USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 93 LYS NZ :NH3+ -113:sc= 1.12 (180deg=-1.2) USER MOD Set 1.2: B 97 GLN : amide:sc= -1.19 K(o=-0.064,f=-2.9!) USER MOD Set 2.1: A 52 GLN : amide:sc= -7.92! C(o=-11!,f=-16!) USER MOD Set 2.2: B 56 SER OG : rot 61:sc= 2.21 USER MOD Set 2.3: B 60 LYS NZ :NH3+ -117:sc= 0.466 (180deg=0) USER MOD Set 2.4: B 62 LYS NZ :NH3+ 165:sc= 0.588 (180deg=-0.0529) USER MOD Set 2.5: B 64 GLN : amide:sc= -6.64! C(o=-11!,f=-16!) USER MOD Single : B 13 LYS NZ :NH3+ -147:sc= 2.43 (180deg=0.779) USER MOD Single : B 14 LYS NZ :NH3+ -115:sc= 1.23 (180deg=-1.37!) USER MOD Single : B 17 GLN : amide:sc= -2.94! X(o=-2.9!,f=-2.6) USER MOD Single : B 18 LYS NZ :NH3+ 149:sc= -0.396 (180deg=-3.29!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -113:sc= -0.567 (180deg=-1.61) USER MOD Single : B 42 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.728 K(o=-0.73,f=-1.3) USER MOD Single : B 46 MET CE :methyl 166:sc= -0.0102 (180deg=-0.228) USER MOD Single : B 47 TYR OH : rot 159:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -3.91! USER MOD Single : B 53 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.2!) USER MOD Single : B 54 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.18) USER MOD Single : B 66 GLN : amide:sc= -4.62! C(o=-4.6!,f=-6.3!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.717 F(o=-2.9,f=-0.72) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= -0.535 K(o=-0.53,f=-5!) USER MOD Single : B 78 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-6.5!) USER MOD Single : B 80 SER OG : rot 19:sc= -0.758! USER MOD Single : B 81 ASN : amide:sc= 0.569 K(o=0.57,f=-5.7!) USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD Single : B 84 THR OG1 : rot -41:sc= -1.77! USER MOD Single : B 87 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.09) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 102 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.570 8.696 14.383 1.00 0.00 N ATOM 135 CA ILE A 50 -1.361 8.054 13.371 1.00 0.00 C ATOM 136 C ILE A 50 -1.924 6.717 13.832 1.00 0.00 C ATOM 137 O ILE A 50 -1.197 5.772 14.127 1.00 0.00 O ATOM 138 CB ILE A 50 -0.540 7.880 12.067 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.844 8.994 11.083 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.816 6.559 11.395 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.200 9.119 10.007 1.00 0.00 C ATOM 0 HA ILE A 50 -2.212 8.705 13.171 1.00 0.00 H new ATOM 0 HB ILE A 50 0.510 7.914 12.358 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.815 8.811 10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.920 9.939 11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.219 6.481 10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.555 5.745 12.071 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.874 6.494 11.141 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.069 9.931 9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.168 9.330 10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.259 8.186 9.447 1.00 0.00 H new ATOM 153 N GLU A 51 -3.234 6.729 13.952 1.00 0.00 N ATOM 154 CA GLU A 51 -4.059 5.567 14.272 1.00 0.00 C ATOM 155 C GLU A 51 -5.520 5.985 14.203 1.00 0.00 C ATOM 156 O GLU A 51 -6.377 5.532 14.954 1.00 0.00 O ATOM 157 CB GLU A 51 -3.720 4.879 15.594 1.00 0.00 C ATOM 158 CG GLU A 51 -2.895 3.613 15.387 1.00 0.00 C ATOM 159 CD GLU A 51 -3.288 2.867 14.119 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.277 2.103 14.154 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.617 3.057 13.080 1.00 0.00 O ATOM 0 H GLU A 51 -3.783 7.579 13.826 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.844 4.799 13.529 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.168 5.570 16.231 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.642 4.629 16.119 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.838 3.875 15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.022 2.955 16.247 1.00 0.00 H new ATOM 168 N GLN A 52 -5.751 6.894 13.268 1.00 0.00 N ATOM 169 CA GLN A 52 -7.062 7.421 12.944 1.00 0.00 C ATOM 170 C GLN A 52 -7.366 6.902 11.574 1.00 0.00 C ATOM 171 O GLN A 52 -7.131 7.540 10.546 1.00 0.00 O ATOM 172 CB GLN A 52 -7.087 8.961 13.013 1.00 0.00 C ATOM 173 CG GLN A 52 -6.155 9.674 12.028 1.00 0.00 C ATOM 174 CD GLN A 52 -4.689 9.316 12.206 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.027 9.808 13.113 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.165 8.463 11.332 1.00 0.00 N ATOM 0 H GLN A 52 -5.007 7.296 12.698 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.819 7.102 13.660 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.107 9.300 12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.823 9.268 14.025 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.459 9.428 11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.274 10.751 12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.745 8.073 10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.182 8.199 11.404 1.00 0.00 H new ATOM 185 N TRP A 53 -7.830 5.691 11.570 1.00 0.00 N ATOM 186 CA TRP A 53 -8.078 5.008 10.351 1.00 0.00 C ATOM 187 C TRP A 53 -9.462 4.444 10.278 1.00 0.00 C ATOM 188 O TRP A 53 -10.242 4.497 11.224 1.00 0.00 O ATOM 189 CB TRP A 53 -7.096 3.848 10.240 1.00 0.00 C ATOM 190 CG TRP A 53 -5.658 4.250 10.259 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.928 4.697 11.307 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.789 4.217 9.161 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.639 4.969 10.906 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.531 4.676 9.574 1.00 0.00 C ATOM 195 CE3 TRP A 53 -4.975 3.844 7.863 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.456 4.768 8.686 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.944 3.925 6.998 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.695 4.383 7.397 1.00 0.00 C ATOM 0 H TRP A 53 -8.045 5.155 12.411 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.962 5.729 9.542 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.277 3.155 11.062 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.296 3.306 9.316 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.302 4.822 12.312 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.892 5.328 11.501 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.939 3.487 7.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.487 5.125 9.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.093 3.627 5.971 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.896 4.436 6.673 1.00 0.00 H new ATOM 209 N PHE A 54 -9.750 3.972 9.098 1.00 0.00 N ATOM 210 CA PHE A 54 -10.963 3.280 8.809 1.00 0.00 C ATOM 211 C PHE A 54 -10.499 1.919 8.424 1.00 0.00 C ATOM 212 O PHE A 54 -10.052 1.718 7.291 1.00 0.00 O ATOM 213 CB PHE A 54 -11.724 3.918 7.661 1.00 0.00 C ATOM 214 CG PHE A 54 -11.900 5.386 7.817 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.164 5.937 9.057 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.820 6.214 6.722 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.341 7.284 9.202 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.005 7.561 6.851 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.268 8.107 8.096 1.00 0.00 C ATOM 0 H PHE A 54 -9.129 4.063 8.294 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.651 3.289 9.654 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.195 3.719 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.704 3.448 7.578 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.231 5.294 9.922 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.609 5.795 5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.537 7.703 10.178 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.946 8.200 5.982 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.415 9.172 8.201 1.00 0.00 H new ATOM 246 N GLU A 56 -10.720 -0.715 6.898 1.00 0.00 N ATOM 247 CA GLU A 56 -11.431 -1.343 5.791 1.00 0.00 C ATOM 248 C GLU A 56 -11.520 -2.850 5.963 1.00 0.00 C ATOM 249 O GLU A 56 -12.586 -3.449 5.820 1.00 0.00 O ATOM 250 CB GLU A 56 -10.694 -1.016 4.504 1.00 0.00 C ATOM 251 CG GLU A 56 -11.145 0.294 3.868 1.00 0.00 C ATOM 252 CD GLU A 56 -11.803 0.084 2.518 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.258 -0.692 1.708 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.851 0.704 2.254 1.00 0.00 O ATOM 0 HA GLU A 56 -12.450 -0.958 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.625 -0.963 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.842 -1.828 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.844 0.797 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.285 0.953 3.751 1.00 0.00 H new ATOM 261 N ASP A 57 -10.390 -3.452 6.263 1.00 0.00 N ATOM 262 CA ASP A 57 -10.323 -4.881 6.481 1.00 0.00 C ATOM 263 C ASP A 57 -9.836 -5.132 7.892 1.00 0.00 C ATOM 264 O ASP A 57 -8.723 -4.746 8.237 1.00 0.00 O ATOM 265 CB ASP A 57 -9.393 -5.544 5.453 1.00 0.00 C ATOM 266 CG ASP A 57 -9.463 -7.065 5.449 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.894 -7.659 6.456 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.066 -7.673 4.430 1.00 0.00 O ATOM 0 H ASP A 57 -9.497 -2.969 6.362 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.313 -5.320 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.645 -5.176 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.367 -5.238 5.655 1.00 0.00 H new ATOM 415 N GLU B 7 3.184 -9.438 -12.661 1.00 0.00 N ATOM 416 CA GLU B 7 2.783 -8.225 -13.353 1.00 0.00 C ATOM 417 C GLU B 7 2.489 -7.096 -12.372 1.00 0.00 C ATOM 418 O GLU B 7 2.092 -7.331 -11.227 1.00 0.00 O ATOM 419 CB GLU B 7 1.551 -8.485 -14.225 1.00 0.00 C ATOM 420 CG GLU B 7 0.289 -8.802 -13.438 1.00 0.00 C ATOM 421 CD GLU B 7 0.043 -10.291 -13.323 1.00 0.00 C ATOM 422 OE1 GLU B 7 0.991 -11.019 -12.956 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.089 -10.730 -13.604 1.00 0.00 O ATOM 0 HA GLU B 7 3.615 -7.921 -13.988 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.368 -7.609 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.764 -9.315 -14.898 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.368 -8.371 -12.440 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.566 -8.331 -13.922 1.00 0.00 H new ATOM 430 N VAL B 8 2.713 -5.869 -12.820 1.00 0.00 N ATOM 431 CA VAL B 8 2.445 -4.702 -12.009 1.00 0.00 C ATOM 432 C VAL B 8 0.993 -4.297 -12.209 1.00 0.00 C ATOM 433 O VAL B 8 0.543 -4.085 -13.334 1.00 0.00 O ATOM 434 CB VAL B 8 3.379 -3.524 -12.361 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.097 -2.326 -11.466 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.837 -3.947 -12.239 1.00 0.00 C ATOM 0 H VAL B 8 3.082 -5.661 -13.748 1.00 0.00 H new ATOM 0 HA VAL B 8 2.632 -4.954 -10.965 1.00 0.00 H new ATOM 0 HB VAL B 8 3.187 -3.232 -13.393 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.766 -1.508 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.063 -2.007 -11.600 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.259 -2.604 -10.425 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.482 -3.105 -12.490 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.039 -4.266 -11.217 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.035 -4.773 -12.923 1.00 0.00 H new ATOM 446 N LEU B 9 0.274 -4.200 -11.112 1.00 0.00 N ATOM 447 CA LEU B 9 -1.133 -3.869 -11.133 1.00 0.00 C ATOM 448 C LEU B 9 -1.343 -2.377 -11.001 1.00 0.00 C ATOM 449 O LEU B 9 -2.212 -1.801 -11.651 1.00 0.00 O ATOM 450 CB LEU B 9 -1.839 -4.591 -9.988 1.00 0.00 C ATOM 451 CG LEU B 9 -2.111 -6.072 -10.225 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.445 -6.765 -8.916 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.245 -6.250 -11.223 1.00 0.00 C ATOM 0 H LEU B 9 0.651 -4.349 -10.176 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.550 -4.188 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.234 -4.489 -9.087 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.787 -4.090 -9.794 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.211 -6.527 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.637 -7.822 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.607 -6.664 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.332 -6.307 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.427 -7.313 -11.381 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.149 -5.781 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.973 -5.783 -12.170 1.00 0.00 H new ATOM 465 N LEU B 10 -0.544 -1.747 -10.158 1.00 0.00 N ATOM 466 CA LEU B 10 -0.681 -0.326 -9.946 1.00 0.00 C ATOM 467 C LEU B 10 0.650 0.330 -9.637 1.00 0.00 C ATOM 468 O LEU B 10 1.461 -0.204 -8.881 1.00 0.00 O ATOM 469 CB LEU B 10 -1.607 -0.064 -8.771 1.00 0.00 C ATOM 470 CG LEU B 10 -2.421 1.230 -8.866 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.412 1.161 -10.018 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.146 1.503 -7.561 1.00 0.00 C ATOM 0 H LEU B 10 0.196 -2.194 -9.617 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.084 0.095 -10.867 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.296 -0.903 