16.576 3.832 1.00 0.00 O ATOM 0 H GLY B 71 5.370 13.798 2.826 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.671 16.503 2.148 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.123 15.019 1.393 1.00 0.00 H new ATOM 2196 N ALA B 72 2.064 14.688 2.830 1.00 0.00 N ATOM 2197 CA ALA B 72 0.758 14.718 3.494 1.00 0.00 C ATOM 2198 C ALA B 72 0.324 13.326 3.918 1.00 0.00 C ATOM 2199 O ALA B 72 0.445 12.379 3.149 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.297 15.375 2.613 1.00 0.00 C ATOM 0 H ALA B 72 2.207 13.904 2.194 1.00 0.00 H new ATOM 0 HA ALA B 72 0.862 15.324 4.394 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.254 15.381 3.135 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.002 16.399 2.390 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.394 14.815 1.683 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.200 13.207 5.126 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.582 11.906 5.639 1.00 0.00 C ATOM 2208 C GLY B 73 -1.862 11.393 5.010 1.00 0.00 C ATOM 2209 O GLY B 73 -2.841 12.130 4.893 1.00 0.00 O ATOM 0 H GLY B 73 -0.369 13.986 5.762 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.222 11.194 5.453 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.710 11.967 6.720 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.865 10.124 4.611 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.048 9.514 4.015 1.00 0.00 C ATOM 2215 C ILE B 74 -4.141 9.375 5.072 1.00 0.00 C ATOM 2216 O ILE B 74 -5.331 9.343 4.761 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.726 8.129 3.395 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.884 7.651 2.515 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.429 7.098 4.480 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.600 6.346 1.800 1.00 0.00 C ATOM 0 H ILE B 74 -1.062 9.500 4.690 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.395 10.163 3.211 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.836 8.239 2.775 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.774 7.532 3.133 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -4.110 8.420 1.776 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.207 6.136 4.017 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -1.571 7.425 5.068 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.297 6.995 5.131 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -4.463 6.067 1.195 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.729 6.466 1.156 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.404 5.564 2.534 1.00 0.00 H new ATOM 2232 N ASP B 75 -3.711 9.326 6.328 1.00 0.00 N ATOM 2233 CA ASP B 75 -4.613 9.241 7.469 1.00 0.00 C ATOM 2234 C ASP B 75 -5.488 10.481 7.563 1.00 0.00 C ATOM 2235 O ASP B 75 -6.589 10.437 8.111 1.00 0.00 O ATOM 2236 CB ASP B 75 -3.811 9.088 8.762 1.00 0.00 C ATOM 2237 CG ASP B 75 -2.983 7.821 8.792 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -1.922 7.780 8.136 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -3.382 6.864 9.488 1.00 0.00 O ATOM 0 H ASP B 75 -2.724 9.344 6.583 1.00 0.00 H new ATOM 0 HA ASP B 75 -5.253 8.370 7.329 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -3.153 9.949 8.880 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -4.495 9.090 9.611 1.00 0.00 H new ATOM 2244 N ASP B 76 -4.986 11.584 7.018 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.701 12.855 7.035 1.00 0.00 C ATOM 2246 C ASP B 76 -6.852 12.834 6.039 1.00 0.00 C ATOM 2247 O ASP B 76 -7.921 13.388 6.293 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.741 14.000 6.706 1.00 0.00 C ATOM 2249 CG ASP B 76 -5.428 15.348 6.662 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -5.664 15.931 7.739 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -5.719 15.836 5.554 1.00 0.00 O ATOM 0 H ASP B 76 -4.078 11.623 6.555 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.111 13.010 8.033 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.946 14.027 7.451 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.269 13.807 5.743 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.627 12.174 4.908 1.00 0.00 N ATOM 2257 CA LEU B 77 -7.651 12.042 3.878 1.00 0.00 C ATOM 2258 C LEU B 77 -8.689 11.012 4.308 1.00 0.00 C ATOM 2259 O LEU B 77 -9.843 11.050 3.877 1.00 0.00 O ATOM 2260 CB LEU B 77 -7.020 11.625 2.546 1.00 0.00 C ATOM 2261 CG LEU B 77 -5.931 12.561 2.013 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -5.335 12.004 0.730 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -6.489 13.958 1.776 1.00 0.00 C ATOM 0 H LEU B 77 -5.742 11.721 4.681 1.00 0.00 H new ATOM 0 HA LEU B 77 -8.139 13.008 3.744 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.594 10.628 2.662 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -7.809 11.550 1.798 1.00 0.00 H new ATOM 0 HG LEU B 77 -5.143 12.630 2.762 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -4.563 12.681 0.364 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.897 11.026 0.927 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -6.118 11.906 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -5.699 14.606 1.398 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -7.297 13.908 1.047 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -6.871 14.361 2.714 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.260 10.093 5.162 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.137 9.061 5.696 1.00 0.00 C ATOM 2277 C LYS B 78 -10.155 9.660 6.664 1.00 0.00 C ATOM 2278 O LYS B 78 -9.834 9.962 7.819 1.00 0.00 O ATOM 2279 CB LYS B 78 -8.311 7.983 6.400 1.00 0.00 C ATOM 2280 CG LYS B 78 -7.531 7.085 5.452 1.00 0.00 C ATOM 2281 CD LYS B 78 -6.539 6.215 6.210 1.00 0.00 C ATOM 2282 CE LYS B 78 -5.986 5.096 5.338 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.025 4.078 5.023 1.00 0.00 N ATOM 0 H LYS B 78 -7.300 10.042 5.502 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.680 8.609 4.866 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -7.613 8.464 7.085 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -8.977 7.366 7.004 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -8.222 6.452 4.895 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -7.000 7.696 4.723 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -5.717 6.833 6.573 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -7.027 5.786 7.086 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -5.596 5.516 4.411 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -5.150 4.617 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -6.569 3.219 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -7.555 3.844 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -7.678 4.458 4.308 1.00 0.00 H new