USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 929 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 Single : A 26 THR OG1 : rot 23:sc= 0.211 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -140:sc= -1.17! USER MOD Single : A 33 ASN :FLIP amide:sc= -1.72 F(o=-6.9!,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.17) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 45 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0026) USER MOD Single : A 46 SER OG : rot 180:sc= -1.65! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.163 X(o=0.16,f=0.31) USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot -33:sc= 0.321 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 15:sc= -1.36! USER MOD Single : B 35 SER OG : rot -2:sc= -0.237 USER MOD Single : B 38 LYS NZ :NH3+ -147:sc= 1.76 (180deg=-0.179) USER MOD Single : B 40 THR OG1 : rot 180:sc=-0.00485 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -155:sc= -0.285 (180deg=-1.97!) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot -170:sc= 1.22 USER MOD Single : B 60 MET CE :methyl 167:sc= -1.16 (180deg=-1.68) USER MOD Single : B 63 LYS NZ :NH3+ -162:sc= -0.0487 (180deg=-0.301) USER MOD Single : B 66 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.4!) USER MOD Single : B 68 ASN : amide:sc= -0.538 K(o=-0.54,f=-8.2!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -10.362 -6.660 -11.629 1.00 0.00 N ATOM 2 CA THR A 26 -11.202 -5.473 -11.881 1.00 0.00 C ATOM 3 C THR A 26 -11.717 -4.878 -10.573 1.00 0.00 C ATOM 4 O THR A 26 -11.762 -3.657 -10.411 1.00 0.00 O ATOM 5 CB THR A 26 -12.390 -5.832 -12.790 1.00 0.00 C ATOM 6 OG1 THR A 26 -11.912 -6.542 -13.941 1.00 0.00 O ATOM 7 CG2 THR A 26 -13.133 -4.582 -13.237 1.00 0.00 C ATOM 0 HA THR A 26 -10.582 -4.730 -12.382 1.00 0.00 H new ATOM 0 HB THR A 26 -13.080 -6.458 -12.225 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.049 -6.957 -13.734 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.968 -4.865 -13.878 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.510 -4.051 -12.363 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.454 -3.933 -13.790 1.00 0.00 H new ATOM 15 N GLY A 27 -12.098 -5.736 -9.635 1.00 0.00 N ATOM 16 CA GLY A 27 -12.585 -5.259 -8.359 1.00 0.00 C ATOM 17 C GLY A 27 -13.395 -6.301 -7.618 1.00 0.00 C ATOM 18 O GLY A 27 -14.449 -5.991 -7.065 1.00 0.00 O ATOM 0 H GLY A 27 -12.078 -6.751 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.739 -4.956 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.199 -4.372 -8.517 1.00 0.00 H new ATOM 22 N SER A 28 -12.903 -7.530 -7.590 1.00 0.00 N ATOM 23 CA SER A 28 -13.620 -8.615 -6.938 1.00 0.00 C ATOM 24 C SER A 28 -12.868 -9.131 -5.719 1.00 0.00 C ATOM 25 O SER A 28 -11.748 -8.709 -5.431 1.00 0.00 O ATOM 26 CB SER A 28 -13.852 -9.761 -7.920 1.00 0.00 C ATOM 27 OG SER A 28 -12.660 -10.087 -8.619 1.00 0.00 O ATOM 0 H SER A 28 -12.013 -7.800 -8.009 1.00 0.00 H new ATOM 0 HA SER A 28 -14.579 -8.220 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.212 -10.638 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.629 -9.482 -8.631 1.00 0.00 H new ATOM 0 HG SER A 28 -12.836 -10.825 -9.240 1.00 0.00 H new ATOM 33 N LEU A 29 -13.511 -10.042 -5.009 1.00 0.00 N ATOM 34 CA LEU A 29 -12.926 -10.694 -3.852 1.00 0.00 C ATOM 35 C LEU A 29 -12.099 -11.892 -4.302 1.00 0.00 C ATOM 36 O LEU A 29 -12.643 -12.953 -4.610 1.00 0.00 O ATOM 37 CB LEU A 29 -14.031 -11.155 -2.903 1.00 0.00 C ATOM 38 CG LEU A 29 -14.621 -10.077 -1.979 1.00 0.00 C ATOM 39 CD1 LEU A 29 -15.207 -8.921 -2.774 1.00 0.00 C ATOM 40 CD2 LEU A 29 -15.678 -10.686 -1.070 1.00 0.00 C ATOM 0 H LEU A 29 -14.460 -10.351 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.280 -9.987 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.841 -11.577 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.637 -11.960 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.811 -9.680 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.615 -8.178 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.426 -8.464 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.001 -9.291 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.088 -9.913 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.477 -11.113 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.227 -11.469 -0.461 1.00 0.00 H new ATOM 52 N SER A 30 -10.784 -11.709 -4.346 1.00 0.00 N ATOM 53 CA SER A 30 -9.880 -12.737 -4.842 1.00 0.00 C ATOM 54 C SER A 30 -9.910 -13.986 -3.959 1.00 0.00 C ATOM 55 O SER A 30 -10.293 -15.062 -4.411 1.00 0.00 O ATOM 56 CB SER A 30 -8.458 -12.190 -4.905 1.00 0.00 C ATOM 57 OG SER A 30 -8.454 -10.814 -5.236 1.00 0.00 O ATOM 0 H SER A 30 -10.320 -10.853 -4.042 1.00 0.00 H new ATOM 0 HA SER A 30 -10.213 -13.020 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.966 -12.337 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.884 -12.747 -5.646 1.00 0.00 H new ATOM 0 HG SER A 30 -7.717 -10.629 -5.855 1.00 0.00 H new ATOM 63 N VAL A 31 -9.504 -13.832 -2.701 1.00 0.00 N ATOM 64 CA VAL A 31 -9.436 -14.961 -1.777 1.00 0.00 C ATOM 65 C VAL A 31 -9.252 -14.475 -0.339 1.00 0.00 C ATOM 66 O VAL A 31 -9.833 -15.040 0.585 1.00 0.00 O ATOM 67 CB VAL A 31 -8.289 -15.931 -2.161 1.00 0.00 C ATOM 68 CG1 VAL A 31 -6.942 -15.222 -2.155 1.00 0.00 C ATOM 69 CG2 VAL A 31 -8.266 -17.138 -1.232 1.00 0.00 C ATOM 0 H VAL A 31 -9.218 -12.939 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.380 -15.501 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.478 -16.283 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.158 -15.928 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.959 -14.403 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.743 -14.827 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.453 -17.804 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.114 -16.804 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.214 -17.671 -1.304 1.00 0.00 H new ATOM 79 N ASP A 32 -8.450 -13.425 -0.158 1.00 0.00 N ATOM 80 CA ASP A 32 -8.225 -12.833 1.162 1.00 0.00 C ATOM 81 C ASP A 32 -7.529 -13.820 2.095 1.00 0.00 C ATOM 82 O ASP A 32 -8.149 -14.414 2.979 1.00 0.00 O ATOM 83 CB ASP A 32 -9.543 -12.352 1.775 1.00 0.00 C ATOM 84 CG ASP A 32 -9.353 -11.639 3.098 1.00 0.00 C ATOM 85 OD1 ASP A 32 -8.766 -10.544 3.101 1.00 0.00 O ATOM 86 OD2 ASP A 32 -9.813 -12.161 4.136 1.00 0.00 O1- ATOM 0 H ASP A 32 -7.943 -12.965 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.571 -11.970 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.040 -11.681 1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.203 -13.207 1.920 1.00 0.00 H new ATOM 91 N ASN A 33 -6.241 -14.017 1.864 1.00 0.00 N ATOM 92 CA ASN A 33 -5.422 -14.855 2.735 1.00 0.00 C ATOM 93 C ASN A 33 -4.692 -13.999 3.767 1.00 0.00 C ATOM 94 O ASN A 33 -4.397 -14.444 4.874 1.00 0.00 O ATOM 95 CB ASN A 33 -4.436 -15.705 1.917 1.00 0.00 C ATOM 96 CG ASN A 33 -3.866 -15.004 0.690 1.00 0.00 C ATOM 97 OD1 ASN A 33 -3.504 -13.741 0.823 1.00 0.00 O flip ATOM 98 ND2 ASN A 33 -3.711 -15.613 -0.367 1.00 0.00 N flip ATOM 0 H ASN A 33 -5.736 -13.608 1.078 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.080 -15.541 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.612 -16.006 2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.940 -16.617 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.000 -16.588 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.293 -15.143 -1.170 1.00 0.00 H new ATOM 105 N LYS A 34 -4.399 -12.769 3.380 1.00 0.00 N ATOM 106 CA LYS A 34 -3.860 -11.768 4.294 1.00 0.00 C ATOM 107 C LYS A 34 -4.954 -10.761 4.619 1.00 0.00 C ATOM 108 O LYS A 34 -6.095 -10.938 4.201 1.00 0.00 O ATOM 109 CB LYS A 34 -2.654 -11.051 3.670 1.00 0.00 C ATOM 110 CG LYS A 34 -1.339 -11.823 3.742 1.00 0.00 C ATOM 111 CD LYS A 34 -1.410 -13.151 3.013 1.00 0.00 C ATOM 112 CE LYS A 34 -0.042 -13.797 2.869 1.00 0.00 C ATOM 113 NZ LYS A 34 0.588 -14.102 4.182 1.00 0.00 N1+ ATOM 0 H LYS A 34 -4.527 -12.433 2.425 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.523 -12.260 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.877 -10.839 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.523 -10.091 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.541 -11.218 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.080 -11.998 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.074 -13.826 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.845 -12.999 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.138 -14.718 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.611 -13.134 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.470 -14.632 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.799 -13.214 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.064 -14.674 4.755 1.00 0.00 H new ATOM 127 N LYS A 35 -4.619 -9.713 5.357 1.00 0.00 N ATOM 128 CA LYS A 35 -5.594 -8.682 5.686 1.00 0.00 C ATOM 129 C LYS A 35 -5.073 -7.307 5.296 1.00 0.00 C ATOM 130 O LYS A 35 -3.910 -6.984 5.532 1.00 0.00 O ATOM 131 CB LYS A 35 -5.955 -8.716 7.175 1.00 0.00 C ATOM 132 CG LYS A 35 -6.839 -9.895 7.554 1.00 0.00 C ATOM 133 CD LYS A 35 -7.296 -9.826 9.004 1.00 0.00 C ATOM 134 CE LYS A 35 -6.150 -10.066 9.974 1.00 0.00 C ATOM 135 NZ LYS A 35 -6.606 -10.054 11.388 1.00 0.00 N1+ ATOM 0 H LYS A 35 -3.686 -9.554 5.738 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.500 -8.885 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.038 -8.755 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.464 -7.789 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.711 -9.918 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.293 -10.824 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.737 -8.849 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.076 -10.568 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.682 -11.025 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.388 -9.299 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.794 -10.221 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.030 -9.130 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.314 -10.802 11.531 1.00 0.00 H new ATOM 149 N PHE A 36 -5.932 -6.513 4.674 1.00 0.00 N ATOM 150 CA PHE A 36 -5.556 -5.179 4.225 1.00 0.00 C ATOM 151 C PHE A 36 -6.671 -4.197 4.551 1.00 0.00 C ATOM 152 O PHE A 36 -7.766 -4.297 4.002 1.00 0.00 O ATOM 153 CB PHE A 36 -5.299 -5.169 2.713 1.00 0.00 C ATOM 154 CG PHE A 36 -4.454 -6.314 2.229 1.00 0.00 C ATOM 155 CD1 PHE A 36 -3.071 -6.239 2.262 1.00 0.00 C ATOM 156 CD2 PHE A 36 -5.047 -7.470 1.742 1.00 0.00 C ATOM 157 CE1 PHE A 36 -2.297 -7.295 1.818 1.00 0.00 C ATOM 158 CE2 PHE A 36 -4.276 -8.527 1.297 1.00 0.00 C ATOM 159 CZ PHE A 36 -2.900 -8.440 1.335 1.00 0.00 C ATOM 0 H PHE A 36 -6.897 -6.770 4.468 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.641 -4.886 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.256 -5.192 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.812 -4.232 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.593 -5.347 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.124 -7.545 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.220 -7.225 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.751 -9.421 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.296 -9.265 0.988 1.00 0.00 H new ATOM 169 N TRP A 37 -6.403 -3.262 5.445 1.00 0.00 N ATOM 170 CA TRP A 37 -7.405 -2.281 5.836 1.00 0.00 C ATOM 171 C TRP A 37 -7.184 -0.960 5.119 1.00 0.00 C ATOM 172 O TRP A 37 -6.194 -0.277 5.363 1.00 0.00 O ATOM 173 CB TRP A 37 -7.373 -2.050 7.346 1.00 0.00 C ATOM 174 CG TRP A 37 -7.820 -3.233 8.145 1.00 0.00 C ATOM 175 CD1 TRP A 37 -7.055 -4.286 8.550 1.00 0.00 C ATOM 176 CD2 TRP A 37 -9.139 -3.477 8.643 1.00 0.00 C ATOM 177 NE1 TRP A 37 -7.817 -5.170 9.273 1.00 0.00 N ATOM 178 CE2 TRP A 37 -9.101 -4.697 9.343 1.00 0.00 C ATOM 179 CE3 TRP A 37 -10.349 -2.783 8.567 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -10.225 -5.234 9.961 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -11.464 -3.318 9.181 1.00 0.00 C ATOM 182 CH2 TRP A 37 -11.396 -4.533 9.871 1.00 0.00 C ATOM 0 H TRP A 37 -5.503 -3.160 5.914 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.380 -2.677 5.553 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.358 -1.785 7.643 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -8.009 -1.198 7.588 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.004 -4.407 8.334 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.482 -6.038 9.690 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -10.411 -1.844 8.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.175 -6.172 10.