USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -120:sc= -1.26 (180deg=-3.2!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.0176 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.783 K(o=-0.78,f=-2.9) USER MOD Single : A 11 ASN :FLIP amide:sc= -1.14 F(o=-3.6!,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= 0.288 X(o=0.29,f=-0.062) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -1.02 (180deg=-1.31) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00222 USER MOD Single : A 24 SER OG : rot -8:sc= 0.524 USER MOD Single : A 29 THR OG1 : rot 33:sc= -0.145! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -0.831 K(o=-0.83,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 54 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 57 GLN : amide:sc=-0.00476 K(o=-0.0048,f=-0.56) USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= 1.28 (180deg=0.845) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.715 USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0.132! (180deg=-0.252!) USER MOD Single : A 71 TYR OH : rot 120:sc= -0.703 USER MOD Single : A 72 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 136:sc= -4.81! (180deg=-7.76!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= -1.46 (180deg=-3.38!) USER MOD Single : A 89 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.228 -11.026 -9.303 1.00 0.00 N ATOM 2 CA MET A 1 -11.622 -11.408 -8.039 1.00 0.00 C ATOM 3 C MET A 1 -12.692 -11.702 -6.985 1.00 0.00 C ATOM 4 O MET A 1 -13.815 -11.210 -7.081 1.00 0.00 O ATOM 5 CB MET A 1 -10.716 -10.278 -7.545 1.00 0.00 C ATOM 6 CG MET A 1 -9.258 -10.738 -7.473 1.00 0.00 C ATOM 7 SD MET A 1 -8.750 -11.407 -9.047 1.00 0.00 S ATOM 8 CE MET A 1 -6.988 -11.134 -8.946 1.00 0.00 C ATOM 0 H1 MET A 1 -11.553 -10.458 -9.854 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.481 -11.881 -9.839 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.085 -10.465 -9.122 1.00 0.00 H new ATOM 0 HA MET A 1 -11.036 -12.313 -8.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.799 -9.422 -8.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.046 -9.946 -6.560 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.617 -9.900 -7.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.144 -11.492 -6.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.673 -10.487 -9.764 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.747 -10.660 -7.995 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.467 -12.089 -9.017 1.00 0.00 H new ATOM 18 N ASP A 2 -12.305 -12.503 -6.003 1.00 0.00 N ATOM 19 CA ASP A 2 -13.217 -12.867 -4.932 1.00 0.00 C ATOM 20 C ASP A 2 -12.605 -12.469 -3.588 1.00 0.00 C ATOM 21 O ASP A 2 -11.699 -13.137 -3.091 1.00 0.00 O ATOM 22 CB ASP A 2 -13.463 -14.378 -4.909 1.00 0.00 C ATOM 23 CG ASP A 2 -13.002 -15.128 -6.161 1.00 0.00 C ATOM 24 OD1 ASP A 2 -13.796 -15.388 -7.078 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.753 -15.451 -6.174 1.00 0.00 O ATOM 0 H ASP A 2 -11.373 -12.910 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.161 -12.349 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.954 -14.801 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.529 -14.555 -4.770 1.00 0.00 H new ATOM 31 N ILE A 3 -13.123 -11.380 -3.038 1.00 0.00 N ATOM 32 CA ILE A 3 -12.638 -10.884 -1.761 1.00 0.00 C ATOM 33 C ILE A 3 -13.721 -11.082 -0.698 1.00 0.00 C ATOM 34 O ILE A 3 -14.911 -11.021 -1.000 1.00 0.00 O ATOM 35 CB ILE A 3 -12.166 -9.435 -1.894 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.696 -9.374 -2.315 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.425 -8.652 -0.605 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.324 -7.973 -2.806 1.00 0.00 C ATOM 0 H ILE A 3 -13.873 -10.828 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.765 -11.452 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.748 -8.958 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.061 -9.649 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.510 -10.102 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.080 -7.625 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.493 -8.652 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.887 -9.120 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.274 -7.957 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.944 -7.711 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.488 -7.251 -2.006 1.00 0.00 H new ATOM 50 N SER A 4 -13.268 -11.317 0.524 1.00 0.00 N ATOM 51 CA SER A 4 -14.183 -11.525 1.634 1.00 0.00 C ATOM 52 C SER A 4 -13.842 -10.569 2.779 1.00 0.00 C ATOM 53 O SER A 4 -12.698 -10.513 3.227 1.00 0.00 O ATOM 54 CB SER A 4 -14.137 -12.975 2.121 1.00 0.00 C ATOM 55 OG SER A 4 -15.439 -13.541 2.235 1.00 0.00 O ATOM 0 H SER A 4 -12.280 -11.368 0.771 1.00 0.00 H new ATOM 0 HA SER A 4 -15.195 -11.319 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.542 -13.571 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.637 -13.017 3.089 1.00 0.00 H new ATOM 0 HG SER A 4 -15.367 -14.467 2.547 1.00 0.00 H new ATOM 61 N ILE A 5 -14.857 -9.842 3.221 1.00 0.00 N ATOM 62 CA ILE A 5 -14.680 -8.891 4.306 1.00 0.00 C ATOM 63 C ILE A 5 -14.734 -9.633 5.643 1.00 0.00 C ATOM 64 O ILE A 5 -15.620 -10.456 5.865 1.00 0.00 O ATOM 65 CB ILE A 5 -15.697 -7.753 4.193 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.674 -7.134 2.793 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.472 -6.707 5.287 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.345 -6.421 2.531 1.00 0.00 C ATOM 0 H ILE A 5 -15.805 -9.892 2.848 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.700 -8.419 4.242 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.693 -8.168 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.827 -7.912 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.497 -6.427 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.208 -5.909 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.579 -7.175 6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.469 -6.290 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.354 -5.990 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.206 -5.628 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.526 -7.136 2.610 1.00 0.00 H new ATOM 80 N ILE A 6 -13.774 -9.314 6.499 1.00 0.00 N ATOM 81 CA ILE A 6 -13.700 -9.941 7.808 1.00 0.00 C ATOM 82 C ILE A 6 -14.368 -9.031 8.842 1.00 0.00 C ATOM 83 O ILE A 6 -15.298 -9.447 9.530 1.00 0.00 O ATOM 84 CB ILE A 6 -12.253 -10.301 8.150 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.644 -11.204 7.075 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.158 -10.924 9.543 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.273 -12.599 7.112 1.00 0.00 C ATOM 0 H ILE A 6 -13.041 -8.630 6.312 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.247 -10.884 7.810 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.667 -9.382 8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.795 -10.759 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.568 -11.282 7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.119 -11.171 9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.526 -10.215 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.761 -11.831 9.578 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.823 -13.222 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.099 -13.051 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.346 -12.519 6.935 1.00 0.00 H new ATOM 99 N SER A 7 -13.867 -7.807 8.918 1.00 0.00 N ATOM 100 CA SER A 7 -14.403 -6.836 9.855 1.00 0.00 C ATOM 101 C SER A 7 -14.335 -5.432 9.251 1.00 0.00 C ATOM 102 O SER A 7 -13.655 -5.216 8.249 1.00 0.00 O ATOM 103 CB SER A 7 -13.648 -6.879 11.185 1.00 0.00 C ATOM 104 OG SER A 7 -12.245 -7.045 10.997 1.00 0.00 O ATOM 0 H SER A 7 -13.095 -7.466 8.345 1.00 0.00 H new ATOM 0 HA SER A 7 -15.445 -7.090 10.051 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.833 -5.958 11.737 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.032 -7.698 11.793 1.00 0.00 H new ATOM 0 HG SER A 7 -11.798 -7.066 11.869 1.00 0.00 H new ATOM 110 N ASP A 8 -15.047 -4.512 9.887 1.00 0.00 N ATOM 111 CA ASP A 8 -15.075 -3.136 9.424 1.00 0.00 C ATOM 112 C ASP A 8 -14.889 -2.197 10.617 1.00 0.00 C ATOM 113 O ASP A 8 -15.840 -1.917 11.346 1.00 0.00 O ATOM 114 CB ASP A 8 -16.415 -2.802 8.765 1.00 0.00 C ATOM 115 CG ASP A 8 -17.646 -3.074 9.633 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.728 -4.101 10.322 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.560 -2.165 9.580 1.00 0.00 O ATOM 0 H ASP A 8 -15.608 -4.694 10.719 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.274 -3.010 8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.412 -1.749 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.504 -3.378 7.844 1.00 0.00 H new ATOM 123 N ARG A 9 -13.657 -1.737 10.782 1.00 0.00 N ATOM 124 CA ARG A 9 -13.334 -0.837 11.876 1.00 0.00 C ATOM 125 C ARG A 9 -13.287 0.609 11.376 1.00 0.00 C ATOM 126 O ARG A 9 -13.060 0.853 10.192 1.00 0.00 O ATOM 127 CB ARG A 9 -11.986 -1.195 12.505 1.00 0.00 C ATOM 128 CG ARG A 9 -12.175 -2.099 13.726 1.00 0.00 C ATOM 129 CD ARG A 9 -11.586 -1.453 14.981 1.00 0.00 C ATOM 130 NE ARG A 9 -10.844 -2.462 15.769 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.323 -2.235 16.994 1.00 0.00 C ATOM 132 NH1 ARG A 9 -10.458 -1.026 17.582 1.00 0.00 N ATOM 133 NH2 ARG A 9 -9.680 -3.209 17.607 1.00 0.00 N ATOM 0 H ARG A 9 -12.871 -1.971 10.176 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.113 -0.940 12.631 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.359 -1.698 11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.464 -0.284 12.799 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.237 -2.295 13.877 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.695 -3.061 13.548 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.920 -0.636 14.701 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.383 -1.021 15.586 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.718 -3.388 15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.956 -0.277 17.100 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.062 -0.862 18.507 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.582 -4.118 17.156 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.281 -3.053 18.533 1.00 0.00 H new ATOM 146 N ASN A 10 -13.507 1.529 12.303 1.00 0.00 N ATOM 147 CA ASN A 10 -13.492 2.944 11.973 1.00 0.00 C ATOM 148 C ASN A 10 -12.627 3.693 12.988 1.00 0.00 C ATOM 149 O ASN A 10 -12.783 3.513 14.194 1.00 0.00 O ATOM 150 CB ASN A 10 -14.903 3.536 12.026 1.00 0.00 C ATOM 151 CG ASN A 10 -14.854 5.066 12.045 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.958 5.691 11.504 