USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 736 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: B 19 TYR OH : rot -121:sc= 1.25 USER MOD Set 1.2: B 23 HIS : no HD1:sc= 0.533 K(o=1.8,f=-4.2!) USER MOD Set 2.1: A 19 TYR OH : rot -94:sc= 1.28 USER MOD Set 2.2: A 23 HIS : no HD1:sc= 0.299 K(o=1.6,f=-4.6!) USER MOD Single : A 21 GLN : amide:sc= -0.0345 K(o=-0.035,f=-1.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.577 K(o=-0.58,f=-3!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.146 USER MOD Single : A 35 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -66:sc= -2.62! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.9!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.8!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.156 USER MOD Single : B 35 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.7) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot -62:sc= -2.65! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -12.058 13.533 7.341 1.00 0.00 N ATOM 73 CA CYS A 16 -11.517 12.143 7.290 1.00 0.00 C ATOM 74 C CYS A 16 -10.006 12.169 7.043 1.00 0.00 C ATOM 75 O CYS A 16 -9.295 11.250 7.402 1.00 0.00 O ATOM 76 CB CYS A 16 -12.242 11.475 6.122 1.00 0.00 C ATOM 77 SG CYS A 16 -13.643 10.515 6.748 1.00 0.00 S ATOM 0 HA CYS A 16 -11.674 11.606 8.226 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.591 12.230 5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.556 10.825 5.579 1.00 0.00 H new ATOM 82 N GLU A 17 -9.511 13.209 6.434 1.00 0.00 N ATOM 83 CA GLU A 17 -8.043 13.289 6.165 1.00 0.00 C ATOM 84 C GLU A 17 -7.269 13.368 7.482 1.00 0.00 C ATOM 85 O GLU A 17 -6.362 12.598 7.728 1.00 0.00 O ATOM 86 CB GLU A 17 -7.857 14.572 5.356 1.00 0.00 C ATOM 87 CG GLU A 17 -8.154 14.296 3.881 1.00 0.00 C ATOM 88 CD GLU A 17 -6.919 13.687 3.216 1.00 0.00 C ATOM 89 OE1 GLU A 17 -6.548 12.587 3.592 1.00 0.00 O ATOM 90 OE2 GLU A 17 -6.364 14.332 2.340 1.00 0.00 O ATOM 0 H GLU A 17 -10.056 14.008 6.110 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.673 12.414 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.521 15.350 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.838 14.941 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.001 13.616 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.433 15.221 3.376 1.00 0.00 H new ATOM 97 N LEU A 18 -7.616 14.296 8.332 1.00 0.00 N ATOM 98 CA LEU A 18 -6.896 14.423 9.632 1.00 0.00 C ATOM 99 C LEU A 18 -7.538 13.526 10.697 1.00 0.00 C ATOM 100 O LEU A 18 -7.250 13.641 11.870 1.00 0.00 O ATOM 101 CB LEU A 18 -7.040 15.893 10.019 1.00 0.00 C ATOM 102 CG LEU A 18 -5.655 16.529 10.153 1.00 0.00 C ATOM 103 CD1 LEU A 18 -4.866 15.810 11.251 1.00 0.00 C ATOM 104 CD2 LEU A 18 -4.906 16.404 8.824 1.00 0.00 C ATOM 0 H LEU A 18 -8.366 14.971 8.183 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.853 14.117 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.622 16.422 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.583 15.980 10.960 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.763 17.582 10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.879 16.263 11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.398 15.897 12.198 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.758 14.757 10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.919 16.857 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.799 15.351 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.466 16.915 8.041 1.00 0.00 H new ATOM 116 N TYR A 19 -8.405 12.635 10.300 1.00 0.00 N ATOM 117 CA TYR A 19 -9.063 11.738 11.293 1.00 0.00 C ATOM 118 C TYR A 19 -8.111 10.617 11.733 1.00 0.00 C ATOM 119 O TYR A 19 -8.434 9.820 12.589 1.00 0.00 O ATOM 120 CB TYR A 19 -10.269 11.159 10.552 1.00 0.00 C ATOM 121 CG TYR A 19 -11.014 10.212 11.463 1.00 0.00 C ATOM 122 CD1 TYR A 19 -12.051 10.696 12.290 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.670 8.844 11.487 1.00 0.00 C ATOM 124 CE1 TYR A 19 -12.748 9.809 13.143 1.00 0.00 C ATOM 125 CE2 TYR A 19 -11.365 7.955 12.339 1.00 0.00 C ATOM 126 CZ TYR A 19 -12.404 8.436 13.166 1.00 0.00 C ATOM 127 OH TYR A 19 -13.083 7.568 13.999 1.00 0.00 O ATOM 0 H TYR A 19 -8.686 12.489 9.331 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.349 12.271 12.200 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.930 11.963 10.227 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.940 10.634 9.655 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.312 11.744 12.271 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.876 8.476 10.855 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.541 10.179 13.776 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.101 6.908 12.357 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.595 7.476 14.844 1.00 0.00 H new ATOM 137 N VAL A 20 -6.937 10.546 11.158 1.00 0.00 N ATOM 138 CA VAL A 20 -5.978 9.474 11.553 1.00 0.00 C ATOM 139 C VAL A 20 -5.781 9.465 13.073 1.00 0.00 C ATOM 140 O VAL A 20 -6.228 8.568 13.760 1.00 0.00 O ATOM 141 CB VAL A 20 -4.669 9.829 10.844 1.00 0.00 C ATOM 142 CG1 VAL A 20 -3.602 8.789 11.192 1.00 0.00 C ATOM 143 CG2 VAL A 20 -4.896 9.839 9.331 1.00 0.00 C ATOM 0 H VAL A 20 -6.603 11.183 10.434 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.336 8.482 11.276 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.335 10.815 11.169 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.670 9.041 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.440 8.780 12.270 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.935 7.803 10.867 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.964 10.092 8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.229 8.853 9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.656 10.579 9.082 1.00 0.00 H new ATOM 153 N GLN A 21 -5.111 10.452 13.601 1.00 0.00 N ATOM 154 CA GLN A 21 -4.884 10.496 15.075 1.00 0.00 C ATOM 155 C GLN A 21 -6.220 10.505 15.820 1.00 0.00 C ATOM 156 O GLN A 21 -6.312 10.078 16.954 1.00 0.00 O ATOM 157 CB GLN A 21 -4.122 11.799 15.320 1.00 0.00 C ATOM 158 CG GLN A 21 -3.769 11.912 16.805 1.00 0.00 C ATOM 159 CD GLN A 21 -2.769 13.050 17.008 1.00 0.00 C ATOM 160 OE1 GLN A 21 -2.073 13.435 16.091 1.00 0.00 O ATOM 161 NE2 GLN A 21 -2.667 13.611 18.184 1.00 0.00 N ATOM 0 H GLN A 21 -4.711 11.230 13.077 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.331 9.627 15.432 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.214 11.821 14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.729 12.651 15.014 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.670 12.097 17.390 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.345 10.973 17.161 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.251 13.288 18.955 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.003 14.371 18.330 1.00 0.00 H new ATOM 170 N LYS A 22 -7.258 10.988 15.192 1.00 0.00 N ATOM 171 CA LYS A 22 -8.587 11.022 15.868 1.00 0.00 C ATOM 172 C LYS A 22 -8.944 9.634 16.408 1.00 0.00 C ATOM 173 O LYS A 22 -9.727 9.496 17.325 1.00 0.00 O ATOM 174 CB LYS A 22 -9.575 11.445 14.780 1.00 0.00 C ATOM 175 CG LYS A 22 -10.811 12.073 15.428 1.00 0.00 C ATOM 176 CD LYS A 22 -10.525 13.536 15.766 1.00 0.00 C ATOM 177 CE LYS A 22 -11.831 14.332 15.733 1.00 0.00 C ATOM 178 NZ LYS A 22 -11.445 15.722 16.099 1.00 0.00 N ATOM 0 H LYS A 22 -7.244 11.360 14.242 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.600 11.705 16.718 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.104 12.158 14.104 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.864 10.581 14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.663 12.005 14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.078 11.526 16.332 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.067 13.610 16.752 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.814 13.953 15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.289 14.297 14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.558 13.926 16.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.290 16.329 16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.018 15.725 17.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.757 16.085 15.408 1.00 0.00 H new ATOM 192 N HIS A 23 -8.372 8.606 15.846 1.00 0.00 N ATOM 193 CA HIS A 23 -8.676 7.227 16.327 1.00 0.00 C ATOM 194 C HIS A 23 -7.379 6.425 16.485 1.00 0.00 C ATOM 195 O HIS A 23 -7.342 5.235 16.243 1.00 0.00 O ATOM 196 CB HIS A 23 -9.561 6.612 15.243 1.00 0.00 C ATOM 197 CG HIS A 23 -10.690 5.854 15.886 1.00 0.00 C ATOM 198 ND1 HIS A 23 -11.880 6.466 16.245 1.00 0.00 N ATOM 199 CD2 HIS A 23 -10.822 4.535 16.243 1.00 0.00 C ATOM 200 CE1 HIS A 23 -12.671 5.525 16.792 1.00 0.00 C ATOM 201 NE2 HIS A 23 -12.075 4.329 16.815 1.00 0.00 N ATOM 0 H HIS A 23 -7.707 8.660 15.074 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.169 7.228 17.299 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -9.957 7.394 14.595 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.972 5.944 14.614 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.069 3.774 16.102 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.666 5.713 17.167 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -12.456 3.454 17.174 1.00 0.00 H new ATOM 209 N ASN A 24 -6.319 7.067 16.892 1.00 0.00 N ATOM 210 CA ASN A 24 -5.027 6.342 17.069 1.00 0.00 C ATOM 211 C ASN A 24 -4.661 5.587 15.789 1.00 0.00 C ATOM 212 O ASN A 24 -4.187 4.469 15.829 1.00 0.00 O ATOM 213 CB ASN A 24 -5.279 5.362 18.215 1.00 0.00 C ATOM 214 CG ASN A 24 -3.942 4.885 18.785 1.00 0.00 C ATOM 215 OD1 ASN A 24 -2.943 4.881 18.098 1.00 0.00 O ATOM 216 ND2 ASN A 24 -3.882 4.480 20.024 1.00 0.00 N ATOM 0 H ASN A 24 -6.291 8.063 17.110 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.200 7.019 17.283 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.868 5.843 18.996 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.858 4.510 17.858 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.995 4.160 20.414 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.722 4.483 20.603 1.00 0.00 H new ATOM 223 N ILE A 25 -4.878 6.189 14.653 1.00 0.00 N ATOM 224 CA ILE A 25 -4.546 5.505 13.369 1.00 0.00 C ATOM 225 C ILE A 25 -3.108 5.824 12.949 1.00 0.00 C ATOM 226 O ILE A 25 -2.511 5.118 12.161 1.00 0.00 O ATOM 227 CB ILE A 25 -5.544 6.067 12.357 1.00 0.00 C ATOM 228 CG1 ILE A 25 -6.971 5.834 12.864 1.00 0.00 C ATOM 229 CG2 ILE A 25 -5.362 5.363 11.012 1.00 0.00 C ATOM 230 CD1 ILE A 25 -7.198 4.339 13.096 1.00 0.00 C ATOM 0 H ILE A 25 -5.271 7.125 14.557 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.612 4.420 13.449 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.370 7.136 12.233 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.132 6.384 13.791 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.691 6.213 12.139 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.074 5.765 10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.347 5.528 10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.534 4.294 11.135 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.214 4.177 13.457 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.055 3.800 12.160 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.487 3.974 13.837 1.00 0.00 H new ATOM 242 N