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -12.404 -2.790 9.128 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -12.285 -4.925 10.342 1.00 0.00 H new ATOM 193 N ALA A 38 -8.098 -0.605 4.232 1.00 0.00 N ATOM 194 CA ALA A 38 -8.030 0.678 3.553 1.00 0.00 C ATOM 195 C ALA A 38 -8.781 1.725 4.349 1.00 0.00 C ATOM 196 O ALA A 38 -9.963 1.558 4.658 1.00 0.00 O ATOM 197 CB ALA A 38 -8.595 0.587 2.145 1.00 0.00 C ATOM 0 H ALA A 38 -8.894 -1.185 3.966 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.982 0.966 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.530 1.563 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.023 -0.141 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.638 0.274 2.191 1.00 0.00 H new ATOM 203 N THR A 39 -8.088 2.785 4.698 1.00 0.00 N ATOM 204 CA THR A 39 -8.692 3.890 5.401 1.00 0.00 C ATOM 205 C THR A 39 -9.380 4.805 4.396 1.00 0.00 C ATOM 206 O THR A 39 -8.724 5.415 3.558 1.00 0.00 O ATOM 207 CB THR A 39 -7.627 4.681 6.179 1.00 0.00 C ATOM 208 OG1 THR A 39 -6.702 3.772 6.794 1.00 0.00 O ATOM 209 CG2 THR A 39 -8.267 5.556 7.244 1.00 0.00 C ATOM 0 H THR A 39 -7.094 2.904 4.503 1.00 0.00 H new ATOM 0 HA THR A 39 -9.423 3.504 6.111 1.00 0.00 H new ATOM 0 HB THR A 39 -7.098 5.325 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.024 4.279 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.491 6.104 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.951 6.262 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.819 4.930 7.946 1.00 0.00 H new ATOM 217 N VAL A 40 -10.697 4.863 4.456 1.00 0.00 N ATOM 218 CA VAL A 40 -11.469 5.697 3.550 1.00 0.00 C ATOM 219 C VAL A 40 -12.227 6.764 4.321 1.00 0.00 C ATOM 220 O VAL A 40 -12.838 6.487 5.355 1.00 0.00 O ATOM 221 CB VAL A 40 -12.455 4.864 2.700 1.00 0.00 C ATOM 222 CG1 VAL A 40 -11.788 4.355 1.438 1.00 0.00 C ATOM 223 CG2 VAL A 40 -12.985 3.690 3.494 1.00 0.00 C ATOM 0 H VAL A 40 -11.259 4.339 5.127 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.762 6.176 2.872 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.284 5.516 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.503 3.772 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.442 5.200 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.938 3.726 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.677 3.117 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.155 3.052 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.505 4.055 4.380 1.00 0.00 H new ATOM 233 N GLU A 41 -12.178 7.987 3.824 1.00 0.00 N ATOM 234 CA GLU A 41 -12.793 9.105 4.512 1.00 0.00 C ATOM 235 C GLU A 41 -13.974 9.635 3.716 1.00 0.00 C ATOM 236 O GLU A 41 -13.835 9.985 2.544 1.00 0.00 O ATOM 237 CB GLU A 41 -11.774 10.223 4.726 1.00 0.00 C ATOM 238 CG GLU A 41 -12.213 11.238 5.763 1.00 0.00 C ATOM 239 CD GLU A 41 -11.385 12.505 5.739 1.00 0.00 C ATOM 240 OE1 GLU A 41 -10.256 12.497 6.273 1.00 0.00 O ATOM 241 OE2 GLU A 41 -11.872 13.526 5.207 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.718 8.230 2.946 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.148 8.756 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.824 9.786 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.599 10.733 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.260 11.491 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.149 10.788 6.754 1.00 0.00 H new ATOM 248 N SER A 42 -15.135 9.686 4.345 1.00 0.00 N ATOM 249 CA SER A 42 -16.313 10.232 3.703 1.00 0.00 C ATOM 250 C SER A 42 -16.619 11.620 4.251 1.00 0.00 C ATOM 251 O SER A 42 -15.849 12.159 5.050 1.00 0.00 O ATOM 252 CB SER A 42 -17.511 9.300 3.903 1.00 0.00 C ATOM 253 OG SER A 42 -17.728 9.024 5.280 1.00 0.00 O ATOM 0 H SER A 42 -15.285 9.356 5.298 1.00 0.00 H new ATOM 0 HA SER A 42 -16.118 10.317 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 42 -18.404 9.756 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.342 8.367 3.365 1.00 0.00 H new ATOM 0 HG SER A 42 -18.500 8.428 5.376 1.00 0.00 H new ATOM 259 N SER A 43 -17.734 12.195 3.830 1.00 0.00 N ATOM 260 CA SER A 43 -18.182 13.467 4.370 1.00 0.00 C ATOM 261 C SER A 43 -18.614 13.299 5.827 1.00 0.00 C ATOM 262 O SER A 43 -18.681 14.264 6.589 1.00 0.00 O ATOM 263 CB SER A 43 -19.335 14.002 3.519 1.00 0.00 C ATOM 264 OG SER A 43 -20.291 12.981 3.267 1.00 0.00 O ATOM 0 H SER A 43 -18.345 11.800 3.115 1.00 0.00 H new ATOM 0 HA SER A 43 -17.361 14.184 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.814 14.837 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.949 14.386 2.575 1.00 0.00 H new ATOM 0 HG SER A 43 -21.021 13.344 2.723 1.00 0.00 H new ATOM 270 N GLU A 44 -18.884 12.055 6.203 1.00 0.00 N ATOM 271 CA GLU A 44 -19.341 11.732 7.544 1.00 0.00 C ATOM 272 C GLU A 44 -18.164 11.533 8.496 1.00 0.00 C ATOM 273 O GLU A 44 -18.017 12.263 9.476 1.00 0.00 O ATOM 274 CB GLU A 44 -20.209 10.476 7.499 1.00 0.00 C ATOM 275 CG GLU A 44 -21.492 10.668 6.709 1.00 0.00 C ATOM 276 CD GLU A 44 -22.200 9.367 6.405 1.00 0.00 C ATOM 277 OE1 GLU A 44 -22.419 8.566 7.338 1.00 0.00 O1- ATOM 278 OE2 GLU A 44 -22.535 9.136 5.227 1.00 0.00 O ATOM 0 H GLU A 44 -18.792 11.246 5.588 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.932 12.567 7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.636 9.661 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.457 10.176 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -22.164 11.318 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.263 11.178 5.773 1.00 0.00 H new ATOM 285 N HIS A 45 -17.320 10.551 8.202 1.00 0.00 N ATOM 286 CA HIS A 45 -16.187 10.232 9.069 1.00 0.00 C ATOM 287 C HIS A 45 -15.172 9.370 8.328 1.00 0.00 C ATOM 288 O HIS A 45 -15.416 8.942 7.199 1.00 0.00 O ATOM 289 CB HIS A 45 -16.663 9.511 10.345 1.00 0.00 C ATOM 290 CG HIS A 45 -17.376 8.211 10.102 1.00 0.00 C ATOM 291 ND1 HIS A 45 -18.734 8.054 10.276 1.00 0.00 N ATOM 292 CD2 HIS A 45 -16.909 6.999 9.711 1.00 0.00 C ATOM 293 CE1 HIS A 45 -19.072 6.806 10.003 1.00 0.00 C ATOM 294 NE2 HIS A 45 -17.983 6.148 9.657 1.00 0.00 N ATOM 0 H HIS A 45 -17.396 9.962 7.373 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.708 11.167 9.357 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -15.800 9.323 10.983 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -17.327 10.177 10.896 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -15.883 6.751 9.484 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -20.070 6.395 10.054 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.945 5.164 9.392 1.00 0.00 H new ATOM 303 N SER A 46 -14.040 9.117 8.966 1.00 0.00 N ATOM 304 CA SER A 46 -13.025 8.246 8.400 1.00 0.00 C ATOM 305 C SER A 46 -13.211 6.831 8.939 1.00 0.00 C ATOM 306 O SER A 46 -13.296 6.632 10.152 1.00 0.00 O ATOM 307 CB SER A 46 -11.628 8.757 8.752 1.00 0.00 C ATOM 308 OG SER A 46 -11.565 10.173 8.706 1.00 0.00 O ATOM 0 H SER A 46 -13.802 9.504 9.879 1.00 0.00 H new ATOM 0 HA SER A 46 -13.129 8.239 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.354 8.412 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.900 8.337 8.058 1.00 0.00 H new ATOM 0 HG SER A 46 -10.660 10.468 8.938 1.00 0.00 H new ATOM 314 N PHE A 47 -13.288 5.857 8.050 1.00 0.00 N ATOM 315 CA PHE A 47 -13.501 4.477 8.459 1.00 0.00 C ATOM 316 C PHE A 47 -12.566 3.544 7.705 1.00 0.00 C ATOM 317 O PHE A 47 -12.045 3.894 6.648 1.00 0.00 O ATOM 318 CB PHE A 47 -14.967 4.066 8.252 1.00 0.00 C ATOM 319 CG PHE A 47 -15.493 4.274 6.856 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.916 5.527 6.439 1.00 0.00 C ATOM 321 CD2 PHE A 47 -15.572 3.215 5.965 1.00 0.00 C ATOM 322 CE1 PHE A 47 -16.406 5.718 5.163 1.00 0.00 C ATOM 323 CE2 PHE A 47 -16.064 3.402 4.688 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.481 4.655 4.287 1.00 0.00 C ATOM 0 H PHE A 47 -13.207 5.994 7.042 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.276 4.398 9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.074 3.013 8.512 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.589 4.630 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.861 6.363 7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.245 2.233 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.731 6.699 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -16.122 2.568 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.866 4.803 3.289 1.00 0.00 H new ATOM 334 N GLU A 48 -12.347 2.365 8.261 1.00 0.00 N ATOM 335 CA GLU A 48 -11.440 1.399 7.667 1.00 0.00 C ATOM 336 C GLU A 48 -12.205 0.192 7.139 1.00 0.00 C ATOM 337 O GLU A 48 -13.115 -0.320 7.794 1.00 0.00 O ATOM 338 CB GLU A 48 -10.383 0.978 8.692 1.00 0.00 C ATOM 339 CG GLU A 48 -10.960 0.561 10.037 1.00 0.00 C ATOM 340 CD GLU A 48 -9.888 0.319 11.077 1.00 0.00 C ATOM 341 OE1 GLU A 48 -9.227 1.292 11.491 1.00 0.00 O1- ATOM 342 OE2 GLU A 48 -9.683 -0.845 11.479 1.00 0.00 O ATOM 0 H GLU A 48 -12.787 2.053 9.127 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.935 1.864 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.804 0.150 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.690 1.805 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.639 1.336 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.550 -0.347 9.910 1.00 0.00 H new ATOM 349 N VAL A 49 -11.844 -0.241 5.941 1.00 0.00 N ATOM 350 CA VAL A 49 -12.519 -1.353 5.291 1.00 0.00 C ATOM 351 C VAL A 49 -11.497 -2.351 4.726 1.00 0.00 C ATOM 352 O VAL A 49 -10.529 -1.955 4.073 1.00 0.00 O ATOM 353 CB VAL A 49 -13.456 -0.839 4.168 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.684 -0.025 3.140 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.196 -1.988 3.501 1.00 0.00 C ATOM 0 H VAL A 49 -11.082 0.164 5.397 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.125 -1.869 6.036 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.196 -0.185 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.366 0.323 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.222 0.833 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.910 -0.647 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.845 -1.597 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.476 -2.679 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.798 -2.513 4.243 1.00 0.00 H new ATOM 365 N PRO A 50 -11.676 -3.656 5.003 1.00 0.00 N ATOM 366 CA PRO A 50 -10.768 -4.700 4.514 1.00 0.00 C ATOM 367 C PRO A 50 -10.899 -4.950 3.013 1.00 0.00 C ATOM 368 O PRO A 50 -11.995 -4.890 2.453 1.00 0.00 O ATOM 369 CB PRO A 50 -11.194 -5.959 5.284 1.00 0.00 C ATOM 370 CG PRO A 50 -12.150 -5.498 6.333 1.00 0.00 C ATOM 371 CD PRO A 50 -12.755 -4.223 5.823 1.00 0.00 C ATOM 0 HA PRO A 50 -9.728 -4.412 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.665 -6.682 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.332 -6.452 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.920 -6.248 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.637 -5.333 7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.654 -4.409 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.038 -3.556 6.637 1.00 0.00 H new ATOM 379 N ILE A 51 -9.771 -5.230 2.374 1.00 0.00 N ATOM 380 CA ILE A 51 -9.754 -5.631 0.974 1.00 0.00 C ATOM 381 C ILE A 51 -9.464 -7.115 0.868 1.00 0.00 C ATOM 382 O ILE A 51 -8.575 -7.626 1.548 1.00 0.00 O ATOM 383 CB ILE A 51 -8.705 -4.840 0.154 1.00 0.00 C ATOM 384 CG1 ILE A 51 -9.238 -3.466 -0.191 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.304 -5.563 -1.115 1.00 0.00 C ATOM 386 CD1 ILE A 51 -8.865 -2.420 0.809 1.00 0.00 C ATOM 0 H ILE A 51 -8.849 -5.186 2.808 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.737 -5.410 0.559 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.816 -4.747 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.861 -3.173 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.324 -3.514 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.567 -4.969 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.873 -6.532 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.183 -5.710 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.278 -1.459 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.265 -2.692 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.779 -2.345 0.870 1.00 0.00 H new ATOM 398 N TYR A 52 -10.216 -7.801 0.026 1.00 0.00 N ATOM 399 CA TYR A 52 -10.046 -9.232 -0.134 1.00 0.00 C ATOM 400 C TYR A 52 -9.256 -9.511 -1.401 1.00 0.00 C ATOM 401 O TYR A 52 -9.769 -9.350 -2.507 1.00 0.00 O ATOM 402 CB TYR A 52 -11.417 -9.915 -0.205 1.00 0.00 C ATOM 403 CG TYR A 52 -12.262 -9.732 1.043 1.00 0.00 C ATOM 404 CD1 TYR A 52 -12.826 -8.500 1.354 1.00 0.00 C ATOM 405 CD2 TYR A 52 -12.495 -10.793 1.908 1.00 0.00 C ATOM 406 CE1 TYR A 52 -13.592 -8.331 2.490 1.00 0.00 C ATOM 407 CE2 TYR A 52 -13.262 -10.632 3.045 1.00 0.00 C ATOM 408 CZ TYR A 52 -13.807 -9.400 3.332 1.00 0.00 C ATOM 409 OH TYR A 52 -14.571 -9.237 4.466 1.00 0.00 O ATOM 0 H TYR A 52 -10.947 -7.391 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.500 -9.630 0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.963 -9.522 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.272 -10.981 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -12.662 -7.660 0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.069 -11.761 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -14.020 -7.366 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.434 -11.468 3.706 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.625 -10.088 4.949 1.00 0.00 H new ATOM 419 N ALA A 53 -8.021 -9.967 -1.241 1.00 0.00 N ATOM 420 CA ALA A 53 -7.139 -10.164 -2.380 1.00 0.00 C ATOM 421 C ALA A 53 -6.153 -11.289 -2.139 1.00 0.00 C ATOM 422 O ALA A 53 -6.163 -11.926 -1.085 1.00 0.00 O ATOM 423 CB ALA A 53 -6.382 -8.889 -2.703 1.00 0.00 C ATOM 0 H ALA A 53 -7.610 -10.206 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.769 -10.435 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.729 -9.061 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.090 -8.096 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.782 -8.594 -1.842 1.00 0.00 H new ATOM 429 N GLU A 54 -5.306 -11.530 -3.125 1.00 0.00 N ATOM 430 CA GLU A 54 -4.292 -12.562 -3.026 1.00 0.00 C ATOM 431 C GLU A 54 -3.026 -12.003 -2.390 1.00 0.00 C ATOM 432 O GLU A 54 -2.605 -12.449 -1.326 1.00 0.00 O ATOM 433 CB GLU A 54 -3.985 -13.130 -4.410 1.00 0.00 C ATOM 434 CG GLU A 54 -5.222 -13.646 -5.122 1.00 0.00 C ATOM 435 CD GLU A 54 -4.924 -14.177 -6.505 1.00 0.00 C ATOM 436 OE1 GLU A 54 -4.554 -15.362 -6.622 1.00 0.00 O1- ATOM 437 OE2 GLU A 54 -5.061 -13.412 -7.481 1.00 0.00 O ATOM 0 H GLU A 54 -5.302 -11.020 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.670 -13.365 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.517 -12.357 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.263 -13.940 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.676 -14.437 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.954 -12.842 -5.197 1.00 0.00 H new ATOM 444 N THR A 55 -2.444 -10.999 -3.023 1.00 0.00 N ATOM 445 CA THR A 55 -1.189 -10.436 -2.551 1.00 0.00 C ATOM 446 C THR A 55 -1.318 -8.921 -2.409 1.00 0.00 C ATOM 447 O THR A 55 -2.339 -8.354 -2.807 1.00 0.00 O ATOM 448 CB THR A 55 -0.037 -10.794 -3.515 1.00 0.00 C ATOM 449 OG1 THR A 55 -0.305 -12.063 -4.128 1.00 0.00 O ATOM 450 CG2 THR A 55 1.299 -10.870 -2.786 1.00 0.00 C ATOM 0 H THR A 55 -2.818 -10.557 -3.863 1.00 0.00 H new ATOM 0 HA THR A 55 -0.959 -10.862 -1.574 1.00 0.00 H new ATOM 0 HB THR A 55 0.026 -10.009 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.425 -12.291 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.087 -11.124 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.520 -9.905 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.248 -11.635 -2.011 1.00 0.00 H new ATOM 458 N LEU A 56 -0.308 -8.274 -1.835 1.00 0.00 N ATOM 459 CA LEU A 56 -0.359 -6.837 -1.573 1.00 0.00 C ATOM 460 C LEU A 56 -0.661 -6.046 -2.840 1.00 0.00 C ATOM 461 O LEU A 56 -1.501 -5.154 -2.821 1.00 0.00 O ATOM 462 CB LEU A 56 0.952 -6.340 -0.957 1.00 0.00 C ATOM 463 CG LEU A 56 1.153 -6.650 0.529 1.00 0.00 C ATOM 464 CD1 LEU A 56 1.257 -8.148 0.775 1.00 0.00 C ATOM 465 CD2 LEU A 56 2.389 -5.938 1.044 1.00 0.00 C ATOM 0 H LEU A 56 0.559 -8.723 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.169 -6.674 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.781 -6.776 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.009 -5.260 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 56 0.281 -6.288 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.399 -8.333 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.341 -8.636 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.105 -8.550 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.525 -6.164 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.262 -6.275 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.269 -4.862 0.915 1.00 0.00 H new ATOM 477 N ASP A 57 0.018 -6.384 -3.931 1.00 0.00 N ATOM 478 CA ASP A 57 -0.188 -5.711 -5.214 1.00 0.00 C ATOM 479 C ASP A 57 -1.657 -5.744 -5.623 1.00 0.00 C ATOM 480 O ASP A 57 -2.247 -4.709 -5.936 1.00 0.00 O ATOM 481 CB ASP A 57 0.670 -6.366 -6.297 1.00 0.00 C ATOM 482 CG ASP A 57 0.502 -5.714 -7.656 1.00 0.00 C ATOM 483 OD1 ASP A 57 1.234 -4.742 -7.950 1.00 0.00 O1- ATOM 484 OD2 ASP A 57 -0.354 -6.175 -8.439 1.00 0.00 O ATOM 0 H ASP A 57 0.720 -7.124 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 57 0.111 -4.669 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.718 -6.316 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.409 -7.422 -6.371 1.00 0.00 H new ATOM 489 N GLU A 58 -2.246 -6.937 -5.592 1.00 0.00 N ATOM 490 CA GLU A 58 -3.653 -7.117 -5.939 1.00 0.00 C ATOM 491 C GLU A 58 -4.542 -6.301 -5.002 1.00 0.00 C ATOM 492 O GLU A 58 -5.460 -5.609 -5.439 1.00 0.00 O ATOM 493 CB GLU A 58 -4.027 -8.600 -5.855 1.00 0.00 C ATOM 494 CG GLU A 58 -5.434 -8.916 -6.338 1.00 0.00 C ATOM 495 CD GLU A 58 -5.604 -8.685 -7.825 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.237 -9.583 -8.616 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -6.100 -7.608 -8.212 1.00 0.00 O ATOM 0 H GLU A 58 -1.767 -7.798 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.808 -6.767 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.314 -9.177 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.927 -8.930 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.669 -9.955 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.148 -8.298 -5.794 1.00 0.00 H new ATOM 504 N ALA A 59 -4.246 -6.373 -3.709 1.00 0.00 N ATOM 505 CA ALA A 59 -5.002 -5.639 -2.702 1.00 0.00 C ATOM 506 C ALA A 59 -4.893 -4.141 -2.931 1.00 0.00 C ATOM 507 O ALA A 59 -5.865 -3.403 -2.788 1.00 0.00 O ATOM 508 CB ALA A 59 -4.504 -5.992 -1.312 1.00 0.00 C ATOM 0 H ALA A 59 -3.483 -6.936 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.051 -5.924 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.077 -5.437 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.628 -7.061 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.449 -5.731 -1.226 1.00 0.00 H new ATOM 514 N LEU A 60 -3.697 -3.711 -3.292 1.00 0.00 N ATOM 515 CA LEU A 60 -3.416 -2.315 -3.572 1.00 0.00 C ATOM 516 C LEU A 60 -4.196 -1.855 -4.800 1.00 0.00 C ATOM 517 O LEU A 60 -4.701 -0.733 -4.846 1.00 0.00 O ATOM 518 CB LEU A 60 -1.906 -2.136 -3.769 1.00 0.00 C ATOM 519 CG LEU A 60 -1.426 -0.730 -4.126 1.00 0.00 C ATOM 520 CD1 LEU A 60 -2.011 0.303 -3.179 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.094 -0.682 -4.095 1.00 0.00 C ATOM 0 H LEU A 60 -2.889 -4.324 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.734 -1.698 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.404 -2.445 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.582 -2.817 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.770 -0.491 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.653 1.295 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.099 0.279 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.702 0.078 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.432 0.322 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.446 -0.940 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.495 -1.394 -4.816 1.00 0.00 H new ATOM 533 N GLU A 61 -4.294 -2.729 -5.796 1.00 0.00 N ATOM 534 CA GLU A 61 -5.105 -2.457 -6.973 1.00 0.00 C ATOM 535 C GLU A 61 -6.557 -2.238 -6.578 1.00 0.00 C ATOM 536 O GLU A 61 -7.158 -1.227 -6.936 1.00 0.00 O ATOM 537 CB GLU A 61 -5.006 -3.610 -7.972 1.00 0.00 C ATOM 538 CG GLU A 61 -3.632 -3.751 -8.604 1.00 0.00 C ATOM 539 CD GLU A 61 -3.241 -2.539 -9.423 1.00 0.00 C ATOM 540 OE1 GLU A 61 -4.116 -1.690 -9.703 1.00 0.00 O1- ATOM 541 OE2 GLU A 61 -2.052 -2.423 -9.789 1.00 0.00 O ATOM 0 H GLU A 61 -3.821 -3.632 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.727 -1.550 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.261 -4.541 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.745 -3.462 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.891 -3.910 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.618 -4.635 -9.241 1.00 0.00 H new ATOM 548 N LEU A 62 -7.100 -3.173 -5.810 1.00 0.00 N ATOM 549 CA LEU A 62 -8.500 -3.123 -5.408 1.00 0.00 C ATOM 550 C LEU A 62 -8.774 -1.938 -4.488 1.00 0.00 C ATOM 551 O LEU A 62 -9.784 -1.260 -4.641 1.00 0.00 O ATOM 552 CB LEU A 62 -8.903 -4.418 -4.700 1.00 0.00 C ATOM 553 CG LEU A 62 -8.624 -5.703 -5.479 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.016 -6.918 -4.657 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.372 -5.697 -6.799 1.00 0.00 C ATOM 0 H LEU A 62 -6.589 -3.980 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.094 -3.004 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.378 -4.470 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.969 -4.373 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.555 -5.754 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.811 -7.824 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.440 -6.933 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.079 -6.870 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.162 -6.619 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.443 -5.623 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.049 -4.844 -7.396 1.00 0.00 H new ATOM 567 N ALA A 63 -7.872 -1.693 -3.540 1.00 0.00 N ATOM 568 CA ALA A 63 -8.030 -0.590 -2.592 1.00 0.00 C ATOM 569 C ALA A 63 -8.348 0.711 -3.318 1.00 0.00 C ATOM 570 O ALA A 63 -9.206 1.479 -2.894 1.00 0.00 O ATOM 571 CB ALA A 63 -6.776 -0.432 -1.744 1.00 0.00 C ATOM 0 H ALA A 63 -7.023 -2.243 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.867 -0.826 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.911 0.393 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.594 -1.352 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.924 -0.223 -2.390 1.00 0.00 H new ATOM 577 N GLU A 64 -7.653 0.944 -4.416 1.00 0.00 N ATOM 578 CA GLU A 64 -7.931 2.089 -5.259 1.00 0.00 C ATOM 579 C GLU A 64 -9.113 1.807 -6.185 1.00 0.00 C ATOM 580 O GLU A 64 -10.192 2.381 -6.037 1.00 0.00 O ATOM 581 CB GLU A 64 -6.692 2.439 -6.094 1.00 0.00 C ATOM 582 CG GLU A 64 -6.926 3.548 -7.110 1.00 0.00 C ATOM 583 CD GLU A 64 -5.849 3.617 -8.181 1.00 0.00 C ATOM 584 OE1 GLU A 64 -4.885 2.818 -8.127 1.00 0.00 O1- ATOM 585 OE2 GLU A 64 -5.975 4.461 -9.092 1.00 0.00 O ATOM 0 H GLU A 64 -6.890 0.353 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.186 2.932 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.887 2.738 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.355 1.545 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.894 3.396 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.973 4.505 -6.590 1.00 0.00 H new ATOM 592 N TRP A 65 -8.910 0.867 -7.095 1.00 0.00 N ATOM 593 CA TRP A 65 -9.779 0.691 -8.252 1.00 0.00 C ATOM 594 C TRP A 65 -11.169 0.165 -7.895 1.00 0.00 C ATOM 595 O TRP A 65 -12.123 0.376 -8.641 1.00 0.00 O ATOM 596 CB TRP A 65 -9.108 -0.251 -9.244 1.00 0.00 C ATOM 597 CG TRP A 65 -8.993 0.334 -10.615 1.00 0.00 C ATOM 598 CD1 TRP A 65 -8.023 1.183 -11.070 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.890 0.120 -11.709 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.263 1.504 -12.384 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.403 0.863 -12.799 1.00 0.00 C ATOM 602 CE3 TRP A 65 -11.056 -0.633 -11.873 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -10.042 0.877 -14.034 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.690 -0.618 -13.099 1.00 0.00 C ATOM 605 CH2 TRP A 65 -11.182 0.131 -14.167 1.00 0.00 C ATOM 0 H TRP A 65 -8.137 0.203 -7.054 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.928 1.677 -8.693 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.113 -0.507 -8.879 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.676 -1.180 -9.297 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.192 1.547 -10.484 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.687 2.119 -12.958 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -11.454 -1.216 -11.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.653 1.456 -14.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -12.593 -1.194 -13.237 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.700 0.120 -15.115 1.00 0.00 H new ATOM 616 N GLN A 66 -11.292 -0.535 -6.780 1.00 0.00 N ATOM 617 CA GLN A 66 -12.588 -1.051 -6.358 1.00 0.00 C ATOM 618 C GLN A 66 -13.367 0.025 -5.605 1.00 0.00 C ATOM 619 O GLN A 66 -14.597 0.081 -5.663 1.00 0.00 O ATOM 620 CB GLN A 66 -12.414 -2.304 -5.480 1.00 0.00 C ATOM 621 CG GLN A 66 -13.716 -2.855 -4.919 1.00 0.00 C ATOM 622 CD GLN A 66 -13.499 -4.017 -3.970 1.00 0.00 C ATOM 623 OE1 GLN A 66 -13.320 -3.827 -2.767 1.00 0.00 O ATOM 624 NE2 GLN A 66 -13.533 -5.230 -4.493 1.00 0.00 N ATOM 0 H GLN A 66 -10.519 -0.759 -6.154 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.153 -1.332 -7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.926 -3.082 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.747 -2.065 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.247 -2.059 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.354 -3.178 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.684 -5.349 -5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.409 -6.047 -3.895 1.00 0.00 H new ATOM 633 N TYR A 67 -12.639 0.900 -4.926 1.00 0.00 N ATOM 634 CA TYR A 67 -13.247 1.843 -3.997 1.00 0.00 C ATOM 635 C TYR A 67 -13.512 3.216 -4.607 1.00 0.00 C ATOM 636 O TYR A 67 -14.590 3.783 -4.410 1.00 0.00 O ATOM 637 CB TYR A 67 -12.376 1.965 -2.749 1.00 0.00 C ATOM 638 CG TYR A 67 -12.488 0.751 -1.864 1.00 0.00 C ATOM 639 CD1 TYR A 67 -13.522 0.633 -0.945 1.00 0.00 C ATOM 640 CD2 TYR A 67 -11.582 -0.292 -1.966 1.00 0.00 C ATOM 641 CE1 TYR A 67 -13.646 -0.490 -0.154 1.00 0.00 C ATOM 642 CE2 TYR A 67 -11.697 -1.412 -1.179 1.00 0.00 C ATOM 643 CZ TYR A 67 -12.730 -1.511 -0.276 1.00 0.00 C ATOM 644 OH TYR A 67 -12.847 -2.634 0.509 1.00 0.00 O ATOM 0 H TYR A 67 -11.625 0.977 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.226 1.443 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.336 2.104 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.669 2.852 -2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.241 1.433 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.771 -0.223 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.456 -0.568 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.978 -2.213 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.486 -3.408 0.029 1.00 0.00 H new ATOM 654 N VAL A 68 -12.553 3.749 -5.353 1.00 0.00 N ATOM 655 CA VAL A 68 -12.662 5.123 -5.836 1.00 0.00 C ATOM 656 C VAL A 68 -13.850 5.357 -6.794 1.00 0.00 C ATOM 657 O VAL A 68 -14.484 6.407 -6.704 1.00 0.00 O ATOM 658 CB VAL A 68 -11.342 5.658 -6.450 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.251 5.677 -5.390 1.00 0.00 C ATOM 660 CG2 VAL A 68 -10.894 4.856 -7.666 1.00 0.00 C ATOM 0 H VAL A 68 -11.703 3.261 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.867 5.705 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.531 6.673 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.326 6.054 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.554 6.325 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.090 4.666 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.966 5.274 -8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.732 3.818 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.664 4.902 -8.436 1.00 0.00 H new ATOM 670 N PRO A 69 -14.216 4.413 -7.702 1.00 0.00 N ATOM 671 CA PRO A 69 -15.369 4.604 -8.586 1.00 0.00 C ATOM 672 C PRO A 69 -16.686 4.317 -7.870 1.00 0.00 C ATOM 673 O PRO A 69 -17.766 4.572 -8.404 1.00 0.00 O ATOM 674 CB PRO A 69 -15.146 3.589 -9.721 1.00 0.00 C ATOM 675 CG PRO A 69 -13.819 2.957 -9.449 1.00 0.00 C ATOM 676 CD PRO A 69 -13.577 3.119 -7.978 1.00 0.00 C ATOM 0 HA PRO A 69 -15.441 5.633 -8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -15.939 2.841 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -15.152 4.082 -10.693 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.824 1.904 -9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.032 3.438 -10.029 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.026 2.311 -7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.514 3.130 -7.739 1.00 0.00 H new ATOM 684 N ALA A 70 -16.588 3.785 -6.656 1.00 0.00 N ATOM 685 CA ALA A 70 -17.765 3.427 -5.880 1.00 0.00 C ATOM 686 C ALA A 70 -18.150 4.546 -4.917 1.00 0.00 C ATOM 687 O ALA A 70 -19.191 4.485 -4.264 1.00 0.00 O ATOM 688 CB ALA A 70 -17.523 2.129 -5.124 1.00 0.00 C ATOM 0 H ALA A 70 -15.702 3.593 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 70 -18.596 3.280 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -18.412 1.873 