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.012 -0.035 -7.858 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.730 2.051 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.979 2.091 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.872 1.016 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.096 0.327 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.718 2.426 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.822 0.677 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.419 1.602 -6.755 1.00 0.00 H new ATOM 484 N ILE B 11 0.863 1.483 -10.234 1.00 0.00 N ATOM 485 CA ILE B 11 2.060 2.264 -9.985 1.00 0.00 C ATOM 486 C ILE B 11 1.665 3.592 -9.358 1.00 0.00 C ATOM 487 O ILE B 11 1.123 4.479 -10.024 1.00 0.00 O ATOM 488 CB ILE B 11 2.877 2.512 -11.273 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.347 1.178 -11.861 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.065 3.423 -10.983 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.251 1.320 -13.067 1.00 0.00 C ATOM 0 H ILE B 11 0.217 1.905 -10.902 1.00 0.00 H new ATOM 0 HA ILE B 11 2.697 1.697 -9.306 1.00 0.00 H new ATOM 0 HB ILE B 11 2.240 3.008 -12.005 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.874 0.618 -11.089 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.474 0.589 -12.142 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.630 3.588 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.706 4.379 -10.602 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.710 2.955 -10.239 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.540 0.331 -13.424 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.721 1.851 -13.858 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.144 1.880 -12.789 1.00 0.00 H new ATOM 503 N VAL B 12 1.941 3.712 -8.072 1.00 0.00 N ATOM 504 CA VAL B 12 1.627 4.911 -7.319 1.00 0.00 C ATOM 505 C VAL B 12 2.888 5.740 -7.148 1.00 0.00 C ATOM 506 O VAL B 12 3.972 5.190 -6.963 1.00 0.00 O ATOM 507 CB VAL B 12 1.041 4.565 -5.937 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.301 5.753 -5.357 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.122 3.356 -6.026 1.00 0.00 C ATOM 0 H VAL B 12 2.389 2.980 -7.521 1.00 0.00 H new ATOM 0 HA VAL B 12 0.878 5.479 -7.870 1.00 0.00 H new ATOM 0 HB VAL B 12 1.868 4.316 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.105 5.488 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.988 6.592 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.513 6.035 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.280 3.131 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.698 3.572 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.685 2.498 -6.393 1.00 0.00 H new ATOM 519 N LYS B 13 2.752 7.053 -7.205 1.00 0.00 N ATOM 520 CA LYS B 13 3.911 7.933 -7.101 1.00 0.00 C ATOM 521 C LYS B 13 3.853 8.816 -5.871 1.00 0.00 C ATOM 522 O LYS B 13 2.804 8.966 -5.248 1.00 0.00 O ATOM 523 CB LYS B 13 4.033 8.817 -8.340 1.00 0.00 C ATOM 524 CG LYS B 13 4.457 8.074 -9.600 1.00 0.00 C ATOM 525 CD LYS B 13 3.353 7.174 -10.155 1.00 0.00 C ATOM 526 CE LYS B 13 2.115 7.958 -10.572 1.00 0.00 C ATOM 527 NZ LYS B 13 0.863 7.182 -10.344 1.00 0.00 N ATOM 0 H LYS B 13 1.860 7.534 -7.322 1.00 0.00 H new ATOM 0 HA LYS B 13 4.784 7.285 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.073 9.301 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.755 9.608 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.748 8.797 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.337 7.469 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.736 6.622 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.076 6.438 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.071 8.892 -10.011 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.191 8.223 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.166 7.425 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.072 6.164 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.476 7.414 -9.407 1.00 0.00 H new ATOM 541 N LYS B 14 4.999 9.422 -5.567 1.00 0.00 N ATOM 542 CA LYS B 14 5.158 10.306 -4.423 1.00 0.00 C ATOM 543 C LYS B 14 4.594 9.694 -3.148 1.00 0.00 C ATOM 544 O LYS B 14 3.973 10.376 -2.332 1.00 0.00 O ATOM 545 CB LYS B 14 4.519 11.653 -4.724 1.00 0.00 C ATOM 546 CG LYS B 14 5.485 12.648 -5.352 1.00 0.00 C ATOM 547 CD LYS B 14 4.794 13.569 -6.346 1.00 0.00 C ATOM 548 CE LYS B 14 3.621 14.301 -5.719 1.00 0.00 C ATOM 549 NZ LYS B 14 4.041 15.218 -4.623 1.00 0.00 N ATOM 0 H LYS B 14 5.851 9.309 -6.117 1.00 0.00 H new ATOM 0 HA LYS B 14 6.224 10.453 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.673 11.505 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.123 12.075 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.950 13.246 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.285 12.106 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.512 14.294 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.445 12.986 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.101 14.873 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.910 13.573 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.647 14.883 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.079 15.235 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.690 16.177 -4.819 1.00 0.00 H new ATOM 563 N VAL B 15 4.811 8.402 -2.988 1.00 0.00 N ATOM 564 CA VAL B 15 4.351 7.697 -1.803 1.00 0.00 C ATOM 565 C VAL B 15 5.480 7.602 -0.792 1.00 0.00 C ATOM 566 O VAL B 15 6.533 7.053 -1.084 1.00 0.00 O ATOM 567 CB VAL B 15 3.832 6.279 -2.126 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.221 5.636 -0.886 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.819 6.340 -3.249 1.00 0.00 C ATOM 0 H VAL B 15 5.303 7.818 -3.664 1.00 0.00 H new ATOM 0 HA VAL B 15 3.519 8.267 -1.391 1.00 0.00 H new ATOM 0 HB VAL B 15 4.673 5.664 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.861 4.637 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.976 5.566 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.388 6.245 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.459 5.335 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.980 6.968 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.287 6.761 -4.139 1.00 0.00 H new ATOM 579 N ARG B 16 5.258 8.140 0.391 1.00 0.00 N ATOM 580 CA ARG B 16 6.259 8.125 1.432 1.00 0.00 C ATOM 581 C ARG B 16 6.004 6.986 2.393 1.00 0.00 C ATOM 582 O ARG B 16 4.873 6.758 2.820 1.00 0.00 O ATOM 583 CB ARG B 16 6.262 9.448 2.201 1.00 0.00 C ATOM 584 CG ARG B 16 6.333 10.670 1.308 1.00 0.00 C ATOM 585 CD ARG B 16 6.496 11.948 2.114 1.00 0.00 C ATOM 586 NE ARG B 16 7.824 12.039 2.724 1.00 0.00 N ATOM 587 CZ ARG B 16 8.897 12.517 2.091 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.775 13.070 0.892 1.00 0.00 N ATOM 589 NH2 ARG B 16 10.094 12.467 2.664 1.00 0.00 N ATOM 0 H ARG B 16 4.384 8.596 0.654 1.00 0.00 H new ATOM 0 HA ARG B 16 7.232 7.987 0.960 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.360 9.506 2.811 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.111 9.459 2.885 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.169 10.567 0.617 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.427 10.733 0.705 1.00 0.00 H new ATOM 0 HD2 ARG B 16 6.333 12.810 1.466 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.735 11.986 2.893 1.00 0.00 H new ATOM 0 HE ARG B 16 7.935 11.719 3.686 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.858 13.131 0.450 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.598 13.434 0.412 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.198 12.061 3.594 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.910 12.834 2.174 1.00 0.00 H new ATOM 603 N GLN B 17 7.044 6.248 2.709 1.00 0.00 N ATOM 604 CA GLN B 17 6.918 5.165 3.653 1.00 0.00 C ATOM 605 C GLN B 17 7.844 5.447 4.818 1.00 0.00 C ATOM 606 O GLN B 17 9.046 5.234 4.724 1.00 0.00 O ATOM 607 CB GLN B 17 7.271 3.837 2.980 1.00 0.00 C ATOM 608 CG GLN B 17 6.491 2.646 3.516 1.00 0.00 C ATOM 609 CD GLN B 17 7.056 2.096 4.810 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.310 1.668 5.687 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.375 2.097 4.939 1.00 0.00 N ATOM 0 H GLN B 17 7.981 6.378 2.328 1.00 0.00 H new ATOM 0 HA GLN B 17 5.892 5.089 4.012 1.00 0.00 H new ATOM 0 HB2 GLN B 17 7.090 3.925 1.909 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.337 3.648 3.109 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.454 2.941 3.676 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.485 1.856 2.765 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.961 2.461 4.188 1.00 0.00 H new ATOM 0 HE22 GLN B 17 8.804 1.733 5.790 1.00 0.00 H new ATOM 620 N LYS B 18 7.262 5.912 5.915 1.00 0.00 N ATOM 621 CA LYS B 18 8.008 6.250 7.122 1.00 0.00 C ATOM 622 C LYS B 18 8.825 7.520 6.897 1.00 0.00 C ATOM 623 O LYS B 18 10.049 7.532 7.034 1.00 0.00 O ATOM 624 CB LYS B 18 8.890 5.090 7.603 1.00 0.00 C ATOM 625 CG LYS B 18 8.253 4.261 8.714 1.00 0.00 C ATOM 626 CD LYS B 18 7.326 3.182 8.170 1.00 0.00 C ATOM 627 CE LYS B 18 5.853 3.505 8.406 1.00 0.00 C ATOM 628 NZ LYS B 18 5.306 4.431 7.376 1.00 0.00 N ATOM 0 H LYS B 18 6.257 6.066 5.994 1.00 0.00 H new ATOM 0 HA LYS B 18 7.288 6.438 7.918 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.113 4.439 6.758 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.840 5.489 7.958 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.037 3.796 9.312 1.00 0.00 H new ATOM 0 HG3 LYS B 18 7.692 4.918 9.379 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.502 3.061 7.101 1.00 0.00 H new ATOM 0 HD3 LYS B 18 7.566 2.229 8.642 1.00 0.00 H new ATOM 0 HE2 LYS B 18 5.276 2.580 8.404 1.00 0.00 H new ATOM 0 HE3 LYS B 18 5.735 3.952 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 4.296 4.230 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.420 5.414 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.819 4.297 6.481 1.00 0.00 H new ATOM 642 N LYS B 19 8.107 8.575 6.509 1.00 0.00 N ATOM 643 CA LYS B 19 8.672 9.908 6.273 1.00 0.00 C ATOM 644 C LYS B 19 9.682 9.975 5.115 1.00 0.00 C ATOM 645 O LYS B 19 10.368 10.987 4.966 1.00 0.00 O ATOM 646 CB LYS B 19 9.321 10.446 7.556 1.00 0.00 C ATOM 647 CG LYS B 19 8.390 11.293 8.418 1.00 0.00 C ATOM 648 CD LYS B 19 7.445 10.436 9.248 1.00 0.00 C ATOM 649 CE LYS B 19 6.600 11.288 10.187 1.00 0.00 C ATOM 650 NZ LYS B 19 5.600 10.476 10.931 1.00 0.00 N ATOM 0 H LYS B 19 7.101 8.529 6.347 1.00 0.00 H new ATOM 0 HA LYS B 19 7.829 10.533 5.977 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.682 9.605 8.148 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.192 11.043 7.287 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.983 11.924 9.080 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.809 11.958 7.779 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.793 9.866 8.586 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.021 9.715 9.828 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.251 11.800 10.896 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.086 12.059 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.047 11.095 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 4.962 10.008 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.091 9.757 11.500 1.00 0.00 H new ATOM 664 N GLN B 20 9.754 8.954 4.267 1.00 0.00 N ATOM 665 CA GLN B 20 10.701 8.984 3.150 1.00 0.00 C ATOM 666 C GLN B 20 9.968 8.824 1.824 1.00 0.00 C ATOM 667 O GLN B 20 9.116 7.950 1.679 1.00 0.00 O ATOM 668 CB GLN B 20 11.793 7.920 3.309 1.00 0.00 C ATOM 669 CG GLN B 20 11.270 6.503 3.422 1.00 0.00 C ATOM 670 CD GLN B 20 12.340 5.515 3.837 1.00 0.00 C ATOM 671 OE1 GLN B 20 12.988 4.891 2.998 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.534 5.367 5.139 1.00 0.00 N ATOM 0 H GLN B 20 9.183 8.111 4.326 1.00 0.00 H new ATOM 0 HA GLN B 20 11.194 9.956 3.155 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.468 7.979 2.455 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.381 8.150 4.197 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.457 6.477 4.147 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.852 6.197 2.463 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.975 5.904 5.802 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.242 4.716 5.478 1.00 0.00 H new ATOM 681 N ASP B 21 10.301 9.684 0.871 1.00 0.00 N ATOM 682 CA ASP B 21 9.661 9.686 -0.443 1.00 0.00 C ATOM 683 C ASP B 21 10.063 8.500 -1.302 1.00 0.00 C ATOM 684 O ASP B 21 11.211 8.057 -1.300 1.00 0.00 O ATOM 685 CB ASP B 21 9.960 10.993 -1.192 1.00 0.00 C ATOM 686 CG ASP B 21 11.301 11.599 -0.816 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.353 12.341 0.194 1.00 0.00 O ATOM 688 OD2 ASP B 21 12.292 11.339 -1.516 1.00 0.00 O ATOM 0 H ASP B 21 11.020 10.399 0.984 1.00 0.00 H new ATOM 0 HA ASP B 21 8.590 9.604 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.942 10.803 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP B 21 9.170 11.714 -0.983 1.00 0.00 H new ATOM 693 N GLY B 22 9.078 7.981 -2.017 1.00 0.00 N ATOM 694 CA GLY B 22 9.281 6.872 -2.905 1.00 0.00 C ATOM 695 C GLY B 22 8.074 