GLN A 26 -2.548 6.883 13.465 1.00 0.00 N ATOM 243 CA GLN A 26 -1.150 7.248 13.093 1.00 0.00 C ATOM 244 C GLN A 26 -0.158 6.218 13.650 1.00 0.00 C ATOM 245 O GLN A 26 0.989 6.173 13.252 1.00 0.00 O ATOM 246 CB GLN A 26 -0.915 8.617 13.730 1.00 0.00 C ATOM 247 CG GLN A 26 -0.036 9.465 12.808 1.00 0.00 C ATOM 248 CD GLN A 26 0.067 10.886 13.367 1.00 0.00 C ATOM 249 OE1 GLN A 26 -0.567 11.794 12.869 1.00 0.00 O ATOM 250 NE2 GLN A 26 0.845 11.117 14.390 1.00 0.00 N ATOM 0 H GLN A 26 -2.998 7.513 14.129 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.006 7.269 12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.868 9.118 13.903 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.435 8.500 14.702 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.957 9.022 12.726 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.459 9.487 11.804 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.378 10.354 14.808 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.920 12.060 14.771 1.00 0.00 H new ATOM 259 N ALA A 27 -0.585 5.394 14.569 1.00 0.00 N ATOM 260 CA ALA A 27 0.341 4.376 15.146 1.00 0.00 C ATOM 261 C ALA A 27 0.994 3.550 14.032 1.00 0.00 C ATOM 262 O ALA A 27 2.160 3.220 14.094 1.00 0.00 O ATOM 263 CB ALA A 27 -0.544 3.488 16.021 1.00 0.00 C ATOM 0 H ALA A 27 -1.533 5.381 14.945 1.00 0.00 H new ATOM 0 HA ALA A 27 1.151 4.834 15.713 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.064 2.711 16.483 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.011 4.093 16.798 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.317 3.026 15.406 1.00 0.00 H new ATOM 269 N LEU A 28 0.249 3.213 13.015 1.00 0.00 N ATOM 270 CA LEU A 28 0.829 2.407 11.901 1.00 0.00 C ATOM 271 C LEU A 28 1.565 3.315 10.912 1.00 0.00 C ATOM 272 O LEU A 28 2.594 2.960 10.375 1.00 0.00 O ATOM 273 CB LEU A 28 -0.374 1.744 11.226 1.00 0.00 C ATOM 274 CG LEU A 28 -1.134 0.900 12.252 1.00 0.00 C ATOM 275 CD1 LEU A 28 -2.464 1.575 12.586 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.400 -0.489 11.667 1.00 0.00 C ATOM 0 H LEU A 28 -0.735 3.460 12.906 1.00 0.00 H new ATOM 0 HA LEU A 28 1.554 1.675 12.257 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.033 2.504 10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.041 1.117 10.399 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.538 0.807 13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.004 0.973 13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.275 2.565 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.062 1.669 11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.941 -1.093 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.997 -0.394 10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.452 -0.971 11.429 1.00 0.00 H new ATOM 288 N LEU A 29 1.043 4.486 10.666 1.00 0.00 N ATOM 289 CA LEU A 29 1.711 5.417 9.709 1.00 0.00 C ATOM 290 C LEU A 29 3.004 5.970 10.314 1.00 0.00 C ATOM 291 O LEU A 29 3.964 6.236 9.619 1.00 0.00 O ATOM 292 CB LEU A 29 0.703 6.546 9.488 1.00 0.00 C ATOM 293 CG LEU A 29 -0.025 6.330 8.162 1.00 0.00 C ATOM 294 CD1 LEU A 29 0.988 6.343 7.015 1.00 0.00 C ATOM 295 CD2 LEU A 29 -0.748 4.982 8.189 1.00 0.00 C ATOM 0 H LEU A 29 0.183 4.839 11.086 1.00 0.00 H new ATOM 0 HA LEU A 29 1.984 4.920 8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.014 6.573 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.215 7.508 9.481 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.752 7.128 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.469 6.189 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.502 7.304 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.716 5.545 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.267 4.829 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.022 4.183 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.471 4.973 9.005 1.00 0.00 H new ATOM 307 N LYS A 30 3.034 6.145 11.608 1.00 0.00 N ATOM 308 CA LYS A 30 4.262 6.687 12.265 1.00 0.00 C ATOM 309 C LYS A 30 5.508 5.921 11.806 1.00 0.00 C ATOM 310 O LYS A 30 6.388 6.472 11.176 1.00 0.00 O ATOM 311 CB LYS A 30 4.027 6.480 13.762 1.00 0.00 C ATOM 312 CG LYS A 30 3.552 7.792 14.391 1.00 0.00 C ATOM 313 CD LYS A 30 4.749 8.541 14.981 1.00 0.00 C ATOM 314 CE LYS A 30 4.962 8.101 16.431 1.00 0.00 C ATOM 315 NZ LYS A 30 4.753 9.334 17.240 1.00 0.00 N ATOM 0 H LYS A 30 2.261 5.936 12.240 1.00 0.00 H new ATOM 0 HA LYS A 30 4.433 7.734 12.013 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.283 5.699 13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.947 6.146 14.242 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.058 8.409 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.817 7.589 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.644 8.338 14.393 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.576 9.616 14.938 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.258 7.319 16.714 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.964 7.697 16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.882 9.114 18.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.442 10.058 16.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.789 9.692 17.085 1.00 0.00 H new ATOM 329 N ASP A 31 5.593 4.658 12.123 1.00 0.00 N ATOM 330 CA ASP A 31 6.787 3.863 11.711 1.00 0.00 C ATOM 331 C ASP A 31 6.838 3.721 10.186 1.00 0.00 C ATOM 332 O ASP A 31 7.891 3.547 9.605 1.00 0.00 O ATOM 333 CB ASP A 31 6.600 2.496 12.368 1.00 0.00 C ATOM 334 CG ASP A 31 7.773 1.586 12.001 1.00 0.00 C ATOM 335 OD1 ASP A 31 7.908 1.269 10.831 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.517 1.221 12.896 1.00 0.00 O ATOM 0 H ASP A 31 4.888 4.141 12.649 1.00 0.00 H new ATOM 0 HA ASP A 31 7.719 4.340 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.538 2.607 13.451 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.662 2.048 12.039 1.00 0.00 H new ATOM 341 N SER A 32 5.711 3.790 9.534 1.00 0.00 N ATOM 342 CA SER A 32 5.702 3.656 8.048 1.00 0.00 C ATOM 343 C SER A 32 6.524 4.778 7.408 1.00 0.00 C ATOM 344 O SER A 32 7.391 4.536 6.590 1.00 0.00 O ATOM 345 CB SER A 32 4.233 3.768 7.647 1.00 0.00 C ATOM 346 OG SER A 32 3.986 2.930 6.527 1.00 0.00 O ATOM 0 H SER A 32 4.797 3.933 9.963 1.00 0.00 H new ATOM 0 HA SER A 32 6.142 2.715 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.594 3.478 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.989 4.802 7.403 1.00 0.00 H new ATOM 0 HG SER A 32 3.043 2.999 6.269 1.00 0.00 H new ATOM 352 N ILE A 33 6.260 6.003 7.768 1.00 0.00 N ATOM 353 CA ILE A 33 7.027 7.138 7.177 1.00 0.00 C ATOM 354 C ILE A 33 8.515 7.007 7.512 1.00 0.00 C ATOM 355 O ILE A 33 9.369 7.166 6.661 1.00 0.00 O ATOM 356 CB ILE A 33 6.439 8.393 7.823 1.00 0.00 C ATOM 357 CG1 ILE A 33 4.975 8.545 7.405 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.227 9.622 7.364 1.00 0.00 C ATOM 359 CD1 ILE A 33 4.290 9.570 8.311 1.00 0.00 C ATOM 0 H ILE A 33 5.546 6.269 8.446 1.00 0.00 H new ATOM 0 HA ILE A 33 6.950 7.165 6.090 1.00 0.00 H new ATOM 0 HB ILE A 33 6.501 8.304 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.914 8.865 6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.464 7.584 7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.807 10.516 7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.271 9.517 7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.165 9.710 6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.247 9.679 8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.339 9.231 9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.795 10.531 8.220 1.00 0.00 H new ATOM 371 N VAL A 34 8.832 6.723 8.745 1.00 0.00 N ATOM 372 CA VAL A 34 10.267 6.586 9.133 1.00 0.00 C ATOM 373 C VAL A 34 10.954 5.525 8.269 1.00 0.00 C ATOM 374 O VAL A 34 12.163 5.505 8.140 1.00 0.00 O ATOM 375 CB VAL A 34 10.239 6.154 10.598 1.00 0.00 C ATOM 376 CG1 VAL A 34 11.671 5.989 11.108 1.00 0.00 C ATOM 377 CG2 VAL A 34 9.522 7.221 11.430 1.00 0.00 C ATOM 0 H VAL A 34 8.162 6.580 9.501 1.00 0.00 H new ATOM 0 HA VAL A 34 10.823 7.513 8.992 1.00 0.00 H new ATOM 0 HB VAL A 34 9.709 5.205 10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.652 5.681 12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.183 5.231 10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.200 6.938 11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.501 6.914 12.476 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.052 8.169 11.341 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.501 7.341 11.067 1.00 0.00 H new ATOM 387 N GLN A 35 10.197 4.642 7.680 1.00 0.00 N ATOM 388 CA GLN A 35 10.814 3.583 6.827 1.00 0.00 C ATOM 389 C GLN A 35 10.547 3.870 5.349 1.00 0.00 C ATOM 390 O GLN A 35 11.320 3.497 4.488 1.00 0.00 O ATOM 391 CB GLN A 35 10.134 2.282 7.253 1.00 0.00 C ATOM 392 CG GLN A 35 11.090 1.110 7.026 1.00 0.00 C ATOM 393 CD GLN A 35 11.991 0.941 8.250 1.00 0.00 C ATOM 394 OE1 GLN A 35 12.130 1.849 9.046 1.00 0.00 O ATOM 395 NE2 GLN A 35 12.614 -0.190 8.436 1.00 0.00 N ATOM 0 H GLN A 35 9.180 4.606 7.751 1.00 0.00 H new ATOM 0 HA GLN A 35 11.896 3.535 6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.849 2.335 8.304 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.218 2.134 6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.525 0.195 6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.696 1.288 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.498 -0.952 7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.217 -0.312 9.249 1.00 0.00 H new ATOM 404 N LEU A 36 9.462 4.527 5.042 1.00 0.00 N ATOM 405 CA LEU A 36 9.167 4.828 3.614 1.00 0.00 C ATOM 406 C LEU A 36 9.994 6.026 3.135 1.00 0.00 C ATOM 407 O LEU A 36 9.967 6.375 1.971 1.00 0.00 O ATOM 408 CB LEU A 36 7.674 5.141 3.557 1.00 0.00 C ATOM 409 CG LEU A 36 6.895 3.843 3.332 1.00 0.00 C ATOM 410 CD1 LEU A 36 5.632 3.839 4.197 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.499 3.739 1.861 1.00 0.00 C ATOM 0 H LEU A 36 8.772 4.866 5.713 1.00 0.00 H new ATOM 0 HA LEU A 36 9.423 3.991 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.354 5.615 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.469 5.846 2.752 1.00 0.00 H new ATOM 0 HG LEU A 36 7.523 2.995 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.081 2.913 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.911 3.914 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.003 4.687 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.944 2.815 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.874 4.590 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.396 3.737 1.242 1.00 0.00 H new ATOM 423 N CYS A 37 10.752 6.652 4.009 1.00 0.00 N ATOM 424 CA CYS A 37 11.590 7.810 3.569 1.00 0.00 C ATOM 425 C CYS A 37 12.410 7.383 2.350 1.00 0.00 C ATOM 426 O CYS A 37 12.382 8.014 1.312 1.00 0.00 O ATOM 427 CB CYS A 37 12.503 8.118 4.757 1.00 0.00 C ATOM 428 SG CYS A 37 11.569 9.021 6.017 1.00 0.00 S ATOM 0 H CYS A 37 10.824 6.412 4.998 1.00 0.00 H new ATOM 0 HA CYS A 37 11.003 8.684 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.898 7.192 5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.358 8.710 4.429 1.00 0.00 H new ATOM 433 N THR A 38 13.099 6.285 2.466 1.00 0.00 N ATOM 434 CA THR A 38 13.880 5.767 1.312 1.00 0.00 C ATOM 435 C THR A 38 12.907 