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -17.307 1.330 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.676 2.253 -4.449 1.00 0.00 H new ATOM 694 N GLY A 71 -17.306 5.565 -4.829 1.00 0.00 N ATOM 695 CA GLY A 71 -17.613 6.706 -3.989 1.00 0.00 C ATOM 696 C GLY A 71 -16.820 6.720 -2.696 1.00 0.00 C ATOM 697 O GLY A 71 -17.125 7.487 -1.782 1.00 0.00 O ATOM 0 H GLY A 71 -16.416 5.622 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.411 7.623 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.678 6.703 -3.756 1.00 0.00 H new ATOM 701 N PHE A 72 -15.806 5.874 -2.611 1.00 0.00 N ATOM 702 CA PHE A 72 -14.959 5.824 -1.429 1.00 0.00 C ATOM 703 C PHE A 72 -13.661 6.579 -1.671 1.00 0.00 C ATOM 704 O PHE A 72 -12.908 6.255 -2.591 1.00 0.00 O ATOM 705 CB PHE A 72 -14.643 4.378 -1.051 1.00 0.00 C ATOM 706 CG PHE A 72 -15.840 3.565 -0.653 1.00 0.00 C ATOM 707 CD1 PHE A 72 -16.321 3.606 0.645 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.475 2.752 -1.574 1.00 0.00 C ATOM 709 CE1 PHE A 72 -17.420 2.851 1.014 1.00 0.00 C ATOM 710 CE2 PHE A 72 -17.570 1.996 -1.212 1.00 0.00 C ATOM 711 CZ PHE A 72 -18.045 2.045 0.084 1.00 0.00 C ATOM 0 H PHE A 72 -15.549 5.213 -3.345 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.501 6.295 -0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.154 3.893 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.929 4.378 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -15.833 4.234 1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -16.109 2.709 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -17.788 2.892 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.056 1.366 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 72 -18.903 1.454 0.369 1.00 0.00 H new ATOM 721 N GLU A 73 -13.404 7.591 -0.859 1.00 0.00 N ATOM 722 CA GLU A 73 -12.168 8.347 -0.968 1.00 0.00 C ATOM 723 C GLU A 73 -11.118 7.769 -0.030 1.00 0.00 C ATOM 724 O GLU A 73 -11.125 8.037 1.174 1.00 0.00 O ATOM 725 CB GLU A 73 -12.400 9.826 -0.659 1.00 0.00 C ATOM 726 CG GLU A 73 -11.172 10.693 -0.888 1.00 0.00 C ATOM 727 CD GLU A 73 -11.430 12.154 -0.595 1.00 0.00 C ATOM 728 OE1 GLU A 73 -11.938 12.864 -1.487 1.00 0.00 O ATOM 729 OE2 GLU A 73 -11.128 12.602 0.532 1.00 0.00 O1- ATOM 0 H GLU A 73 -14.032 7.907 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.809 8.270 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.216 10.195 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.718 9.927 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.358 10.338 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.844 10.586 -1.922 1.00 0.00 H new ATOM 736 N VAL A 74 -10.241 6.950 -0.587 1.00 0.00 N ATOM 737 CA VAL A 74 -9.151 6.358 0.170 1.00 0.00 C ATOM 738 C VAL A 74 -8.192 7.438 0.673 1.00 0.00 C ATOM 739 O VAL A 74 -7.935 8.427 -0.021 1.00 0.00 O ATOM 740 CB VAL A 74 -8.364 5.341 -0.688 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.225 4.129 -1.008 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.863 5.987 -1.976 1.00 0.00 C ATOM 0 H VAL A 74 -10.264 6.678 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.591 5.839 1.021 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.500 5.012 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.653 3.425 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.531 3.645 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.109 4.447 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.313 5.251 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.712 6.350 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.206 6.822 -1.733 1.00 0.00 H new ATOM 752 N THR A 75 -7.686 7.258 1.880 1.00 0.00 N ATOM 753 CA THR A 75 -6.709 8.171 2.448 1.00 0.00 C ATOM 754 C THR A 75 -5.419 7.430 2.786 1.00 0.00 C ATOM 755 O THR A 75 -4.338 7.801 2.330 1.00 0.00 O ATOM 756 CB THR A 75 -7.255 8.870 3.712 1.00 0.00 C ATOM 757 OG1 THR A 75 -7.759 7.895 4.634 1.00 0.00 O ATOM 758 CG2 THR A 75 -8.359 9.854 3.357 1.00 0.00 C ATOM 0 H THR A 75 -7.938 6.481 2.491 1.00 0.00 H new ATOM 0 HA THR A 75 -6.501 8.935 1.699 1.00 0.00 H new ATOM 0 HB THR A 75 -6.436 9.420 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.143 7.143 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.726 10.332 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.966 10.613 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.177 9.323 2.871 1.00 0.00 H new ATOM 766 N ARG A 76 -5.544 6.365 3.565 1.00 0.00 N ATOM 767 CA ARG A 76 -4.393 5.571 3.978 1.00 0.00 C ATOM 768 C ARG A 76 -4.731 4.084 3.909 1.00 0.00 C ATOM 769 O ARG A 76 -5.835 3.717 3.512 1.00 0.00 O ATOM 770 CB ARG A 76 -3.963 5.958 5.399 1.00 0.00 C ATOM 771 CG ARG A 76 -3.463 7.390 5.517 1.00 0.00 C ATOM 772 CD ARG A 76 -3.053 7.730 6.939 1.00 0.00 C ATOM 773 NE ARG A 76 -4.193 7.718 7.857 1.00 0.00 N ATOM 774 CZ ARG A 76 -4.101 7.426 9.153 1.00 0.00 C ATOM 775 NH1 ARG A 76 -2.924 7.130 9.690 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -5.187 7.439 9.915 1.00 0.00 N ATOM 0 H ARG A 76 -6.436 6.028 3.926 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.564 5.772 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.807 5.820 6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.176 5.279 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.613 7.534 4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.245 8.076 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.305 7.015 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.585 8.714 6.956 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.113 7.947 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.085 7.126 9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.858 6.907 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.093 7.673 9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.116 7.215 10.908 1.00 0.00 H new ATOM 790 N VAL A 77 -3.779 3.232 4.271 1.00 0.00 N ATOM 791 CA VAL A 77 -4.002 1.790 4.264 1.00 0.00 C ATOM 792 C VAL A 77 -3.069 1.100 5.257 1.00 0.00 C ATOM 793 O VAL A 77 -1.963 1.577 5.516 1.00 0.00 O ATOM 794 CB VAL A 77 -3.787 1.191 2.851 1.00 0.00 C ATOM 795 CG1 VAL A 77 -2.326 1.289 2.437 1.00 0.00 C ATOM 796 CG2 VAL A 77 -4.270 -0.254 2.775 1.00 0.00 C ATOM 0 H VAL A 77 -2.846 3.514 4.573 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.037 1.618 4.559 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.384 1.778 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.200 0.862 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.021 2.335 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.709 0.740 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.103 -0.641 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.718 -0.860 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.334 -0.295 3.008 1.00 0.00 H new ATOM 806 N ARG A 78 -3.527 -0.002 5.826 1.00 0.00 N ATOM 807 CA ARG A 78 -2.695 -0.821 6.691 1.00 0.00 C ATOM 808 C ARG A 78 -2.598 -2.230 6.119 1.00 0.00 C ATOM 809 O ARG A 78 -3.468 -3.066 6.368 1.00 0.00 O ATOM 810 CB ARG A 78 -3.266 -0.880 8.110 1.00 0.00 C ATOM 811 CG ARG A 78 -3.562 0.481 8.717 1.00 0.00 C ATOM 812 CD ARG A 78 -3.963 0.364 10.178 1.00 0.00 C ATOM 813 NE ARG A 78 -4.996 -0.653 10.390 1.00 0.00 N ATOM 814 CZ ARG A 78 -6.267 -0.379 10.676 1.00 0.00 C ATOM 815 NH1 ARG A 78 -6.693 0.876 10.708 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 -7.117 -1.371 10.915 1.00 0.00 N ATOM 0 H ARG A 78 -4.477 -0.352 5.703 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.703 -0.372 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.184 -1.467 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.560 -1.407 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.682 1.118 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.362 0.964 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.085 0.117 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.328 1.329 10.531 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.724 -1.633 10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.045 1.640 10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.668 1.078 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.795 -2.338 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.092 -1.166 11.135 1.00 0.00 H new ATOM 830 N PRO A 79 -1.566 -2.504 5.308 1.00 0.00 N ATOM 831 CA PRO A 79 -1.349 -3.826 4.736 1.00 0.00 C ATOM 832 C PRO A 79 -0.721 -4.775 5.748 1.00 0.00 C ATOM 833 O PRO A 79 0.308 -4.464 6.356 1.00 0.00 O ATOM 834 CB PRO A 79 -0.378 -3.572 3.568 1.00 0.00 C ATOM 835 CG PRO A 79 -0.167 -2.090 3.517 1.00 0.00 C ATOM 836 CD PRO A 79 -0.533 -1.561 4.874 1.00 0.00 C ATOM 0 HA PRO A 79 -2.282 -4.295 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.566 -4.095 3.725 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.793 -3.939 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.869 -1.854 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.787 -1.636 2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.321 -1.553 5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.910 -0.539 4.824 1.00 0.00 H new ATOM 844 N CYS A 80 -1.340 -5.928 5.926 1.00 0.00 N ATOM 845 CA CYS A 80 -0.834 -6.929 6.845 1.00 0.00 C ATOM 846 C CYS A 80 -0.443 -8.188 6.084 1.00 0.00 C ATOM 847 O CYS A 80 -1.270 -9.076 5.865 1.00 0.00 O ATOM 848 CB CYS A 80 -1.891 -7.255 7.901 1.00 0.00 C ATOM 849 SG CYS A 80 -2.460 -5.820 8.845 1.00 0.00 S ATOM 0 H CYS A 80 -2.198 -6.194 5.443 1.00 0.00 H new ATOM 0 HA CYS A 80 0.050 -6.534 7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.748 -7.717 7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.483 -7.993 8.592 1.00 0.00 H new ATOM 0 HG CYS A 80 -3.354 -6.197 9.711 1.00 0.00 H new ATOM 855 N VAL A 81 0.816 -8.251 5.663 1.00 0.00 N ATOM 856 CA VAL A 81 1.321 -9.415 4.947 1.00 0.00 C ATOM 857 C VAL A 81 1.432 -10.605 5.898 1.00 0.00 C ATOM 858 O VAL A 81 1.303 -11.762 5.492 1.00 0.00 O ATOM 859 CB VAL A 81 2.688 -9.125 4.272 1.00 0.00 C ATOM 860 CG1 VAL A 81 3.754 -8.771 5.297 1.00 0.00 C ATOM 861 CG2 VAL A 81 3.132 -10.306 3.424 1.00 0.00 C ATOM 0 H VAL A 81 1.503 -7.511 5.805 1.00 0.00 H new ATOM 0 HA VAL A 81 0.613 -9.656 4.154 1.00 0.00 H new ATOM 0 HB VAL A 81 2.555 -8.261 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.697 -8.574 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.447 -7.882 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.882 -9.602 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.092 -10.080 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.232 -11.190 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.390 -10.496 2.648 1.00 0.00 H new ATOM 871 N ALA A 82 1.645 -10.303 7.169 1.00 0.00 N ATOM 872 CA ALA A 82 1.655 -11.311 8.213 1.00 0.00 C ATOM 873 C ALA A 82 0.673 -10.921 9.312 1.00 0.00 C ATOM 874 O ALA A 82 1.051 -10.279 10.293 1.00 0.00 O ATOM 875 CB ALA A 82 3.055 -11.477 8.779 1.00 0.00 C ATOM 0 H ALA A 82 1.815 -9.355 7.504 1.00 0.00 H new ATOM 0 HA ALA A 82 1.348 -12.267 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.044 -12.237 9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.735 -11.784 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.392 -10.529 9.199 1.00 0.00 H new ATOM 881 N PRO A 83 -0.610 -11.279 9.145 1.00 0.00 N ATOM 882 CA PRO A 83 -1.669 -10.914 10.089 1.00 0.00 C ATOM 883 C PRO A 83 -1.490 -11.584 11.448 1.00 0.00 C ATOM 884 O PRO A 83 -1.484 -12.814 11.549 1.00 0.00 O ATOM 885 CB PRO A 83 -2.955 -11.412 9.414 1.00 0.00 C ATOM 886 CG PRO A 83 -2.580 -11.692 7.998 1.00 0.00 C ATOM 887 CD PRO A 83 -1.132 -12.078 8.029 1.00 0.00 C ATOM 0 HA PRO A 83 -1.672 -9.843 10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.333 -12.309 9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.743 -10.661 9.470 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.190 -12.494 7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.738 -10.815 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.001 -13.147 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.629 -11.841 7.091 1.00 0.00 H new ATOM 895 N LYS A 84 -1.333 -10.767 12.481 1.00 0.00 N ATOM 896 CA LYS A 84 -1.172 -11.261 13.838 1.00 0.00 C ATOM 897 C LYS A 84 -1.320 -10.109 14.826 1.00 0.00 C ATOM 898 O LYS A 84 -0.429 -9.234 14.862 1.00 0.00 O ATOM 899 CB LYS A 84 0.190 -11.945 14.003 1.00 0.00 C ATOM 900 CG LYS A 84 0.392 -12.596 15.361 1.00 0.00 C ATOM 901 CD LYS A 84 1.631 -13.481 15.378 1.00 0.00 C ATOM 902 CE LYS A 84 2.885 -12.703 15.019 1.00 0.00 C ATOM 903 NZ LYS A 84 4.093 -13.567 15.002 1.00 0.00 N1+ ATOM 904 OXT LYS A 84 -2.339 -10.067 15.544 1.00 0.00 O ATOM 0 H LYS A 84 -1.314 -9.750 12.401 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.947 -12.000 14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.301 -12.703 13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.977 -11.208 13.844 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.485 -11.824 16.125 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.485 -13.192 15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.748 -13.923 16.367 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.500 -14.304 14.675 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.757 -12.241 14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.028 -11.895 15.