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.865 5.630 12.698 1.00 0.00 N ATOM 0 H ASN A 10 -13.697 1.322 13.284 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.093 3.050 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.476 3.197 11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.420 3.174 12.914 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.923 6.646 12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.583 5.047 13.129 1.00 0.00 H new ATOM 160 N ASN A 11 -11.733 4.516 12.462 1.00 0.00 N ATOM 161 CA ASN A 11 -10.841 5.292 13.307 1.00 0.00 C ATOM 162 C ASN A 11 -11.024 6.781 13.002 1.00 0.00 C ATOM 163 O ASN A 11 -10.361 7.323 12.119 1.00 0.00 O ATOM 164 CB ASN A 11 -9.378 4.932 13.043 1.00 0.00 C ATOM 165 CG ASN A 11 -9.066 3.515 13.527 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.243 2.576 12.601 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -8.692 3.288 14.665 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.607 4.663 11.461 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.084 5.070 14.346 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.167 5.010 11.976 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.727 5.645 13.550 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.576 4.056 15.327 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.495 2.330 14.955 1.00 0.00 H new ATOM 174 N PRO A 12 -11.950 7.416 13.770 1.00 0.00 N ATOM 175 CA PRO A 12 -12.228 8.830 13.591 1.00 0.00 C ATOM 176 C PRO A 12 -11.104 9.689 14.175 1.00 0.00 C ATOM 177 O PRO A 12 -10.711 10.691 13.581 1.00 0.00 O ATOM 178 CB PRO A 12 -13.566 9.058 14.274 1.00 0.00 C ATOM 179 CG PRO A 12 -13.764 7.874 15.207 1.00 0.00 C ATOM 180 CD PRO A 12 -12.754 6.806 14.825 1.00 0.00 C ATOM 0 HA PRO A 12 -12.278 9.119 12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.567 9.997 14.828 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.372 9.119 13.543 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.624 8.178 16.244 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.779 7.487 15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.138 6.521 15.678 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.249 5.901 14.473 1.00 0.00 H new ATOM 188 N LEU A 13 -10.619 9.263 15.332 1.00 0.00 N ATOM 189 CA LEU A 13 -9.549 9.980 16.005 1.00 0.00 C ATOM 190 C LEU A 13 -8.512 10.424 14.971 1.00 0.00 C ATOM 191 O LEU A 13 -8.458 11.597 14.605 1.00 0.00 O ATOM 192 CB LEU A 13 -8.965 9.133 17.137 1.00 0.00 C ATOM 193 CG LEU A 13 -9.912 8.819 18.296 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.473 7.401 18.177 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.226 9.053 19.644 1.00 0.00 C ATOM 0 H LEU A 13 -10.947 8.430 15.821 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.934 10.882 16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.614 8.191 16.715 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.092 9.649 17.537 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.757 9.505 18.242 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.143 7.204 19.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.023 7.305 17.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.653 6.683 18.192 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.921 8.822 20.451 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.351 8.408 19.724 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.917 10.095 19.719 1.00 0.00 H new ATOM 207 N LEU A 14 -7.714 9.463 14.529 1.00 0.00 N ATOM 208 CA LEU A 14 -6.681 9.740 13.545 1.00 0.00 C ATOM 209 C LEU A 14 -7.338 10.142 12.223 1.00 0.00 C ATOM 210 O LEU A 14 -6.674 10.666 11.330 1.00 0.00 O ATOM 211 CB LEU A 14 -5.727 8.552 13.421 1.00 0.00 C ATOM 212 CG LEU A 14 -5.091 8.063 14.725 1.00 0.00 C ATOM 213 CD1 LEU A 14 -5.190 6.542 14.846 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.647 8.555 14.848 1.00 0.00 C ATOM 0 H LEU A 14 -7.762 8.491 14.834 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.065 10.581 13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.270 7.721 12.971 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.929 8.823 12.730 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.649 8.489 15.559 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.731 6.221 15.781 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.238 6.244 14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.671 6.076 14.008 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.218 8.194 15.783 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.061 8.177 14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.632 9.645 14.839 1.00 0.00 H new ATOM 226 N GLN A 15 -8.635 9.883 12.141 1.00 0.00 N ATOM 227 CA GLN A 15 -9.389 10.211 10.942 1.00 0.00 C ATOM 228 C GLN A 15 -8.980 9.292 9.790 1.00 0.00 C ATOM 229 O GLN A 15 -8.617 9.764 8.713 1.00 0.00 O ATOM 230 CB GLN A 15 -9.202 11.682 10.562 1.00 0.00 C ATOM 231 CG GLN A 15 -10.442 12.503 10.921 1.00 0.00 C ATOM 232 CD GLN A 15 -10.057 13.782 11.666 1.00 0.00 C ATOM 233 OE1 GLN A 15 -10.425 14.883 11.292 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.299 13.575 12.738 1.00 0.00 N ATOM 0 H GLN A 15 -9.183 9.450 12.885 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.448 10.054 11.148 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.332 12.087 11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.005 11.763 9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.989 12.758 10.013 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.111 11.905 11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.027 12.626 12.995 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.989 14.365 13.304 1.00 0.00 H new ATOM 243 N ARG A 16 -9.054 7.996 10.054 1.00 0.00 N ATOM 244 CA ARG A 16 -8.696 7.006 9.053 1.00 0.00 C ATOM 245 C ARG A 16 -9.670 5.826 9.101 1.00 0.00 C ATOM 246 O ARG A 16 -10.442 5.693 10.049 1.00 0.00 O ATOM 247 CB ARG A 16 -7.272 6.491 9.269 1.00 0.00 C ATOM 248 CG ARG A 16 -6.299 7.651 9.498 1.00 0.00 C ATOM 249 CD ARG A 16 -5.000 7.439 8.719 1.00 0.00 C ATOM 250 NE ARG A 16 -4.307 8.733 8.531 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.697 9.417 9.523 1.00 0.00 C ATOM 252 NH1 ARG A 16 -3.691 8.934 10.784 1.00 0.00 N ATOM 253 NH2 ARG A 16 -3.108 10.564 9.242 1.00 0.00 N ATOM 0 H ARG A 16 -9.357 7.608 10.948 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.751 7.488 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.251 5.819 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.955 5.912 8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.764 8.587 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.079 7.741 10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.353 6.745 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.216 6.989 7.750 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.289 9.134 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.149 8.047 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.228 9.456 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.118 10.922 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.643 11.093 9.980 1.00 0.00 H new ATOM 266 N ARG A 17 -9.600 5.000 8.068 1.00 0.00 N ATOM 267 CA ARG A 17 -10.465 3.836 7.981 1.00 0.00 C ATOM 268 C ARG A 17 -9.636 2.551 8.046 1.00 0.00 C ATOM 269 O ARG A 17 -8.677 2.389 7.293 1.00 0.00 O ATOM 270 CB ARG A 17 -11.274 3.847 6.683 1.00 0.00 C ATOM 271 CG ARG A 17 -12.673 3.264 6.904 1.00 0.00 C ATOM 272 CD ARG A 17 -13.754 4.243 6.443 1.00 0.00 C ATOM 273 NE ARG A 17 -14.533 3.650 5.333 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.710 4.141 4.888 1.00 0.00 C ATOM 275 NH1 ARG A 17 -16.253 5.238 5.457 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.321 3.531 3.889 1.00 0.00 N ATOM 0 H ARG A 17 -8.958 5.114 7.284 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.153 3.871 8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.356 4.868 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.752 3.270 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.770 2.326 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.812 3.034 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.416 4.485 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.296 5.177 6.118 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.158 2.819 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.774 5.702 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.142 5.603 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.903 2.702 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.211 3.889 3.541 1.00 0.00 H new ATOM 289 N GLU A 18 -10.034 1.672 8.953 1.00 0.00 N ATOM 290 CA GLU A 18 -9.340 0.407 9.127 1.00 0.00 C ATOM 291 C GLU A 18 -10.267 -0.759 8.780 1.00 0.00 C ATOM 292 O GLU A 18 -11.116 -1.142 9.584 1.00 0.00 O ATOM 293 CB GLU A 18 -8.795 0.272 10.549 1.00 0.00 C ATOM 294 CG GLU A 18 -7.560 1.152 10.750 1.00 0.00 C ATOM 295 CD GLU A 18 -6.808 0.760 12.024 1.00 0.00 C ATOM 296 OE1 GLU A 18 -7.410 0.195 12.950 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.554 1.061 12.032 1.00 0.00 O ATOM 0 H GLU A 18 -10.829 1.811 9.576 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.490 0.384 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.566 0.553 11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.540 -0.769 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.898 1.058 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.860 2.198 10.808 1.00 0.00 H new ATOM 305 N ILE A 19 -10.073 -1.292 7.583 1.00 0.00 N ATOM 306 CA ILE A 19 -10.882 -2.407 7.119 1.00 0.00 C ATOM 307 C ILE A 19 -9.967 -3.580 6.760 1.00 0.00 C ATOM 308 O ILE A 19 -8.951 -3.397 6.092 1.00 0.00 O ATOM 309 CB ILE A 19 -11.796 -1.968 5.975 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.611 -0.732 6.367 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.690 -3.121 5.514 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.853 -0.593 5.485 1.00 0.00 C ATOM 0 H ILE A 19 -9.367 -0.973 6.920 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.547 -2.751 7.912 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.171 -1.686 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.909 -0.805 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.992 0.161 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.330 -2.782 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.069 -3.947 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.309 -3.457 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.414 0.292 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.550 -0.496 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.481 -1.476 5.599 1.00 0.00 H new ATOM 324 N LYS A 20 -10.360 -4.759 