5.066 0.357 1.00 0.00 C ATOM 436 O THR A 38 13.117 5.001 -0.837 1.00 0.00 O ATOM 437 CB THR A 38 14.867 4.767 1.925 1.00 0.00 C ATOM 438 OG1 THR A 38 15.843 5.475 2.677 1.00 0.00 O ATOM 439 CG2 THR A 38 15.558 3.970 0.816 1.00 0.00 C ATOM 0 H THR A 38 13.155 5.722 3.314 1.00 0.00 H new ATOM 0 HA THR A 38 14.404 6.540 0.750 1.00 0.00 H new ATOM 0 HB THR A 38 14.327 4.079 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.476 4.840 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.258 3.262 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.810 3.428 0.238 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.099 4.652 0.160 1.00 0.00 H new ATOM 447 N ALA A 39 11.829 4.559 0.897 1.00 0.00 N ATOM 448 CA ALA A 39 10.801 3.871 0.069 1.00 0.00 C ATOM 449 C ALA A 39 11.440 2.831 -0.866 1.00 0.00 C ATOM 450 O ALA A 39 11.886 1.793 -0.422 1.00 0.00 O ATOM 451 CB ALA A 39 10.101 4.992 -0.706 1.00 0.00 C ATOM 0 H ALA A 39 11.617 4.595 1.894 1.00 0.00 H new ATOM 0 HA ALA A 39 10.093 3.307 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.326 4.565 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.649 5.692 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.829 5.517 -1.324 1.00 0.00 H new ATOM 457 N ARG A 40 11.468 3.073 -2.159 1.00 0.00 N ATOM 458 CA ARG A 40 12.045 2.064 -3.088 1.00 0.00 C ATOM 459 C ARG A 40 11.462 0.668 -2.802 1.00 0.00 C ATOM 460 O ARG A 40 12.202 -0.292 -2.714 1.00 0.00 O ATOM 461 CB ARG A 40 13.547 2.083 -2.802 1.00 0.00 C ATOM 462 CG ARG A 40 14.318 2.285 -4.108 1.00 0.00 C ATOM 463 CD ARG A 40 15.704 1.650 -3.985 1.00 0.00 C ATOM 464 NE ARG A 40 16.357 2.373 -2.857 1.00 0.00 N ATOM 465 CZ ARG A 40 17.240 1.763 -2.113 1.00 0.00 C ATOM 466 NH1 ARG A 40 16.857 1.105 -1.053 1.00 0.00 N ATOM 467 NH2 ARG A 40 18.504 1.813 -2.432 1.00 0.00 N ATOM 0 H ARG A 40 11.117 3.922 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 40 11.819 2.290 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.783 2.884 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 40 13.849 1.148 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.773 1.836 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.412 3.349 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.633 0.582 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.273 1.761 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 40 16.114 3.345 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.868 1.067 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.547 0.628 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.801 2.328 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.195 1.337 -1.852 1.00 0.00 H new ATOM 481 N PRO A 41 10.152 0.584 -2.660 1.00 0.00 N ATOM 482 CA PRO A 41 9.519 -0.720 -2.378 1.00 0.00 C ATOM 483 C PRO A 41 9.268 -1.486 -3.680 1.00 0.00 C ATOM 484 O PRO A 41 8.504 -1.060 -4.522 1.00 0.00 O ATOM 485 CB PRO A 41 8.197 -0.341 -1.718 1.00 0.00 C ATOM 486 CG PRO A 41 7.878 1.038 -2.214 1.00 0.00 C ATOM 487 CD PRO A 41 9.149 1.659 -2.744 1.00 0.00 C ATOM 0 HA PRO A 41 10.136 -1.367 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.409 -1.045 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.283 -0.356 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.122 0.994 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.466 1.645 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.023 2.004 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.445 2.524 -2.151 1.00 0.00 H new ATOM 495 N GLU A 42 9.897 -2.617 -3.851 1.00 0.00 N ATOM 496 CA GLU A 42 9.678 -3.407 -5.099 1.00 0.00 C ATOM 497 C GLU A 42 8.179 -3.636 -5.313 1.00 0.00 C ATOM 498 O GLU A 42 7.720 -3.847 -6.419 1.00 0.00 O ATOM 499 CB GLU A 42 10.399 -4.735 -4.863 1.00 0.00 C ATOM 500 CG GLU A 42 10.138 -5.675 -6.042 1.00 0.00 C ATOM 501 CD GLU A 42 11.139 -6.831 -6.006 1.00 0.00 C ATOM 502 OE1 GLU A 42 11.563 -7.188 -4.918 1.00 0.00 O ATOM 503 OE2 GLU A 42 11.466 -7.341 -7.065 1.00 0.00 O ATOM 0 H GLU A 42 10.551 -3.028 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 42 10.054 -2.897 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.470 -4.565 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.050 -5.191 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.120 -6.061 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.229 -5.130 -6.982 1.00 0.00 H new ATOM 510 N ARG A 43 7.414 -3.589 -4.256 1.00 0.00 N ATOM 511 CA ARG A 43 5.944 -3.798 -4.381 1.00 0.00 C ATOM 512 C ARG A 43 5.248 -3.345 -3.091 1.00 0.00 C ATOM 513 O ARG A 43 5.176 -4.093 -2.135 1.00 0.00 O ATOM 514 CB ARG A 43 5.770 -5.302 -4.589 1.00 0.00 C ATOM 515 CG ARG A 43 4.409 -5.576 -5.233 1.00 0.00 C ATOM 516 CD ARG A 43 4.522 -6.771 -6.181 1.00 0.00 C ATOM 517 NE ARG A 43 4.340 -6.199 -7.544 1.00 0.00 N ATOM 518 CZ ARG A 43 5.246 -6.398 -8.461 1.00 0.00 C ATOM 519 NH1 ARG A 43 5.612 -7.612 -8.762 1.00 0.00 N ATOM 520 NH2 ARG A 43 5.785 -5.380 -9.076 1.00 0.00 N ATOM 0 H ARG A 43 7.746 -3.414 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 43 5.508 -3.227 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.568 -5.686 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.843 -5.823 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.665 -5.779 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.070 -4.696 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.491 -7.261 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.762 -7.521 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 43 3.507 -5.652 -7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.190 -8.406 -8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.320 -7.768 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.497 -4.430 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.494 -5.534 -9.793 1.00 0.00 H new ATOM 534 N PRO A 44 4.762 -2.127 -3.102 1.00 0.00 N ATOM 535 CA PRO A 44 4.074 -1.577 -1.907 1.00 0.00 C ATOM 536 C PRO A 44 2.725 -2.268 -1.695 1.00 0.00 C ATOM 537 O PRO A 44 2.176 -2.258 -0.609 1.00 0.00 O ATOM 538 CB PRO A 44 3.887 -0.100 -2.249 1.00 0.00 C ATOM 539 CG PRO A 44 3.898 -0.047 -3.743 1.00 0.00 C ATOM 540 CD PRO A 44 4.800 -1.161 -4.209 1.00 0.00 C ATOM 0 HA PRO A 44 4.634 -1.727 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.949 0.283 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.687 0.508 -1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.891 -0.171 -4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.263 0.919 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.442 -1.603 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.813 -0.805 -4.395 1.00 0.00 H new ATOM 548 N MET A 45 2.185 -2.868 -2.719 1.00 0.00 N ATOM 549 CA MET A 45 0.871 -3.557 -2.573 1.00 0.00 C ATOM 550 C MET A 45 0.955 -4.629 -1.482 1.00 0.00 C ATOM 551 O MET A 45 0.246 -4.582 -0.494 1.00 0.00 O ATOM 552 CB MET A 45 0.604 -4.195 -3.935 1.00 0.00 C ATOM 553 CG MET A 45 -0.118 -3.191 -4.835 1.00 0.00 C ATOM 554 SD MET A 45 0.105 -3.660 -6.569 1.00 0.00 S ATOM 555 CE MET A 45 -1.160 -2.568 -7.263 1.00 0.00 C ATOM 0 H MET A 45 2.596 -2.911 -3.651 1.00 0.00 H new ATOM 0 HA MET A 45 0.075 -2.872 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.543 -4.502 -4.395 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.001 -5.093 -3.815 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.179 -3.164 -4.589 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.274 -2.188 -4.666 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.196 -2.695 -8.345 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.131 -2.818 -6.835 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.916 -1.532 -7.027 1.00 0.00 H new ATOM 565 N ALA A 46 1.817 -5.594 -1.647 1.00 0.00 N ATOM 566 CA ALA A 46 1.944 -6.665 -0.618 1.00 0.00 C ATOM 567 C ALA A 46 2.848 -6.196 0.529 1.00 0.00 C ATOM 568 O ALA A 46 2.827 -6.746 1.610 1.00 0.00 O ATOM 569 CB ALA A 46 2.580 -7.847 -1.352 1.00 0.00 C ATOM 0 H ALA A 46 2.439 -5.688 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 46 0.983 -6.928 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.707 -8.679 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.934 -8.155 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.552 -7.550 -1.745 1.00 0.00 H new ATOM 575 N PHE A 47 3.641 -5.183 0.299 1.00 0.00 N ATOM 576 CA PHE A 47 4.543 -4.683 1.376 1.00 0.00 C ATOM 577 C PHE A 47 3.739 -4.388 2.646 1.00 0.00 C ATOM 578 O PHE A 47 4.117 -4.775 3.734 1.00 0.00 O ATOM 579 CB PHE A 47 5.147 -3.395 0.816 1.00 0.00 C ATOM 580 CG PHE A 47 6.040 -2.761 1.855 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.317 -3.308 2.118 1.00 0.00 C ATOM 582 CD2 PHE A 47 5.601 -1.621 2.562 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.153 -2.713 3.089 1.00 0.00 C ATOM 584 CE2 PHE A 47 6.437 -1.025 3.533 1.00 0.00 C ATOM 585 CZ PHE A 47 7.714 -1.571 3.797 1.00 0.00 C ATOM 0 H PHE A 47 3.703 -4.681 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 47 5.308 -5.411 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.719 -3.612 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.354 -2.703 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.653 -4.180 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.625 -1.204 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.128 -3.131 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.100 -0.153 4.073 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.354 -1.116 4.539 1.00 0.00 H new ATOM 595 N LEU A 48 2.634 -3.704 2.516 1.00 0.00 N ATOM 596 CA LEU A 48 1.808 -3.386 3.718 1.00 0.00 C ATOM 597 C LEU A 48 1.511 -4.663 4.510 1.00 0.00 C ATOM 598 O LEU A 48 1.608 -4.692 5.723 1.00 0.00 O ATOM 599 CB LEU A 48 0.518 -2.783 3.163 1.00 0.00 C ATOM 600 CG LEU A 48 -0.069 -1.809 4.187 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.639 -0.457 4.073 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.564 -1.623 3.917 1.00 0.00 C ATOM 0 H LEU A 48 2.268 -3.352 1.632 1.00 0.00 H new ATOM 0 HA LEU A 48 2.315 -2.703 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.720 -2.265 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.200 -3.573 2.942 1.00 0.00 H new ATOM 0 HG LEU A 48 0.073 -2.211 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.220 0.236 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.704 -0.587 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.498 -0.056 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.982 -0.929 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.705 -1.223 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.071 -2.584 3.999 1.00 0.00 H new ATOM 614 N ARG A 49 1.150 -5.721 3.835 1.00 0.00 N ATOM 615 CA ARG A 49 0.847 -6.994 4.553 1.00 0.00 C ATOM 616 C ARG A 49 2.082 -7.470 5.322 1.00 0.00 C ATOM 617 O ARG A 49 2.030 -7.706 6.513 1.00 0.00 O ATOM 618 CB ARG A 49 0.484 -7.992 3.451 1.00 0.00 C ATOM 619 CG ARG A 49 0.241 -9.369 4.073 1.00 0.00 C ATOM 620 CD ARG A 49 -0.302 -10.323 3.006 1.00 0.00 C ATOM 621 NE ARG A 49 -0.374 -11.650 3.678 1.00 0.00 N ATOM 622 CZ ARG A 49 0.258 -12.672 3.174 1.00 0.00 C ATOM 623 NH1 ARG A 49 1.563 -12.707 3.194 1.00 0.00 N ATOM 624 NH2 ARG A 49 -0.411 -13.662 2.651 1.00 0.00 N ATOM 0 H ARG A 49 1.052 -5.760 2.820 1.00 0.00 H new ATOM 0 HA ARG A 49 0.043 -6.879 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.408 -7.657 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.288 -8.049 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.169 -9.761 4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.467 -9.287 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.283 -10.005 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.353 -10.356 2.136 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.919 -11.759 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.088 -11.934 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.058 -13.507 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.431 -13.637 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.085 -14.461 2.257 1.00 0.00 H new ATOM 638 N GLU A 50 3.194 -7.609 4.653 1.00 0.00 N ATOM 639 CA GLU A 50 4.431 -8.069 5.345 1.00 0.00 C ATOM 640 C GLU A 50 5.077 -6.912 6.124 1.00 0.00 C ATOM 641 O GLU A 50 6.083 -7.086 6.782 1.00 0.00 O ATOM 642 CB GLU A 50 5.359 -8.542 4.226 1.00 0.00 C ATOM 643 CG GLU A 50 6.368 -9.544 4.787 1.00 0.00 C ATOM 644 CD GLU A 50 7.132 -10.199 3.635 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.492 -10.595 2.673 1.00 0.00 O ATOM 646 OE2 GLU A 50 8.345 -10.293 3.733 1.00 0.00 O ATOM 0 H GLU A 50 3.299 -7.424 3.656 1.00 0.00 H new ATOM 0 HA GLU A 50 4.224 -8.858 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.777 -9.004 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.881 -7.691 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.063 -9.039 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.853 -10.304 5.375 1.00 0.00 H new ATOM 653 N TYR A 51 4.509 -5.736 6.058 1.00 0.00 N ATOM 654 CA TYR A 51 5.099 -4.583 6.798 1.00 0.00 C ATOM 655 C TYR A 51 4.772 -4.695 8.293 1.00 0.00 C ATOM 656 O TYR A 51 5.648 -4.858 9.119 1.00 0.00 O ATOM 657 CB TYR A 51 4.441 -3.342 6.180 1.00 0.00 C ATOM 658 CG TYR A 51 4.748 -2.120 7.015 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.896 -1.344 6.745 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.880 -1.755 8.070 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.178 -0.203 7.530 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.163 -0.616 8.854 1.00 0.00 C ATOM 663 CZ TYR A 51 5.312 0.160 8.584 1.00 0.00 C ATOM 664 OH TYR A 51 5.588 1.274 9.351 1.00 0.00 O ATOM 0 H TYR A 51 3.665 -5.525 5.525 1.00 0.00 H new ATOM 0 HA TYR A 51 6.185 -4.544 6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.804 -3.197 5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.363 -3.487 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.559 -1.622 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.001 -2.348 8.276 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.056 0.391 7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.501 -0.338 9.661 1.00 0.00 H new ATOM 0 HH TYR A 51 6.411 1.124 9.861 1.00 0.00 H new ATOM 674 N PHE A 52 3.519 -4.606 8.646 1.00 0.00 N ATOM 675 CA PHE A 52 3.144 -4.704 10.086 1.00 0.00 C ATOM 676 C PHE A 52 3.128 -6.167 10.537 1.00 0.00 C ATOM 677 O PHE A 52 3.213 -6.464 11.712 1.00 0.00 O ATOM 678 CB PHE A 52 1.742 -4.100 10.174 1.00 0.00 C ATOM 679 CG PHE A 52 1.587 -3.377 11.491 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.281 -4.104 12.663 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.750 -1.975 11.550 1.00 0.00 C ATOM 682 CE1 PHE A 52 1.136 -3.428 13.895 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.603 -1.299 12.782 1.00 0.00 C ATOM 684 CZ PHE A 52 1.298 -2.024 13.955 1.00 0.00 C ATOM 0 H PHE A 52 2.740 -4.470 8.002 1.00 0.00 H new ATOM 0 HA PHE A 52 3.854 -4.185 10.730 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.579 -3.409 9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.990 -4.885 10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.158 -5.176 12.617 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.987 -1.420 10.654 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.901 -3.983 14.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.724 -0.227 12.827 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.189 -1.507 14.897 1.00 0.00 H new ATOM 694 N GLU A 53 3.020 -7.083 9.614 1.00 0.00 N ATOM 695 CA GLU A 53 2.999 -8.525 9.998 1.00 0.00 C ATOM 696 C GLU A 53 4.351 -8.934 10.591 1.00 0.00 C ATOM 697 O GLU A 53 4.419 -9.641 11.575 1.00 0.00 O ATOM 698 CB GLU A 53 2.736 -9.280 8.695 1.00 0.00 C ATOM 699 CG GLU A 53 2.720 -10.784 8.971 1.00 0.00 C ATOM 700 CD GLU A 53 4.095 -11.375 8.656 1.00 0.00 C ATOM 701 OE1 GLU A 53 4.570 -11.164 7.552 1.00 0.00 O ATOM 702 OE2 GLU A 53 4.650 -12.031 9.522 1.00 0.00 O ATOM 0 H GLU A 53 2.946 -6.897 8.614 1.00 0.00 H new ATOM 0 HA GLU A 53 2.242 -8.739 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.783 -8.968 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.507 -9.042 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.462 -10.970 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.956 -11.268 8.362 1.00 0.00 H new ATOM 709 N LYS A 54 5.426 -8.494 9.995 1.00 0.00 N ATOM 710 CA LYS A 54 6.773 -8.858 10.525 1.00 0.00 C ATOM 711 C LYS A 54 7.153 -7.934 11.685 1.00 0.00 C ATOM 712 O LYS A 54 7.786 -8.345 12.638 1.00 0.00 O ATOM 713 CB LYS A 54 7.728 -8.659 9.347 1.00 0.00 C ATOM 714 CG LYS A 54 8.518 -9.946 9.105 1.00 0.00 C ATOM 715 CD LYS A 54 8.754 -10.125 7.603 1.00 0.00 C ATOM 716 CE LYS A 54 8.404 -11.559 7.200 1.00 0.00 C ATOM 717 NZ LYS A 54 9.659 -12.333 7.416 1.00 0.00 N ATOM 0 H LYS A 54 5.431 -7.900 9.166 1.00 0.00 H new ATOM 0 HA LYS A 54 6.804 -9.878 10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.167 -8.391 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.410 -7.835 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.472 -9.904 9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.971 -10.801 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.143 -9.418 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.795 -9.911 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.588 -11.952 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.082 -11.610 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.501 -13.329 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.416 -11.940 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.937 -12.271 8.416 1.00 0.00 H new ATOM 731 N LEU A 55 6.772 -6.688 11.613 1.00 0.00 N ATOM 732 CA LEU A 55 7.112 -5.740 12.713 1.00 0.00 C ATOM 733 C LEU A 55 6.347 -6.109 13.984 1.00 0.00 C ATOM 734 O LEU A 55 6.764 -5.799 15.084 1.00 0.00 O ATOM 735 CB LEU A 55 6.673 -4.365 12.203 1.00 0.00 C ATOM 736 CG LEU A 55 7.883 -3.430 12.150 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.568 -2.238 11.244 1.00 0.00 C ATOM 738 CD2 LEU A 55 8.199 -2.927 13.561 1.00 0.00 C ATOM 0 H LEU A 55 6.241 -6.285 10.841 1.00 0.00 H new ATOM 0 HA LEU A 55 8.173 -5.762 12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.228 -4.458 11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.908 -3.950 12.858 1.00 0.00 H new ATOM 0 HG LEU A 55 8.743 -3.970 11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.430 -1.572 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.341 -2.595 10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.709 -1.697 11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.061 -2.261 13.525 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.339 -2.387 13.956 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.423 -3.775 14.208 1.00 0.00 H new ATOM 750 N GLU A 56 5.230 -6.769 13.847 1.00 0.00 N ATOM 751 CA GLU A 56 4.440 -7.156 15.050 1.00 0.00 C ATOM 752 C GLU A 56 5.320 -7.932 16.034 1.00 0.00 C ATOM 753 O GLU A 56 5.057 -7.968 17.220 1.00 0.00 O ATOM 754 CB GLU A 56 3.318 -8.048 14.516 1.00 0.00 C ATOM 755 CG GLU A 56 2.145 -8.036 15.500 1.00 0.00 C ATOM 756 CD GLU A 56 1.248 -9.248 15.240 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.513 -9.218 14.267 1.00 0.00 O ATOM 758 OE2 GLU A 56 1.310 -10.185 16.019 1.00 0.00 O ATOM 0 H GLU A 56 4.830 -7.057 12.954 1.00 0.00 H new ATOM 0 HA GLU A 56 4.053 -6.290 15.586 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.991 -7.693 13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.682 -9.066 14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.516 -8.058 16.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.572 -7.116 15.388 1.00 0.00 H new ATOM 765 N LYS A 57 6.361 -8.552 15.553 1.00 0.00 N ATOM 766 CA LYS A 57 7.257 -9.324 16.463 1.00 0.00 C ATOM 767 C LYS A 57 8.337 -8.407 17.044 1.00 0.00 C ATOM 768 O LYS A 57 8.531 -8.344 18.241 1.00 0.00 O ATOM 769 CB LYS A 57 7.886 -10.402 15.579 1.00 0.00 C ATOM 770 CG LYS A 57 6.850 -11.486 15.278 1.00 0.00 C ATOM 771 CD LYS A 57 7.563 -12.791 14.922 1.00 0.00 C ATOM 772 CE LYS A 57 6.600 -13.713 14.172 1.00 0.00 C ATOM 773 NZ LYS A 57 6.267 -14.792 15.143 1.00 0.00 N ATOM 0 H LYS A 57 6.631 -8.558 14.570 1.00 0.00 H new ATOM 0 HA LYS A 57 6.718 -9.754 17.307 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.246 -9.960 14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.750 -10.839 16.080 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.204 -11.637 16.143 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.210 -11.173 14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.438 -12.583 14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.920 -13.281 15.828 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.705 -13.177 13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.062 -14.120 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.609 -15.466 14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.137 -15.289 15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.822 -14.375 15.986 1.00 0.00 H new ATOM 787 N GLU A 58 9.043 -7.699 16.205 1.00 0.00 N ATOM 788 CA GLU A 58 10.109 -6.789 16.710 1.00 0.00 C ATOM 789 C GLU A 58 9.506 -5.436 17.105 1.00 0.00 C ATOM 790 O GLU A 58 9.783 -4.421 16.497 1.00 0.00 O ATOM 791 CB GLU A 58 11.077 -6.622 15.539 1.00 0.00 C ATOM 792 CG GLU A 58 12.353 -5.929 16.023 1.00 0.00 C ATOM 793 CD GLU A 58 13.221 -5.558 14.819 1.00 0.00 C ATOM 794 OE1 GLU A 58 12.660 -5.307 13.763 1.00 0.00 O ATOM 795 OE2 GLU A 58 14.429 -5.531 14.971 1.00 0.00 O ATOM 0 H GLU A 58 8.927 -7.712 15.192 1.00 0.00 H new ATOM 0 HA GLU A 58 10.606 -7.187 17.595 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.319 -7.595 15.112 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.610 -6.035 14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.100 -5.034 16.592 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.905 -6.588 16.694 1.00 0.00 H new ATOM 922 N CYS B 16 10.313 13.936 5.127 1.00 0.00 N ATOM 923 CA CYS B 16 9.821 12.529 5.151 1.00 0.00 C ATOM 924 C CYS B 16 8.310 12.496 5.399 1.00 0.00 C ATOM 925 O CYS B 16 7.630 11.561 5.024 1.00 0.00 O ATOM 926 CB CYS B 16 10.569 11.864 6.307 1.00 0.00 C ATOM 927 SG CYS B 16 11.999 10.964 5.662 1.00 0.00 S ATOM 0 HA CYS B 16 9.997 12.018 4.205 1.00 0.00 H new ATOM 0 HB2 CYS B 16 10.894 12.617 7.025 1.00 0.00 H new ATOM 0 HB3 CYS B 16 9.906 11.181 6.839 1.00 0.00 H new ATOM 932 N GLU B 17 7.779 13.507 6.032 1.00 0.00 N ATOM 933 CA GLU B 17 6.314 13.530 6.303 1.00 0.00 C ATOM 934 C GLU B 17 5.533 13.610 4.989 1.00 0.00 C ATOM 935 O GLU B 17 4.654 12.812 4.728 1.00 0.00 O ATOM 936 CB GLU B 17 6.085 14.791 7.139 1.00 0.00 C ATOM 