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.925 -12.995 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.232 -13.988 15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.969 -14.323 14.299 1.00 0.00 H new TER 918 LYS A 84 ATOM 919 N PRO B 24 11.234 -0.393 13.210 1.00 0.00 N ATOM 920 CA PRO B 24 11.201 0.348 11.930 1.00 0.00 C ATOM 921 C PRO B 24 10.487 1.679 12.108 1.00 0.00 C ATOM 922 O PRO B 24 9.614 1.807 12.963 1.00 0.00 O ATOM 923 CB PRO B 24 10.486 -0.500 10.891 1.00 0.00 C ATOM 924 CG PRO B 24 9.961 -1.650 11.671 1.00 0.00 C ATOM 925 CD PRO B 24 10.853 -1.779 12.883 1.00 0.00 C ATOM 0 HA PRO B 24 12.219 0.552 11.599 1.00 0.00 H new ATOM 0 HB2 PRO B 24 9.682 0.055 10.406 1.00 0.00 H new ATOM 0 HB3 PRO B 24 11.167 -0.827 10.105 1.00 0.00 H new ATOM 0 HG2 PRO B 24 8.926 -1.480 11.966 1.00 0.00 H new ATOM 0 HG3 PRO B 24 9.977 -2.564 11.077 1.00 0.00 H new ATOM 0 HD2 PRO B 24 10.329 -2.253 13.713 1.00 0.00 H new ATOM 0 HD3 PRO B 24 11.729 -2.391 12.668 1.00 0.00 H new ATOM 933 N ALA B 25 10.867 2.670 11.308 1.00 0.00 N ATOM 934 CA ALA B 25 10.264 3.994 11.394 1.00 0.00 C ATOM 935 C ALA B 25 9.806 4.480 10.018 1.00 0.00 C ATOM 936 O ALA B 25 8.682 4.205 9.597 1.00 0.00 O ATOM 937 CB ALA B 25 11.238 4.981 12.025 1.00 0.00 C ATOM 0 H ALA B 25 11.589 2.581 10.593 1.00 0.00 H new ATOM 0 HA ALA B 25 9.382 3.927 12.031 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.773 5.965 12.082 1.00 0.00 H new ATOM 0 HB2 ALA B 25 11.499 4.644 13.028 1.00 0.00 H new ATOM 0 HB3 ALA B 25 12.140 5.041 11.417 1.00 0.00 H new ATOM 943 N ILE B 26 10.688 5.183 9.315 1.00 0.00 N ATOM 944 CA ILE B 26 10.383 5.696 7.982 1.00 0.00 C ATOM 945 C ILE B 26 11.369 5.104 6.989 1.00 0.00 C ATOM 946 O ILE B 26 12.511 5.560 6.893 1.00 0.00 O ATOM 947 CB ILE B 26 10.466 7.241 7.924 1.00 0.00 C ATOM 948 CG1 ILE B 26 9.694 7.877 9.088 1.00 0.00 C ATOM 949 CG2 ILE B 26 9.926 7.752 6.591 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.214 7.558 9.090 1.00 0.00 C ATOM 0 H ILE B 26 11.625 5.412 9.648 1.00 0.00 H new ATOM 0 HA ILE B 26 9.362 5.408 7.734 1.00 0.00 H new ATOM 0 HB ILE B 26 11.514 7.527 8.013 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.130 7.539 10.028 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.822 8.959 9.048 1.00 0.00 H new ATOM 0 HG21 ILE B 26 9.991 8.840 6.565 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.516 7.334 5.775 1.00 0.00 H new ATOM 0 HG23 ILE B 26 8.885 7.448 6.479 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.738 8.043 9.942 1.00 0.00 H new ATOM 0 HD12 ILE B 26 7.762 7.921 8.167 1.00 0.00 H new ATOM 0 HD13 ILE B 26 8.074 6.479 9.162 1.00 0.00 H new ATOM 962 N LEU B 27 10.945 4.078 6.267 1.00 0.00 N ATOM 963 CA LEU B 27 11.870 3.317 5.446 1.00 0.00 C ATOM 964 C LEU B 27 11.161 2.479 4.395 1.00 0.00 C ATOM 965 O LEU B 27 9.934 2.448 4.321 1.00 0.00 O ATOM 966 CB LEU B 27 12.710 2.416 6.354 1.00 0.00 C ATOM 967 CG LEU B 27 11.919 1.605 7.380 1.00 0.00 C ATOM 968 CD1 LEU B 27 11.649 0.207 6.864 1.00 0.00 C ATOM 969 CD2 LEU B 27 12.663 1.563 8.704 1.00 0.00 C ATOM 0 H LEU B 27 9.977 3.757 6.233 1.00 0.00 H new ATOM 0 HA LEU B 27 12.505 4.023 4.911 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.278 1.726 5.729 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.434 3.035 6.884 1.00 0.00 H new ATOM 0 HG LEU B 27 10.958 2.092 7.543 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.085 -0.353 7.610 1.00 0.00 H new ATOM 0 HD12 LEU B 27 11.072 0.265 5.941 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.595 -0.298 6.670 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.089 0.982 9.426 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.638 1.099 8.559 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.796 2.578 9.079 1.00 0.00 H new ATOM 981 N ALA B 28 11.959 1.820 3.567 1.00 0.00 N ATOM 982 CA ALA B 28 11.453 0.848 2.620 1.00 0.00 C ATOM 983 C ALA B 28 11.467 -0.528 3.270 1.00 0.00 C ATOM 984 O ALA B 28 12.492 -0.955 3.801 1.00 0.00 O ATOM 985 CB ALA B 28 12.296 0.849 1.354 1.00 0.00 C ATOM 0 H ALA B 28 12.971 1.946 3.536 1.00 0.00 H new ATOM 0 HA ALA B 28 10.432 1.108 2.342 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.902 0.113 0.654 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.265 1.838 0.897 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.327 0.597 1.603 1.00 0.00 H new ATOM 991 N GLU B 29 10.323 -1.205 3.232 1.00 0.00 N ATOM 992 CA GLU B 29 10.143 -2.491 3.909 1.00 0.00 C ATOM 993 C GLU B 29 11.094 -3.553 3.360 1.00 0.00 C ATOM 994 O GLU B 29 11.406 -4.532 4.036 1.00 0.00 O ATOM 995 CB GLU B 29 8.701 -2.963 3.726 1.00 0.00 C ATOM 996 CG GLU B 29 8.290 -4.087 4.664 1.00 0.00 C ATOM 997 CD GLU B 29 8.106 -3.620 6.092 1.00 0.00 C ATOM 998 OE1 GLU B 29 6.982 -3.204 6.445 1.00 0.00 O1- ATOM 999 OE2 GLU B 29 9.075 -3.668 6.873 1.00 0.00 O ATOM 0 H GLU B 29 9.495 -0.881 2.733 1.00 0.00 H new ATOM 0 HA GLU B 29 10.366 -2.350 4.967 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.031 -2.116 3.876 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.567 -3.296 2.697 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.359 -4.529 4.308 1.00 0.00 H new ATOM 0 HG3 GLU B 29 9.046 -4.871 4.637 1.00 0.00 H new ATOM 1006 N ILE B 30 11.537 -3.350 2.131 1.00 0.00 N ATOM 1007 CA ILE B 30 12.410 -4.295 1.449 1.00 0.00 C ATOM 1008 C ILE B 30 13.452 -3.545 0.633 1.00 0.00 C ATOM 1009 O ILE B 30 13.336 -2.334 0.431 1.00 0.00 O ATOM 1010 CB ILE B 30 11.608 -5.217 0.508 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.636 -4.385 -0.332 1.00 0.00 C ATOM 1012 CG2 ILE B 30 10.867 -6.286 1.301 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.891 -5.183 -1.373 1.00 0.00 C ATOM 0 H ILE B 30 11.303 -2.526 1.577 1.00 0.00 H new ATOM 0 HA ILE B 30 12.897 -4.905 2.209 1.00 0.00 H new ATOM 0 HB ILE B 30 12.302 -5.724 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.914 -3.908 0.331 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.190 -3.587 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.308 -6.925 0.617 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.585 -6.890 1.857 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.177 -5.810 1.998 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.222 -4.524 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.603 -5.639 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.308 -5.964 -0.885 1.00 0.00 H new ATOM 1025 N SER B 31 14.467 -4.258 0.175 1.00 0.00 N ATOM 1026 CA SER B 31 15.496 -3.661 -0.652 1.00 0.00 C ATOM 1027 C SER B 31 15.203 -3.919 -2.116 1.00 0.00 C ATOM 1028 O SER B 31 14.776 -5.011 -2.505 1.00 0.00 O ATOM 1029 CB SER B 31 16.874 -4.219 -0.314 1.00 0.00 C ATOM 1030 OG SER B 31 17.907 -3.467 -0.933 1.00 0.00 O ATOM 0 H SER B 31 14.599 -5.252 0.363 1.00 0.00 H new ATOM 0 HA SER B 31 15.496 -2.589 -0.456 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.015 -4.212 0.767 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.936 -5.258 -0.637 1.00 0.00 H new ATOM 0 HG SER B 31 17.543 -2.617 -1.257 1.00 0.00 H new ATOM 1036 N GLY B 32 15.451 -2.913 -2.914 1.00 0.00 N ATOM 1037 CA GLY B 32 15.249 -3.017 -4.333 1.00 0.00 C ATOM 1038 C GLY B 32 14.977 -1.675 -4.960 1.00 0.00 C ATOM 1039 O GLY B 32 15.366 -0.639 -4.417 1.00 0.00 O ATOM 0 H GLY B 32 15.796 -2.006 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY B 32 16.131 -3.461 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.413 -3.687 -4.533 1.00 0.00 H new ATOM 1043 N ILE B 33 14.319 -1.696 -6.103 1.00 0.00 N ATOM 1044 CA ILE B 33 13.950 -0.478 -6.795 1.00 0.00 C ATOM 1045 C ILE B 33 12.523 -0.094 -6.436 1.00 0.00 C ATOM 1046 O ILE B 33 11.571 -0.747 -6.860 1.00 0.00 O ATOM 1047 CB ILE B 33 14.065 -0.658 -8.324 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.487 -1.085 -8.705 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.677 0.621 -9.050 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.552 -0.054 -8.381 1.00 0.00 C ATOM 0 H ILE B 33 14.027 -2.552 -6.575 1.00 0.00 H new ATOM 0 HA ILE B 33 14.633 0.313 -6.485 1.00 0.00 H new ATOM 0 HB ILE B 33 13.373 -1.443 -8.630 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.727 -2.014 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.517 -1.299 -9.773 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.766 0.470 -10.126 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.647 0.881 -8.804 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.339 1.430 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.529 -0.433 -8.681 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.340 0.870 -8.919 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.553 0.143 -7.309 1.00 0.00 H new ATOM 1062 N VAL B 34 12.371 0.949 -5.639 1.00 0.00 N ATOM 1063 CA VAL B 34 11.048 1.413 -5.257 1.00 0.00 C ATOM 1064 C VAL B 34 10.470 2.299 -6.348 1.00 0.00 C ATOM 1065 O VAL B 34 11.100 3.255 -6.784 1.00 0.00 O ATOM 1066 CB VAL B 34 11.057 2.165 -3.906 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.145 3.223 -3.882 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.695 2.791 -3.622 1.00 0.00 C ATOM 0 H VAL B 34 13.142 1.488 -5.245 1.00 0.00 H new ATOM 0 HA VAL B 34 10.419 0.532 -5.131 1.00 0.00 H new ATOM 0 HB VAL B 34 11.269 1.439 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.131 3.738 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.116 2.749 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL B 34 11.970 3.943 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.727 3.314 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.447 3.497 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.936 2.009 -3.582 1.00 0.00 H new ATOM 1078 N SER B 35 9.285 1.958 -6.810 1.00 0.00 N ATOM 1079 CA SER B 35 8.633 2.724 -7.851 1.00 0.00 C ATOM 1080 C SER B 35 7.228 3.121 -7.422 1.00 0.00 C ATOM 1081 O SER B 35 6.703 2.607 -6.432 1.00 0.00 O ATOM 1082 CB SER B 35 8.605 1.918 -9.150 1.00 0.00 C ATOM 1083 OG SER B 35 8.186 0.579 -8.920 1.00 0.00 O ATOM 0 H SER B 35 8.753 1.153 -6.480 1.00 0.00 H new ATOM 0 HA SER B 35 9.198 3.639 -8.025 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.931 2.395 -9.861 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.597 1.918 -9.602 1.00 0.00 H new ATOM 0 HG SER B 35 8.036 0.443 -7.961 1.00 0.00 H new ATOM 1089 N PHE B 36 6.628 4.046 -8.153 1.00 0.00 N ATOM 1090 CA PHE B 36 5.291 4.507 -7.834 1.00 0.00 C ATOM 1091 C PHE B 36 4.367 4.307 -9.025 1.00 0.00 C ATOM 1092 O PHE B 36 4.695 4.690 -10.148 1.00 0.00 O ATOM 1093 CB PHE B 36 5.301 5.981 -7.427 1.00 0.00 C ATOM 1094 CG PHE B 36 6.172 6.293 -6.240 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.055 5.574 -5.060 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.105 7.316 -6.304 1.00 0.00 C ATOM 1097 CE1 PHE B 36 6.849 5.869 -3.970 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.901 7.614 -5.215 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.772 6.890 -4.048 1.00 0.00 C ATOM 0 H PHE B 36 7.047 4.491 -8.970 1.00 0.00 H new ATOM 0 HA PHE B 36 4.924 3.920 -6.992 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.637 6.577 -8.275 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.280 6.291 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.334 4.773 -4.993 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.211 7.886 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.747 5.301 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.624 8.414 -5.277 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.394 7.123 -3.196 1.00 0.00 H new ATOM 1109 N GLY B 37 3.219 3.702 -8.771 1.00 0.00 N ATOM 1110 CA GLY B 37 2.254 3.451 -9.824 1.00 0.00 C ATOM 1111 C GLY B 37 1.082 4.411 -9.770 1.00 0.00 C ATOM 1112 O GLY B 37 1.085 5.353 -8.965 1.00 0.00 O ATOM 0 H GLY B 37 2.934 3.377 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.746 3.536 -10.793 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.887 2.428 -9.741 1.00 0.00 H new ATOM 1116 N LYS B 38 0.074 4.151 -10.606 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.083 5.038 -10.743 1.00 0.00 C ATOM 1118 C LYS B 38 -1.764 5.307 -9.405 1.00 0.00 C ATOM 1119 O LYS B 38 -2.008 4.396 -8.605 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.097 4.498 -11.780 1.00 0.00 C ATOM 1121 CG LYS B 38 -2.911 3.264 -11.370 1.00 0.00 C ATOM 1122 CD LYS B 38 -2.032 2.074 -11.028 1.00 0.00 C ATOM 1123 CE LYS B 38 -2.830 0.783 -10.976 1.00 0.00 C ATOM 1124 NZ LYS B 38 -4.117 0.937 -10.241 1.00 0.00 N1+ ATOM 0 H LYS B 38 0.037 3.325 -11.203 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.702 5.991 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -2.794 5.300 -12.024 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.554 4.259 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.532 3.512 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -3.586 2.992 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -1.239 1.982 -11.770 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -1.550 2.243 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -3.034 0.444 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -2.232 0.009 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -4.346 0.048 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -4.029 1.704 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -4.876 1.167 -10.914 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.033 6.580 -9.173 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.655 7.051 -7.951 1.00 0.00 C ATOM 1140 C GLU B 39 -3.836 7.960 -8.274 1.00 0.00 C ATOM 1141 O GLU B 39 -3.988 8.402 -9.412 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.630 7.772 -7.066 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.519 8.502 -7.825 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.013 9.639 -8.698 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -1.197 10.761 -8.179 1.00 0.00 O1- ATOM 1146 OE2 GLU B 39 -1.201 9.423 -9.913 1.00 0.00 O ATOM 0 H GLU B 39 -1.822 7.324 -9.838 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.030 6.191 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.156 8.493 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.173 7.043 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.200 8.895 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.014 7.784 -8.448 1.00 0.00 H new ATOM 1153 N THR B 40 -4.695 8.198 -7.295 1.00 0.00 N ATOM 1154 CA THR B 40 -5.841 9.066 -7.499 1.00 0.00 C ATOM 1155 C THR B 40 -6.229 9.785 -6.204 1.00 0.00 C ATOM 1156 O THR B 40 -6.161 9.208 -5.111 1.00 0.00 O ATOM 1157 CB THR B 40 -7.049 8.273 -8.054 1.00 0.00 C ATOM 1158 OG1 THR B 40 -8.162 9.146 -8.293 1.00 0.00 O ATOM 1159 CG2 THR B 40 -7.464 7.166 -7.096 1.00 0.00 C ATOM 0 H THR B 40 -4.620 7.804 -6.357 1.00 0.00 H new ATOM 0 HA THR B 40 -5.554 9.817 -8.235 1.00 0.00 H new ATOM 0 HB THR B 40 -6.741 7.821 -8.997 1.00 0.00 H new ATOM 0 HG1 THR B 40 -8.915 8.627 -8.645 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.315 6.625 -7.511 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.631 6.477 -6.953 