6.636 -3.778 1.00 0.00 C ATOM 696 O GLY B 22 7.350 7.572 -4.124 1.00 0.00 O ATOM 0 H GLY B 22 8.118 8.325 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.153 7.061 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.493 5.974 -2.325 1.00 0.00 H new ATOM 700 N ALA B 23 7.823 5.382 -4.090 1.00 0.00 N ATOM 701 CA ALA B 23 6.713 5.015 -4.934 1.00 0.00 C ATOM 702 C ALA B 23 6.132 3.684 -4.495 1.00 0.00 C ATOM 703 O ALA B 23 6.867 2.773 -4.106 1.00 0.00 O ATOM 704 CB ALA B 23 7.174 4.955 -6.373 1.00 0.00 C ATOM 0 H ALA B 23 8.382 4.593 -3.765 1.00 0.00 H new ATOM 0 HA ALA B 23 5.928 5.766 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.336 4.678 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.553 5.931 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.966 4.213 -6.471 1.00 0.00 H new ATOM 710 N LEU B 24 4.819 3.570 -4.564 1.00 0.00 N ATOM 711 CA LEU B 24 4.139 2.359 -4.144 1.00 0.00 C ATOM 712 C LEU B 24 3.755 1.546 -5.378 1.00 0.00 C ATOM 713 O LEU B 24 3.056 2.033 -6.263 1.00 0.00 O ATOM 714 CB LEU B 24 2.895 2.735 -3.328 1.00 0.00 C ATOM 715 CG LEU B 24 2.483 1.764 -2.214 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.080 2.089 -1.725 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.565 0.322 -2.668 1.00 0.00 C ATOM 0 H LEU B 24 4.200 4.304 -4.908 1.00 0.00 H new ATOM 0 HA LEU B 24 4.795 1.754 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.065 3.714 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.056 2.840 -4.016 1.00 0.00 H new ATOM 0 HG LEU B 24 3.185 1.888 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.800 1.393 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.057 3.107 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.377 2.000 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.265 -0.334 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.900 0.170 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.589 0.091 -2.962 1.00 0.00 H new ATOM 729 N TYR B 25 4.226 0.315 -5.438 1.00 0.00 N ATOM 730 CA TYR B 25 3.940 -0.557 -6.570 1.00 0.00 C ATOM 731 C TYR B 25 3.108 -1.762 -6.148 1.00 0.00 C ATOM 732 O TYR B 25 3.441 -2.454 -5.185 1.00 0.00 O ATOM 733 CB TYR B 25 5.244 -1.045 -7.211 1.00 0.00 C ATOM 734 CG TYR B 25 5.891 -0.057 -8.156 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.329 1.184 -7.709 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.072 -0.372 -9.496 1.00 0.00 C ATOM 737 CE1 TYR B 25 6.927 2.082 -8.572 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.671 0.520 -10.364 1.00 0.00 C ATOM 739 CZ TYR B 25 7.096 1.745 -9.898 1.00 0.00 C ATOM 740 OH TYR B 25 7.691 2.637 -10.760 1.00 0.00 O ATOM 0 H TYR B 25 4.810 -0.108 -4.716 1.00 0.00 H new ATOM 0 HA TYR B 25 3.369 0.025 -7.294 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.953 -1.288 -6.420 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.043 -1.968 -7.754 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.200 1.451 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.739 -1.330 -9.866 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.260 3.043 -8.210 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.806 0.258 -11.403 1.00 0.00 H new ATOM 0 HH TYR B 25 7.735 2.245 -11.657 1.00 0.00 H new ATOM 750 N LEU B 26 2.018 -2.000 -6.863 1.00 0.00 N ATOM 751 CA LEU B 26 1.155 -3.141 -6.582 1.00 0.00 C ATOM 752 C LEU B 26 1.426 -4.228 -7.602 1.00 0.00 C ATOM 753 O LEU B 26 1.393 -3.961 -8.798 1.00 0.00 O ATOM 754 CB LEU B 26 -0.330 -2.767 -6.661 1.00 0.00 C ATOM 755 CG LEU B 26 -0.771 -1.579 -5.814 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.287 -1.493 -5.769 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.220 -1.681 -4.418 1.00 0.00 C ATOM 0 H LEU B 26 1.709 -1.419 -7.642 1.00 0.00 H new ATOM 0 HA LEU B 26 1.373 -3.482 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.575 -2.555 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.918 -3.636 -6.365 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.379 -0.673 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.585 -0.639 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.675 -1.370 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.691 -2.407 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.549 -0.822 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.581 -2.597 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.869 -1.698 -4.457 1.00 0.00 H new ATOM 769 N MET B 27 1.709 -5.438 -7.152 1.00 0.00 N ATOM 770 CA MET B 27 1.954 -6.534 -8.076 1.00 0.00 C ATOM 771 C MET B 27 0.933 -7.633 -7.885 1.00 0.00 C ATOM 772 O MET B 27 0.212 -7.667 -6.891 1.00 0.00 O ATOM 773 CB MET B 27 3.366 -7.109 -7.943 1.00 0.00 C ATOM 774 CG MET B 27 4.398 -6.449 -8.851 1.00 0.00 C ATOM 775 SD MET B 27 4.674 -4.707 -8.479 1.00 0.00 S ATOM 776 CE MET B 27 5.462 -4.826 -6.878 1.00 0.00 C ATOM 0 H MET B 27 1.775 -5.686 -6.165 1.00 0.00 H new ATOM 0 HA MET B 27 1.860 -6.121 -9.080 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.692 -7.007 -6.908 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.334 -8.176 -8.164 1.00 0.00 H new ATOM 0 HG2 MET B 27 5.343 -6.985 -8.763 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.072 -6.544 -9.887 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.805 -4.406 -6.117 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.661 -5.873 -6.648 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.401 -4.272 -6.892 1.00 0.00 H new ATOM 786 N ALA B 28 0.928 -8.539 -8.839 1.00 0.00 N ATOM 787 CA ALA B 28 -0.003 -9.661 -8.897 1.00 0.00 C ATOM 788 C ALA B 28 -0.200 -10.390 -7.570 1.00 0.00 C ATOM 789 O ALA B 28 -1.333 -10.620 -7.148 1.00 0.00 O ATOM 790 CB ALA B 28 0.476 -10.641 -9.946 1.00 0.00 C ATOM 0 H ALA B 28 1.585 -8.521 -9.619 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.976 -9.241 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.213 -11.484 -9.998 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.516 -10.145 -10.916 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.470 -11.001 -9.681 1.00 0.00 H new ATOM 796 N GLU B 29 0.886 -10.748 -6.906 1.00 0.00 N ATOM 797 CA GLU B 29 0.783 -11.495 -5.661 1.00 0.00 C ATOM 798 C GLU B 29 1.293 -10.724 -4.451 1.00 0.00 C ATOM 799 O GLU B 29 1.268 -11.248 -3.331 1.00 0.00 O ATOM 800 CB GLU B 29 1.548 -12.821 -5.780 1.00 0.00 C ATOM 801 CG GLU B 29 2.671 -12.807 -6.814 1.00 0.00 C ATOM 802 CD GLU B 29 3.797 -11.850 -6.465 1.00 0.00 C ATOM 803 OE1 GLU B 29 3.652 -10.639 -6.715 1.00 0.00 O ATOM 804 OE2 GLU B 29 4.839 -12.311 -5.952 1.00 0.00 O ATOM 0 H GLU B 29 1.839 -10.537 -7.202 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.279 -11.678 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.969 -13.073 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.843 -13.612 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU B 29 3.077 -13.814 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.258 -12.533 -7.785 1.00 0.00 H new ATOM 811 N ARG B 30 1.722 -9.481 -4.633 1.00 0.00 N ATOM 812 CA ARG B 30 2.248 -8.739 -3.491 1.00 0.00 C ATOM 813 C ARG B 30 2.349 -7.242 -3.727 1.00 0.00 C ATOM 814 O ARG B 30 2.264 -6.760 -4.851 1.00 0.00 O ATOM 815 CB ARG B 30 3.627 -9.281 -3.107 1.00 0.00 C ATOM 816 CG ARG B 30 4.735 -8.898 -4.071 1.00 0.00 C ATOM 817 CD ARG B 30 5.998 -9.688 -3.789 1.00 0.00 C ATOM 818 NE ARG B 30 7.153 -9.161 -4.512 1.00 0.00 N ATOM 819 CZ ARG B 30 7.543 -9.605 -5.706 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.848 -10.544 -6.330 1.00 0.00 N ATOM 821 NH2 ARG B 30 8.629 -9.101 -6.285 1.00 0.00 N ATOM 0 H ARG B 30 1.719 -8.980 -5.522 1.00 0.00 H new ATOM 0 HA ARG B 30 1.532 -8.884 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.884 -8.917 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.574 -10.368 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.409 -9.079 -5.095 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.943 -7.831 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.203 -9.671 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.842 -10.730 -4.067 1.00 0.00 H new ATOM 0 HE ARG B 30 7.691 -8.411 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.010 -10.931 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.151 -10.880 -7.244 1.00 0.00 H new ATOM 0 HH21 ARG B 30 9.166 -8.372 -5.815 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.925 -9.443 -7.199 1.00 0.00 H new ATOM 835 N ILE B 31 2.539 -6.528 -2.631 1.00 0.00 N ATOM 836 CA ILE B 31 2.689 -5.086 -2.645 1.00 0.00 C ATOM 837 C ILE B 31 4.146 -4.744 -2.338 1.00 0.00 C ATOM 838 O ILE B 31 4.791 -5.433 -1.542 1.00 0.00 O ATOM 839 CB ILE B 31 1.742 -4.424 -1.610 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.804 -2.901 -1.702 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.076 -4.885 -0.197 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.776 -2.205 -0.835 1.00 0.00 C ATOM 0 H ILE B 31 2.594 -6.938 -1.699 1.00 0.00 H new ATOM 0 HA ILE B 31 2.420 -4.701 -3.629 1.00 0.00 H new ATOM 0 HB ILE B 31 0.725 -4.737 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.800 -2.567 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.657 -2.601 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.399 -4.407 0.511 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.965 -5.967 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.103 -4.610 0.042 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.876 -1.125 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.225 -2.511 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.936 -2.477 0.208 1.00 0.00 H new ATOM 854 N ALA B 32 4.679 -3.716 -2.981 1.00 0.00 N ATOM 855 CA ALA B 32 6.065 -3.335 -2.760 1.00 0.00 C ATOM 856 C ALA B 32 6.251 -1.825 -2.795 1.00 0.00 C ATOM 857 O ALA B 32 5.457 -1.104 -3.396 1.00 0.00 O ATOM 858 CB ALA B 32 6.959 -3.996 -3.799 1.00 0.00 C ATOM 0 H ALA B 32 4.178 -3.136 -3.654 1.00 0.00 H new ATOM 0 HA ALA B 32 6.347 -3.678 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.995 -3.705 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.868 -5.079 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.655 -3.678 -4.796 1.00 0.00 H new ATOM 864 N TRP B 33 7.305 -1.357 -2.145 1.00 0.00 N ATOM 865 CA TRP B 33 7.610 0.064 -2.111 1.00 0.00 C ATOM 866 C TRP B 33 9.104 0.283 -2.345 1.00 0.00 C ATOM 867 O TRP B 33 9.934 -0.528 -1.927 1.00 0.00 O ATOM 868 CB TRP B 33 7.165 0.693 -0.784 1.00 0.00 C ATOM 869 CG TRP B 33 7.326 2.180 -0.759 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.415 3.122 -1.141 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.486 2.897 -0.339 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.946 4.373 -0.994 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.213 4.260 -0.504 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.731 2.515 0.156 1.00 0.00 C ATOM 875 CZ2 TRP B 33 9.136 5.244 -0.195 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.648 3.493 0.464 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.349 4.846 0.285 1.00 0.00 C ATOM 0 H TRP B 33 7.965 -1.942 -1.633 1.00 0.00 H new ATOM 0 HA TRP B 33 7.055 0.556 -2.910 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.120 0.443 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.743 0.257 0.031 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.421 2.910 -1.506 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.471 5.248 -1.215 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.971 1.471 0.295 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.904 6.290 -0.329 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.616 3.210 0.851 1.00 0.00 H new ATOM 0 HH2 TRP B 33 11.092 5.590 0.531 1.00 0.00 H new ATOM 888 N ALA B 34 9.427 1.380 -3.013 1.00 0.00 N ATOM 889 CA ALA B 34 10.802 1.735 -3.340 1.00 0.00 C ATOM 890 C ALA B 34 10.956 3.246 -3.294 1.00 0.00 C ATOM 891 O ALA B 34 10.087 3.956 -3.792 1.00 0.00 O ATOM 892 CB ALA B 34 11.182 1.203 -4.714 1.00 0.00 C ATOM 0 H ALA B 34 8.738 2.055 -3.346 1.00 0.00 H new ATOM 0 HA ALA B 34 11.471 1.282 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.212 1.479 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.087 0.117 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.519 1.631 -5.466 1.00 0.00 H new ATOM 898 N PRO B 35 12.023 3.765 -2.665 1.00 0.00 N ATOM 899 CA PRO B 35 12.247 5.213 -2.567 1.00 0.00 C ATOM 900 C PRO B 35 12.312 5.888 -3.937 1.00 0.00 C ATOM 901 O PRO B 35 12.570 5.236 -4.954 1.00 0.00 O ATOM 902 CB PRO B 35 13.578 5.341 -1.828 1.00 0.00 C ATOM 903 CG PRO B 35 14.221 3.996 -1.931 1.00 0.00 C ATOM 904 CD PRO B 35 13.098 2.999 -2.019 1.00 0.00 C ATOM 0 HA PRO B 35 11.426 5.710 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.204 6.111 -2.278 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.423 5.624 -0.787 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.863 3.938 -2.810 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.850 3.798 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.380 2.125 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.801 2.639 -1.034 1.00 0.00 H new ATOM 992 N PHE B 41 13.282 -2.233 -4.565 1.00 0.00 N ATOM 993 CA PHE B 41 12.184 -2.236 -3.611 