937 CG GLU B 17 6.395 14.494 8.606 1.00 0.00 C ATOM 938 CD GLU B 17 5.182 13.830 9.260 1.00 0.00 C ATOM 939 OE1 GLU B 17 4.850 12.726 8.860 1.00 0.00 O ATOM 940 OE2 GLU B 17 4.607 14.435 10.150 1.00 0.00 O ATOM 0 H GLU B 17 8.296 14.317 6.373 1.00 0.00 H new ATOM 0 HA GLU B 17 5.976 12.631 6.819 1.00 0.00 H new ATOM 0 HB2 GLU B 17 6.721 15.600 6.778 1.00 0.00 H new ATOM 0 HB3 GLU B 17 5.053 15.127 7.035 1.00 0.00 H new ATOM 0 HG2 GLU B 17 7.264 13.841 8.680 1.00 0.00 H new ATOM 0 HG3 GLU B 17 6.644 15.417 9.130 1.00 0.00 H new ATOM 947 N LEU B 18 5.846 14.566 4.158 1.00 0.00 N ATOM 948 CA LEU B 18 5.120 14.696 2.861 1.00 0.00 C ATOM 949 C LEU B 18 5.792 13.843 1.777 1.00 0.00 C ATOM 950 O LEU B 18 5.499 13.974 0.606 1.00 0.00 O ATOM 951 CB LEU B 18 5.215 16.177 2.505 1.00 0.00 C ATOM 952 CG LEU B 18 3.810 16.767 2.385 1.00 0.00 C ATOM 953 CD1 LEU B 18 3.044 16.044 1.273 1.00 0.00 C ATOM 954 CD2 LEU B 18 3.068 16.592 3.712 1.00 0.00 C ATOM 0 H LEU B 18 6.573 15.263 4.320 1.00 0.00 H new ATOM 0 HA LEU B 18 4.088 14.354 2.935 1.00 0.00 H new ATOM 0 HB2 LEU B 18 5.780 16.710 3.270 1.00 0.00 H new ATOM 0 HB3 LEU B 18 5.754 16.302 1.566 1.00 0.00 H new ATOM 0 HG LEU B 18 3.882 17.828 2.145 1.00 0.00 H new ATOM 0 HD11 LEU B 18 2.042 16.465 1.188 1.00 0.00 H new ATOM 0 HD12 LEU B 18 3.572 16.169 0.327 1.00 0.00 H new ATOM 0 HD13 LEU B 18 2.972 14.983 1.511 1.00 0.00 H new ATOM 0 HD21 LEU B 18 2.066 17.013 3.627 1.00 0.00 H new ATOM 0 HD22 LEU B 18 2.997 15.531 3.952 1.00 0.00 H new ATOM 0 HD23 LEU B 18 3.612 17.107 4.504 1.00 0.00 H new ATOM 966 N TYR B 19 6.689 12.975 2.157 1.00 0.00 N ATOM 967 CA TYR B 19 7.376 12.121 1.143 1.00 0.00 C ATOM 968 C TYR B 19 6.461 10.978 0.682 1.00 0.00 C ATOM 969 O TYR B 19 6.812 10.207 -0.188 1.00 0.00 O ATOM 970 CB TYR B 19 8.601 11.567 1.869 1.00 0.00 C ATOM 971 CG TYR B 19 9.375 10.666 0.938 1.00 0.00 C ATOM 972 CD1 TYR B 19 10.396 11.202 0.120 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.080 9.286 0.888 1.00 0.00 C ATOM 974 CE1 TYR B 19 11.120 10.356 -0.750 1.00 0.00 C ATOM 975 CE2 TYR B 19 9.804 8.441 0.018 1.00 0.00 C ATOM 976 CZ TYR B 19 10.824 8.974 -0.802 1.00 0.00 C ATOM 977 OH TYR B 19 11.531 8.146 -1.651 1.00 0.00 O ATOM 0 H TYR B 19 6.976 12.819 3.123 1.00 0.00 H new ATOM 0 HA TYR B 19 7.643 12.682 0.248 1.00 0.00 H new ATOM 0 HB2 TYR B 19 9.235 12.385 2.211 1.00 0.00 H new ATOM 0 HB3 TYR B 19 8.292 11.012 2.755 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.622 12.257 0.160 1.00 0.00 H new ATOM 0 HD2 TYR B 19 8.301 8.877 1.515 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.900 10.765 -1.375 1.00 0.00 H new ATOM 0 HE2 TYR B 19 9.578 7.386 -0.021 1.00 0.00 H new ATOM 0 HH TYR B 19 10.912 7.711 -2.274 1.00 0.00 H new ATOM 987 N VAL B 20 5.291 10.857 1.255 1.00 0.00 N ATOM 988 CA VAL B 20 4.371 9.760 0.841 1.00 0.00 C ATOM 989 C VAL B 20 4.171 9.773 -0.677 1.00 0.00 C ATOM 990 O VAL B 20 4.647 8.907 -1.384 1.00 0.00 O ATOM 991 CB VAL B 20 3.053 10.057 1.557 1.00 0.00 C ATOM 992 CG1 VAL B 20 2.021 8.989 1.191 1.00 0.00 C ATOM 993 CG2 VAL B 20 3.281 10.045 3.070 1.00 0.00 C ATOM 0 H VAL B 20 4.935 11.469 1.989 1.00 0.00 H new ATOM 0 HA VAL B 20 4.764 8.776 1.098 1.00 0.00 H new ATOM 0 HB VAL B 20 2.687 11.037 1.251 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.082 9.201 1.701 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.858 8.995 0.113 1.00 0.00 H new ATOM 0 HG13 VAL B 20 2.387 8.009 1.497 1.00 0.00 H new ATOM 0 HG21 VAL B 20 2.342 10.257 3.581 1.00 0.00 H new ATOM 0 HG22 VAL B 20 3.647 9.065 3.375 1.00 0.00 H new ATOM 0 HG23 VAL B 20 4.017 10.805 3.333 1.00 0.00 H new ATOM 1003 N GLN B 21 3.467 10.749 -1.187 1.00 0.00 N ATOM 1004 CA GLN B 21 3.235 10.813 -2.659 1.00 0.00 C ATOM 1005 C GLN B 21 4.570 10.885 -3.407 1.00 0.00 C ATOM 1006 O GLN B 21 4.672 10.490 -4.551 1.00 0.00 O ATOM 1007 CB GLN B 21 2.428 12.093 -2.877 1.00 0.00 C ATOM 1008 CG GLN B 21 2.067 12.225 -4.359 1.00 0.00 C ATOM 1009 CD GLN B 21 1.030 13.335 -4.536 1.00 0.00 C ATOM 1010 OE1 GLN B 21 0.324 13.676 -3.608 1.00 0.00 O ATOM 1011 NE2 GLN B 21 0.905 13.917 -5.697 1.00 0.00 N ATOM 0 H GLN B 21 3.043 11.504 -0.648 1.00 0.00 H new ATOM 0 HA GLN B 21 2.712 9.932 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN B 21 1.522 12.071 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN B 21 3.006 12.959 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.960 12.451 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.672 11.281 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.497 13.632 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN B 21 0.215 14.657 -5.825 1.00 0.00 H new ATOM 1020 N LYS B 22 5.592 11.387 -2.770 1.00 0.00 N ATOM 1021 CA LYS B 22 6.917 11.483 -3.448 1.00 0.00 C ATOM 1022 C LYS B 22 7.318 10.119 -4.015 1.00 0.00 C ATOM 1023 O LYS B 22 8.104 10.026 -4.938 1.00 0.00 O ATOM 1024 CB LYS B 22 7.891 11.917 -2.352 1.00 0.00 C ATOM 1025 CG LYS B 22 9.104 12.598 -2.986 1.00 0.00 C ATOM 1026 CD LYS B 22 8.769 14.057 -3.294 1.00 0.00 C ATOM 1027 CE LYS B 22 10.047 14.896 -3.246 1.00 0.00 C ATOM 1028 NZ LYS B 22 9.609 16.281 -3.583 1.00 0.00 N ATOM 0 H LYS B 22 5.568 11.734 -1.811 1.00 0.00 H new ATOM 0 HA LYS B 22 6.906 12.183 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS B 22 7.397 12.601 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS B 22 8.209 11.052 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.958 12.545 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.389 12.079 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS B 22 8.307 14.135 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS B 22 8.046 14.435 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS B 22 10.509 14.857 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS B 22 10.786 14.531 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 10.431 16.918 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 9.179 16.288 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 8.910 16.604 -2.884 1.00 0.00 H new ATOM 1042 N HIS B 23 6.784 9.061 -3.472 1.00 0.00 N ATOM 1043 CA HIS B 23 7.133 7.704 -3.981 1.00 0.00 C ATOM 1044 C HIS B 23 5.866 6.861 -4.155 1.00 0.00 C ATOM 1045 O HIS B 23 5.870 5.667 -3.936 1.00 0.00 O ATOM 1046 CB HIS B 23 8.039 7.098 -2.911 1.00 0.00 C ATOM 1047 CG HIS B 23 9.191 6.391 -3.571 1.00 0.00 C ATOM 1048 ND1 HIS B 23 10.359 7.049 -3.920 1.00 0.00 N ATOM 1049 CD2 HIS B 23 9.368 5.084 -3.952 1.00 0.00 C ATOM 1050 CE1 HIS B 23 11.181 6.144 -4.486 1.00 0.00 C ATOM 1051 NE2 HIS B 23 10.625 4.931 -4.530 1.00 0.00 N ATOM 0 H HIS B 23 6.121 9.077 -2.697 1.00 0.00 H new ATOM 0 HA HIS B 23 7.623 7.743 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS B 23 8.410 7.880 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS B 23 7.474 6.399 -2.295 1.00 0.00 H new ATOM 0 HD2 HIS B 23 8.642 4.295 -3.823 1.00 0.00 H new ATOM 0 HE1 HIS B 23 12.169 6.372 -4.859 1.00 0.00 H new ATOM 0 HE2 HIS B 23 11.034 4.076 -4.906 1.00 0.00 H new ATOM 1059 N ASN B 24 4.783 7.475 -4.548 1.00 0.00 N ATOM 1060 CA ASN B 24 3.516 6.711 -4.740 1.00 0.00 C ATOM 1061 C ASN B 24 3.175 5.918 -3.475 1.00 0.00 C ATOM 1062 O ASN B 24 2.738 4.787 -3.538 1.00 0.00 O ATOM 1063 CB ASN B 24 3.803 5.760 -5.903 1.00 0.00 C ATOM 1064 CG ASN B 24 2.481 5.250 -6.482 1.00 0.00 C ATOM 1065 OD1 ASN B 24 1.484 5.195 -5.793 1.00 0.00 O ATOM 1066 ND2 ASN B 24 2.435 4.869 -7.731 1.00 0.00 N ATOM 0 H ASN B 24 4.720 8.474 -4.745 1.00 0.00 H new ATOM 0 HA ASN B 24 2.668 7.365 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN B 24 4.376 6.274 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.410 4.922 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.560 4.525 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN B 24 3.274 4.916 -8.310 1.00 0.00 H new ATOM 1073 N ILE B 25 3.376 6.503 -2.325 1.00 0.00 N ATOM 1074 CA ILE B 25 3.067 5.781 -1.057 1.00 0.00 C ATOM 1075 C ILE B 25 1.620 6.042 -0.628 1.00 0.00 C ATOM 1076 O ILE B 25 1.047 5.298 0.143 1.00 0.00 O ATOM 1077 CB ILE B 25 4.046 6.355 -0.033 1.00 0.00 C ATOM 1078 CG1 ILE B 25 5.479 6.181 -0.547 1.00 0.00 C ATOM 1079 CG2 ILE B 25 3.890 5.617 1.297 1.00 0.00 C ATOM 1080 CD1 ILE B 25 5.759 4.697 -0.795 1.00 0.00 C ATOM 0 H ILE B 25 3.740 7.449 -2.209 1.00 0.00 H new ATOM 0 HA ILE B 25 3.169 4.701 -1.162 1.00 0.00 H new ATOM 0 HB ILE B 25 3.836 7.414 0.115 1.00 0.00 H new ATOM 0 HG12 ILE B 25 5.617 6.746 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE B 25 6.188 6.579 0.180 1.00 0.00 H new ATOM 0 HG21 ILE B 25 4.589 6.028 2.025 1.00 0.00 H new ATOM 0 HG22 ILE B 25 2.871 5.739 1.663 1.00 0.00 H new ATOM 0 HG23 ILE B 25 4.099 4.557 1.152 1.00 0.00 H new ATOM 0 HD11 ILE B 25 6.779 4.575 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE B 25 5.639 4.143 0.136 1.00 0.00 H new ATOM 0 HD13 ILE B 25 5.059 4.314 -1.538 1.00 0.00 H new ATOM 1092 N GLN B 26 1.023 7.093 -1.121 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.386 7.401 -0.739 1.00 0.00 C ATOM 1094 C GLN B 26 -1.344 6.352 -1.318 1.00 0.00 C ATOM 1095 O GLN B 26 -2.489 6.261 -0.920 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.669 8.775 -1.347 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.574 9.575 -0.409 1.00 0.00 C ATOM 1098 CD GLN B 26 -1.725 11.004 -0.939 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -1.123 11.923 -0.423 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -2.511 11.229 -1.957 1.00 0.00 N ATOM 0 H GLN B 26 1.450 7.752 -1.772 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.527 7.392 0.342 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.266 9.311 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.146 8.662 -2.320 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.551 9.098 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -1.151 9.591 0.595 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.017 10.457 -2.391 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -2.619 12.177 -2.318 1.00 0.00 H new ATOM 1109 N ALA B 27 -0.891 5.561 -2.252 1.00 0.00 N ATOM 1110 CA ALA B 27 -1.783 4.524 -2.850 1.00 0.00 C ATOM 1111 C ALA B 27 -2.404 3.653 -1.753 1.00 0.00 C ATOM 1112 O ALA B 27 -3.560 3.286 -1.820 1.00 0.00 O ATOM 1113 CB ALA B 27 -0.869 3.685 -3.746 1.00 0.00 C ATOM 0 H ALA B 27 0.057 5.587 -2.627 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.610 4.966 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.451 2.897 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.424 4.322 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.080 3.237 -3.143 1.00 0.00 H new ATOM 1119 N LEU B 28 -1.648 3.322 -0.743 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.197 2.474 0.356 1.00 0.00 C ATOM 1121 C LEU B 28 -2.962 3.337 1.363 1.00 0.00 C ATOM 1122 O LEU B 28 -3.977 2.935 1.895 1.00 0.00 O ATOM 1123 CB LEU B 28 -0.973 1.839 1.016 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.186 1.042 -0.026 1.00 0.00 C ATOM 1125 CD1 LEU B 28 1.118 1.771 -0.347 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.131 -0.349 0.530 1.00 0.00 C ATOM 0 H LEU B 28 -0.674 3.601 -0.630 1.00 0.00 H new ATOM 0 HA LEU B 28 -2.897 1.724 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.340 2.612 1.452 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.284 1.185 1.830 