7.221 1.00 0.00 N ATOM 325 CA LYS A 20 -9.588 -5.960 6.956 1.00 0.00 C ATOM 326 C LYS A 20 -10.458 -6.963 6.193 1.00 0.00 C ATOM 327 O LYS A 20 -11.639 -7.121 6.497 1.00 0.00 O ATOM 328 CB LYS A 20 -9.004 -6.519 8.255 1.00 0.00 C ATOM 329 CG LYS A 20 -7.636 -7.159 8.011 1.00 0.00 C ATOM 330 CD LYS A 20 -7.785 -8.599 7.515 1.00 0.00 C ATOM 331 CE LYS A 20 -8.638 -9.425 8.480 1.00 0.00 C ATOM 332 NZ LYS A 20 -8.009 -10.741 8.731 1.00 0.00 N ATOM 0 H LYS A 20 -11.203 -4.907 7.776 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.733 -5.730 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.909 -5.719 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.685 -7.258 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.082 -6.573 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.055 -7.146 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.243 -8.601 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.801 -9.056 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.758 -8.887 9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.636 -9.566 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.493 -11.212 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.085 -11.331 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.006 -10.606 8.970 1.00 0.00 H new ATOM 345 N PHE A 21 -9.840 -7.610 5.218 1.00 0.00 N ATOM 346 CA PHE A 21 -10.543 -8.592 4.409 1.00 0.00 C ATOM 347 C PHE A 21 -9.561 -9.563 3.749 1.00 0.00 C ATOM 348 O PHE A 21 -8.351 -9.451 3.937 1.00 0.00 O ATOM 349 CB PHE A 21 -11.289 -7.821 3.318 1.00 0.00 C ATOM 350 CG PHE A 21 -10.424 -6.805 2.570 1.00 0.00 C ATOM 351 CD1 PHE A 21 -10.727 -5.481 2.629 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.352 -7.227 1.847 1.00 0.00 C ATOM 353 CE1 PHE A 21 -9.923 -4.538 1.935 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.548 -6.284 1.153 1.00 0.00 C ATOM 355 CZ PHE A 21 -8.851 -4.959 1.211 1.00 0.00 C ATOM 0 H PHE A 21 -8.860 -7.474 4.969 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.222 -9.172 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.698 -8.532 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.134 -7.301 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.578 -5.147 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.112 -8.279 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.163 -3.486 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.696 -6.619 0.579 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.241 -4.242 0.682 1.00 0.00 H new ATOM 365 N THR A 22 -10.120 -10.494 2.988 1.00 0.00 N ATOM 366 CA THR A 22 -9.309 -11.484 2.301 1.00 0.00 C ATOM 367 C THR A 22 -9.482 -11.355 0.786 1.00 0.00 C ATOM 368 O THR A 22 -10.501 -10.850 0.314 1.00 0.00 O ATOM 369 CB THR A 22 -9.689 -12.864 2.841 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.747 -13.099 3.884 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.415 -13.983 1.833 1.00 0.00 C ATOM 0 H THR A 22 -11.124 -10.583 2.833 1.00 0.00 H new ATOM 0 HA THR A 22 -8.247 -11.327 2.490 1.00 0.00 H new ATOM 0 HB THR A 22 -10.745 -12.870 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.921 -13.973 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.702 -14.941 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.994 -13.806 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.353 -14.000 1.587 1.00 0.00 H new ATOM 379 N VAL A 23 -8.473 -11.820 0.065 1.00 0.00 N ATOM 380 CA VAL A 23 -8.502 -11.764 -1.386 1.00 0.00 C ATOM 381 C VAL A 23 -8.080 -13.121 -1.954 1.00 0.00 C ATOM 382 O VAL A 23 -7.036 -13.655 -1.582 1.00 0.00 O ATOM 383 CB VAL A 23 -7.628 -10.610 -1.883 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.211 -10.711 -1.312 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.600 -10.561 -3.411 1.00 0.00 C ATOM 0 H VAL A 23 -7.630 -12.237 0.459 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.513 -11.564 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.069 -9.679 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.610 -9.879 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.254 -10.674 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.759 -11.652 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.972 -9.732 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.196 -11.496 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.612 -10.420 -3.789 1.00 0.00 H new ATOM 395 N SER A 24 -8.912 -13.638 -2.844 1.00 0.00 N ATOM 396 CA SER A 24 -8.637 -14.922 -3.467 1.00 0.00 C ATOM 397 C SER A 24 -8.707 -14.791 -4.990 1.00 0.00 C ATOM 398 O SER A 24 -9.521 -14.034 -5.515 1.00 0.00 O ATOM 399 CB SER A 24 -9.619 -15.991 -2.982 1.00 0.00 C ATOM 400 OG SER A 24 -8.994 -17.262 -2.831 1.00 0.00 O ATOM 0 H SER A 24 -9.777 -13.192 -3.149 1.00 0.00 H new ATOM 0 HA SER A 24 -7.632 -15.232 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.048 -15.683 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.443 -16.074 -3.691 1.00 0.00 H new ATOM 0 HG SER A 24 -8.082 -17.222 -3.187 1.00 0.00 H new ATOM 406 N PHE A 25 -7.841 -15.541 -5.656 1.00 0.00 N ATOM 407 CA PHE A 25 -7.793 -15.518 -7.109 1.00 0.00 C ATOM 408 C PHE A 25 -7.348 -16.873 -7.664 1.00 0.00 C ATOM 409 O PHE A 25 -7.193 -17.835 -6.913 1.00 0.00 O ATOM 410 CB PHE A 25 -6.768 -14.455 -7.506 1.00 0.00 C ATOM 411 CG PHE A 25 -5.437 -14.564 -6.759 1.00 0.00 C ATOM 412 CD1 PHE A 25 -5.114 -13.649 -5.806 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.576 -15.577 -7.049 1.00 0.00 C ATOM 414 CE1 PHE A 25 -3.879 -13.751 -5.113 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.341 -15.679 -6.357 1.00 0.00 C ATOM 416 CZ PHE A 25 -3.019 -14.763 -5.403 1.00 0.00 C ATOM 0 H PHE A 25 -7.167 -16.168 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.782 -15.298 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.579 -14.529 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.195 -13.468 -7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.797 -12.845 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.832 -16.304 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.623 -13.025 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.657 -16.483 -6.587 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.079 -14.840 -4.876 1.00 0.00 H new ATOM 426 N ASP A 26 -7.153 -16.904 -8.974 1.00 0.00 N ATOM 427 CA ASP A 26 -6.728 -18.124 -9.639 1.00 0.00 C ATOM 428 C ASP A 26 -5.277 -17.970 -10.098 1.00 0.00 C ATOM 429 O ASP A 26 -5.019 -17.681 -11.266 1.00 0.00 O ATOM 430 CB ASP A 26 -7.587 -18.408 -10.873 1.00 0.00 C ATOM 431 CG ASP A 26 -9.094 -18.252 -10.660 1.00 0.00 C ATOM 432 OD1 ASP A 26 -9.701 -17.260 -11.092 1.00 0.00 O ATOM 433 OD2 ASP A 26 -9.656 -19.215 -10.012 1.00 0.00 O ATOM 0 H ASP A 26 -7.282 -16.104 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.831 -18.947 -8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.277 -17.738 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.386 -19.425 -11.211 1.00 0.00 H new ATOM 439 N ALA A 27 -4.367 -18.170 -9.157 1.00 0.00 N ATOM 440 CA ALA A 27 -2.948 -18.056 -9.451 1.00 0.00 C ATOM 441 C ALA A 27 -2.597 -16.587 -9.689 1.00 0.00 C ATOM 442 O ALA A 27 -1.772 -16.018 -8.974 1.00 0.00 O ATOM 443 CB ALA A 27 -2.603 -18.939 -10.652 1.00 0.00 C ATOM 0 H ALA A 27 -4.584 -18.410 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.352 -18.405 -8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.539 -18.854 -10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.844 -19.977 -10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.180 -18.616 -11.519 1.00 0.00 H new ATOM 449 N ALA A 28 -3.240 -16.012 -10.695 1.00 0.00 N ATOM 450 CA ALA A 28 -3.006 -14.619 -11.035 1.00 0.00 C ATOM 451 C ALA A 28 -2.839 -13.806 -9.750 1.00 0.00 C ATOM 452 O ALA A 28 -3.793 -13.636 -8.991 1.00 0.00 O ATOM 453 CB ALA A 28 -4.155 -14.106 -11.906 1.00 0.00 C ATOM 0 H ALA A 28 -3.923 -16.486 -11.286 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.088 -14.514 -11.613 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.980 -13.061 -12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.211 -14.698 -12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.094 -14.193 -11.359 1.00 0.00 H new ATOM 459 N THR A 29 -1.622 -13.324 -9.546 1.00 0.00 N ATOM 460 CA THR A 29 -1.319 -12.532 -8.366 1.00 0.00 C ATOM 461 C THR A 29 -1.010 -11.086 -8.759 1.00 0.00 C ATOM 462 O THR A 29 0.093 -10.784 -9.211 1.00 0.00 O ATOM 463 CB THR A 29 -0.172 -13.217 -7.619 1.00 0.00 C ATOM 464 OG1 THR A 29 -0.818 -13.914 -6.556 1.00 0.00 O ATOM 465 CG2 THR A 29 0.743 -12.218 -6.908 1.00 0.00 C ATOM 0 H THR A 29 -0.834 -13.467 -10.178 1.00 0.00 H new ATOM 0 HA THR A 29 -2.177 -12.477 -7.695 1.00 0.00 H new ATOM 0 HB THR A 29 0.415 -13.811 -8.320 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.704 -14.211 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.539 -12.756 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.178 -11.538 -7.640 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.164 -11.647 -6.182 1.00 0.00 H new ATOM 473 N PRO A 30 -2.030 -10.208 -8.566 1.00 0.00 N ATOM 474 CA PRO A 30 -1.879 -8.801 -8.896 1.00 0.00 C ATOM 475 C PRO A 30 -1.019 -8.084 -7.853 1.00 0.00 C ATOM 476 O PRO A 30 -0.297 -8.724 -7.091 1.00 0.00 O ATOM 477 CB PRO A 30 -3.297 -8.259 -8.970 1.00 0.00 C ATOM 478 CG PRO A 30 -4.166 -9.262 -8.228 1.00 0.00 C ATOM 479 CD PRO A 30 -3.350 -10.530 -8.032 1.00 0.00 C ATOM 0 HA PRO A 30 -1.358 -8.644 -9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.362 -7.272 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.621 -8.152 -10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.480 -8.857 -7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.072 -9.475 -8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.294 -10.806 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.796 -11.373 -8.560 1.00 0.00 H new ATOM 487 N SER A 31 -1.126 -6.763 -7.853 1.00 0.00 N ATOM 488 CA SER A 31 -0.367 -5.951 -6.916 1.00 0.00 C ATOM 489 C SER A 31 -1.318 -5.229 -5.960 1.00 0.00 C ATOM 490 O SER A 31 -2.518 -5.500 -5.950 1.00 0.00 O ATOM 491 CB SER A 31 0.514 -4.940 -7.652 1.00 0.00 C ATOM 492 OG SER A 31 1.250 -5.544 -8.713 1.00 0.00 O ATOM 0 H SER A 31 -1.726 -6.235 -8.486 1.00 0.00 H new ATOM 0 HA SER A 31 0.284 -6.610 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.109 -4.140 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.206 -4.481 -6.946 1.00 0.00 H new ATOM 0 HG SER A 31 1.798 -4.865 -9.159 1.00 0.00 H new ATOM 498 N ILE A 32 -0.746 -4.325 -5.177 1.00 0.00 N ATOM 499 CA ILE A 32 -1.527 -3.562 -4.220 1.00 0.00 C ATOM 500 C ILE A 32 -2.392 -2.545 -4.968 1.00 0.00 C ATOM 501 O ILE A 32 -3.614 -2.547 -4.834 1.00 0.00 O ATOM 502 CB ILE