1.00 0.00 C ATOM 994 C PHE B 41 12.685 -2.617 -2.224 1.00 0.00 C ATOM 995 O PHE B 41 13.424 -3.589 -2.064 1.00 0.00 O ATOM 996 CB PHE B 41 11.088 -3.209 -4.055 1.00 0.00 C ATOM 997 CG PHE B 41 10.443 -2.833 -5.360 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.465 -1.854 -5.408 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.814 -3.464 -6.537 1.00 0.00 C ATOM 1000 CE1 PHE B 41 8.870 -1.507 -6.606 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.222 -3.120 -7.738 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.249 -2.141 -7.772 1.00 0.00 C ATOM 0 HA PHE B 41 11.765 -1.231 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.515 -4.208 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.322 -3.258 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.164 -1.356 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.573 -4.232 -6.516 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.109 -0.741 -6.630 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.520 -3.617 -8.649 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.785 -1.872 -8.709 1.00 0.00 H new ATOM 1012 N THR B 42 12.294 -1.837 -1.234 1.00 0.00 N ATOM 1013 CA THR B 42 12.687 -2.081 0.142 1.00 0.00 C ATOM 1014 C THR B 42 11.578 -2.816 0.874 1.00 0.00 C ATOM 1015 O THR B 42 11.815 -3.587 1.804 1.00 0.00 O ATOM 1016 CB THR B 42 12.964 -0.751 0.863 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.893 0.168 0.610 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.266 -0.142 0.387 1.00 0.00 C ATOM 0 H THR B 42 11.697 -1.019 -1.359 1.00 0.00 H new ATOM 0 HA THR B 42 13.593 -2.687 0.139 1.00 0.00 H new ATOM 0 HB THR B 42 13.039 -0.950 1.932 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.072 1.014 1.072 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.441 0.798 0.911 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.086 -0.830 0.592 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.210 0.045 -0.685 1.00 0.00 H new ATOM 1026 N ILE B 43 10.366 -2.565 0.422 1.00 0.00 N ATOM 1027 CA ILE B 43 9.177 -3.151 1.004 1.00 0.00 C ATOM 1028 C ILE B 43 8.592 -4.207 0.073 1.00 0.00 C ATOM 1029 O ILE B 43 8.437 -3.963 -1.120 1.00 0.00 O ATOM 1030 CB ILE B 43 8.133 -2.043 1.249 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.578 -1.118 2.388 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.752 -2.624 1.530 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.617 -1.789 3.744 1.00 0.00 C ATOM 0 H ILE B 43 10.178 -1.944 -0.365 1.00 0.00 H new ATOM 0 HA ILE B 43 9.442 -3.627 1.948 1.00 0.00 H new ATOM 0 HB ILE B 43 8.060 -1.453 0.336 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.569 -0.727 2.159 1.00 0.00 H new ATOM 0 HG13 ILE B 43 7.901 -0.265 2.435 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.043 -1.813 1.698 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.427 -3.219 0.677 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.797 -3.256 2.417 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.941 -1.070 4.497 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.622 -2.156 3.997 1.00 0.00 H new ATOM 0 HD13 ILE B 43 9.316 -2.625 3.716 1.00 0.00 H new ATOM 1045 N SER B 44 8.309 -5.382 0.615 1.00 0.00 N ATOM 1046 CA SER B 44 7.722 -6.469 -0.153 1.00 0.00 C ATOM 1047 C SER B 44 6.815 -7.295 0.757 1.00 0.00 C ATOM 1048 O SER B 44 7.297 -7.979 1.659 1.00 0.00 O ATOM 1049 CB SER B 44 8.826 -7.343 -0.759 1.00 0.00 C ATOM 1050 OG SER B 44 8.303 -8.265 -1.704 1.00 0.00 O ATOM 0 H SER B 44 8.479 -5.608 1.595 1.00 0.00 H new ATOM 0 HA SER B 44 7.127 -6.061 -0.970 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.569 -6.709 -1.242 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.338 -7.886 0.035 1.00 0.00 H new ATOM 0 HG SER B 44 9.033 -8.805 -2.072 1.00 0.00 H new ATOM 1056 N HIS B 45 5.507 -7.234 0.531 1.00 0.00 N ATOM 1057 CA HIS B 45 4.566 -7.963 1.363 1.00 0.00 C ATOM 1058 C HIS B 45 3.544 -8.665 0.495 1.00 0.00 C ATOM 1059 O HIS B 45 2.795 -8.023 -0.240 1.00 0.00 O ATOM 1060 CB HIS B 45 3.851 -7.023 2.348 1.00 0.00 C ATOM 1061 CG HIS B 45 4.773 -6.230 3.231 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.716 -6.790 4.065 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.890 -4.886 3.386 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.361 -5.794 4.686 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.900 -4.619 4.306 1.00 0.00 N ATOM 0 H HIS B 45 5.079 -6.689 -0.218 1.00 0.00 H new ATOM 0 HA HIS B 45 5.125 -8.701 1.938 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.226 -6.332 1.783 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.185 -7.614 2.977 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.294 -4.143 2.877 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.155 -5.935 5.404 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.218 -3.703 4.621 1.00 0.00 H new ATOM 1073 N MET B 46 3.536 -9.982 0.556 1.00 0.00 N ATOM 1074 CA MET B 46 2.593 -10.760 -0.220 1.00 0.00 C ATOM 1075 C MET B 46 1.205 -10.624 0.377 1.00 0.00 C ATOM 1076 O MET B 46 1.053 -10.580 1.595 1.00 0.00 O ATOM 1077 CB MET B 46 3.015 -12.230 -0.272 1.00 0.00 C ATOM 1078 CG MET B 46 3.920 -12.561 -1.450 1.00 0.00 C ATOM 1079 SD MET B 46 4.451 -14.284 -1.470 1.00 0.00 S ATOM 1080 CE MET B 46 2.908 -15.114 -1.847 1.00 0.00 C ATOM 0 H MET B 46 4.170 -10.534 1.133 1.00 0.00 H new ATOM 0 HA MET B 46 2.579 -10.379 -1.241 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.530 -12.485 0.654 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.123 -12.854 -0.323 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.394 -12.338 -2.378 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.798 -11.916 -1.418 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.111 -16.145 -2.137 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.265 -15.104 -0.967 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.408 -14.598 -2.667 1.00 0.00 H new ATOM 1090 N TYR B 47 0.203 -10.528 -0.486 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.194 -10.401 -0.052 1.00 0.00 C ATOM 1092 C TYR B 47 -1.615 -11.541 0.882 1.00 0.00 C ATOM 1093 O TYR B 47 -2.630 -11.447 1.567 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.132 -10.361 -1.262 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.823 -9.260 -2.249 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.463 -7.991 -1.816 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.893 -9.491 -3.615 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.181 -6.985 -2.718 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.613 -8.490 -4.521 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.257 -7.238 -4.068 1.00 0.00 C ATOM 1101 OH TYR B 47 -0.972 -6.239 -4.968 1.00 0.00 O ATOM 0 H TYR B 47 0.326 -10.535 -1.498 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.269 -9.465 0.502 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.083 -11.320 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.156 -10.241 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.403 -7.788 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.171 -10.471 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.902 -6.003 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.672 -8.686 -5.581 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.746 -6.635 -5.836 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.828 -12.610 0.911 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.121 -13.757 1.762 1.00 0.00 C ATOM 1113 C ALA B 48 -0.599 -13.541 3.175 1.00 0.00 C ATOM 1114 O ALA B 48 -0.857 -14.344 4.077 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.522 -15.022 1.178 1.00 0.00 C ATOM 0 H ALA B 48 0.020 -12.706 0.353 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.205 -13.866 1.808 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.752 -15.867 1.827 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.942 -15.200 0.188 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.559 -14.909 1.098 1.00 0.00 H new ATOM 1121 N ASP B 49 0.156 -12.471 3.360 1.00 0.00 N ATOM 1122 CA ASP B 49 0.706 -12.154 4.664 1.00 0.00 C ATOM 1123 C ASP B 49 0.161 -10.831 5.161 1.00 0.00 C ATOM 1124 O ASP B 49 0.587 -10.312 6.190 1.00 0.00 O ATOM 1125 CB ASP B 49 2.232 -12.151 4.633 1.00 0.00 C ATOM 1126 CG ASP B 49 2.779 -13.532 4.910 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.974 -14.303 3.946 1.00 0.00 O ATOM 1128 OD2 ASP B 49 2.945 -13.883 6.094 1.00 0.00 O ATOM 0 H ASP B 49 0.401 -11.809 2.624 1.00 0.00 H new ATOM 0 HA ASP B 49 0.398 -12.931 5.363 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.579 -11.806 3.659 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.614 -11.449 5.374 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.798 -10.298 4.423 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.454 -9.062 4.796 1.00 0.00 C ATOM 1135 C ILE B 50 -2.828 -9.400 5.364 1.00 0.00 C ATOM 1136 O ILE B 50 -3.774 -9.707 4.634 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.579 -8.106 3.603 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.191 -7.724 3.085 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.361 -6.864 4.001 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.198 -7.155 1.685 1.00 0.00 C ATOM 0 H ILE B 50 -1.140 -10.709 3.554 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.853 -8.550 5.548 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.120 -8.612 2.803 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.251 -6.993 3.762 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.450 -8.606 3.106 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.442 -6.195 3.144 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.359 -7.153 4.331 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.844 -6.353 4.813 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.821 -6.908 1.387 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.609 -7.892 0.995 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.811 -6.254 1.661 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.907 -9.351 6.677 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.109 -9.707 7.413 1.00 0.00 C ATOM 1154 C LYS B 51 -5.206 -8.642 7.318 1.00 0.00 C ATOM 1155 O LYS B 51 -6.341 -8.962 6.969 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.709 -9.966 8.869 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.853 -10.262 9.821 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.445 -9.947 11.253 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.122 -10.864 12.258 1.00 0.00 C ATOM 1160 NZ LYS B 51 -6.534 -10.478 12.521 1.00 0.00 N ATOM 0 H LYS B 51 -2.132 -9.060 7.273 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.541 -10.604 6.969 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.014 -10.806 8.892 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.168 -9.095 9.239 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.726 -9.670 9.546 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.140 -11.310 9.740 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.363 -10.040 11.350 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.697 -8.911 11.481 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.092 -11.889 11.888 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.564 -10.847 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.950 -11.134 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.564 -9.510 12.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -7.076 -10.520 11.634 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.872 -7.385 7.583 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.882 -6.315 7.557 1.00 0.00 C ATOM 1176 C CYS B 52 -5.395 -5.087 6.792 1.00 0.00 C ATOM 1177 O CYS B 52 -4.214 -4.987 6.466 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.227 -5.887 8.989 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.017 -7.167 10.248 1.00 0.00 S ATOM 0 H CYS B 52 -3.928 -7.077 7.816 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.760 -6.716 7.051 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.605 -5.033 9.255 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.262 -5.546 9.010 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.336 -6.686 11.413 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.306 -4.151 6.495 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.934 -2.925 5.815 1.00 0.00 C ATOM 1187 C GLN B 53 -6.759 -1.768 6.346 1.00 0.00 C ATOM 1188 O GLN B 53 -7.979 -1.866 6.474 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.105 -3.040 4.293 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.545 -3.032 3.799 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.634 -2.800 2.302 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.757 -3.212 1.549 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.689 -2.132 1.861 1.00 0.00 N ATOM 0 H GLN B 53 -7.298 -4.228 6.718 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.878 -2.743 6.014 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.571 -2.215 3.820 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.628 -3.962 3.959 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.018 -3.982 4.047 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.102 -2.253 4.320 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.397 -1.806 2.518 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.793 -1.944 0.864 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.090 -0.688 6.703 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.779 0.485 7.181 1.00 0.00 C ATOM 1204 C LYS B 54 -6.519 1.619 6.223 1.00 0.00 C ATOM 1205 O LYS B 54 -5.583 1.564 5.425 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.296 0.982 8.536 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.738 -0.021 9.517 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.426 0.728 10.803 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.844 -0.010 12.057 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.428 0.913 13.064 1.00 0.00 N ATOM 0 H LYS B 54 -5.074 -0.603 6.670 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.827 0.197 7.264 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.527 1.734 8.358 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.131 1.489 9.020 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.458 -0.819 9.702 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.839 -0.490 9.118 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.355 0.923 10.848 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.926 1.696 10.779 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.573 -0.779 11.802 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.981 -0.519 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.688 0.377 13.