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.781 0.944 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.679 1.203 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.893 2.762 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.713 1.869 0.561 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.692 -0.918 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.726 -0.251 1.438 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -0.799 -0.870 0.760 1.00 0.00 H new ATOM 1138 N LEU B 29 -2.478 4.519 1.633 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.175 5.407 2.610 1.00 0.00 C ATOM 1140 C LEU B 29 -4.487 5.926 2.014 1.00 0.00 C ATOM 1141 O LEU B 29 -5.453 6.147 2.718 1.00 0.00 O ATOM 1142 CB LEU B 29 -2.205 6.564 2.852 1.00 0.00 C ATOM 1143 CG LEU B 29 -1.467 6.347 4.173 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -2.478 6.302 5.320 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -0.701 5.022 4.118 1.00 0.00 C ATOM 0 H LEU B 29 -1.631 4.909 1.220 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.430 4.885 3.532 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -1.491 6.631 2.031 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -2.749 7.508 2.879 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.767 7.166 4.336 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.952 6.147 6.262 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.025 7.244 5.360 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.178 5.483 5.156 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.175 4.867 5.060 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.402 4.203 3.955 1.00 0.00 H new ATOM 0 HD23 LEU B 29 0.019 5.052 3.300 1.00 0.00 H new ATOM 1157 N LYS B 30 -4.524 6.128 0.727 1.00 0.00 N ATOM 1158 CA LYS B 30 -5.769 6.642 0.083 1.00 0.00 C ATOM 1159 C LYS B 30 -6.989 5.825 0.528 1.00 0.00 C ATOM 1160 O LYS B 30 -7.888 6.335 1.169 1.00 0.00 O ATOM 1161 CB LYS B 30 -5.535 6.474 -1.419 1.00 0.00 C ATOM 1162 CG LYS B 30 -5.105 7.812 -2.021 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.328 8.531 -2.594 1.00 0.00 C ATOM 1164 CE LYS B 30 -6.527 8.116 -4.053 1.00 0.00 C ATOM 1165 NZ LYS B 30 -6.362 9.373 -4.834 1.00 0.00 N ATOM 0 H LYS B 30 -3.745 5.960 0.090 1.00 0.00 H new ATOM 0 HA LYS B 30 -5.970 7.678 0.357 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -4.768 5.720 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.446 6.122 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -4.631 8.430 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -4.365 7.649 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -7.215 8.284 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -6.193 9.611 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -5.796 7.365 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -7.514 7.680 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -6.484 9.171 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -7.075 10.066 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -5.411 9.761 -4.671 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.032 4.567 0.187 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.198 3.724 0.583 1.00 0.00 C ATOM 1181 C ASP B 31 -8.241 3.547 2.104 1.00 0.00 C ATOM 1182 O ASP B 31 -9.286 3.322 2.681 1.00 0.00 O ATOM 1183 CB ASP B 31 -7.967 2.380 -0.105 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.109 1.421 0.245 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -9.229 1.075 1.408 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -9.841 1.051 -0.656 1.00 0.00 O ATOM 0 H ASP B 31 -6.310 4.085 -0.349 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.147 4.176 0.292 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.912 2.517 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.014 1.957 0.211 1.00 0.00 H new ATOM 1191 N SER B 32 -7.116 3.645 2.757 1.00 0.00 N ATOM 1192 CA SER B 32 -7.101 3.478 4.239 1.00 0.00 C ATOM 1193 C SER B 32 -7.961 4.558 4.904 1.00 0.00 C ATOM 1194 O SER B 32 -8.819 4.270 5.715 1.00 0.00 O ATOM 1195 CB SER B 32 -5.636 3.633 4.641 1.00 0.00 C ATOM 1196 OG SER B 32 -5.359 2.779 5.743 1.00 0.00 O ATOM 0 H SER B 32 -6.209 3.833 2.331 1.00 0.00 H new ATOM 0 HA SER B 32 -7.508 2.516 4.550 1.00 0.00 H new ATOM 0 HB2 SER B 32 -4.988 3.384 3.801 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.428 4.669 4.908 1.00 0.00 H new ATOM 0 HG SER B 32 -4.419 2.875 6.003 1.00 0.00 H new ATOM 1202 N ILE B 33 -7.738 5.799 4.568 1.00 0.00 N ATOM 1203 CA ILE B 33 -8.541 6.896 5.181 1.00 0.00 C ATOM 1204 C ILE B 33 -10.026 6.721 4.846 1.00 0.00 C ATOM 1205 O ILE B 33 -10.883 6.834 5.700 1.00 0.00 O ATOM 1206 CB ILE B 33 -7.999 8.182 4.560 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -6.540 8.375 4.978 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -8.826 9.375 5.045 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -5.892 9.440 4.093 1.00 0.00 C ATOM 0 H ILE B 33 -7.034 6.101 3.895 1.00 0.00 H new ATOM 0 HA ILE B 33 -8.461 6.904 6.268 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.063 8.113 3.474 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.487 8.675 6.024 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -5.998 7.434 4.889 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -8.438 10.292 4.601 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -9.866 9.241 4.749 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -8.764 9.443 6.131 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -4.853 9.577 4.391 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -5.932 9.121 3.051 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.429 10.382 4.205 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.337 6.451 3.608 1.00 0.00 N ATOM 1222 CA VAL B 34 -11.765 6.276 3.219 1.00 0.00 C ATOM 1223 C VAL B 34 -12.415 5.172 4.061 1.00 0.00 C ATOM 1224 O VAL B 34 -13.622 5.110 4.190 1.00 0.00 O ATOM 1225 CB VAL B 34 -11.726 5.873 1.745 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.154 5.670 1.231 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.049 6.981 0.934 1.00 0.00 C ATOM 0 H VAL B 34 -9.664 6.344 2.849 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.350 7.182 3.380 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.166 4.944 1.638 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.125 5.383 0.180 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -13.640 4.884 1.809 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -13.715 6.599 1.338 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.020 6.696 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -11.612 7.908 1.043 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.032 7.129 1.298 1.00 0.00 H new ATOM 1237 N GLN B 35 -11.629 4.303 4.630 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.207 3.208 5.463 1.00 0.00 C ATOM 1239 C GLN B 35 -11.949 3.474 6.947 1.00 0.00 C ATOM 1240 O GLN B 35 -12.710 3.063 7.798 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.483 1.939 5.010 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.397 0.729 5.213 1.00 0.00 C ATOM 1243 CD GLN B 35 -13.296 0.555 3.988 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -13.464 1.473 3.210 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -13.881 -0.592 3.779 1.00 0.00 N ATOM 0 H GLN B 35 -10.612 4.302 4.556 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.287 3.126 5.341 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.202 2.023 3.960 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -10.561 1.811 5.578 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -11.799 -0.169 5.369 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -13.005 0.866 6.107 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -13.740 -1.363 4.432 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -14.479 -0.718 2.963 1.00 0.00 H new ATOM 1254 N LEU B 36 -10.886 4.160 7.265 1.00 0.00 N ATOM 1255 CA LEU B 36 -10.599 4.443 8.699 1.00 0.00 C ATOM 1256 C LEU B 36 -11.466 5.604 9.203 1.00 0.00 C ATOM 1257 O LEU B 36 -11.449 5.928 10.373 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.117 4.803 8.758 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.294 3.528 8.952 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -7.032 3.586 8.087 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -7.897 3.402 10.421 1.00 0.00 C ATOM 0 H LEU B 36 -10.209 4.534 6.600 1.00 0.00 H new ATOM 0 HA LEU B 36 -10.826 3.587 9.334 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -8.817 5.307 7.839 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -8.932 5.497 9.578 1.00 0.00 H new ATOM 0 HG LEU B 36 -8.891 2.666 8.656 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.451 2.675 8.230 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -7.314 3.676 7.038 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.432 4.449 8.376 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.310 2.494 10.563 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.302 4.268 10.713 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.795 3.354 11.038 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.243 6.222 8.342 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.119 7.342 8.806 1.00 0.00 C ATOM 1275 C CYS B 37 -13.921 6.864 10.016 1.00 0.00 C ATOM 1276 O CYS B 37 -13.915 7.475 11.068 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.043 7.644 7.626 1.00 0.00 C ATOM 1278 SG CYS B 37 -13.136 8.594 6.379 1.00 0.00 S ATOM 0 H CYS B 37 -12.307 6.001 7.348 1.00 0.00 H new ATOM 0 HA CYS B 37 -12.561 8.229 9.104 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -14.413 6.715 7.193 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -14.913 8.206 7.966 1.00 0.00 H new ATOM 1283 N THR B 38 -14.573 5.743 9.883 1.00 0.00 N ATOM 1284 CA THR B 38 -15.334 5.175 11.026 1.00 0.00 C ATOM 1285 C THR B 38 -14.334 4.491 11.963 1.00 0.00 C ATOM 1286 O THR B 38 -14.537 4.394 13.158 1.00 0.00 O ATOM 1287 CB THR B 38 -16.287 4.156 10.393 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.290 4.843 9.658 1.00 0.00 O ATOM 1289 CG2 THR B 38 -16.946 3.311 11.488 1.00 0.00 C ATOM 0 H THR B 38 -14.610 5.193 9.025 1.00 0.00 H new ATOM 0 HA THR B 38 -15.885 5.916 11.605 1.00 0.00 H new ATOM 0 HB THR B 38 -15.725 3.503 9.725 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.900 4.193 9.251 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.623 2.588 11.032 1.00 0.00 H new ATOM 0 HG22 THR B 38 -16.177 2.783 12.052 1.00 0.00 H new ATOM 0 HG23 THR B 38 -17.508 3.960 12.160 1.00 0.00 H new ATOM 1297 N ALA B 39 -13.241 4.029 11.411 1.00 0.00 N ATOM 1298 CA ALA B 39 -12.189 3.359 12.224 1.00 0.00 C ATOM 1299 C ALA B 39 -12.791 2.279 13.139 1.00 0.00 C ATOM 1300 O ALA B 39 -13.199 1.233 12.672 1.00 0.00 O ATOM 1301 CB ALA B 39 -11.528 4.485 13.021 1.00 0.00 C ATOM 0 H ALA B 39 -13.033 4.090 10.414 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.464 2.832 11.604 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.738 4.072 13.648 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -11.101 5.215 12.334 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -12.273 4.972 13.650 1.00 0.00 H new ATOM 1307 N ARG B 40 -12.825 2.492 14.435 1.00 0.00 N ATOM 1308 CA ARG B 40 -13.367 1.447 15.346 1.00 0.00 