A 32 -0.616 -2.936 -3.162 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.542 -3.873 -2.812 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.415 -2.524 -1.924 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.169 -3.490 -1.470 1.00 0.00 C ATOM 0 H ILE A 32 0.250 -4.105 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.206 -4.217 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.181 -2.028 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.183 -4.901 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.298 -3.832 -3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.743 -2.082 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.174 -1.795 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.898 -3.402 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.990 -4.171 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.549 -2.470 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.416 -3.556 -0.685 1.00 0.00 H new ATOM 517 N LYS A 33 -1.721 -1.700 -5.738 1.00 0.00 N ATOM 518 CA LYS A 33 -2.413 -0.680 -6.507 1.00 0.00 C ATOM 519 C LYS A 33 -3.401 -1.350 -7.463 1.00 0.00 C ATOM 520 O LYS A 33 -4.483 -0.822 -7.713 1.00 0.00 O ATOM 521 CB LYS A 33 -1.407 0.239 -7.205 1.00 0.00 C ATOM 522 CG LYS A 33 -2.119 1.234 -8.122 1.00 0.00 C ATOM 523 CD LYS A 33 -1.570 1.156 -9.549 1.00 0.00 C ATOM 524 CE LYS A 33 -2.704 1.188 -10.575 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.501 2.294 -11.537 1.00 0.00 N ATOM 0 H LYS A 33 -0.707 -1.701 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.995 -0.035 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.824 0.779 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.705 -0.359 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.189 1.026 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.993 2.245 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.890 1.989 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.991 0.241 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.747 0.238 -11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.660 1.312 -10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.279 2.302 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.482 3.200 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.598 2.159 -12.036 1.00 0.00 H new ATOM 538 N ASP A 34 -2.993 -2.502 -7.973 1.00 0.00 N ATOM 539 CA ASP A 34 -3.829 -3.250 -8.897 1.00 0.00 C ATOM 540 C ASP A 34 -5.039 -3.807 -8.146 1.00 0.00 C ATOM 541 O ASP A 34 -6.141 -3.863 -8.690 1.00 0.00 O ATOM 542 CB ASP A 34 -3.063 -4.429 -9.501 1.00 0.00 C ATOM 543 CG ASP A 34 -2.975 -4.428 -11.028 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.973 -4.192 -11.726 1.00 0.00 O ATOM 545 OD2 ASP A 34 -1.805 -4.688 -11.507 1.00 0.00 O ATOM 0 H ASP A 34 -2.094 -2.936 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.139 -2.575 -9.694 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.052 -4.433 -9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.540 -5.355 -9.180 1.00 0.00 H new ATOM 551 N VAL A 35 -4.794 -4.207 -6.906 1.00 0.00 N ATOM 552 CA VAL A 35 -5.850 -4.759 -6.075 1.00 0.00 C ATOM 553 C VAL A 35 -6.716 -3.618 -5.535 1.00 0.00 C ATOM 554 O VAL A 35 -7.919 -3.784 -5.344 1.00 0.00 O ATOM 555 CB VAL A 35 -5.246 -5.627 -4.969 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.285 -5.941 -3.890 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.649 -6.912 -5.546 1.00 0.00 C ATOM 0 H VAL A 35 -3.879 -4.159 -6.457 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.498 -5.410 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.439 -5.062 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.830 -6.559 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.643 -5.011 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.123 -6.477 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.226 -7.511 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.430 -7.482 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.865 -6.660 -6.260 1.00 0.00 H new ATOM 567 N LYS A 36 -6.069 -2.485 -5.303 1.00 0.00 N ATOM 568 CA LYS A 36 -6.763 -1.318 -4.789 1.00 0.00 C ATOM 569 C LYS A 36 -7.963 -1.006 -5.686 1.00 0.00 C ATOM 570 O LYS A 36 -8.993 -0.533 -5.210 1.00 0.00 O ATOM 571 CB LYS A 36 -5.795 -0.145 -4.627 1.00 0.00 C ATOM 572 CG LYS A 36 -6.082 0.949 -5.658 1.00 0.00 C ATOM 573 CD LYS A 36 -4.867 1.860 -5.843 1.00 0.00 C ATOM 574 CE LYS A 36 -5.208 3.309 -5.489 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.386 4.246 -6.286 1.00 0.00 N ATOM 0 H LYS A 36 -5.070 -2.351 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.154 -1.518 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.881 0.266 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.770 -0.497 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.348 0.494 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.939 1.541 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.048 1.512 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.521 1.806 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.266 3.495 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.037 3.480 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.631 5.224 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.379 4.079 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.570 4.094 -7.298 1.00 0.00 H new ATOM 588 N MET A 37 -7.788 -1.286 -6.970 1.00 0.00 N ATOM 589 CA MET A 37 -8.842 -1.040 -7.940 1.00 0.00 C ATOM 590 C MET A 37 -10.156 -1.686 -7.494 1.00 0.00 C ATOM 591 O MET A 37 -11.183 -1.015 -7.409 1.00 0.00 O ATOM 592 CB MET A 37 -8.428 -1.608 -9.298 1.00 0.00 C ATOM 593 CG MET A 37 -7.479 -0.654 -10.025 1.00 0.00 C ATOM 594 SD MET A 37 -8.147 -0.229 -11.625 1.00 0.00 S ATOM 595 CE MET A 37 -7.079 -1.199 -12.675 1.00 0.00 C ATOM 0 H MET A 37 -6.932 -1.681 -7.361 1.00 0.00 H new ATOM 0 HA MET A 37 -8.996 0.036 -8.019 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.942 -2.574 -9.159 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.314 -1.781 -9.909 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.333 0.249 -9.432 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.501 -1.120 -10.142 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.360 -1.050 -13.717 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.045 -0.887 -12.530 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.179 -2.254 -12.420 1.00 0.00 H new ATOM 605 N LYS A 38 -10.079 -2.981 -7.223 1.00 0.00 N ATOM 606 CA LYS A 38 -11.250 -3.725 -6.790 1.00 0.00 C ATOM 607 C LYS A 38 -11.634 -3.284 -5.375 1.00 0.00 C ATOM 608 O LYS A 38 -12.809 -3.065 -5.087 1.00 0.00 O ATOM 609 CB LYS A 38 -11.008 -5.230 -6.920 1.00 0.00 C ATOM 610 CG LYS A 38 -10.106 -5.537 -8.117 1.00 0.00 C ATOM 611 CD LYS A 38 -8.665 -5.793 -7.666 1.00 0.00 C ATOM 612 CE LYS A 38 -8.214 -7.203 -8.050 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.026 -7.308 -9.514 1.00 0.00 N ATOM 0 H LYS A 38 -9.225 -3.534 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.100 -3.506 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.549 -5.609 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.961 -5.747 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.485 -6.410 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.129 -4.702 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.001 -5.058 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.590 -5.664 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.281 -7.444 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.955 -7.931 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.720 -8.272 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.924 -7.099 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.302 -6.627 -9.821 1.00 0.00 H new ATOM 626 N LEU A 39 -10.619 -3.169 -4.530 1.00 0.00 N ATOM 627 CA LEU A 39 -10.836 -2.759 -3.153 1.00 0.00 C ATOM 628 C LEU A 39 -11.584 -1.424 -3.134 1.00 0.00 C ATOM 629 O LEU A 39 -12.439 -1.201 -2.280 1.00 0.00 O ATOM 630 CB LEU A 39 -9.510 -2.732 -2.388 1.00 0.00 C ATOM 631 CG LEU A 39 -8.767 -4.066 -2.287 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.436 -3.896 -1.554 1.00 0.00 C ATOM 633 CD2 LEU A 39 -9.647 -5.136 -1.638 1.00 0.00 C ATOM 0 H LEU A 39 -9.645 -3.352 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.464 -3.483 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.852 -2.007 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.703 -2.369 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.538 -4.408 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.927 -4.858 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.810 -3.187 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.620 -3.521 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.095 -6.074 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.928 -4.816 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.545 -5.281 -2.238 1.00 0.00 H new ATOM 645 N VAL A 40 -11.234 -0.573 -4.086 1.00 0.00 N ATOM 646 CA VAL A 40 -11.861 0.734 -4.190 1.00 0.00 C ATOM 647 C VAL A 40 -13.377 0.558 -4.311 1.00 0.00 C ATOM 648 O VAL A 40 -14.142 1.299 -3.695 1.00 0.00 O ATOM 649 CB VAL A 40 -11.255 1.515 -5.358 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.231 2.574 -5.874 1.00 0.00 C ATOM 651 CG2 VAL A 40 -9.919 2.145 -4.961 1.00 0.00 C ATOM 0 H VAL A 40 -10.524 -0.763 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.671 1.321 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.065 0.812 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.776 3.115 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.146 2.090 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.467 3.273 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.510 2.694 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.073 2.829 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.221 1.362 -4.665 1.00 0.00 H new ATOM 661 N ALA A 41 -13.765 -0.425 -5.109 1.00 0.00 N ATOM 662 CA ALA A 41 -15.175 -0.708 -5.318 1.00 0.00 C ATOM 663 C ALA A 41 -15.743 -1.393 -4.073 1.00 0.00 C ATOM 664 O ALA A 41 -16.869 -1.112 -3.666 1.00 0.00 O ATOM 665 CB ALA A 41 -15.345 -1.555 -6.580 1.00 0.00 C ATOM 0 H ALA A 41 -13.127 -1.036 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.734 0.216 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.403 -1.767 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.953 -1.010 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.800 -2.492 -6.465 1.00 0.00 H new ATOM 671 N VAL A 42 -14.938 -2.279 -3.505 1.00 0.00 N ATOM 672 CA VAL A 42 -15.347 -3.006 -2.317 1.00 0.00 C ATOM 673 C VAL A 42 -15.545 -2.020 -1.163 1.00 0.00 C ATOM 674 O VAL A 42 -16.564 -2.061 -0.475 1.00 0.00 O ATOM 675 CB