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.730 1.642 13.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.276 1.367 12.668 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.316 2.661 6.325 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.117 3.835 5.474 1.00 0.00 C ATOM 1226 C ILE B 55 -7.296 5.137 6.268 1.00 0.00 C ATOM 1227 O ILE B 55 -8.304 5.332 6.949 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.017 3.824 4.209 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.421 4.346 4.489 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.103 2.423 3.622 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.213 4.581 3.228 1.00 0.00 C ATOM 0 H ILE B 55 -8.099 2.729 6.975 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.086 3.787 5.123 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.549 4.495 3.489 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.951 3.632 5.119 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.353 5.278 5.050 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.738 2.438 2.736 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.105 2.082 3.347 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.527 1.744 4.362 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.205 4.952 3.485 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -9.700 5.316 2.608 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.307 3.645 2.678 1.00 0.00 H new ATOM 1243 N SER B 56 -6.259 5.982 6.260 1.00 0.00 N ATOM 1244 CA SER B 56 -6.314 7.262 6.957 1.00 0.00 C ATOM 1245 C SER B 56 -6.994 8.311 6.099 1.00 0.00 C ATOM 1246 O SER B 56 -6.509 8.625 4.999 1.00 0.00 O ATOM 1247 CB SER B 56 -4.922 7.751 7.325 1.00 0.00 C ATOM 1248 OG SER B 56 -4.536 7.287 8.604 1.00 0.00 O ATOM 0 H SER B 56 -5.378 5.800 5.780 1.00 0.00 H new ATOM 0 HA SER B 56 -6.889 7.107 7.870 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.205 7.408 6.579 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.901 8.841 7.309 1.00 0.00 H new ATOM 0 HG SER B 56 -4.525 6.307 8.607 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.080 8.897 6.638 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.901 9.906 5.954 1.00 0.00 C ATOM 1256 C PRO B 57 -8.162 11.201 5.646 1.00 0.00 C ATOM 1257 O PRO B 57 -7.048 11.441 6.124 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.006 10.216 6.966 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.430 9.832 8.281 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.581 8.632 8.000 1.00 0.00 C ATOM 0 HA PRO B 57 -9.237 9.524 4.990 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.277 11.271 6.945 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.912 9.650 6.750 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.838 10.643 8.704 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.214 9.600 9.002 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.767 8.535 8.719 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.158 7.709 8.046 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.811 12.039 4.857 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.274 13.333 4.496 1.00 0.00 C ATOM 1270 C GLU B 58 -8.635 14.345 5.577 1.00 0.00 C ATOM 1271 O GLU B 58 -9.808 14.633 5.818 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.797 13.791 3.123 1.00 0.00 C ATOM 1273 CG GLU B 58 -10.247 13.410 2.836 1.00 0.00 C ATOM 1274 CD GLU B 58 -10.404 11.958 2.426 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -10.138 11.635 1.253 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -10.763 11.133 3.288 1.00 0.00 O ATOM 0 H GLU B 58 -9.725 11.839 4.450 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.189 13.256 4.420 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.699 14.874 3.055 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.162 13.364 2.346 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.850 13.599 3.724 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.636 14.050 2.044 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.617 14.860 6.235 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.813 15.820 7.301 1.00 0.00 C ATOM 1285 C GLY B 59 -6.484 16.236 7.870 1.00 0.00 C ATOM 1286 O GLY B 59 -6.279 17.388 8.246 1.00 0.00 O ATOM 0 H GLY B 59 -6.641 14.628 6.049 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.345 16.693 6.922 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.433 15.384 8.085 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.576 15.272 7.940 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.233 15.526 8.417 1.00 0.00 C ATOM 1292 C LYS B 60 -3.432 16.107 7.262 1.00 0.00 C ATOM 1293 O LYS B 60 -3.923 16.156 6.134 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.575 14.228 8.911 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.391 13.470 9.951 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.810 13.621 11.352 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.004 12.396 11.771 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.718 12.396 13.230 1.00 0.00 N ATOM 0 H LYS B 60 -5.751 14.304 7.670 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.263 16.223 9.255 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.400 13.575 8.056 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.600 14.467 9.335 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.418 13.835 9.943 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.426 12.414 9.685 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.172 14.504 11.387 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.619 13.784 12.064 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.554 11.492 11.508 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.066 12.371 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.691 12.449 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -3.177 13.217 13.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.086 11.522 13.656 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.204 16.524 7.520 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.363 17.078 6.467 1.00 0.00 C ATOM 1314 C ALA B 61 -0.788 15.958 5.605 1.00 0.00 C ATOM 1315 O ALA B 61 0.090 16.181 4.775 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.249 17.921 7.065 1.00 0.00 C ATOM 0 H ALA B 61 -1.768 16.491 8.441 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.975 17.721 5.834 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.370 18.327 6.265 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.681 18.740 7.641 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.365 17.302 7.719 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.295 14.750 5.826 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.857 13.579 5.098 1.00 0.00 C ATOM 1324 C LYS B 62 -1.963 12.523 5.085 1.00 0.00 C ATOM 1325 O LYS B 62 -2.604 12.272 6.109 1.00 0.00 O ATOM 1326 CB LYS B 62 0.421 13.003 5.727 1.00 0.00 C ATOM 1327 CG LYS B 62 0.726 13.518 7.131 1.00 0.00 C ATOM 1328 CD LYS B 62 1.207 12.405 8.051 1.00 0.00 C ATOM 1329 CE LYS B 62 2.468 11.733 7.524 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.377 10.252 7.602 1.00 0.00 N ATOM 0 H LYS B 62 -2.021 14.562 6.517 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.636 13.870 4.071 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.335 11.917 5.763 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.266 13.234 5.078 1.00 0.00 H new ATOM 0 HG2 LYS B 62 1.486 14.297 7.075 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.169 13.976 7.552 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.401 12.813 9.043 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.419 11.660 8.162 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.635 12.033 6.489 1.00 0.00 H new ATOM 0 HE3 LYS B 62 3.329 12.075 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 3.123 9.827 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.499 9.948 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.446 9.943 7.257 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.197 11.938 3.915 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.207 10.892 3.745 1.00 0.00 C ATOM 1346 C ILE B 63 -2.503 9.537 3.782 1.00 0.00 C ATOM 1347 O ILE B 63 -1.409 9.411 3.227 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.960 11.058 2.402 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.502 12.486 2.262 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -5.095 10.052 2.290 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.723 13.343 1.282 1.00 0.00 C ATOM 0 H ILE B 63 -1.695 12.173 3.059 1.00 0.00 H new ATOM 0 HA ILE B 63 -3.941 10.964 4.548 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.254 10.871 1.593 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.543 12.440 1.942 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.490 12.967 3.240 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.609 10.188 1.339 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.692 9.041 2.343 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.799 10.205 3.108 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.166 14.338 1.237 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.687 13.421 1.611 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.756 12.886 0.293 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.097 8.513 4.406 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.384 7.232 4.492 1.00 0.00 C ATOM 1365 C GLN B 64 -3.247 6.002 4.230 1.00 0.00 C ATOM 1366 O GLN B 64 -4.473 6.046 4.269 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.709 7.051 5.861 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.576 8.014 6.158 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.035 9.295 6.813 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.401 10.325 6.655 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.120 9.244 7.570 1.00 0.00 N ATOM 0 H GLN B 64 -4.021 8.538 4.838 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.644 7.295 3.694 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.466 7.157 6.638 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.325 6.033 5.926 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.149 7.522 6.807 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.060 8.254 5.228 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.625 8.364 7.679 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.451 10.084 8.044 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.546 4.907 3.966 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.123 3.592 3.729 1.00 0.00 C ATOM 1382 C LEU B 65 -2.210 2.568 4.404 1.00 0.00 C ATOM 1383 O LEU B 65 -1.055 2.451 4.025 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.173 3.305 2.239 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.219 2.288 1.810 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.521 2.976 1.462 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.691 1.467 0.650 1.00 0.00 C ATOM 0 H LEU B 65 -1.528 4.911 3.909 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.137 3.545 4.127 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.361 4.240 1.711 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.193 2.951 1.920 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.423 1.611 2.639 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.256 2.231 1.158 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.891 3.516 2.333 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.355 3.677 0.644 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.444 0.740 