C ATOM 1309 C ARG B 40 -12.738 0.077 15.033 1.00 0.00 C ATOM 1310 O ARG B 40 -13.446 -0.904 14.926 1.00 0.00 O ATOM 1311 CB ARG B 40 -14.869 1.420 15.062 1.00 0.00 C ATOM 1312 CG ARG B 40 -15.643 1.570 16.373 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.008 0.891 16.237 1.00 0.00 C ATOM 1314 NE ARG B 40 -17.686 1.616 15.127 1.00 0.00 N ATOM 1315 CZ ARG B 40 -18.550 0.992 14.374 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -18.149 0.370 13.299 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -19.816 0.994 14.693 1.00 0.00 N ATOM 0 H ARG B 40 -12.501 3.343 14.894 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.148 1.662 16.392 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -15.134 2.226 14.377 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.140 0.484 14.573 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.082 1.122 17.193 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -15.772 2.625 16.614 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -16.901 -0.170 16.009 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.579 0.962 17.163 1.00 0.00 H new ATOM 0 HE ARG B 40 -17.475 2.599 14.955 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -17.160 0.372 13.048 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -18.824 -0.118 12.710 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -20.130 1.483 15.531 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -20.491 0.506 14.104 1.00 0.00 H new ATOM 1331 N PRO B 41 -11.427 0.042 14.886 1.00 0.00 N ATOM 1332 CA PRO B 41 -10.751 -1.236 14.577 1.00 0.00 C ATOM 1333 C PRO B 41 -10.472 -2.018 15.863 1.00 0.00 C ATOM 1334 O PRO B 41 -9.723 -1.581 16.713 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.444 -0.800 13.924 1.00 0.00 C ATOM 1336 CG PRO B 41 -9.169 0.580 14.448 1.00 0.00 C ATOM 1337 CD PRO B 41 -10.459 1.148 14.991 1.00 0.00 C ATOM 0 HA PRO B 41 -11.347 -1.891 13.941 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -8.633 -1.483 14.176 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -9.531 -0.796 12.838 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -8.411 0.545 15.230 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -8.778 1.217 13.654 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -10.343 1.477 16.024 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -10.784 2.015 14.415 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.059 -3.174 16.011 1.00 0.00 N ATOM 1346 CA GLU B 42 -10.813 -3.979 17.243 1.00 0.00 C ATOM 1347 C GLU B 42 -9.305 -4.164 17.449 1.00 0.00 C ATOM 1348 O GLU B 42 -8.838 -4.383 18.549 1.00 0.00 O ATOM 1349 CB GLU B 42 -11.489 -5.325 16.982 1.00 0.00 C ATOM 1350 CG GLU B 42 -11.192 -6.280 18.140 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.153 -7.471 18.079 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -12.564 -7.819 16.985 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -12.459 -8.012 19.130 1.00 0.00 O ATOM 0 H GLU B 42 -11.696 -3.596 15.335 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.205 -3.499 18.140 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.565 -5.189 16.876 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.128 -5.749 16.045 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -10.161 -6.628 18.083 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -11.301 -5.760 19.092 1.00 0.00 H new ATOM 1360 N ARG B 43 -8.545 -4.070 16.393 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.067 -4.232 16.512 1.00 0.00 C ATOM 1362 C ARG B 43 -6.388 -3.730 15.231 1.00 0.00 C ATOM 1363 O ARG B 43 -6.294 -4.454 14.262 1.00 0.00 O ATOM 1364 CB ARG B 43 -6.843 -5.733 16.690 1.00 0.00 C ATOM 1365 CG ARG B 43 -5.471 -5.974 17.326 1.00 0.00 C ATOM 1366 CD ARG B 43 -5.541 -7.191 18.251 1.00 0.00 C ATOM 1367 NE ARG B 43 -5.377 -6.639 19.624 1.00 0.00 N ATOM 1368 CZ ARG B 43 -6.276 -6.888 20.540 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -6.600 -8.121 20.817 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -6.847 -5.903 21.176 1.00 0.00 N ATOM 0 H ARG B 43 -8.885 -3.887 15.449 1.00 0.00 H new ATOM 0 HA ARG B 43 -6.649 -3.663 17.343 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -7.626 -6.156 17.319 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -6.902 -6.237 15.725 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.723 -6.137 16.550 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.160 -5.094 17.889 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -6.492 -7.713 18.146 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -4.756 -7.910 18.018 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.563 -6.067 19.850 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -6.152 -8.890 20.319 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -7.301 -8.316 21.532 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -6.592 -4.940 20.959 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -7.549 -6.096 21.891 1.00 0.00 H new ATOM 1384 N PRO B 44 -5.944 -2.496 15.267 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.280 -1.898 14.082 1.00 0.00 C ATOM 1386 C PRO B 44 -3.907 -2.538 13.854 1.00 0.00 C ATOM 1387 O PRO B 44 -3.361 -2.488 12.769 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.142 -0.423 14.455 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.153 -0.401 15.948 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.014 -1.554 16.392 1.00 0.00 C ATOM 0 HA PRO B 44 -5.838 -2.048 13.158 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.218 -0.001 14.061 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -5.962 0.166 14.045 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.142 -0.498 16.344 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -5.551 0.544 16.318 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -5.640 -2.002 17.313 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.039 -1.237 16.585 1.00 0.00 H new ATOM 1398 N MET B 45 -3.345 -3.140 14.866 1.00 0.00 N ATOM 1399 CA MET B 45 -2.011 -3.781 14.703 1.00 0.00 C ATOM 1400 C MET B 45 -2.060 -4.833 13.590 1.00 0.00 C ATOM 1401 O MET B 45 -1.353 -4.741 12.607 1.00 0.00 O ATOM 1402 CB MET B 45 -1.719 -4.438 16.052 1.00 0.00 C ATOM 1403 CG MET B 45 -1.029 -3.429 16.971 1.00 0.00 C ATOM 1404 SD MET B 45 -1.231 -3.941 18.696 1.00 0.00 S ATOM 1405 CE MET B 45 -0.003 -2.821 19.410 1.00 0.00 C ATOM 0 H MET B 45 -3.752 -3.215 15.798 1.00 0.00 H new ATOM 0 HA MET B 45 -1.240 -3.063 14.425 1.00 0.00 H new ATOM 0 HB2 MET B 45 -2.646 -4.786 16.507 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.084 -5.313 15.913 1.00 0.00 H new ATOM 0 HG2 MET B 45 0.030 -3.361 16.723 1.00 0.00 H new ATOM 0 HG3 MET B 45 -1.455 -2.437 16.823 1.00 0.00 H new ATOM 0 HE1 MET B 45 0.040 -2.969 20.489 1.00 0.00 H new ATOM 0 HE2 MET B 45 0.975 -3.029 18.976 1.00 0.00 H new ATOM 0 HE3 MET B 45 -0.283 -1.790 19.196 1.00 0.00 H new ATOM 1415 N ALA B 46 -2.889 -5.830 13.738 1.00 0.00 N ATOM 1416 CA ALA B 46 -2.981 -6.885 12.686 1.00 0.00 C ATOM 1417 C ALA B 46 -3.902 -6.422 11.552 1.00 0.00 C ATOM 1418 O ALA B 46 -3.863 -6.948 10.457 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.574 -8.101 13.397 1.00 0.00 C ATOM 0 H ALA B 46 -3.506 -5.961 14.540 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.013 -7.108 12.237 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.674 -8.924 12.689 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.916 -8.402 14.212 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.555 -7.846 13.798 1.00 0.00 H new ATOM 1425 N PHE B 47 -4.728 -5.442 11.802 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.648 -4.950 10.737 1.00 0.00 C ATOM 1427 C PHE B 47 -4.859 -4.605 9.471 1.00 0.00 C ATOM 1428 O PHE B 47 -5.225 -4.982 8.377 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.293 -3.696 11.325 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.210 -3.070 10.300 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.467 -3.654 10.027 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -6.811 -1.900 9.616 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.326 -3.068 9.070 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -7.670 -1.314 8.659 1.00 0.00 C ATOM 1435 CZ PHE B 47 -8.927 -1.898 8.384 1.00 0.00 C ATOM 0 H PHE B 47 -4.805 -4.961 12.698 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.389 -5.697 10.453 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -6.855 -3.951 12.223 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.523 -2.984 11.622 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.772 -4.549 10.550 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -5.850 -1.454 9.824 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.287 -3.514 8.863 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -7.365 -0.419 8.137 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.582 -1.451 7.651 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.777 -3.887 9.614 1.00 0.00 N ATOM 1446 CA LEU B 48 -2.965 -3.516 8.416 1.00 0.00 C ATOM 1447 C LEU B 48 -2.625 -4.766 7.598 1.00 0.00 C ATOM 1448 O LEU B 48 -2.722 -4.774 6.387 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.694 -2.881 8.981 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.142 -1.867 7.979 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.895 -0.543 8.122 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.346 -1.637 8.252 1.00 0.00 C ATOM 0 H LEU B 48 -3.420 -3.542 10.505 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.498 -2.838 7.750 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -1.911 -2.390 9.930 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.949 -3.651 9.183 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.272 -2.251 6.967 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.500 0.179 7.407 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.955 -0.704 7.927 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.767 -0.159 9.134 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.740 -0.914 7.537 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.475 -1.254 9.264 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.885 -2.579 8.149 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.226 -5.824 8.251 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.884 -7.071 7.510 1.00 0.00 C ATOM 1466 C ARG B 49 -3.104 -7.572 6.733 1.00 0.00 C ATOM 1467 O ARG B 49 -3.046 -7.781 5.537 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.481 -8.077 8.590 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.197 -9.434 7.940 1.00 0.00 C ATOM 1470 CD ARG B 49 -0.621 -10.390 8.986 1.00 0.00 C ATOM 1471 NE ARG B 49 -0.504 -11.701 8.285 1.00 0.00 N ATOM 1472 CZ ARG B 49 -1.102 -12.754 8.771 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -2.405 -12.832 8.753 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -0.396 -13.730 9.273 1.00 0.00 N ATOM 0 H ARG B 49 -2.122 -5.878 9.264 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.087 -6.916 6.783 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.597 -7.723 9.120 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.278 -8.174 9.328 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.114 -9.847 7.520 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.494 -9.314 7.115 1.00 0.00 H