VAL A 42 -14.329 -4.103 -1.997 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.741 -4.888 -0.750 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.135 -5.036 -3.195 1.00 0.00 C ATOM 0 H VAL A 42 -14.005 -2.509 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.301 -3.506 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.373 -3.623 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.000 -5.661 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.804 -4.211 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.713 -5.352 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.407 -5.807 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.086 -5.505 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.774 -4.462 -4.048 1.00 0.00 H new ATOM 687 N LEU A 43 -14.555 -1.158 -0.988 1.00 0.00 N ATOM 688 CA LEU A 43 -14.607 -0.163 0.070 1.00 0.00 C ATOM 689 C LEU A 43 -15.576 0.951 -0.331 1.00 0.00 C ATOM 690 O LEU A 43 -16.389 1.393 0.479 1.00 0.00 O ATOM 691 CB LEU A 43 -13.201 0.336 0.406 1.00 0.00 C ATOM 692 CG LEU A 43 -12.175 -0.740 0.765 1.00 0.00 C ATOM 693 CD1 LEU A 43 -10.866 -0.111 1.247 1.00 0.00 C ATOM 694 CD2 LEU A 43 -12.748 -1.724 1.786 1.00 0.00 C ATOM 0 H LEU A 43 -13.712 -1.128 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.991 -0.604 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.823 0.899 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.274 1.033 1.241 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.946 -1.308 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.154 -0.898 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.452 0.517 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.058 0.497 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.999 -2.479 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.024 -1.187 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.631 -2.208 1.369 1.00 0.00 H new ATOM 706 N ASN A 44 -15.456 1.374 -1.581 1.00 0.00 N ATOM 707 CA ASN A 44 -16.312 2.429 -2.099 1.00 0.00 C ATOM 708 C ASN A 44 -15.968 3.746 -1.402 1.00 0.00 C ATOM 709 O ASN A 44 -16.702 4.198 -0.523 1.00 0.00 O ATOM 710 CB ASN A 44 -17.787 2.123 -1.832 1.00 0.00 C ATOM 711 CG ASN A 44 -18.680 2.762 -2.896 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.219 3.365 -3.852 1.00 0.00 O ATOM 713 ND2 ASN A 44 -19.982 2.596 -2.681 1.00 0.00 N ATOM 0 H ASN A 44 -14.780 1.006 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.148 2.499 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -17.942 1.044 -1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.067 2.495 -0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.661 2.984 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.302 2.081 -1.861 1.00 0.00 H new ATOM 720 N ALA A 45 -14.854 4.328 -1.820 1.00 0.00 N ATOM 721 CA ALA A 45 -14.404 5.584 -1.246 1.00 0.00 C ATOM 722 C ALA A 45 -13.405 6.246 -2.198 1.00 0.00 C ATOM 723 O ALA A 45 -13.233 5.800 -3.331 1.00 0.00 O ATOM 724 CB ALA A 45 -13.808 5.329 0.139 1.00 0.00 C ATOM 0 H ALA A 45 -14.249 3.952 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.242 6.269 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.471 6.272 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.566 4.886 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.962 4.647 0.051 1.00 0.00 H new ATOM 730 N ASN A 46 -12.773 7.300 -1.703 1.00 0.00 N ATOM 731 CA ASN A 46 -11.797 8.028 -2.496 1.00 0.00 C ATOM 732 C ASN A 46 -10.618 7.107 -2.815 1.00 0.00 C ATOM 733 O ASN A 46 -9.966 6.590 -1.909 1.00 0.00 O ATOM 734 CB ASN A 46 -11.258 9.239 -1.730 1.00 0.00 C ATOM 735 CG ASN A 46 -10.804 10.338 -2.691 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.766 10.165 -3.899 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.464 11.475 -2.092 1.00 0.00 N ATOM 0 H ASN A 46 -12.918 7.667 -0.763 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.288 8.368 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.031 9.628 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.422 8.933 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.148 12.270 -2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.519 11.553 -1.076 1.00 0.00 H new ATOM 744 N LYS A 47 -10.379 6.931 -4.105 1.00 0.00 N ATOM 745 CA LYS A 47 -9.290 6.081 -4.556 1.00 0.00 C ATOM 746 C LYS A 47 -7.982 6.877 -4.527 1.00 0.00 C ATOM 747 O LYS A 47 -6.905 6.303 -4.372 1.00 0.00 O ATOM 748 CB LYS A 47 -9.611 5.477 -5.924 1.00 0.00 C ATOM 749 CG LYS A 47 -9.642 6.557 -7.007 1.00 0.00 C ATOM 750 CD LYS A 47 -8.274 6.703 -7.675 1.00 0.00 C ATOM 751 CE LYS A 47 -8.036 5.582 -8.690 1.00 0.00 C ATOM 752 NZ LYS A 47 -6.987 5.974 -9.657 1.00 0.00 N ATOM 0 H LYS A 47 -10.921 7.363 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.165 5.234 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.864 4.724 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.575 4.969 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.392 6.304 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.940 7.509 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.211 7.670 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.491 6.684 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.739 4.671 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.962 5.360 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.838 5.203 -10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.285 6.831 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.100 6.164 -9.149 1.00 0.00 H new ATOM 765 N GLN A 48 -8.121 8.186 -4.678 1.00 0.00 N ATOM 766 CA GLN A 48 -6.964 9.066 -4.671 1.00 0.00 C ATOM 767 C GLN A 48 -6.206 8.936 -3.350 1.00 0.00 C ATOM 768 O GLN A 48 -4.976 8.943 -3.332 1.00 0.00 O ATOM 769 CB GLN A 48 -7.379 10.517 -4.926 1.00 0.00 C ATOM 770 CG GLN A 48 -7.877 10.702 -6.360 1.00 0.00 C ATOM 771 CD GLN A 48 -7.425 12.049 -6.929 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.353 13.051 -6.237 1.00 0.00 O ATOM 773 NE2 GLN A 48 -7.128 12.016 -8.225 1.00 0.00 N ATOM 0 H GLN A 48 -9.016 8.658 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.297 8.765 -5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.164 10.803 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.532 11.178 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.500 9.894 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.965 10.641 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.210 11.142 -8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.818 12.864 -8.699 1.00 0.00 H new ATOM 782 N VAL A 49 -6.971 8.821 -2.274 1.00 0.00 N ATOM 783 CA VAL A 49 -6.386 8.690 -0.950 1.00 0.00 C ATOM 784 C VAL A 49 -6.768 7.330 -0.361 1.00 0.00 C ATOM 785 O VAL A 49 -7.344 7.259 0.723 1.00 0.00 O ATOM 786 CB VAL A 49 -6.817 9.865 -0.070 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.237 11.181 -0.590 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.341 9.941 0.037 1.00 0.00 C ATOM 0 H VAL A 49 -7.991 8.816 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.298 8.725 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.420 9.697 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.559 12.000 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.148 11.125 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.590 11.358 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.620 10.785 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.769 10.074 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.721 9.019 0.476 1.00 0.00 H new ATOM 798 N LEU A 50 -6.431 6.285 -1.102 1.00 0.00 N ATOM 799 CA LEU A 50 -6.731 4.931 -0.668 1.00 0.00 C ATOM 800 C LEU A 50 -5.514 4.039 -0.917 1.00 0.00 C ATOM 801 O LEU A 50 -4.907 4.093 -1.986 1.00 0.00 O ATOM 802 CB LEU A 50 -8.011 4.425 -1.335 1.00 0.00 C ATOM 803 CG LEU A 50 -8.292 2.927 -1.198 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.780 2.668 -0.958 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.764 2.158 -2.411 1.00 0.00 C ATOM 0 H LEU A 50 -5.953 6.348 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.928 4.910 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.856 4.973 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.966 4.670 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.756 2.557 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.952 1.596 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.093 3.167 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.357 3.056 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.976 1.096 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.252 2.524 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.687 2.306 -2.495 1.00 0.00 H new ATOM 817 N VAL A 51 -5.192 3.237 0.088 1.00 0.00 N ATOM 818 CA VAL A 51 -4.057 2.334 -0.009 1.00 0.00 C ATOM 819 C VAL A 51 -4.274 1.147 0.933 1.00 0.00 C ATOM 820 O VAL A 51 -5.250 1.114 1.680 1.00 0.00 O ATOM 821 CB VAL A 51 -2.759 3.092 0.272 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.602 2.524 -0.551 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.932 4.591 0.015 1.00 0.00 C ATOM 0 H VAL A 51 -5.697 3.194 0.973 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.971 1.935 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.516 2.959 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.691 3.082 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.455 1.474 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.834 2.611 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.994 5.106 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.212 4.752 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.713 4.984 0.665 1.00 0.00 H new ATOM 833 N VAL A 52 -3.346 0.204 0.867 1.00 0.00 N ATOM 834 CA VAL A 52 -3.423 -0.981 1.704 1.00 0.00 C ATOM 835 C VAL A 52 -2.286 -0.951 2.728 1.00 0.00 C ATOM 836 O VAL A 52 -1.249 -0.334 2.491 1.00 0.00 O ATOM 837 CB VAL A 52 -3.411 -2.239 0.834 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.730 -3.402 1.560 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.828 -2.618 0.398 1.00 0.00 C ATOM 0 H VAL A 52 -2.537 0.236 0.247 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.361 -0.996 2.259 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.832 -2.020 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.735 -4.284 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.701 -3.131 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.268 -3.620 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.791 -3.516 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.441 -2.808 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.263 -1.800 -0.177 1.00 0.00 H new ATOM 849 N ASP A 53 -2.519 -1.626 3.844 1.00 0.00 N ATOM 850 CA ASP A 53 -1.527 -1.685 