0.346 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.464 2.126 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.785 0.944 0.957 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.692 1.825 5.385 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.816 0.890 6.087 1.00 0.00 C ATOM 1401 C GLN B 66 -2.317 -0.536 6.041 1.00 0.00 C ATOM 1402 O GLN B 66 -3.516 -0.792 5.968 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.601 1.316 7.542 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.727 0.928 8.473 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.230 0.498 9.837 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.880 -0.659 10.035 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.226 1.420 10.788 1.00 0.00 N ATOM 0 H GLN B 66 -3.658 1.845 5.711 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.864 0.920 5.558 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.674 0.872 7.906 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.472 2.398 7.577 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.407 1.772 8.587 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.300 0.116 8.026 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.526 2.372 10.577 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.923 1.178 11.731 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.374 -1.459 6.088 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.680 -2.872 6.059 1.00 0.00 C ATOM 1418 C LEU B 67 -1.205 -3.558 7.331 1.00 0.00 C ATOM 1419 O LEU B 67 -0.059 -3.398 7.746 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.015 -3.522 4.847 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.338 -2.866 3.508 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.399 -3.373 2.427 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.785 -3.124 3.122 1.00 0.00 C ATOM 0 H LEU B 67 -0.378 -1.248 6.147 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.762 -2.986 5.988 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.065 -3.506 4.992 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.315 -4.569 4.804 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.197 -1.790 3.609 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.644 -2.895 1.479 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.630 -3.136 2.698 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.508 -4.453 2.327 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.996 -2.648 2.164 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.954 -4.198 3.039 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.444 -2.711 3.886 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.106 -4.298 7.951 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.796 -5.058 9.152 1.00 0.00 C ATOM 1437 C VAL B 68 -1.389 -6.445 8.703 1.00 0.00 C ATOM 1438 O VAL B 68 -2.211 -7.191 8.182 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.005 -5.157 10.106 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.624 -5.876 11.393 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.568 -3.774 10.403 1.00 0.00 C ATOM 0 H VAL B 68 -3.072 -4.390 7.638 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.000 -4.557 9.703 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.781 -5.742 9.612 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.493 -5.933 12.049 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.279 -6.883 11.159 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.827 -5.327 11.894 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.420 -3.865 11.077 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.798 -3.161 10.871 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.890 -3.305 9.473 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.132 -6.791 8.881 1.00 0.00 N ATOM 1452 CA LEU B 69 0.346 -8.078 8.411 1.00 0.00 C ATOM 1453 C LEU B 69 0.161 -9.184 9.439 1.00 0.00 C ATOM 1454 O LEU B 69 -0.089 -8.927 10.619 1.00 0.00 O ATOM 1455 CB LEU B 69 1.806 -7.987 7.988 1.00 0.00 C ATOM 1456 CG LEU B 69 2.215 -6.669 7.327 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.671 -6.718 6.904 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.331 -6.357 6.131 1.00 0.00 C ATOM 0 H LEU B 69 0.570 -6.211 9.340 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.263 -8.341 7.546 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.432 -8.143 8.867 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.018 -8.802 7.296 1.00 0.00 H new ATOM 0 HG LEU B 69 2.087 -5.873 8.060 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.946 -5.773 6.436 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.299 -6.885 7.779 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.816 -7.531 6.193 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.646 -5.415 5.682 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.419 -7.157 5.395 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.294 -6.275 6.457 1.00 0.00 H new ATOM 1470 N HIS B 70 0.286 -10.423 8.968 1.00 0.00 N ATOM 1471 CA HIS B 70 0.140 -11.608 9.819 1.00 0.00 C ATOM 1472 C HIS B 70 1.272 -11.699 10.839 1.00 0.00 C ATOM 1473 O HIS B 70 1.175 -12.436 11.817 1.00 0.00 O ATOM 1474 CB HIS B 70 0.123 -12.891 8.975 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.092 -13.051 8.111 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.693 -12.169 7.281 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.818 -14.218 8.005 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.776 -12.777 6.664 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.809 -14.004 7.127 1.00 0.00 N flip ATOM 0 H HIS B 70 0.490 -10.636 7.992 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.809 -11.509 10.347 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.009 -12.905 8.340 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.195 -13.750 9.642 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.624 -15.139 8.534 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.453 -12.332 5.950 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.499 -14.704 6.855 1.00 0.00 H new ATOM 1487 N ALA B 71 2.345 -10.953 10.601 1.00 0.00 N ATOM 1488 CA ALA B 71 3.492 -10.958 11.500 1.00 0.00 C ATOM 1489 C ALA B 71 3.214 -10.125 12.747 1.00 0.00 C ATOM 1490 O ALA B 71 3.926 -10.229 13.745 1.00 0.00 O ATOM 1491 CB ALA B 71 4.731 -10.448 10.780 1.00 0.00 C ATOM 0 H ALA B 71 2.444 -10.338 9.794 1.00 0.00 H new ATOM 0 HA ALA B 71 3.672 -11.985 11.817 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.579 -10.458 11.464 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.946 -11.091 9.926 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.557 -9.430 10.433 1.00 0.00 H new ATOM 1497 N GLY B 72 2.170 -9.306 12.686 1.00 0.00 N ATOM 1498 CA GLY B 72 1.814 -8.477 13.820 1.00 0.00 C ATOM 1499 C GLY B 72 2.234 -7.035 13.636 1.00 0.00 C ATOM 1500 O GLY B 72 1.928 -6.181 14.470 1.00 0.00 O ATOM 0 H GLY B 72 1.565 -9.202 11.872 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.736 -8.521 13.975 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.282 -8.877 14.720 1.00 0.00 H new ATOM 1504 N ASP B 73 2.935 -6.761 12.547 1.00 0.00 N ATOM 1505 CA ASP B 73 3.397 -5.414 12.253 1.00 0.00 C ATOM 1506 C ASP B 73 2.421 -4.709 11.319 1.00 0.00 C ATOM 1507 O ASP B 73 1.520 -5.339 10.754 1.00 0.00 O ATOM 1508 CB ASP B 73 4.798 -5.445 11.637 1.00 0.00 C ATOM 1509 CG ASP B 73 4.813 -6.074 10.260 1.00 0.00 C ATOM 1510 OD1 ASP B 73 4.436 -7.262 10.144 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.207 -5.381 9.300 1.00 0.00 O ATOM 0 H ASP B 73 3.197 -7.457 11.849 1.00 0.00 H new ATOM 0 HA ASP B 73 3.446 -4.857 13.189 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.185 -4.428 11.572 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.468 -6.000 12.294 1.00 0.00 H new ATOM 1516 N THR B 74 2.596 -3.405 11.162 1.00 0.00 N ATOM 1517 CA THR B 74 1.716 -2.614 10.320 1.00 0.00 C ATOM 1518 C THR B 74 2.510 -1.675 9.416 1.00 0.00 C ATOM 1519 O THR B 74 3.420 -0.976 9.871 1.00 0.00 O ATOM 1520 CB THR B 74 0.755 -1.777 11.187 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.507 -1.022 12.147 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.246 -2.664 11.913 1.00 0.00 C ATOM 0 H THR B 74 3.342 -2.873 11.609 1.00 0.00 H new ATOM 0 HA THR B 74 1.148 -3.307 9.699 1.00 0.00 H new ATOM 0 HB THR B 74 0.204 -1.103 10.531 1.00 0.00 H new ATOM 0 HG1 THR B 74 0.895 -0.489 12.696 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.910 -2.045 12.516 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.833 -3.222 11.184 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.287 -3.361 12.560 1.00 0.00 H new ATOM 1530 N THR B 75 2.156 -1.656 8.143 1.00 0.00 N ATOM 1531 CA THR B 75 2.820 -0.805 7.170 1.00 0.00 C ATOM 1532 C THR B 75 1.909 0.347 6.737 1.00 0.00 C ATOM 1533 O THR B 75 1.026 0.155 5.904 1.00 0.00 O ATOM 1534 CB THR B 75 3.218 -1.628 5.930 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.095 -3.028 6.217 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.644 -1.315 5.503 1.00 0.00 C ATOM 0 H THR B 75 1.404 -2.227 7.756 1.00 0.00 H new ATOM 0 HA THR B 75 3.712 -0.392 7.640 1.00 0.00 H new ATOM 0 HB THR B 75 2.548 -1.362 5.112 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.347 -3.548 5.425 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.900 -1.909 4.626 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.727 -0.256 5.260 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.329 -1.556 6.316 1.00 0.00 H new ATOM 1544 N ASN B 76 2.107 1.542 7.303 1.00 0.00 N ATOM 1545 CA ASN B 76 1.279 2.690 6.939 1.00 0.00 C ATOM 1546 C ASN B 76 1.938 3.446 5.786 1.00 0.00 C ATOM 1547 O ASN B 76 3.073 3.910 5.903 1.00 0.00 O ATOM 1548 CB ASN B 76 1.020 3.662 8.125 1.00 0.00 C ATOM 1549 CG ASN B 76 1.007 3.017 9.513 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.835 2.165 9.830 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.077 3.452 10.364 1.00 0.00 N ATOM 0 H ASN B 76 2.822 1.736 8.004 1.00 0.00 H new ATOM 0 HA ASN B 76 0.307 2.299 6.638 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.786 4.437 8.111 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.062 4.157 7.964 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.037 3.077 11.312 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.595 4.160 10.067 1.00 0.00 H new ATOM 1558 N PHE B 77 1.221 3.530 4.671 1.00 0.00 N ATOM 1559 CA PHE B 77 1.698 4.204 3.463 1.00 0.00 C ATOM 1560 C PHE B 77 1.177 5.631 3.388 1.00 0.00 C ATOM 1561 O PHE B 77 -0.027 5.859 3.451 1.00 0.00 O ATOM 1562 CB PHE B 77 1.256 3.434 2.219 1.00 0.00 C ATOM 1563 CG PHE B 77 2.172 2.302 1.862 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.433 2.559 1.356 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.774 0.985 2.030 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.283 1.525 1.021 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.622 -0.055 1.697 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.877 0.216 1.191 1.00 0.00 C ATOM 0 H PHE B 77 0.287 3.131 4.576 1.00 0.00 H new ATOM 0 HA PHE B 77 2.787 4.234 3.506 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.252 3.042 2.381 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.197 4.123 1.376 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.756 3.581 1.221 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.792 0.769 2.425 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.265 1.739 0.626 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.303 -1.078 1.833 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.541 -0.594 0.928 1.00 0.00 H new ATOM 1578 N HIS B 78 2.084 6.581 3.243 1.00 0.00 N ATOM 1579 CA HIS B 78 1.735 7.991 3.169 1.00 0.00 C ATOM 1580 C HIS B 78 1.734 8.480 1.719 1.00 0.00 C ATOM 1581 O HIS B 78 2.762 8.477 1.050 1.00 0.00 O ATOM 1582 CB HIS B 78 2.737 8.776 4.034 1.00 0.00 C ATOM 1583 CG HIS B 78 2.752 10.270 3.858 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.774 11.067 4.321 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.873 11.109 3.252 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.495 12.334 3.988 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.354 12.412 3.336 1.00 0.00 N ATOM 0 H HIS B 78 3.085 6.397 3.173 1.00 0.00 H new ATOM 0 HA HIS B 78 0.726 8.150 3.548 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.527 8.558 5.081 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.738 8.398 3.824 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.948 10.812 2.780 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.123 13.180 4.223 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.913 13.255 2.968 1.00 0.00 H new ATOM 1595 N PHE B 79 0.574 8.907 1.239 1.00 0.00 N ATOM 1596 CA PHE B 79 0.456 9.409 -0.125 1.00 0.00 C ATOM 1597 C PHE B 79 0.696 10.915 -0.146 1.00 0.00 C ATOM 1598 O PHE B 79 -0.229 11.697 0.072 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.930 9.111 -0.724 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.226 7.655 -0.962 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.372 6.770 0.095 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.386 7.180 -2.251 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.666 5.438 -0.134 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.686 5.853 -2.485 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.826 4.981 -1.428 1.00 0.00 C ATOM 0 H PHE B 79 -0.296 8.916 1.771 1.00 0.00 H new ATOM 0 HA PHE B 79 1.207 8.899 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.691 9.516 -0.057 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.021 9.643 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.255 7.124 1.108 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.275 7.856 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.770 4.756 0.697 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.811 5.498 -3.497 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.060 3.943 -1.610 1.00 0.00 H new ATOM 1615 N SER B 80 1.932 11.328 -0.395 1.00 0.00 N ATOM 1616 CA SER B 80 2.254 12.748 -0.444 1.00 0.00 C ATOM 1617 C SER B 80 2.095 13.274 -1.866 1.00 0.00 C ATOM 1618 O SER B 80 3.019 13.846 -2.451 1.00 0.00 O ATOM 1619 CB SER B 80 3.668 13.009 0.075 1.00 0.00 C ATOM 1620 OG SER B 80 4.618 12.169 -0.560 1.00 0.00 O ATOM 0 H SER B 80 2.722 10.706 -0.565 1.00 0.00 H new ATOM 0 HA SER B 80 1.559 13.280 0.205 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.932 14.053 -0.095 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.698 12.844 1.152 1.00 0.00 H new ATOM 0 HG SER B 80 4.241 11.822 -1.396 1.00 0.00 H new ATOM 1626 N ASN B 81 0.921 13.045 -2.423 1.00 0.00 N ATOM 1627 CA ASN B 81 0.612 13.488 -3.771 1.00 0.00 C ATOM 1628 C ASN B 81 -0.475 14.554 -3.735 1.00 0.00 C ATOM 1629 O ASN B 81 -1.659 14.252 -3.670 1.00 0.00 O ATOM 1630 CB ASN B 81 0.174 12.306 -4.639 1.00 0.00 C ATOM 1631 CG ASN B 81 0.257 12.615 -6.121 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.130 13.765 -6.539 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.445 11.587 -6.928 1.00 0.00 N ATOM 0 H ASN B 81 0.159 12.551 -1.959 1.00 0.00 H new ATOM 0 HA ASN B 81 1.511 13.919 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.800 11.443 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.850 12.032 -4.385 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.489 11.732 -7.937 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.546 10.648 -6.543 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.058 15.800 -3.812 1.00 0.00 N ATOM 1641 CA GLU B 82 -0.968 16.937 -3.760 1.00 0.00 C ATOM 1642 C GLU B 82 -2.012 16.871 -4.876 1.00 0.00 C ATOM 1643 O GLU B 82 -3.100 17.431 -4.759 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.177 18.250 -3.875 1.00 0.00 C ATOM 1645 CG GLU B 82 1.090 18.303 -3.021 1.00 0.00 C ATOM 1646 CD GLU B 82 2.252 17.526 -3.623 1.00 0.00 C ATOM 1647 OE1 GLU B 82 2.120 17.030 -4.763 1.00 0.00 O ATOM 1648 OE2 GLU B 82 3.288 17.372 -2.954 1.00 0.00 O ATOM 0 H GLU B 82 0.923 16.059 -3.913 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.488 16.902 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.097 18.404 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.827 19.077 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.387 19.343 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.870 17.905 -2.030 1.00 0.00 H new ATOM 1655 N SER B 83 -1.684 16.168 -5.949 1.00 0.00 N ATOM 1656 CA SER B 83 -2.583 16.054 -7.080 1.00 0.00 C ATOM 1657 C SER B 83 -3.568 14.882 -6.955 1.00 0.00 C ATOM 1658 O SER B 83 -4.778 15.059 -7.134 1.00 0.00 O ATOM 1659 CB SER B 83 -1.765 15.919 -8.364 1.00 0.00 C ATOM 1660 OG SER B 83 -0.668 16.815 -8.355 1.00 0.00 O ATOM 0 H SER B 83 -0.801 15.669 -6.058 1.00 0.00 H new ATOM 0 HA SER B 83 -3.187 16.961 -7.105 1.00 0.00 H new ATOM 0 HB2 SER B 83 -1.404 14.895 -8.465 1.00 0.00 H new ATOM 0 HB3 SER B 83 -2.399 16.121 -9.228 1.00 0.00 H new ATOM 0 HG SER B 83 -0.155 16.713 -9.184 1.00 0.00 H new ATOM 1666 N THR B 84 -3.074 13.680 -6.668 1.00 0.00 N ATOM 1667 CA THR B 84 -3.958 12.521 -6.599 1.00 0.00 C ATOM 1668 C THR B 84 -3.739 11.642 -5.357 1.00 0.00 C ATOM 1669 O THR B 84 -3.993 10.450 -5.405 1.00 0.00 O ATOM 1670 CB THR B 84 -3.846 11.676 -7.898 1.00 0.00 C ATOM 1671 OG1 THR B 84 -4.709 10.540 -7.856 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.415 11.239 -8.157 1.00 0.00 C ATOM 0 H THR B 84 -2.090 13.485 -6.483 1.00 0.00 H new ATOM 0 HA THR B 84 -4.969 12.917 -6.506 1.00 0.00 H new ATOM 0 HB THR B 84 -4.161 12.316 -8.722 1.00 0.00 H new ATOM 0 HG1 THR B 84 -4.684 10.143 -6.960 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.375 10.650 -9.073 1.00 0.00 H new ATOM 0 HG22 THR B 84 -1.779 12.118 -8.262 1.00 0.00 H new ATOM 0 HG23 THR B 84 -2.062 10.634 -7.321 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.305 12.213 -4.240 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.087 11.414 -3.024 1.00 0.00 C ATOM 1682 C ALA B 85 -4.340 10.637 -2.638 1.00 0.00 C ATOM 1683 O ALA B 85 -4.300 9.423 -2.454 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.663 12.293 -1.864 1.00 0.00 C ATOM 0 H ALA B 85 -3.098 13.207 -4.143 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.289 10.706 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.509 11.677 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.734 12.805 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.441 13.030 -1.663 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.448 11.354 -2.525 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.727 10.751 -2.164 1.00 0.00 C ATOM 1692 C VAL B 86 -7.166 9.715 -3.201 1.00 0.00 C ATOM 1693 O VAL B 86 -7.535 8.592 -2.858 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.821 11.834 -2.029 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.196 11.210 -1.837 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.496 12.779 -0.882 1.00 0.00 C ATOM 0 H VAL B 86 -5.489 12.361 -2.679 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.591 10.251 -1.205 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.842 12.407 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.944 11.998 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.434 10.582 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.197 10.602 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.277 13.535 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.439 12.215 0.049 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.539 13.265 -1.071 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.084 10.093 -4.470 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.499 9.218 -5.561 1.00 0.00 C ATOM 1708 C LYS B 87 -6.588 7.996 -5.697 1.00 0.00 C ATOM 1709 O LYS B 87 -7.067 6.892 -5.957 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.545 9.993 -6.881 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.586 11.106 -6.902 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.945 12.488 -6.974 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.417 12.793 -8.369 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.986 14.214 -8.504 1.00 0.00 N ATOM 0 H LYS B 87 -6.733 11.002 -4.771 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.499 8.856 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.562 10.423 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.754 9.297 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -9.247 10.968 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.205 11.040 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.677 13.244 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.128 12.548 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.576 12.136 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.191 12.577 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -6.892 14.454 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.695 14.835 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.070 14.345 -8.030 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.283 8.180 -5.502 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.353 7.070 -5.622 1.00 0.00 C ATOM 1730 C GLU B 88 -4.541 6.127 -4.438 1.00 0.00 C ATOM 1731 O GLU B 88 -4.431 4.910 -4.571 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.897 7.555 -5.703 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.498 8.070 -7.084 1.00 0.00 C ATOM 1734 CD GLU B 88 -0.990 8.196 -7.272 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.367 9.033 -6.589 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.425 7.471 -8.125 1.00 0.00 O ATOM 0 H GLU B 88 -4.855 9.075 -5.264 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.565 6.539 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.746 8.349 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.234 6.735 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.896 7.397 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.960 9.044 -7.248 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.857 6.714 -3.283 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.084 5.962 -2.053 1.00 0.00 C ATOM 1745 C ARG B 89 -6.175 4.917 -2.238 1.00 0.00 C ATOM 1746 O ARG B 89 -5.965 3.729 -1.991 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.486 6.914 -0.919 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.136 6.216 0.269 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.047 7.152 1.048 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.361 7.315 0.421 1.00 0.00 N ATOM 1751 CZ ARG B 89 -9.135 8.392 0.578 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.752 9.379 1.376 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.301 8.476 -0.049 1.00 0.00 N ATOM 0 H ARG B 89 -4.962 7.723 -3.176 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.154 5.454 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.600 7.448 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.176 7.661 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -6.711 5.360 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.361 5.829 0.931 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.177 6.767 2.059 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.568 8.127 1.137 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.706 6.560 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.863 9.318 1.873 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.346 10.200 1.493 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.610 7.716 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.888 9.301 0.074 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.331 5.373 -2.691 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.478 4.501 -2.887 1.00 0.00 C ATOM 1769 C ASP B 90 -8.228 3.469 -3.970 1.00 0.00 C ATOM 1770 O ASP B 90 -8.689 2.338 -3.871 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.717 5.327 -3.212 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.321 5.932 -1.963 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -9.926 5.515 -0.853 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.161 6.843 -2.078 1.00 0.00 O ATOM 0 H ASP B 90 -7.501 6.350 -2.932 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.643 3.959 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.454 6.120 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.456 4.697 -3.707 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.467 3.851 -4.984 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.158 2.939 -6.086 1.00 0.00 C ATOM 1781 C ALA B 91 -6.366 1.738 -5.577 1.00 0.00 C ATOM 1782 O ALA B 91 -6.508 0.616 -6.066 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.386 3.665 -7.177 1.00 0.00 C ATOM 0 H ALA B 91 -7.052 4.779 -5.071 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.095 2.579 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.164 2.972 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.986 4.491 -7.559 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.454 4.053 -6.766 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.552 1.990 -4.567 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.728 0.961 -3.951 1.00 0.00 C ATOM 1791 C VAL B 92 -5.576 0.181 -2.964 1.00 0.00 C ATOM 1792 O VAL B 92 -5.569 -1.047 -2.948 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.513 1.564 -3.211 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.663 0.474 -2.582 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.672 2.410 -4.147 1.00 0.00 C ATOM 0 H VAL B 92 -5.442 2.914 -4.149 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.350 0.310 -4.739 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.895 2.205 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.815 0.925 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.263 -0.089 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.300 -0.198 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.823 2.823 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.309 1.792 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.278 3.224 -4.545 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.317 0.933 -2.157 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.217 0.382 -1.154 1.00 0.00 C ATOM 1807 C LYS B 93 -8.129 -0.658 -1.787 1.00 0.00 C ATOM 1808 O LYS B 93 -8.269 -1.780 -1.296 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.057 