new ATOM 0 HD2 ARG B 49 0.349 -10.046 9.344 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -1.274 -10.464 9.856 1.00 0.00 H new ATOM 0 HE ARG B 49 0.043 -11.774 7.427 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -2.956 -12.070 8.359 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -2.872 -13.655 9.133 1.00 0.00 H new ATOM 0 HH21 ARG B 49 0.622 -13.669 9.285 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -0.862 -14.554 9.653 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.206 -7.763 7.402 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.430 -8.249 6.701 1.00 0.00 C ATOM 1490 C GLU B 50 -6.115 -7.101 5.947 1.00 0.00 C ATOM 1491 O GLU B 50 -7.116 -7.296 5.286 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.337 -8.776 7.812 1.00 0.00 C ATOM 1493 CG GLU B 50 -7.313 -9.801 7.231 1.00 0.00 C ATOM 1494 CD GLU B 50 -8.054 -10.506 8.369 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.399 -10.900 9.320 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -9.261 -10.640 8.270 1.00 0.00 O ATOM 0 H GLU B 50 -4.314 -7.604 8.404 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.200 -9.014 5.960 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.738 -9.234 8.599 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -6.887 -7.953 8.268 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -8.026 -9.306 6.571 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.773 -10.531 6.628 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.589 -5.907 6.035 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.219 -4.760 5.319 1.00 0.00 C ATOM 1505 C TYR B 51 -5.891 -4.832 3.823 1.00 0.00 C ATOM 1506 O TYR B 51 -6.763 -5.011 2.995 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.602 -3.511 5.961 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.950 -2.281 5.150 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.124 -1.551 5.440 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.099 -1.866 4.103 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.446 -0.403 4.680 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.420 -0.721 3.342 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.593 0.011 3.629 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.909 1.131 2.887 1.00 0.00 O ATOM 0 H TYR B 51 -4.752 -5.678 6.571 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.306 -4.758 5.400 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -5.969 -3.399 6.981 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.519 -3.621 6.022 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.775 -1.869 6.241 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.201 -2.425 3.884 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.342 0.158 4.901 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.769 -0.405 2.541 1.00 0.00 H new ATOM 0 HH TYR B 51 -7.760 0.987 2.423 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.643 -4.689 3.470 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.268 -4.744 2.027 1.00 0.00 C ATOM 1526 C PHE B 52 -4.204 -6.199 1.546 1.00 0.00 C ATOM 1527 O PHE B 52 -4.286 -6.474 0.366 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.886 -4.095 1.949 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.758 -3.341 0.647 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -2.428 -4.031 -0.540 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.967 -1.943 0.618 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.309 -3.325 -1.758 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.847 -1.237 -0.601 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.517 -1.928 -1.788 1.00 0.00 C ATOM 0 H PHE B 52 -3.868 -4.537 4.116 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.995 -4.234 1.396 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.743 -3.417 2.790 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -2.110 -4.857 2.018 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.267 -5.099 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -3.218 -1.415 1.526 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -2.059 -3.853 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -3.008 -0.169 -0.625 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.424 -1.388 -2.719 1.00 0.00 H new ATOM 1544 N GLU B 53 -4.061 -7.129 2.450 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.994 -8.560 2.037 1.00 0.00 C ATOM 1546 C GLU B 53 -5.331 -9.002 1.439 1.00 0.00 C ATOM 1547 O GLU B 53 -5.378 -9.691 0.439 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.700 -9.333 3.324 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.636 -10.830 3.017 1.00 0.00 C ATOM 1550 CD GLU B 53 -4.989 -11.473 3.323 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -5.468 -11.301 4.432 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -5.525 -12.125 2.442 1.00 0.00 O ATOM 0 H GLU B 53 -3.988 -6.961 3.453 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.233 -8.733 1.276 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.756 -8.999 3.754 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.475 -9.136 4.064 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.376 -10.986 1.970 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.855 -11.301 3.613 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.421 -8.612 2.044 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.756 -9.011 1.509 1.00 0.00 C ATOM 1561 C LYS B 54 -8.167 -8.078 0.367 1.00 0.00 C ATOM 1562 O LYS B 54 -8.784 -8.493 -0.594 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.715 -8.867 2.690 1.00 0.00 C ATOM 1564 CG LYS B 54 -9.461 -10.185 2.907 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.685 -10.403 4.406 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.288 -11.834 4.778 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.515 -12.645 4.548 1.00 0.00 N ATOM 0 H LYS B 54 -6.445 -8.035 2.885 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.754 -10.024 1.107 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -8.162 -8.598 3.590 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.425 -8.062 2.499 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.417 -10.164 2.385 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.888 -11.013 2.490 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.094 -9.689 4.980 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.731 -10.227 4.658 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -8.460 -12.187 4.163 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -8.962 -11.896 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -10.322 -13.640 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.284 -12.290 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.797 -12.572 3.550 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.830 -6.822 0.464 1.00 0.00 N ATOM 1582 CA LEU B 55 -8.202 -5.863 -0.616 1.00 0.00 C ATOM 1583 C LEU B 55 -7.428 -6.182 -1.898 1.00 0.00 C ATOM 1584 O LEU B 55 -7.857 -5.864 -2.989 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.809 -4.485 -0.080 1.00 0.00 C ATOM 1586 CG LEU B 55 -9.049 -3.592 -0.006 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.775 -2.409 0.924 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -9.385 -3.070 -1.406 1.00 0.00 C ATOM 0 H LEU B 55 -7.313 -6.417 1.244 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.262 -5.915 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.359 -4.582 0.908 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -7.060 -4.031 -0.728 1.00 0.00 H new ATOM 0 HG LEU B 55 -9.888 -4.170 0.380 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.659 -1.774 0.975 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -8.535 -2.778 1.921 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -7.935 -1.831 0.539 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -10.268 -2.434 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.544 -2.493 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.582 -3.911 -2.070 1.00 0.00 H new ATOM 1600 N GLU B 56 -6.288 -6.806 -1.774 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.487 -7.142 -2.987 1.00 0.00 C ATOM 1602 C GLU B 56 -6.343 -7.927 -3.986 1.00 0.00 C ATOM 1603 O GLU B 56 -6.081 -7.930 -5.171 1.00 0.00 O ATOM 1604 CB GLU B 56 -4.335 -8.004 -2.475 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.166 -7.932 -3.460 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.226 -9.116 -3.226 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -1.492 -9.080 -2.253 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -2.258 -10.038 -4.024 1.00 0.00 O ATOM 0 H GLU B 56 -5.877 -7.097 -0.887 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.130 -6.252 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.017 -7.658 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -4.663 -9.037 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.539 -7.947 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.626 -6.994 -3.331 1.00 0.00 H new ATOM 1615 N LYS B 57 -7.363 -8.590 -3.515 1.00 0.00 N ATOM 1616 CA LYS B 57 -8.234 -9.371 -4.441 1.00 0.00 C ATOM 1617 C LYS B 57 -9.346 -8.481 -5.001 1.00 0.00 C ATOM 1618 O LYS B 57 -9.545 -8.398 -6.197 1.00 0.00 O ATOM 1619 CB LYS B 57 -8.825 -10.489 -3.580 1.00 0.00 C ATOM 1620 CG LYS B 57 -7.750 -11.542 -3.302 1.00 0.00 C ATOM 1621 CD LYS B 57 -8.420 -12.878 -2.970 1.00 0.00 C ATOM 1622 CE LYS B 57 -7.423 -13.781 -2.242 1.00 0.00 C ATOM 1623 NZ LYS B 57 -7.057 -14.830 -3.234 1.00 0.00 N ATOM 0 H LYS B 57 -7.631 -8.625 -2.532 1.00 0.00 H new ATOM 0 HA LYS B 57 -7.681 -9.762 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -9.200 -10.080 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -9.673 -10.946 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.102 -11.654 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -7.119 -11.223 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -9.299 -12.712 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -8.765 -13.361 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -6.546 -13.220 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -7.868 -14.220 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -6.375 -15.489 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -7.910 -15.352 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -6.630 -14.383 -4.070 1.00 0.00 H new ATOM 1637 N GLU B 58 -10.072 -7.814 -4.145 1.00 0.00 N ATOM 1638 CA GLU B 58 -11.170 -6.930 -4.632 1.00 0.00 C ATOM 1639 C GLU B 58 -10.616 -5.550 -4.999 1.00 0.00 C ATOM 1640 O GLU B 58 -10.925 -4.558 -4.370 1.00 0.00 O ATOM 1641 CB GLU B 58 -12.141 -6.820 -3.455 1.00 0.00 C ATOM 1642 CG GLU B 58 -13.438 -6.160 -3.922 1.00 0.00 C ATOM 1643 CD GLU B 58 -14.317 -5.843 -2.710 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -13.763 -5.599 -1.651 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -15.527 -5.850 -2.863 1.00 0.00 O ATOM 0 H GLU B 58 -9.953 -7.843 -3.132 1.00 0.00 H new ATOM 0 HA GLU B 58 -11.653 -7.326 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -12.350 -7.810 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.691 -6.235 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.215 -5.246 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.969 -6.822 -4.606 1.00 0.00 H new