4.905 1.00 0.00 C ATOM 851 C ASP A 53 -0.532 -2.808 4.604 1.00 0.00 C ATOM 852 O ASP A 53 0.674 -2.572 4.542 1.00 0.00 O ATOM 853 CB ASP A 53 -2.182 -1.983 6.255 1.00 0.00 C ATOM 854 CG ASP A 53 -2.128 -0.836 7.266 1.00 0.00 C ATOM 855 OD1 ASP A 53 -2.227 0.344 6.900 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.974 -1.200 8.495 1.00 0.00 O ATOM 0 H ASP A 53 -3.380 -2.137 4.037 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.026 -0.718 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.225 -2.249 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.698 -2.856 6.692 1.00 0.00 H new ATOM 862 N THR A 54 -1.073 -4.003 4.425 1.00 0.00 N ATOM 863 CA THR A 54 -0.247 -5.163 4.133 1.00 0.00 C ATOM 864 C THR A 54 -1.114 -6.327 3.651 1.00 0.00 C ATOM 865 O THR A 54 -2.325 -6.336 3.869 1.00 0.00 O ATOM 866 CB THR A 54 0.569 -5.489 5.385 1.00 0.00 C ATOM 867 OG1 THR A 54 1.830 -4.868 5.149 1.00 0.00 O ATOM 868 CG2 THR A 54 0.902 -6.978 5.494 1.00 0.00 C ATOM 0 H THR A 54 -2.074 -4.194 4.476 1.00 0.00 H new ATOM 0 HA THR A 54 0.449 -4.959 3.319 1.00 0.00 H new ATOM 0 HB THR A 54 0.017 -5.174 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.716 -3.895 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.482 -7.156 6.400 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.022 -7.555 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.483 -7.285 4.625 1.00 0.00 H new ATOM 876 N LEU A 55 -0.461 -7.283 3.006 1.00 0.00 N ATOM 877 CA LEU A 55 -1.157 -8.449 2.492 1.00 0.00 C ATOM 878 C LEU A 55 -0.278 -9.686 2.680 1.00 0.00 C ATOM 879 O LEU A 55 0.901 -9.570 3.012 1.00 0.00 O ATOM 880 CB LEU A 55 -1.592 -8.219 1.043 1.00 0.00 C ATOM 881 CG LEU A 55 -2.863 -8.948 0.601 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.987 -7.955 0.299 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.579 -9.872 -0.585 1.00 0.00 C ATOM 0 H LEU A 55 0.543 -7.273 2.828 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.076 -8.621 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.740 -7.149 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.776 -8.522 0.387 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.202 -9.576 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.879 -8.499 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.210 -7.375 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.674 -7.283 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.498 -10.378 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.204 -9.284 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.833 -10.613 -0.298 1.00 0.00 H new ATOM 895 N ASP A 56 -0.884 -10.844 2.460 1.00 0.00 N ATOM 896 CA ASP A 56 -0.170 -12.102 2.601 1.00 0.00 C ATOM 897 C ASP A 56 -0.946 -13.207 1.881 1.00 0.00 C ATOM 898 O ASP A 56 -2.101 -13.475 2.210 1.00 0.00 O ATOM 899 CB ASP A 56 -0.039 -12.498 4.074 1.00 0.00 C ATOM 900 CG ASP A 56 1.381 -12.428 4.637 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.828 -11.375 5.113 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.048 -13.531 4.575 1.00 0.00 O ATOM 0 H ASP A 56 -1.862 -10.937 2.185 1.00 0.00 H new ATOM 0 HA ASP A 56 0.824 -11.977 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.682 -11.848 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.413 -13.515 4.196 1.00 0.00 H new ATOM 908 N GLN A 57 -0.280 -13.819 0.913 1.00 0.00 N ATOM 909 CA GLN A 57 -0.892 -14.889 0.144 1.00 0.00 C ATOM 910 C GLN A 57 -0.733 -16.225 0.874 1.00 0.00 C ATOM 911 O GLN A 57 0.366 -16.578 1.296 1.00 0.00 O ATOM 912 CB GLN A 57 -0.300 -14.960 -1.266 1.00 0.00 C ATOM 913 CG GLN A 57 -1.147 -15.854 -2.172 1.00 0.00 C ATOM 914 CD GLN A 57 -0.289 -16.501 -3.260 1.00 0.00 C ATOM 915 OE1 GLN A 57 0.773 -16.020 -3.618 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.807 -17.616 -3.766 1.00 0.00 N ATOM 0 H GLN A 57 0.678 -13.594 0.644 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.956 -14.676 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.241 -13.958 -1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.718 -15.346 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.630 -16.628 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.940 -15.265 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.701 -17.965 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.310 -18.122 -4.499 1.00 0.00 H new ATOM 925 N ILE A 58 -1.848 -16.931 0.998 1.00 0.00 N ATOM 926 CA ILE A 58 -1.847 -18.219 1.668 1.00 0.00 C ATOM 927 C ILE A 58 -1.175 -19.258 0.767 1.00 0.00 C ATOM 928 O ILE A 58 -1.422 -19.291 -0.438 1.00 0.00 O ATOM 929 CB ILE A 58 -3.264 -18.602 2.098 1.00 0.00 C ATOM 930 CG1 ILE A 58 -3.979 -17.415 2.748 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.249 -19.831 3.009 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.764 -17.859 3.984 1.00 0.00 C ATOM 0 H ILE A 58 -2.758 -16.634 0.645 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.264 -18.169 2.587 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.830 -18.871 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.249 -16.656 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.656 -16.955 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.269 -20.081 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.807 -20.673 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.660 -19.616 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.263 -16.997 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.509 -18.600 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.080 -18.296 4.712 1.00 0.00 H new ATOM 944 N PHE A 59 -0.341 -20.081 1.385 1.00 0.00 N ATOM 945 CA PHE A 59 0.367 -21.117 0.653 1.00 0.00 C ATOM 946 C PHE A 59 -0.500 -22.368 0.499 1.00 0.00 C ATOM 947 O PHE A 59 -0.542 -22.969 -0.573 1.00 0.00 O ATOM 948 CB PHE A 59 1.611 -21.470 1.470 1.00 0.00 C ATOM 949 CG PHE A 59 2.457 -22.592 0.862 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.887 -22.497 -0.425 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.779 -23.682 1.609 1.00 0.00 C ATOM 952 CE1 PHE A 59 3.672 -23.539 -0.989 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.563 -24.723 1.044 1.00 0.00 C ATOM 954 CZ PHE A 59 3.993 -24.628 -0.243 1.00 0.00 C ATOM 0 H PHE A 59 -0.140 -20.051 2.384 1.00 0.00 H new ATOM 0 HA PHE A 59 0.623 -20.760 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.229 -20.579 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.303 -21.764 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.632 -21.631 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.439 -23.756 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.013 -23.465 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.818 -25.590 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.590 -25.419 -0.672 1.00 0.00 H new ATOM 964 N GLY A 60 -1.169 -22.723 1.585 1.00 0.00 N ATOM 965 CA GLY A 60 -2.033 -23.892 1.584 1.00 0.00 C ATOM 966 C GLY A 60 -2.852 -23.967 0.293 1.00 0.00 C ATOM 967 O GLY A 60 -2.662 -24.876 -0.514 1.00 0.00 O ATOM 0 H GLY A 60 -1.131 -22.222 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.430 -24.794 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.703 -23.854 2.443 1.00 0.00 H new ATOM 971 N LYS A 61 -3.745 -23.000 0.140 1.00 0.00 N ATOM 972 CA LYS A 61 -4.592 -22.946 -1.038 1.00 0.00 C ATOM 973 C LYS A 61 -4.180 -21.753 -1.904 1.00 0.00 C ATOM 974 O LYS A 61 -2.997 -21.428 -1.996 1.00 0.00 O ATOM 975 CB LYS A 61 -6.068 -22.932 -0.637 1.00 0.00 C ATOM 976 CG LYS A 61 -6.419 -21.651 0.123 1.00 0.00 C ATOM 977 CD LYS A 61 -7.895 -21.637 0.523 1.00 0.00 C ATOM 978 CE LYS A 61 -8.065 -21.980 2.004 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.276 -21.329 2.552 1.00 0.00 N ATOM 0 H LYS A 61 -3.900 -22.249 0.812 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.458 -23.842 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.691 -23.013 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.288 -23.800 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.796 -21.571 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.199 -20.783 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.320 -20.654 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.447 -22.353 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.139 -23.061 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.187 -21.655 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.082 -20.989 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.541 -20.525 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.057 -22.015 2.578 1.00 0.00 H new ATOM 992 N LEU A 62 -5.179 -21.134 -2.517 1.00 0.00 N ATOM 993 CA LEU A 62 -4.934 -19.985 -3.371 1.00 0.00 C ATOM 994 C LEU A 62 -5.631 -18.757 -2.780 1.00 0.00 C ATOM 995 O LEU A 62 -6.261 -17.988 -3.503 1.00 0.00 O ATOM 996 CB LEU A 62 -5.347 -20.291 -4.812 1.00 0.00 C ATOM 997 CG LEU A 62 -4.751 -21.560 -5.425 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.784 -22.290 -6.285 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.475 -21.243 -6.208 1.00 0.00 C ATOM 0 H LEU A 62 -6.159 -21.407 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.868 -19.760 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.434 -20.369 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.067 -19.443 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.473 -22.233 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.335 -23.188 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.639 -22.568 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.115 -21.635 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.071 -22.162 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.705 -20.542 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.738 -20.799 -5.539 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.495 -18.613 -1.470 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.104 -17.493 -0.773 1.00 0.00 C ATOM 1013 C GLU A 63 -5.036 -16.469 -0.380 1.00 0.00 C ATOM 1014 O GLU A 63 -3.841 -16.739 -0.492 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.884 -17.969 0.454 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.107 -17.084 0.703 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.404 -17.871 0.502 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -10.283 -17.433 -0.255 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.479 -18.975 1.163 1.00 0.00 O ATOM 0 H GLU A 63 -4.972 -19.253 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.812 -17.011 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.201 -19.002 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.235 -17.954 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.072 -16.687 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.087 -16.230 0.025 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.506 -15.315 0.071 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.608 -14.250 0.480 1.00 0.00 C ATOM 1029 C ALA A 64 -5.353 -13.290 1.410 1.00 0.00 C ATOM 1030 O ALA A 64 -6.480 -12.891 1.123 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.051 -13.547 -0.759 1.00 0.00 C ATOM 0 H ALA A 64 -6.498 -15.095 0.162 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.760 -14.654 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.377 -12.748 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.506 -14.266 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.873 -13.126 -1.339 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.692 -12.945 2.506 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.277 -12.040 3.480 1.00 0.00 C ATOM 1039 C GLU A 65 -4.459 -10.749 3.562 1.00 0.00 C ATOM 1040 O GLU A 65 -3.231 -10.782 3.501 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.388 -12.706 4.851 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.278 -11.887 5.788 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.678 -11.820 7.195 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -4.866 -10.927 7.481 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.084 -12.738 8.005 1.00 0.00 O ATOM 0 H GLU A 65 -3.756 -13.277 2.741 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.286 -11.789 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.798 -13.710 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.395 -12.814 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.399 -10.879 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.272 -12.333 5.833 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.174 -9.641 3.699 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.530 -8.341 3.790 1.00 0.00 C ATOM 1055 C GLY A 66 -5.456 -7.316 4.447 1.00 0.00 C ATOM 1056 O GLY A 66 -6.668 -7.518 4.509 1.00 0.00 O ATOM 0 H GLY A 66 -6.192 -9.617 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.609 -8.427 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.251 -7.999 2.793 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.850 -6.237 4.920 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.604 -5.180 5.570 1.00 0.00 C ATOM 1062 C TYR A 67 -5.546 -3.885 4.757 1.00 0.00 C ATOM 1063 O TYR A 67 -4.474 -3.473 4.314 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.928 -4.949 6.923 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.873 -4.435 8.012 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.642 -3.312 7.784 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.956 -5.094 9.221 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.531 -2.828 8.807 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.845 -4.610 10.245 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.589 -3.501 9.988 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.429 -3.044 10.956 1.00 0.00 O ATOM 0 H TYR A 67 -3.845 -6.072 4.866 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.652 -5.463 5.669 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.479 -5.884 7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.116 -4.234 6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.577 -2.796 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.354 -5.973 9.399 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.138 -1.950 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.919 -5.116 11.196 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.366 -3.624 11.744 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.710 -3.277 4.587 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.805 -2.037 3.835 1.00 0.00 C ATOM 1083 C ALA A 68 -6.996 -0.870 4.806 1.00 0.00 C ATOM 1084 O ALA A 68 -7.762 -0.974 5.763 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.943 -2.141 2.818 1.00 0.00 C ATOM 0 H ALA A 68 -7.596 -3.620 4.957 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.886 -1.856 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.014 -1.211 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.745 -2.966 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.883 -2.321 3.340 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.286 0.213 4.526 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.367 1.398 5.363 1.00 0.00 C ATOM 1093 C LYS A 69 -6.564 2.630 4.478 1.00 0.00 C ATOM 1094 O LYS A 69 -6.035 2.693 3.369 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.147 1.490 6.283 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.203 2.754 7.142 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.422 3.896 6.489 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.943 3.841 6.876 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.591 4.987 7.744 1.00 0.00 N ATOM 0 H LYS A 69 -5.652 0.295 3.731 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.232 1.338 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.105 0.611 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.236 1.492 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.241 3.054 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.791 2.545 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.520 3.835 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.846 4.853 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.731 2.906 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.325 3.854 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.644 4.839 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.595 5.862 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.286 5.066 8.513 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.326 3.579 5.001 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.599 4.806 4.271 1.00 0.00 C ATOM 1114 C ILE A 70 -7.356 6.005 5.190 1.00 0.00 C ATOM 1115 O ILE A 70 -7.746 5.987 6.356 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.004 4.768 3.668 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.124 3.654 2.627 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.392 6.134 3.095 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.562 3.140 2.537 1.00 0.00 C ATOM 0 H ILE A 70 -7.763 3.524 5.921 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.917 4.908 3.427 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.712 4.541 4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.805 4.026 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.456 2.833 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.395 6.080 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.373 6.880 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.685 6.416 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.619 2.349 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.869 2.747 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.223 3.958 2.251 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.714 7.019 4.629 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.414 8.224 5.383 1.00 0.00 C ATOM 1133 C TYR A 71 -7.489 9.291 5.162 1.00 0.00 C ATOM 1134 O TYR A 71 -8.474 9.049 4.467 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.080 8.741 4.840 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.027 7.650 4.635 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.099 7.394 5.623 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.006 6.923 3.463 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -2.107 6.368 5.431 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.015 5.897 3.270 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.115 5.669 4.263 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.179 4.700 4.081 1.00 0.00 O ATOM 0 H TYR A 71 -6.393 7.031 3.661 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.375 8.009 6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.257 9.244 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.685 9.489 5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.116 7.963 6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.733 7.124 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.374 6.158 6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.987 5.321 2.357 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.623 3.837 3.946 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.263 10.447 5.767 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.200 11.551 5.646 1.00 0.00 C ATOM 1154 C ASN A 72 -7.591 12.634 4.752 1.00 0.00 C ATOM 1155 O ASN A 72 -8.188 13.025 3.750 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.496 12.176 7.011 1.00 0.00 C ATOM 1157 CG ASN A 72 -9.995 12.144 7.315 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -10.668 13.160 7.357 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.479 10.922 7.523 1.00 0.00 N ATOM 0 H ASN A 72 -6.444 10.644 6.343 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.125 11.163 5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.952 11.637 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.140 13.206 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.469 10.794 7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.860 10.113 7.473 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.413 13.089 5.148 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.717 14.119 4.396 1.00 0.00 C ATOM 1168 C ASP A 73 -4.212 13.850 4.442 1.00 0.00 C ATOM 1169 O ASP A 73 -3.631 13.727 5.520 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.968 15.505 4.997 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.706 15.504 6.336 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.941 15.392 6.385 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.952 15.627 7.376 1.00 0.00 O ATOM 0 H ASP A 73 -5.922 12.763 5.981 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.089 14.097 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.009 16.007 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.542 16.096 4.283 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.621 13.767 3.259 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.194 13.514 3.150 1.00 0.00 C ATOM 1181 C GLU A 74 -1.414 14.488 4.035 1.00 0.00 C ATOM 1182 O GLU A 74 -0.273 14.218 4.405 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.731 13.603 1.695 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.522 12.639 0.808 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.539 13.393 -0.051 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -4.223 14.298 0.450 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.604 13.010 -1.281 1.00 0.00 O ATOM 0 H GLU A 74 -4.105 13.871 2.367 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.996 12.500 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.856 14.623 