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.744 7.601 -6.137 1.00 0.00 H new ATOM 1167 N LYS B 41 -6.595 11.061 -6.348 1.00 0.00 N ATOM 1168 CA LYS B 41 -7.089 11.888 -5.246 1.00 0.00 C ATOM 1169 C LYS B 41 -6.102 11.945 -4.082 1.00 0.00 C ATOM 1170 O LYS B 41 -6.386 11.462 -2.980 1.00 0.00 O ATOM 1171 CB LYS B 41 -8.461 11.393 -4.778 1.00 0.00 C ATOM 1172 CG LYS B 41 -9.522 11.469 -5.865 1.00 0.00 C ATOM 1173 CD LYS B 41 -10.891 11.052 -5.355 1.00 0.00 C ATOM 1174 CE LYS B 41 -11.935 11.132 -6.458 1.00 0.00 C ATOM 1175 NZ LYS B 41 -13.298 10.810 -5.963 1.00 0.00 N1+ ATOM 0 H LYS B 41 -6.556 11.553 -7.241 1.00 0.00 H new ATOM 0 HA LYS B 41 -7.194 12.905 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -8.372 10.362 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -8.783 11.986 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -9.574 12.487 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -9.234 10.827 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -10.844 10.034 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -11.184 11.695 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -11.933 12.134 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -11.669 10.443 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -13.977 10.877 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -13.308 9.844 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -13.564 11.483 -5.216 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.942 12.539 -4.343 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.939 12.730 -3.311 1.00 0.00 C ATOM 1191 C GLY B 42 -3.407 11.421 -2.765 1.00 0.00 C ATOM 1192 O GLY B 42 -3.592 11.108 -1.587 1.00 0.00 O ATOM 0 H GLY B 42 -4.677 12.895 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -3.112 13.313 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -4.369 13.312 -2.495 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.761 10.646 -3.618 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.202 9.373 -3.217 1.00 0.00 C ATOM 1198 C LYS B 43 -0.951 9.077 -4.028 1.00 0.00 C ATOM 1199 O LYS B 43 -0.536 9.887 -4.855 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.237 8.263 -3.416 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.207 7.197 -2.337 1.00 0.00 C ATOM 1202 CD LYS B 43 -3.508 7.770 -0.959 1.00 0.00 C ATOM 1203 CE LYS B 43 -4.999 7.972 -0.732 1.00 0.00 C ATOM 1204 NZ LYS B 43 -5.573 9.075 -1.554 1.00 0.00 N1+ ATOM 0 H LYS B 43 -2.611 10.881 -4.599 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.933 9.418 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.232 8.708 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -3.069 7.792 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -3.935 6.421 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.227 6.721 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.114 7.100 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.992 8.723 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -5.524 7.045 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.174 8.184 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -6.424 9.448 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.871 9.836 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -5.825 8.712 -2.495 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.346 7.931 -3.765 1.00 0.00 N ATOM 1219 CA ARG B 44 0.820 7.484 -4.499 1.00 0.00 C ATOM 1220 C ARG B 44 0.958 5.968 -4.352 1.00 0.00 C ATOM 1221 O ARG B 44 0.962 5.446 -3.241 1.00 0.00 O ATOM 1222 CB ARG B 44 2.057 8.221 -3.980 1.00 0.00 C ATOM 1223 CG ARG B 44 3.363 7.764 -4.605 1.00 0.00 C ATOM 1224 CD ARG B 44 4.487 8.743 -4.315 1.00 0.00 C ATOM 1225 NE ARG B 44 4.281 10.026 -4.987 1.00 0.00 N ATOM 1226 CZ ARG B 44 5.152 11.033 -4.959 1.00 0.00 C ATOM 1227 NH1 ARG B 44 6.285 10.914 -4.285 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.890 12.158 -5.612 1.00 0.00 N ATOM 0 H ARG B 44 -0.651 7.286 -3.036 1.00 0.00 H new ATOM 0 HA ARG B 44 0.715 7.711 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.934 9.288 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.118 8.088 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.628 6.779 -4.220 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.236 7.662 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.559 8.904 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.435 8.313 -4.637 1.00 0.00 H new ATOM 0 HE ARG B 44 3.415 10.158 -5.510 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.493 10.049 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.950 11.687 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG B 44 4.020 12.253 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG B 44 5.558 12.928 -5.589 1.00 0.00 H new ATOM 1242 N ARG B 45 1.030 5.252 -5.462 1.00 0.00 N ATOM 1243 CA ARG B 45 1.077 3.798 -5.401 1.00 0.00 C ATOM 1244 C ARG B 45 2.497 3.304 -5.131 1.00 0.00 C ATOM 1245 O ARG B 45 3.326 3.251 -6.035 1.00 0.00 O ATOM 1246 CB ARG B 45 0.520 3.206 -6.695 1.00 0.00 C ATOM 1247 CG ARG B 45 0.605 1.694 -6.776 1.00 0.00 C ATOM 1248 CD ARG B 45 -0.240 1.153 -7.915 1.00 0.00 C ATOM 1249 NE ARG B 45 -1.666 1.395 -7.691 1.00 0.00 N ATOM 1250 CZ ARG B 45 -2.520 0.459 -7.270 1.00 0.00 C ATOM 1251 NH1 ARG B 45 -2.107 -0.789 -7.091 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 -3.790 0.764 -7.055 1.00 0.00 N ATOM 0 H ARG B 45 1.057 5.645 -6.403 1.00 0.00 H new ATOM 0 HA ARG B 45 0.456 3.462 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.523 3.506 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.060 3.634 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.643 1.393 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG B 45 0.271 1.258 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG B 45 0.066 1.621 -8.850 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.065 0.083 -8.022 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.028 2.332 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.135 -1.036 -7.275 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -2.762 -1.502 -6.769 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.119 1.717 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.439 0.046 -6.733 1.00 0.00 H new ATOM 1266 N LEU B 46 2.765 2.946 -3.881 1.00 0.00 N ATOM 1267 CA LEU B 46 4.083 2.467 -3.479 1.00 0.00 C ATOM 1268 C LEU B 46 4.267 1.015 -3.894 1.00 0.00 C ATOM 1269 O LEU B 46 3.687 0.112 -3.291 1.00 0.00 O ATOM 1270 CB LEU B 46 4.262 2.586 -1.962 1.00 0.00 C ATOM 1271 CG LEU B 46 5.645 2.203 -1.425 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.651 3.314 -1.669 1.00 0.00 C ATOM 1273 CD2 LEU B 46 5.568 1.860 0.055 1.00 0.00 C ATOM 0 H LEU B 46 2.083 2.979 -3.124 1.00 0.00 H new ATOM 0 HA LEU B 46 4.832 3.084 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.051 3.614 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.517 1.957 -1.476 1.00 0.00 H new ATOM 0 HG LEU B 46 5.985 1.319 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.624 3.016 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.732 3.503 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.320 4.222 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.560 1.591 0.418 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.200 2.723 0.610 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.888 1.020 0.199 1.00 0.00 H new ATOM 1285 N VAL B 47 5.055 0.796 -4.930 1.00 0.00 N ATOM 1286 CA VAL B 47 5.382 -0.551 -5.359 1.00 0.00 C ATOM 1287 C VAL B 47 6.896 -0.739 -5.381 1.00 0.00 C ATOM 1288 O VAL B 47 7.591 -0.242 -6.271 1.00 0.00 O ATOM 1289 CB VAL B 47 4.770 -0.890 -6.743 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.273 -1.117 -6.621 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.042 0.210 -7.760 1.00 0.00 C ATOM 0 H VAL B 47 5.481 1.534 -5.490 1.00 0.00 H new ATOM 0 HA VAL B 47 4.943 -1.242 -4.639 1.00 0.00 H new ATOM 0 HB VAL B 47 5.246 -1.805 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL B 47 2.860 -1.354 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.085 -1.946 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.798 -0.215 -6.236 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.598 -0.062 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.605 1.145 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.118 0.336 -7.881 1.00 0.00 H new ATOM 1301 N ILE B 48 7.414 -1.430 -4.375 1.00 0.00 N ATOM 1302 CA ILE B 48 8.846 -1.658 -4.287 1.00 0.00 C ATOM 1303 C ILE B 48 9.200 -2.947 -5.005 1.00 0.00 C ATOM 1304 O ILE B 48 8.477 -3.937 -4.909 1.00 0.00 O ATOM 1305 CB ILE B 48 9.349 -1.728 -2.825 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.801 -0.547 -2.015 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.880 -1.732 -2.788 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.168 -0.595 -0.548 1.00 0.00 C ATOM 0 H ILE B 48 6.869 -1.838 -3.616 1.00 0.00 H new ATOM 0 HA ILE B 48 9.338 -0.808 -4.760 1.00 0.00 H new ATOM 0 HB ILE B 48 8.987 -2.654 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.176 0.382 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.715 -0.526 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.219 -1.781 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.255 -2.597 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.258 -0.820 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.746 0.272 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.770 -1.507 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.253 -0.585 -0.444 1.00 0.00 H new ATOM 1320 N THR B 49 10.297 -2.918 -5.733 1.00 0.00 N ATOM 1321 CA THR B 49 10.748 -4.071 -6.487 1.00 0.00 C ATOM 1322 C THR B 49 11.903 -4.763 -5.756 1.00 0.00 C ATOM 1323 O THR B 49 13.058 -4.358 -5.887 1.00 0.00 O ATOM 1324 CB THR B 49 11.173 -3.650 -7.913 1.00 0.00 C ATOM 1325 OG1 THR B 49 10.059 -3.041 -8.582 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.658 -4.845 -8.723 1.00 0.00 C ATOM 0 H THR B 49 10.899 -2.099 -5.819 1.00 0.00 H new ATOM 0 HA THR B 49 9.924 -4.779 -6.573 1.00 0.00 H new ATOM 0 HB THR B 49 11.996 -2.940 -7.828 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.327 -2.772 -9.485 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.949 -4.515 -9.720 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.516 -5.297 -8.226 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.857 -5.579 -8.804 1.00 0.00 H new ATOM 1334 N PRO B 50 11.594 -5.803 -4.956 1.00 0.00 N ATOM 1335 CA PRO B 50 12.594 -6.511 -4.145 1.00 0.00 C ATOM 1336 C PRO B 50 13.657 -7.197 -4.994 1.00 0.00 C ATOM 1337 O PRO B 50 13.345 -7.914 -5.949 1.00 0.00 O ATOM 1338 CB PRO B 50 11.777 -7.552 -3.373 1.00 0.00 C ATOM 1339 CG PRO B 50 10.509 -7.703 -4.140 1.00 0.00 C ATOM 1340 CD PRO B 50 10.245 -6.370 -4.781 1.00 0.00 C ATOM 0 HA PRO B 50 13.142 -5.823 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.311 -8.500 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO B 50 11.583 -7.222 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.601 -8.486 -4.893 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.688 -7.988 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.728 -6.478 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.622 -5.737 -4.150 1.00 0.00 H new ATOM 1348 N VAL B 51 14.914 -6.974 -4.640 1.00 0.00 N ATOM 1349 CA VAL B 51 16.029 -7.536 -5.390 1.00 0.00 C ATOM 1350 C VAL B 51 16.767 -8.605 -4.588 1.00 0.00 C ATOM 1351 O VAL B 51 17.408 -9.486 -5.158 1.00 0.00 O ATOM 1352 CB VAL B 51 17.032 -6.447 -5.815 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.378 -5.461 -6.772 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.587 -5.729 -4.594 1.00 0.00 C ATOM 0 H VAL B 51 15.188 -6.407 -3.837 1.00 0.00 H new ATOM 0 HA VAL B 51 15.599 -7.994 -6.281 1.00 0.00 H new ATOM 0 HB VAL B 51 17.862 -6.925 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL B 51 17.102 -4.699 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL B 51 16.034 -5.990 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.529 -4.986 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.294 -4.963 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL B 51 16.770 -5.262 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.095 -6.446 -3.950 1.00 0.00 H new ATOM 1364 N ASP B 52 16.671 -8.530 -3.265 1.00 0.00 N ATOM 1365 CA ASP B 52 17.374 -9.472 -2.399 1.00 0.00 C ATOM 1366 C ASP B 52 16.661 -10.814 -2.376 1.00 0.00 C ATOM 1367 O ASP B 52 17.261 -11.844 -2.067 1.00 0.00 O ATOM 1368 CB ASP B 52 17.489 -8.922 -0.975 1.00 0.00 C ATOM 1369 CG ASP B 52 16.143 -8.769 -0.296 1.00 0.00 C ATOM 1370 OD1 ASP B 52 15.527 -7.694 -0.432 1.00 0.00 O1- ATOM 1371 OD2 ASP B 52 15.699 -9.721 0.382 1.00 0.00 O ATOM 0 H ASP B 52 16.117 -7.831 -2.770 1.00 0.00 H new ATOM 0 HA ASP B 52 18.377 -9.611 -2.802 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.116 -9.588 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP B 52 17.989 -7.954 -1.003 1.00 0.00 H new ATOM 1376 N GLY B 53 15.382 -10.796 -2.707 1.00 0.00 N ATOM 1377 CA GLY B 53 14.598 -12.008 -2.727 1.00 0.00 C ATOM 1378 C GLY B 53 13.202 -11.751 -3.239 1.00 0.00 C ATOM 1379 O GLY B 53 12.905 -10.653 -3.710 1.00 0.00 O ATOM 0 H GLY B 53 14.869 -9.953 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.088 -12.750 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.547 -12.427 -1.722 1.00 0.00 H new ATOM 1383 N SER B 54 12.342 -12.748 -3.140 1.00 0.00 N ATOM 1384 CA SER B 54 10.980 -12.620 -3.618 1.00 0.00 C ATOM 1385 C SER B 54 10.052 -12.203 -2.483 1.00 0.00 C ATOM 1386 O SER B 54 9.202 -12.975 -2.037 1.00 0.00 O ATOM 1387 CB SER B 54 10.520 -13.930 -4.238 1.00 0.00 C ATOM 1388 OG SER B 54 11.441 -14.371 -5.225 1.00 0.00 O ATOM 0 H SER B 54 12.564 -13.656 -2.732 1.00 0.00 H new ATOM 0 HA SER B 54 10.947 -11.844 -4.383 1.00 0.00 H new ATOM 0 HB2 SER B 54 10.420 -14.689 -3.462 1.00 0.00 H new ATOM 0 HB3 SER B 54 9.535 -13.800 -4.686 1.00 0.00 H new ATOM 0 HG SER B 54 11.128 -15.216 -5.610 1.00 0.00 H new ATOM 1394 N ASP B 55 10.234 -10.980 -2.010 1.00 0.00 N ATOM 1395 CA ASP B 55 9.400 -10.433 -0.947 1.00 0.00 C ATOM 1396 C ASP B 55 8.645 -9.208 -1.436 1.00 0.00 C ATOM 1397 O ASP B 55 9.099 -8.084 -1.253 1.00 0.00 O ATOM 1398 CB ASP B 55 10.245 -10.059 0.274 1.00 0.00 C ATOM 1399 CG ASP B 55 10.586 -11.256 1.137 1.00 0.00 C ATOM 1400 OD1 ASP B 55 9.683 -11.781 1.821 1.00 0.00 O1- ATOM 1401 OD2 ASP B 55 11.761 -11.684 1.139 1.00 0.00 O ATOM 0 H ASP B 55 10.956 -10.343 -2.347 1.00 0.00 H new ATOM 0 HA ASP B 55 8.685 -11.203 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP B 55 11.167 -9.582 -0.059 1.00 0.00 H new ATOM 0 HB3 ASP B 55 9.705 -9.326 0.873 1.00 0.00 H new ATOM 1406 N PRO B 56 7.489 -9.409 -2.083 1.00 0.00 N ATOM 1407 CA PRO B 56 6.678 -8.308 -2.606 1.00 0.00 C ATOM 1408 C PRO B 56 6.098 -7.441 -1.494 1.00 0.00 C ATOM 1409 O PRO B 56 5.467 -7.951 -0.562 1.00 0.00 O ATOM 1410 CB PRO B 56 5.549 -9.014 -3.368 1.00 0.00 C ATOM 1411 CG PRO B 56 6.017 -10.417 -3.551 1.00 0.00 C ATOM 1412 CD PRO B 56 6.876 -10.713 -2.359 1.00 0.00 C ATOM 0 HA PRO B 56 7.268 -7.632 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO B 56 4.615 -8.981 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO B 56 5.362 -8.533 -4.328 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.175 -11.107 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO B 56 6.581 -10.525 -4.477 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.289 -11.073 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO B 56 7.624 -11.476 -2.576 1.00 0.00 H new ATOM 1420 N TYR B 57 6.327 -6.139 -1.582 1.00 0.00 N ATOM 1421 CA TYR B 57 5.731 -5.203 -0.645 1.00 0.00 C ATOM 1422 C TYR B 57 5.169 -4.003 -1.384 1.00 0.00 C ATOM 1423 O TYR B 57 5.913 -3.195 -1.950 1.00 0.00 O ATOM 1424 CB TYR B 57 6.731 -4.737 0.414 1.00 0.00 C ATOM 1425 CG TYR B 57 6.103 -3.831 1.453 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.398 -4.362 2.526 1.00 0.00 C ATOM 1427 CD2 TYR B 57 6.203 -2.447 1.355 1.00 0.00 C ATOM 1428 CE1 TYR B 57 4.812 -3.540 3.472 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.620 -1.621 2.296 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.926 -2.172 3.352 1.00 0.00 C ATOM 1431 OH TYR B 57 4.347 -1.350 4.293 1.00 0.00 O ATOM 0 H TYR B 57 6.920 -5.709 -2.292 1.00 0.00 H new ATOM 0 HA TYR B 57 4.924 -5.728 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.161 -5.607 0.909 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.551 -4.210 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR B 57 5.306 -5.434 2.623 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.746 -2.011 0.529 1.00 0.00 H new ATOM 0 HE1 TYR B 57 4.268 -3.968 4.301 1.00 0.00 H new ATOM 0 HE2 TYR B 57 5.707 -0.548 2.205 1.00 0.00 H new ATOM 0 HH TYR B 57 4.382 -0.421 3.982 1.00 0.00 H new ATOM 1441 N GLU B 58 3.854 -3.907 -1.387 1.00 0.00 N ATOM 1442 CA GLU B 58 3.165 -2.800 -2.009 1.00 0.00 C ATOM 1443 C GLU B 58 2.244 -2.134 -0.996 1.00 0.00 C ATOM 1444 O GLU B 58 1.699 -2.799 -0.113 1.00 0.00 O ATOM 1445 CB GLU B 58 2.353 -3.278 -3.212 1.00 0.00 C ATOM 1446 CG GLU B 58 3.182 -3.877 -4.342 1.00 0.00 C ATOM 1447 CD GLU B 58 3.646 -5.297 -4.076 1.00 0.00 C ATOM 1448 OE1 GLU B 58 2.932 -6.048 -3.385 1.00 0.00 O ATOM 1449 OE2 GLU B 58 4.717 -5.676 -4.594 1.00 0.00 O1- ATOM 0 H GLU B 58 3.236 -4.595 -0.958 1.00 0.00 H new ATOM 0 HA GLU B 58 3.906 -2.079 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.632 -4.023 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.782 -2.437 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.593 -3.863 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.054 -3.246 -4.514 1.00 0.00 H new ATOM 1456 N GLU B 59 2.070 -0.826 -1.119 1.00 0.00 N ATOM 1457 CA GLU B 59 1.250 -0.081 -0.177 1.00 0.00 C ATOM 1458 C GLU B 59 0.671 1.169 -0.833 1.00 0.00 C ATOM 1459 O GLU B 59 1.303 1.786 -1.690 1.00 0.00 O ATOM 1460 CB GLU B 59 2.086 0.309 1.047 1.00 0.00 C ATOM 1461 CG GLU B 59 1.286 0.982 2.154 1.00 0.00 C ATOM 1462 CD GLU B 59 2.136 1.371 3.348 1.00 0.00 C ATOM 1463 OE1 GLU B 59 3.257 0.842 3.486 1.00 0.00 O ATOM 1464 OE2 GLU B 59 1.679 2.201 4.164 1.00 0.00 O1- ATOM 0 H GLU B 59 2.485 -0.261 -1.860 1.00 0.00 H new ATOM 0 HA GLU B 59 0.423 -0.717 0.139 1.00 0.00 H new ATOM 0 HB2 GLU B 59 2.562 -0.585 1.449 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.884 0.980 0.730 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.802 1.873 1.754 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.494 0.309 2.483 1.00 0.00 H new ATOM 1471 N MET B 60 -0.544 1.524 -0.442 1.00 0.00 N ATOM 1472 CA MET B 60 -1.154 2.774 -0.870 1.00 0.00 C ATOM 1473 C MET B 60 -0.600 3.911 -0.023 1.00 0.00 C ATOM 1474 O MET B 60 -1.210 4.335 0.960 1.00 0.00 O ATOM 1475 CB MET B 60 -2.685 2.688 -0.759 1.00 0.00 C ATOM 1476 CG MET B 60 -3.411 3.993 -1.051 1.00 0.00 C ATOM 1477 SD MET B 60 -5.181 3.767 -1.313 1.00 0.00 S ATOM 1478 CE MET B 60 -5.664 2.987 0.225 1.00 0.00 C ATOM 0 H MET B 60 -1.130 0.960 0.174 1.00 0.00 H new ATOM 0 HA MET B 60 -0.913 2.964 -1.916 1.00 0.00 H new ATOM 0 HB2 MET B 60 -3.045 1.924 -1.448 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.946 2.358 0.247 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.257 4.682 -0.221 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.974 4.456 -1.936 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.751 2.995 0.311 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.306 1.957 0.239 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.229 3.533 1.062 1.00 0.00 H new ATOM 1488 N ILE B 61 0.579 4.378 -0.401 1.00 0.00 N ATOM 1489 CA ILE B 61 1.284 5.373 0.379 1.00 0.00 C ATOM 1490 C ILE B 61 0.811 6.777 -0.002 1.00 0.00 C ATOM 1491 O ILE B 61 0.733 7.129 -1.177 1.00 0.00 O ATOM 1492 CB ILE B 61 2.823 5.231 0.211 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.553 5.960 1.335 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.289 5.752 -1.143 1.00 0.00 C ATOM 1495 CD1 ILE B 61 5.038 5.663 1.388 1.00 0.00 C ATOM 0 H ILE B 61 1.066 4.081 -1.246 1.00 0.00 H new ATOM 0 HA ILE B 61 1.056 5.209 1.432 1.00 0.00 H new ATOM 0 HB ILE B 61 3.063 4.169 0.262 1.00 0.00 H new ATOM 0 HG12 ILE B 61 3.410 7.034 1.213 1.00 0.00 H new ATOM 0 HG13 ILE B 61 3.102 5.685 2.288 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.370 5.637 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.802 5.186 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE B 61 3.029 6.806 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE B 61 5.490 6.216 2.211 1.00 0.00 H new ATOM 0 HD12 ILE B 61 5.190 4.595 1.541 1.00 0.00 H new ATOM 0 HD13 ILE B 61 5.503 5.965 0.450 1.00 0.00 H new ATOM 1507 N PRO B 62 0.417 7.584 0.980 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.006 8.953 0.731 1.00 0.00 C ATOM 1509 C PRO B 62 1.164 9.867 0.413 1.00 0.00 C ATOM 1510 O PRO B 62 2.253 9.733 0.969 1.00 0.00 O ATOM 1511 CB PRO B 62 -0.673 9.382 2.044 1.00 0.00 C ATOM 1512 CG PRO B 62 -0.765 8.150 2.884 1.00 0.00 C ATOM 1513 CD PRO B 62 0.314 7.231 2.400 1.00 0.00 C ATOM 0 HA PRO B 62 -0.668 9.016 -0.133 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.087 10.152 2.545 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -1.662 9.803 1.860 1.00 0.00 H new ATOM 0 HG2 PRO B 62 -0.629 8.388 3.939 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -1.746 7.684 2.786 1.00 0.00 H new ATOM 0 HD2 PRO B 62 1.253 7.394 2.928 1.00 0.00 H new ATOM 0 HD3 PRO B 62 0.048 6.183 2.540 1.00 0.00 H new ATOM 1521 N LYS B 63 0.912 10.803 -0.487 1.00 0.00 N ATOM 1522 CA LYS B 63 1.917 11.756 -0.922 1.00 0.00 C ATOM 1523 C LYS B 63 2.196 12.756 0.197 1.00 0.00 C ATOM 1524 O LYS B 63 3.262 13.364 0.257 1.00 0.00 O ATOM 1525 CB LYS B 63 1.411 12.464 -2.183 1.00 0.00 C ATOM 1526 CG LYS B 63 2.510 12.930 -3.134 1.00 0.00 C ATOM 1527 CD LYS B 63 3.246 14.161 -2.625 1.00 0.00 C ATOM 1528 CE LYS B 63 2.392 15.417 -2.734 1.00 0.00 C ATOM 1529 NZ LYS B 63 2.105 15.775 -4.149 1.00 0.00 N1+ ATOM 0 H LYS B 63 0.004 10.923 -0.936 1.00 0.00 H new ATOM 0 HA LYS B 63 2.851 11.244 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.746 11.789 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.816 13.327 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS B 63 3.224 12.120 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.073 13.150 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.535 14.007 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS B 63 4.165 14.296 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.453 15.265 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.904 16.247 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.798 16.767 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.965 15.649 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.352 15.160 -4.517 1.00 0.00 H new ATOM 1543 N TRP B 64 1.229 12.896 1.093 1.00 0.00 N ATOM 1544 CA TRP B 64 1.355 13.793 2.235 1.00 0.00 C ATOM 1545 C TRP B 64 2.064 13.099 3.397 1.00 0.00 C ATOM 1546 O TRP B 64 2.282 13.691 4.455 1.00 0.00 O ATOM 1547 CB TRP B 64 -0.022 14.322 2.667 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.179 13.506 2.166 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.747 13.570 0.924 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -1.918 12.519 2.894 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -2.780 12.672 0.832 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -2.909 12.018 2.027 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.837 12.003 4.191 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -3.809 11.031 2.417 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -2.732 11.023 4.576 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.705 10.545 3.692 1.00 0.00 C ATOM 0 H TRP B 64 0.341 12.396 1.051 1.00 0.00 H new ATOM 0 HA TRP B 64 1.964 14.645 1.932 1.00 0.00 H new ATOM 0 HB2 TRP B 64 -0.060 14.356 3.756 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.133 15.346 2.312 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -1.429 14.231 0.131 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.358 12.517 0.006 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -1.088 12.364 4.880 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.563 10.662 1.738 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -2.679 10.619 5.576 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.388 9.777 4.023 1.00 0.00 H new ATOM 1567 N ARG B 65 2.425 11.841 3.185 1.00 0.00 N ATOM 1568 CA ARG B 65 3.235 11.098 4.140 1.00 0.00 C ATOM 1569 C ARG B 65 4.711 11.363 3.867 1.00 0.00 C ATOM 1570 O ARG B 65 5.084 11.744 2.757 1.00 0.00 O ATOM 1571 CB ARG B 65 2.944 9.589 4.033 1.00 0.00 C ATOM 1572 CG ARG B 65 3.950 8.723 4.784 1.00 0.00 C ATOM 1573 CD ARG B 65 3.713 7.239 4.576 1.00 0.00 C ATOM 1574 NE ARG B 65 2.493 6.765 5.226 1.00 0.00 N ATOM 1575 CZ ARG B 65 2.068 5.502 5.176 1.00 0.00 C ATOM 1576 NH1 ARG B 65 2.763 4.591 4.508 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 0.957 5.147 5.809 1.00 0.00 N ATOM 0 H ARG B 65 2.167 11.310 2.353 1.00 0.00 H new ATOM 0 HA ARG B 65 2.986 11.427 5.149 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.945 9.391 4.421 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.941 9.301 2.982 1.00 0.00 H new ATOM 0 HG2 ARG B 65 4.958 8.976 4.455 1.00 0.00 H new ATOM 0 HG3 ARG B 65 3.896 8.950 5.849 1.00 0.00 H new ATOM 0 HD2 ARG B 65 3.655 7.031 3.508 1.00 0.00 H new ATOM 0 HD3 ARG B 65 4.566 6.681 4.963 1.00 0.00 H new ATOM 0 HE ARG B 65 1.934 7.440 5.748 1.00 0.00 H new ATOM 0 HH11 ARG B 65 3.625 4.856 4.031 1.00 0.00 H new ATOM 0 HH12 ARG B 65 2.436 3.626 4.471 1.00 0.00 H new ATOM 0 HH21 ARG B 65 0.426 5.841 6.335 1.00 0.00 H new ATOM 0 HH22 ARG B 65 0.634 4.180 5.769 1.00 0.00 H new ATOM 1591 N GLN B 66 5.536 11.187 4.887 1.00 0.00 N ATOM 1592 CA GLN B 66 6.976 11.232 4.721 1.00 0.00 C ATOM 1593 C GLN B 66 7.429 10.028 3.899 1.00 0.00 C ATOM 1594 O GLN B 66 7.535 8.908 4.400 1.00 0.00 O ATOM 1595 CB GLN B 66 7.692 11.272 6.087 1.00 0.00 C ATOM 1596 CG GLN B 66 7.279 10.180 7.071 1.00 0.00 C ATOM 1597 CD GLN B 66 5.888 10.375 7.643 1.00 0.00 C ATOM 1598 OE1 GLN B 66 5.408 11.499 7.777 1.00 0.00 O ATOM 1599 NE2 GLN B 66 5.224 9.279 7.970 1.00 0.00 N ATOM 0 H GLN B 66 5.228 11.011 5.843 1.00 0.00 H new ATOM 0 HA GLN B 66 7.243 12.146 4.190 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.766 11.199 5.918 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.507 12.242 6.548 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.324 9.214 6.569 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.998 10.148 7.889 1.00 0.00 H new ATOM 0 HE21 GLN B 66 5.657 8.364 7.844 1.00 0.00 H new ATOM 0 HE22 GLN B 66 4.279 9.349 8.348 1.00 0.00 H new ATOM 1608 N LEU B 67 7.650 10.270 2.619 1.00 0.00 N ATOM 1609 CA LEU B 67 7.987 9.217 1.677 1.00 0.00 C ATOM 1610 C LEU B 67 9.448 8.817 1.804 1.00 0.00 C ATOM 1611 O LEU B 67 10.273 9.597 2.286 1.00 0.00 O ATOM 1612 CB LEU B 67 7.682 9.691 0.258 1.00 0.00 C ATOM 1613 CG LEU B 67 6.198 9.927 -0.026 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.017 11.051 -1.031 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.551 8.653 -0.542 1.00 0.00 C ATOM 0 H LEU B 67 7.601 11.200 2.204 1.00 0.00 H new ATOM 0 HA LEU B 67 7.384 8.337 1.902 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.226 10.617 0.073 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.061 8.952 -0.448 1.00 0.00 H new ATOM 0 HG LEU B 67 5.712 10.216 0.906 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.954 11.203 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.450 11.969 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.517 10.789 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.495 8.836 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.044 8.342 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU B 67 5.649 7.866 0.206 1.00 0.00 H new ATOM 1627 N ASN B 68 9.766 7.606 1.369 1.00 0.00 N ATOM 1628 CA ASN B 68 11.122 7.089 1.484 1.00 0.00 C ATOM 1629 C ASN B 68 12.048 7.725 0.447 1.00 0.00 C ATOM 1630 O ASN B 68 13.079 8.292 0.800 1.00 0.00 O ATOM 1631 CB ASN B 68 11.140 5.548 1.394 1.00 0.00 C ATOM 1632 CG ASN B 68 10.197 4.979 0.346 1.00 0.00 C ATOM 1633 OD1 ASN B 68 9.921 5.601 -0.678 1.00 0.00 O ATOM 1634 ND2 ASN B 68 9.679 3.790 0.611 1.00 0.00 N ATOM 0 H ASN B 68 9.104 6.964 0.934 