1.523 -0.582 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.114 1.089 0.409 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.144 2.185 0.629 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.157 2.243 -0.502 1.00 0.00 C ATOM 1813 NZ LYS B 93 -11.901 0.963 -0.648 1.00 0.00 N ATOM 0 H LYS B 93 -6.308 1.953 -2.182 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.641 -0.097 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.393 2.238 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.542 2.048 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.609 0.189 0.046 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.643 0.833 1.358 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.662 2.013 1.572 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -9.639 3.147 0.714 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.862 3.053 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.645 2.474 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.646 0.514 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.654 0.327 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.924 1.152 -0.632 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.732 -0.250 -2.888 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.631 -1.083 -3.662 1.00 0.00 C ATOM 1829 C ASP B 94 -8.942 -2.334 -4.185 1.00 0.00 C ATOM 1830 O ASP B 94 -9.397 -3.449 -3.931 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.194 -0.261 -4.816 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.504 0.416 -4.460 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.648 0.867 -3.300 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.395 0.477 -5.330 1.00 0.00 O ATOM 0 H ASP B 94 -8.608 0.685 -3.275 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.439 -1.417 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.466 0.495 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.346 -0.909 -5.679 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.842 -2.152 -4.903 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.099 -3.279 -5.460 1.00 0.00 C ATOM 1841 C LEU B 95 -6.672 -4.254 -4.367 1.00 0.00 C ATOM 1842 O LEU B 95 -6.774 -5.470 -4.534 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.874 -2.785 -6.234 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.911 -3.038 -7.745 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.109 -2.345 -8.377 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.621 -2.565 -8.394 1.00 0.00 C ATOM 0 H LEU B 95 -7.443 -1.237 -5.114 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.761 -3.807 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.764 -1.714 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.986 -3.266 -5.823 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.010 -4.111 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.116 -2.537 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.027 -2.729 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.043 -1.271 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.664 -2.752 -9.467 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.495 -1.497 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.778 -3.106 -7.965 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.234 -3.717 -3.238 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.778 -4.543 -2.133 1.00 0.00 C ATOM 1860 C LEU B 96 -6.911 -5.343 -1.502 1.00 0.00 C ATOM 1861 O LEU B 96 -6.820 -6.563 -1.394 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.083 -3.696 -1.082 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.765 -3.104 -1.552 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.135 -2.254 -0.464 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.814 -4.200 -1.995 1.00 0.00 C ATOM 0 H LEU B 96 -6.185 -2.713 -3.064 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.065 -5.258 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.748 -2.887 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -4.903 -4.306 -0.197 1.00 0.00 H new ATOM 0 HG LEU B 96 -3.968 -2.461 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.193 -1.841 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.811 -1.440 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -2.948 -2.869 0.416 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.876 -3.755 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.620 -4.873 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.262 -4.760 -2.816 1.00 0.00 H new ATOM 1877 N GLN B 97 -7.985 -4.663 -1.111 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.124 -5.328 -0.474 1.00 0.00 C ATOM 1879 C GLN B 97 -9.759 -6.362 -1.397 1.00 0.00 C ATOM 1880 O GLN B 97 -10.409 -7.298 -0.940 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.181 -4.309 -0.040 1.00 0.00 C ATOM 1882 CG GLN B 97 -10.961 -3.705 -1.196 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.020 -2.720 -0.739 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.327 -1.757 -1.435 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.593 -2.959 0.431 1.00 0.00 N ATOM 0 H GLN B 97 -8.093 -3.655 -1.222 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.741 -5.842 0.407 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.879 -4.792 0.644 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.693 -3.508 0.515 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.269 -3.201 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.436 -4.504 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.311 -3.770 0.981 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.317 -2.332 0.782 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.588 -6.181 -2.696 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.142 -7.113 -3.664 1.00 0.00 C ATOM 1896 C GLN B 98 -9.282 -8.369 -3.777 1.00 0.00 C ATOM 1897 O GLN B 98 -9.792 -9.466 -4.005 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.258 -6.447 -5.031 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.420 -5.473 -5.140 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.467 -4.770 -6.481 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.117 -5.348 -7.511 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.890 -3.515 -6.477 1.00 0.00 N ATOM 0 H GLN B 98 -9.072 -5.401 -3.103 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.133 -7.404 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.330 -5.917 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.370 -7.219 -5.793 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.355 -6.010 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.342 -4.730 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.171 -3.074 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.935 -2.989 -7.350 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.978 -8.197 -3.644 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.031 -9.304 -3.750 1.00 0.00 C ATOM 1913 C LEU B 99 -6.798 -10.023 -2.422 1.00 0.00 C ATOM 1914 O LEU B 99 -6.721 -11.249 -2.382 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.702 -8.785 -4.293 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.759 -8.317 -5.744 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.619 -7.360 -6.043 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.718 -9.506 -6.692 1.00 0.00 C ATOM 0 H LEU B 99 -7.543 -7.293 -3.460 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.467 -10.034 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.366 -7.957 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.954 -9.573 -4.206 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.700 -7.788 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.678 -7.038 -7.083 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.693 -6.491 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.667 -7.863 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.760 -9.152 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.794 -10.063 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.571 -10.156 -6.497 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.707 -9.250 -1.347 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.424 -9.774 -0.007 1.00 0.00 C ATOM 1932 C LEU B 100 -7.196 -11.049 0.376 1.00 0.00 C ATOM 1933 O LEU B 100 -6.565 -12.047 0.716 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.631 -8.687 1.047 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.484 -7.690 1.139 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -5.774 -6.628 2.187 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.183 -8.410 1.445 1.00 0.00 C ATOM 0 H LEU B 100 -6.827 -8.237 -1.375 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.377 -10.077 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.551 -8.148 0.822 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.768 -9.159 2.020 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.383 -7.191 0.175 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.941 -5.927 2.235 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.684 -6.092 1.919 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -5.905 -7.103 3.159 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.372 -7.685 1.508 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -4.273 -8.937 2.395 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.968 -9.126 0.652 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.548 -11.065 0.324 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.337 -12.249 0.714 1.00 0.00 C ATOM 1951 C PRO B 101 -9.010 -13.498 -0.102 1.00 0.00 C ATOM 1952 O PRO B 101 -9.281 -14.620 0.330 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.787 -11.823 0.459 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.755 -10.337 0.457 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.420 -9.962 -0.114 1.00 0.00 C ATOM 0 HA PRO B 101 -9.126 -12.530 1.746 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.151 -12.211 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.452 -12.203 1.234 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.567 -9.928 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.875 -9.941 1.465 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.454 -9.882 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.075 -9.000 0.265 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.426 -13.303 -1.273 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.082 -14.414 -2.147 1.00 0.00 C ATOM 1965 C LYS B 102 -6.706 -14.980 -1.820 1.00 0.00 C ATOM 1966 O LYS B 102 -6.444 -16.159 -2.047 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.104 -13.964 -3.610 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.434 -13.385 -4.060 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.269 -12.548 -5.317 1.00 0.00 C ATOM 1970 CE LYS B 102 -10.597 -11.984 -5.794 1.00 0.00 C ATOM 1971 NZ LYS B 102 -10.444 -10.624 -6.378 1.00 0.00 N ATOM 0 H LYS B 102 -8.180 -12.384 -1.641 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.825 -15.195 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.325 -13.217 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.857 -14.815 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.141 -14.193 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.855 -12.771 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.575 -11.730 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.828 -13.158 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -11.029 -12.653 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -11.296 -11.944 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.382 -10.233 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.962 -10.005 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.880 -10.682 -7.250 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.833 -14.145 -1.269 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.476 -14.577 -0.971 1.00 0.00 C ATOM 1987 C PHE B 103 -4.248 -14.900 0.503 1.00 0.00 C ATOM 1988 O PHE B 103 -3.483 -15.812 0.809 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.470 -13.524 -1.433 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.362 -13.404 -2.928 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -4.201 -12.555 -3.633 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -2.423 -14.144 -3.630 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -4.105 -12.445 -5.007 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -2.323 -14.038 -5.005 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.166 -13.187 -5.693 1.00 0.00 C ATOM 0 H PHE B 103 -6.038 -13.177 -1.023 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.326 -15.506 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.755 -12.556 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.489 -13.768 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.939 -11.972 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.762 -14.811 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.764 -11.779 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -1.587 -14.620 -5.540 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.090 -13.103 -6.767 1.00 0.00 H new