1.00 0.00 H new ATOM 0 HA ASN B 68 11.501 7.363 2.468 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.155 5.219 1.171 1.00 0.00 H new ATOM 0 HB3 ASN B 68 10.877 5.134 2.368 1.00 0.00 H new ATOM 0 HD21 ASN B 68 9.027 3.360 -0.045 1.00 0.00 H new ATOM 0 HD22 ASN B 68 9.932 3.304 1.471 1.00 0.00 H new ATOM 1641 N VAL B 69 11.677 7.659 -0.822 1.00 0.00 N ATOM 1642 CA VAL B 69 12.510 8.208 -1.882 1.00 0.00 C ATOM 1643 C VAL B 69 11.707 8.265 -3.189 1.00 0.00 C ATOM 1644 O VAL B 69 10.514 7.967 -3.185 1.00 0.00 O ATOM 1645 CB VAL B 69 13.807 7.370 -2.036 1.00 0.00 C ATOM 1646 CG1 VAL B 69 13.515 6.031 -2.681 1.00 0.00 C ATOM 1647 CG2 VAL B 69 14.894 8.123 -2.793 1.00 0.00 C ATOM 0 H VAL B 69 10.808 7.232 -1.143 1.00 0.00 H new ATOM 0 HA VAL B 69 12.810 9.224 -1.625 1.00 0.00 H new ATOM 0 HB VAL B 69 14.191 7.187 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.441 5.464 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL B 69 12.811 5.475 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.082 6.190 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL B 69 15.782 7.496 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.534 8.375 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.145 9.038 -2.256 1.00 0.00 H new ATOM 1657 N PHE B 70 12.337 8.678 -4.283 1.00 0.00 N ATOM 1658 CA PHE B 70 11.656 8.794 -5.568 1.00 0.00 C ATOM 1659 C PHE B 70 11.478 7.418 -6.212 1.00 0.00 C ATOM 1660 O PHE B 70 11.984 6.414 -5.707 1.00 0.00 O ATOM 1661 CB PHE B 70 12.459 9.706 -6.503 1.00 0.00 C ATOM 1662 CG PHE B 70 12.645 11.102 -5.977 1.00 0.00 C ATOM 1663 CD1 PHE B 70 13.712 11.411 -5.150 1.00 0.00 C ATOM 1664 CD2 PHE B 70 11.755 12.108 -6.315 1.00 0.00 C ATOM 1665 CE1 PHE B 70 13.884 12.694 -4.669 1.00 0.00 C ATOM 1666 CE2 PHE B 70 11.922 13.392 -5.837 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.988 13.685 -5.013 1.00 0.00 C ATOM 0 H PHE B 70 13.323 8.939 -4.306 1.00 0.00 H new ATOM 0 HA PHE B 70 10.670 9.227 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.438 9.260 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.955 9.756 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE B 70 14.418 10.640 -4.878 1.00 0.00 H new ATOM 0 HD2 PHE B 70 10.919 11.885 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE B 70 14.720 12.922 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.219 14.166 -6.108 1.00 0.00 H new ATOM 0 HZ PHE B 70 13.121 14.689 -4.637 1.00 0.00 H new ATOM 1677 N GLU B 71 10.747 7.371 -7.318 1.00 0.00 N ATOM 1678 CA GLU B 71 10.498 6.111 -8.007 1.00 0.00 C ATOM 1679 C GLU B 71 11.685 5.715 -8.882 1.00 0.00 C ATOM 1680 O GLU B 71 12.379 6.570 -9.436 1.00 0.00 O ATOM 1681 CB GLU B 71 9.225 6.190 -8.851 1.00 0.00 C ATOM 1682 CG GLU B 71 9.296 7.200 -9.986 1.00 0.00 C ATOM 1683 CD GLU B 71 8.054 7.199 -10.850 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.943 6.329 -11.737 1.00 0.00 O1- ATOM 1685 OE2 GLU B 71 7.178 8.067 -10.649 1.00 0.00 O ATOM 0 H GLU B 71 10.318 8.186 -7.756 1.00 0.00 H new ATOM 0 HA GLU B 71 10.363 5.344 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.016 5.205 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.387 6.446 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.443 8.197 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU B 71 10.165 6.982 -10.607 1.00 0.00 H new ATOM 1692 N GLY B 72 11.908 4.411 -8.990 1.00 0.00 N ATOM 1693 CA GLY B 72 13.013 3.893 -9.768 1.00 0.00 C ATOM 1694 C GLY B 72 14.329 4.096 -9.054 1.00 0.00 C ATOM 1695 O GLY B 72 15.396 4.108 -9.669 1.00 0.00 O ATOM 0 H GLY B 72 11.333 3.696 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.860 2.831 -9.959 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.042 4.390 -10.738 1.00 0.00 H new ATOM 1699 N GLU B 73 14.239 4.251 -7.745 1.00 0.00 N ATOM 1700 CA GLU B 73 15.400 4.466 -6.907 1.00 0.00 C ATOM 1701 C GLU B 73 15.767 3.183 -6.174 1.00 0.00 C ATOM 1702 O GLU B 73 14.893 2.417 -5.761 1.00 0.00 O ATOM 1703 CB GLU B 73 15.112 5.586 -5.909 1.00 0.00 C ATOM 1704 CG GLU B 73 15.045 6.970 -6.536 1.00 0.00 C ATOM 1705 CD GLU B 73 16.368 7.422 -7.114 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.233 7.884 -6.341 1.00 0.00 O1- ATOM 1707 OE2 GLU B 73 16.548 7.328 -8.345 1.00 0.00 O ATOM 0 H GLU B 73 13.356 4.231 -7.234 1.00 0.00 H new ATOM 0 HA GLU B 73 16.244 4.756 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.166 5.379 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.886 5.583 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.292 6.970 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.719 7.688 -5.784 1.00 0.00 H new ATOM 1714 N ARG B 74 17.059 2.948 -6.028 1.00 0.00 N ATOM 1715 CA ARG B 74 17.554 1.755 -5.361 1.00 0.00 C ATOM 1716 C ARG B 74 17.766 2.019 -3.878 1.00 0.00 C ATOM 1717 O ARG B 74 18.546 2.891 -3.492 1.00 0.00 O ATOM 1718 CB ARG B 74 18.855 1.288 -6.016 1.00 0.00 C ATOM 1719 CG ARG B 74 19.573 0.178 -5.261 1.00 0.00 C ATOM 1720 CD ARG B 74 18.806 -1.132 -5.320 1.00 0.00 C ATOM 1721 NE ARG B 74 19.443 -2.167 -4.509 1.00 0.00 N ATOM 1722 CZ ARG B 74 19.929 -3.311 -4.993 1.00 0.00 C ATOM 1723 NH1 ARG B 74 19.870 -3.575 -6.293 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 20.486 -4.188 -4.168 1.00 0.00 N ATOM 0 H ARG B 74 17.791 3.573 -6.365 1.00 0.00 H new ATOM 0 HA ARG B 74 16.810 0.965 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.636 0.942 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.527 2.141 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.568 0.036 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.707 0.474 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.786 -0.973 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.740 -1.469 -6.354 1.00 0.00 H new ATOM 0 HE ARG B 74 19.521 -2.004 -3.505 1.00 0.00 H new ATOM 0 HH11 ARG B 74 19.450 -2.900 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.245 -4.453 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.541 -3.986 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG B 74 20.859 -5.065 -4.532 1.00 0.00 H new ATOM 1738 N VAL B 75 17.060 1.262 -3.057 1.00 0.00 N ATOM 1739 CA VAL B 75 17.146 1.401 -1.610 1.00 0.00 C ATOM 1740 C VAL B 75 17.302 0.039 -0.948 1.00 0.00 C ATOM 1741 O VAL B 75 17.014 -0.994 -1.558 1.00 0.00 O ATOM 1742 CB VAL B 75 15.895 2.099 -1.035 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.833 3.551 -1.482 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.629 1.359 -1.448 1.00 0.00 C ATOM 0 H VAL B 75 16.414 0.537 -3.370 1.00 0.00 H new ATOM 0 HA VAL B 75 18.021 2.015 -1.397 1.00 0.00 H new ATOM 0 HB VAL B 75 15.966 2.079 0.052 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.943 4.022 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.721 4.078 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.790 3.595 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.759 1.867 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.555 1.343 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.666 0.337 -1.072 1.00 0.00 H new ATOM 1754 N GLU B 76 17.768 0.041 0.292 1.00 0.00 N ATOM 1755 CA GLU B 76 17.911 -1.185 1.064 1.00 0.00 C ATOM 1756 C GLU B 76 16.921 -1.163 2.224 1.00 0.00 C ATOM 1757 O GLU B 76 16.547 -0.092 2.701 1.00 0.00 O ATOM 1758 CB GLU B 76 19.349 -1.323 1.576 1.00 0.00 C ATOM 1759 CG GLU B 76 19.686 -2.717 2.085 1.00 0.00 C ATOM 1760 CD GLU B 76 21.130 -2.848 2.528 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.442 -2.469 3.673 1.00 0.00 O1- ATOM 1762 OE2 GLU B 76 21.962 -3.333 1.737 1.00 0.00 O ATOM 0 H GLU B 76 18.056 0.884 0.788 1.00 0.00 H new ATOM 0 HA GLU B 76 17.697 -2.046 0.430 1.00 0.00 H new ATOM 0 HB2 GLU B 76 20.038 -1.063 0.772 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.510 -0.604 2.379 1.00 0.00 H new ATOM 0 HG2 GLU B 76 19.031 -2.962 2.921 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.485 -3.444 1.299 1.00 0.00 H new ATOM 1769 N ARG B 77 16.488 -2.344 2.655 1.00 0.00 N ATOM 1770 CA ARG B 77 15.478 -2.467 3.702 1.00 0.00 C ATOM 1771 C ARG B 77 15.887 -1.729 4.967 1.00 0.00 C ATOM 1772 O ARG B 77 16.907 -2.041 5.580 1.00 0.00 O ATOM 1773 CB ARG B 77 15.224 -3.937 4.036 1.00 0.00 C ATOM 1774 CG ARG B 77 14.259 -4.134 5.195 1.00 0.00 C ATOM 1775 CD ARG B 77 14.128 -5.597 5.581 1.00 0.00 C ATOM 1776 NE ARG B 77 13.133 -5.794 6.635 1.00 0.00 N ATOM 1777 CZ ARG B 77 13.012 -6.908 7.352 1.00 0.00 C ATOM 1778 NH1 ARG B 77 13.846 -7.922 7.160 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 12.055 -7.009 8.268 1.00 0.00 N ATOM 0 H ARG B 77 16.824 -3.236 2.292 1.00 0.00 H new ATOM 0 HA ARG B 77 14.563 -2.016 3.318 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.828 -4.439 3.153 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.173 -4.417 4.277 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.604 -3.561 6.056 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.279 -3.741 4.922 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.849 -6.181 4.704 1.00 0.00 H new ATOM 0 HD3 ARG B 77 15.094 -5.972 5.919 1.00 0.00 H new ATOM 0 HE ARG B 77 12.490 -5.027 6.833 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.584 -7.850 6.460 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.749 -8.774 7.712 1.00 0.00 H new ATOM 0 HH21 ARG B 77 11.412 -6.232 8.422 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.963 -7.864 8.817 1.00 0.00 H new ATOM 1793 N GLY B 78 15.091 -0.742 5.344 1.00 0.00 N ATOM 1794 CA GLY B 78 15.315 -0.053 6.596 1.00 0.00 C ATOM 1795 C GLY B 78 16.093 1.236 6.444 1.00 0.00 C ATOM 1796 O GLY B 78 15.800 2.218 7.118 1.00 0.00 O ATOM 0 H GLY B 78 14.293 -0.405 4.805 1.00 0.00 H new ATOM 0 HA2 GLY B 78 14.353 0.165 7.059 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.853 -0.715 7.275 1.00 0.00 H new ATOM 1800 N ASP B 79 17.088 1.240 5.574 1.00 0.00 N ATOM 1801 CA ASP B 79 17.926 2.420 5.375 1.00 0.00 C ATOM 1802 C ASP B 79 17.388 3.302 4.254 1.00 0.00 C ATOM 1803 O ASP B 79 17.289 2.858 3.111 1.00 0.00 O ATOM 1804 CB ASP B 79 19.368 2.013 5.055 1.00 0.00 C ATOM 1805 CG ASP B 79 20.073 1.357 6.225 1.00 0.00 C ATOM 1806 OD1 ASP B 79 20.690 2.077 7.037 1.00 0.00 O ATOM 1807 OD2 ASP B 79 20.027 0.114 6.333 1.00 0.00 O1- ATOM 0 H ASP B 79 17.339 0.441 4.992 1.00 0.00 H new ATOM 0 HA ASP B 79 17.909 2.989 6.304 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.366 1.327 4.208 1.00 0.00 H new ATOM 0 HB3 ASP B 79 19.929 2.896 4.749 1.00 0.00 H new ATOM 1812 N VAL B 80 17.025 4.545 4.584 1.00 0.00 N ATOM 1813 CA VAL B 80 16.659 5.534 3.569 1.00 0.00 C ATOM 1814 C VAL B 80 16.361 6.913 4.182 1.00 0.00 C ATOM 1815 O VAL B 80 16.934 7.915 3.757 1.00 0.00 O ATOM 1816 CB VAL B 80 15.472 5.069 2.683 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.240 4.738 3.508 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.151 6.117 1.631 1.00 0.00 C ATOM 0 H VAL B 80 16.977 4.888 5.543 1.00 0.00 H new ATOM 0 HA VAL B 80 17.533 5.631 2.925 1.00 0.00 H new ATOM 0 HB VAL B 80 15.779 4.151 2.182 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.435 4.417 2.847 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.476 3.937 4.208 1.00 0.00 H new ATOM 0 HG13 VAL B 80 13.924 5.622 4.062 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.317 5.775 1.019 1.00 0.00 H new ATOM 0 HG22 VAL B 80 14.882 7.053 2.120 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.024 6.276 0.998 1.00 0.00 H new ATOM 1828 N ILE B 81 15.475 6.968 5.175 1.00 0.00 N ATOM 1829 CA ILE B 81 15.129 8.235 5.822 1.00 0.00 C ATOM 1830 C ILE B 81 15.504 8.202 7.299 1.00 0.00 C ATOM 1831 O ILE B 81 16.204 9.083 7.802 1.00 0.00 O ATOM 1832 CB ILE B 81 13.611 8.535 5.717 1.00 0.00 C ATOM 1833 CG1 ILE B 81 13.161 8.623 4.258 1.00 0.00 C ATOM 1834 CG2 ILE B 81 13.259 9.822 6.454 1.00 0.00 C ATOM 1835 CD1 ILE B 81 13.852 9.716 3.469 1.00 0.00 C ATOM 0 H ILE B 81 14.985 6.155 5.549 1.00 0.00 H new ATOM 0 HA ILE B 81 15.688 9.015 5.305 1.00 0.00 H new ATOM 0 HB ILE B 81 13.081 7.707 6.188 1.00 0.00 H new ATOM 0 HG12 ILE B 81 13.346 7.665 3.772 1.00 0.00 H new ATOM 0 HG13 ILE B 81 12.085 8.792 4.229 1.00 0.00 H new ATOM 0 HG21 ILE B 81 12.189 10.011 6.366 1.00 0.00 H new ATOM 0 HG22 ILE B 81 13.524 9.723 7.507 1.00 0.00 H new ATOM 0 HG23 ILE B 81 13.811 10.654 6.017 1.00 0.00 H new ATOM 0 HD11 ILE B 81 13.480 9.716 2.444 1.00 0.00 H new ATOM 0 HD12 ILE B 81 13.646 10.682 3.929 1.00 0.00 H new ATOM 0 HD13 ILE B 81 14.927 9.538 3.465 1.00 0.00 H new ATOM 1847 N SER B 82 15.047 7.163 7.977 1.00 0.00 N ATOM 1848 CA SER B 82 15.297 6.983 9.395 1.00 0.00 C ATOM 1849 C SER B 82 15.014 5.541 9.773 1.00 0.00 C ATOM 1850 O SER B 82 13.866 5.086 9.743 1.00 0.00 O ATOM 1851 CB SER B 82 14.412 7.924 10.214 1.00 0.00 C ATOM 1852 OG SER B 82 14.831 7.998 11.567 1.00 0.00 O ATOM 0 H SER B 82 14.490 6.419 7.557 1.00 0.00 H new ATOM 0 HA SER B 82 16.340 7.218 9.609 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.434 8.920 9.772 1.00 0.00 H new ATOM 0 HB3 SER B 82 13.379 7.579 10.172 1.00 0.00 H new ATOM 0 HG SER B 82 14.244 8.609 12.058 1.00 0.00 H new ATOM 1858 N ASP B 83 16.066 4.825 10.107 1.00 0.00 N ATOM 1859 CA ASP B 83 15.944 3.430 10.486 1.00 0.00 C ATOM 1860 C ASP B 83 15.871 3.314 11.996 1.00 0.00 C ATOM 1861 O ASP B 83 16.436 4.132 12.724 1.00 0.00 O ATOM 1862 CB ASP B 83 17.119 2.602 9.948 1.00 0.00 C ATOM 1863 CG ASP B 83 18.406 2.815 10.720 1.00 0.00 C ATOM 1864 OD1 ASP B 83 19.100 3.825 10.469 1.00 0.00 O1- ATOM 1865 OD2 ASP B 83 18.740 1.965 11.573 1.00 0.00 O ATOM 0 H ASP B 83 17.020 5.186 10.124 1.00 0.00 H new ATOM 0 HA ASP B 83 15.028 3.035 10.047 1.00 0.00 H new ATOM 0 HB2 ASP B 83 16.855 1.545 9.981 1.00 0.00 H new ATOM 0 HB3 ASP B 83 17.285 2.857 8.901 1.00 0.00 H new ATOM 1870 N GLY B 84 15.155 2.315 12.455 1.00 0.00 N ATOM 1871 CA GLY B 84 15.014 2.087 13.873 1.00 0.00 C ATOM 1872 C GLY B 84 14.035 0.975 14.148 1.00 0.00 C ATOM 1873 O GLY B 84 13.912 0.072 13.295 1.00 0.00 O ATOM 1874 OXT GLY B 84 13.370 0.999 15.196 1.00 0.00 O ATOM 0 H GLY B 84 14.660 1.646 11.865 1.00 0.00 H new ATOM 0 HA2 GLY B 84 15.984 1.836 14.303 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.676 3.002 14.360 1.00 0.00 H new TER 1878 GLY B 84