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.668 13.371 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.837 12.086 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.037 11.907 1.430 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.060 15.602 4.346 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.441 16.618 5.180 1.00 0.00 C ATOM 1197 C LYS A 75 -1.018 15.992 6.510 1.00 0.00 C ATOM 1198 O LYS A 75 0.125 16.148 6.937 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.372 17.823 5.336 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.447 18.630 4.039 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.506 19.836 4.087 1.00 0.00 C ATOM 1202 CE LYS A 75 -0.045 19.397 3.983 1.00 0.00 C ATOM 1203 NZ LYS A 75 0.760 20.430 3.294 1.00 0.00 N ATOM 0 H LYS A 75 -3.006 15.823 4.035 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.537 17.001 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.369 17.483 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.015 18.460 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.184 17.993 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.470 18.969 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.743 20.519 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.659 20.384 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.359 19.218 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.020 18.455 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.749 20.115 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.384 20.581 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.713 21.321 3.829 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.961 15.296 7.127 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.699 14.645 8.400 1.00 0.00 C ATOM 1218 C ALA A 76 -0.873 13.381 8.160 1.00 0.00 C ATOM 1219 O ALA A 76 0.177 13.196 8.773 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.026 14.351 9.104 1.00 0.00 C ATOM 0 H ALA A 76 -2.908 15.168 6.769 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.120 15.297 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.831 13.863 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.561 15.285 9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.632 13.696 8.479 1.00 0.00 H new ATOM 1226 N MET A 77 -1.378 12.541 7.268 1.00 0.00 N ATOM 1227 CA MET A 77 -0.700 11.299 6.940 1.00 0.00 C ATOM 1228 C MET A 77 0.775 11.548 6.617 1.00 0.00 C ATOM 1229 O MET A 77 1.657 10.924 7.205 1.00 0.00 O ATOM 1230 CB MET A 77 -1.383 10.646 5.737 1.00 0.00 C ATOM 1231 CG MET A 77 -0.360 9.955 4.834 1.00 0.00 C ATOM 1232 SD MET A 77 -1.193 9.111 3.500 1.00 0.00 S ATOM 1233 CE MET A 77 -0.161 9.601 2.130 1.00 0.00 C ATOM 0 H MET A 77 -2.250 12.697 6.762 1.00 0.00 H new ATOM 0 HA MET A 77 -0.757 10.637 7.804 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.118 9.919 6.082 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.924 11.401 5.167 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.337 10.690 4.431 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.228 9.244 5.414 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.036 8.737 1.495 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.669 10.370 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.782 9.996 2.508 1.00 0.00 H new ATOM 1243 N ALA A 78 0.997 12.462 5.684 1.00 0.00 N ATOM 1244 CA ALA A 78 2.349 12.801 5.275 1.00 0.00 C ATOM 1245 C ALA A 78 3.219 13.000 6.519 1.00 0.00 C ATOM 1246 O ALA A 78 4.433 12.819 6.467 1.00 0.00 O ATOM 1247 CB ALA A 78 2.317 14.043 4.383 1.00 0.00 C ATOM 0 H ALA A 78 0.263 12.978 5.200 1.00 0.00 H new ATOM 0 HA ALA A 78 2.787 11.991 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.332 14.297 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.711 13.841 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.886 14.877 4.936 1.00 0.00 H new ATOM 1253 N THR A 79 2.560 13.371 7.608 1.00 0.00 N ATOM 1254 CA THR A 79 3.257 13.596 8.862 1.00 0.00 C ATOM 1255 C THR A 79 3.112 12.380 9.780 1.00 0.00 C ATOM 1256 O THR A 79 4.089 11.685 10.056 1.00 0.00 O ATOM 1257 CB THR A 79 2.717 14.889 9.478 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.300 15.920 8.686 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.266 15.143 10.884 1.00 0.00 C ATOM 0 H THR A 79 1.552 13.521 7.647 1.00 0.00 H new ATOM 0 HA THR A 79 4.328 13.717 8.702 1.00 0.00 H new ATOM 0 HB THR A 79 1.629 14.845 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.002 16.794 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.851 16.072 11.274 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.986 14.318 11.539 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.352 15.220 10.842 1.00 0.00 H new ATOM 1267 N ILE A 80 1.884 12.160 10.228 1.00 0.00 N ATOM 1268 CA ILE A 80 1.599 11.039 11.107 1.00 0.00 C ATOM 1269 C ILE A 80 2.234 9.771 10.534 1.00 0.00 C ATOM 1270 O ILE A 80 3.097 9.164 11.167 1.00 0.00 O ATOM 1271 CB ILE A 80 0.093 10.918 11.348 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.424 12.088 12.186 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.255 9.566 11.975 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -1.948 12.035 12.323 1.00 0.00 C ATOM 0 H ILE A 80 1.076 12.739 9.999 1.00 0.00 H new ATOM 0 HA ILE A 80 2.044 11.202 12.088 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.412 10.965 10.383 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.034 12.062 13.175 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.130 13.030 11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.331 9.506 12.136 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.057 8.764 11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.261 9.464 12.930 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.289 12.878 12.924 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.404 12.086 11.334 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.237 11.103 12.809 1.00 0.00 H new ATOM 1286 N GLU A 81 1.783 9.409 9.342 1.00 0.00 N ATOM 1287 CA GLU A 81 2.297 8.223 8.676 1.00 0.00 C ATOM 1288 C GLU A 81 3.825 8.201 8.737 1.00 0.00 C ATOM 1289 O GLU A 81 4.445 9.155 9.203 1.00 0.00 O ATOM 1290 CB GLU A 81 1.804 8.150 7.229 1.00 0.00 C ATOM 1291 CG GLU A 81 2.777 8.855 6.282 1.00 0.00 C ATOM 1292 CD GLU A 81 3.799 7.869 5.713 1.00 0.00 C ATOM 1293 OE1 GLU A 81 3.423 6.771 5.276 1.00 0.00 O ATOM 1294 OE2 GLU A 81 5.022 8.278 5.734 1.00 0.00 O ATOM 0 H GLU A 81 1.068 9.915 8.820 1.00 0.00 H new ATOM 0 HA GLU A 81 1.920 7.344 9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.692 7.107 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.819 8.610 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.223 9.321 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.294 9.654 6.814 1.00 0.00 H new ATOM 1302 N THR A 82 4.388 7.101 8.259 1.00 0.00 N ATOM 1303 CA THR A 82 5.832 6.942 8.252 1.00 0.00 C ATOM 1304 C THR A 82 6.304 6.403 6.900 1.00 0.00 C ATOM 1305 O THR A 82 5.496 5.939 6.097 1.00 0.00 O ATOM 1306 CB THR A 82 6.214 6.044 9.430 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.392 4.891 9.269 1.00 0.00 O ATOM 1308 CG2 THR A 82 5.779 6.628 10.776 1.00 0.00 C ATOM 0 H THR A 82 3.870 6.311 7.874 1.00 0.00 H new ATOM 0 HA THR A 82 6.335 7.901 8.378 1.00 0.00 H new ATOM 0 HB THR A 82 7.293 5.889 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.576 4.254 9.991 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.074 5.952 11.578 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.256 7.597 10.924 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.696 6.752 10.786 1.00 0.00 H new ATOM 1316 N LYS A 83 7.609 6.484 6.689 1.00 0.00 N ATOM 1317 CA LYS A 83 8.198 6.011 5.448 1.00 0.00 C ATOM 1318 C LYS A 83 7.838 4.537 5.248 1.00 0.00 C ATOM 1319 O LYS A 83 7.943 4.014 4.139 1.00 0.00 O ATOM 1320 CB LYS A 83 9.703 6.283 5.430 1.00 0.00 C ATOM 1321 CG LYS A 83 10.413 5.513 6.546 1.00 0.00 C ATOM 1322 CD LYS A 83 10.680 4.065 6.130 1.00 0.00 C ATOM 1323 CE LYS A 83 12.181 3.798 6.008 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.423 2.476 5.387 1.00 0.00 N ATOM 0 H LYS A 83 8.276 6.870 7.357 1.00 0.00 H new ATOM 0 HA LYS A 83 7.789 6.559 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.117 5.994 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.885 7.351 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.355 6.005 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.803 5.529 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.245 3.386 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.192 3.861 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.648 4.579 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.644 3.834 6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.447 2.310 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.994 1.733 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.998 2.455 4.438 1.00 0.00 H new ATOM 1337 N SER A 84 7.420 3.909 6.337 1.00 0.00 N ATOM 1338 CA SER A 84 7.044 2.506 6.295 1.00 0.00 C ATOM 1339 C SER A 84 5.648 2.358 5.684 1.00 0.00 C ATOM 1340 O SER A 84 5.401 1.434 4.910 1.00 0.00 O ATOM 1341 CB SER A 84 7.081 1.884 7.692 1.00 0.00 C ATOM 1342 OG SER A 84 7.687 0.594 7.684 1.00 0.00 O ATOM 0 H SER A 84 7.333 4.346 7.254 1.00 0.00 H new ATOM 0 HA SER A 84 7.765 1.976 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.632 2.539 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.066 1.806 8.081 1.00 0.00 H new ATOM 0 HG SER A 84 7.694 0.230 8.594 1.00 0.00 H new ATOM 1348 N VAL A 85 4.774 3.280 6.055 1.00 0.00 N ATOM 1349 CA VAL A 85 3.410 3.262 5.554 1.00 0.00 C ATOM 1350 C VAL A 85 3.412 3.626 4.068 1.00 0.00 C ATOM 1351 O VAL A 85 3.104 2.790 3.220 1.00 0.00 O ATOM 1352 CB VAL A 85 2.531 4.191 6.395 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.272 4.598 5.627 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.171 3.542 7.733 1.00 0.00 C ATOM 0 H VAL A 85 4.983 4.045 6.697 1.00 0.00 H new ATOM 0 HA VAL A 85 2.984 2.263 5.644 1.00 0.00 H new ATOM 0 HB VAL A 85 3.103 5.095 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.665 5.258 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.556 5.119 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.697 3.708 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.546 4.223 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.627 2.615 7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.083 3.326 8.289 1.00 0.00 H new ATOM 1364 N LEU A 86 3.766 4.874 3.797 1.00 0.00 N ATOM 1365 CA LEU A 86 3.813 5.359 2.428 1.00 0.00 C ATOM 1366 C LEU A 86 4.587 4.360 1.565 1.00 0.00 C ATOM 1367 O LEU A 86 4.353 4.264 0.361 1.00 0.00 O ATOM 1368 CB LEU A 86 4.379 6.779 2.382 1.00 0.00 C ATOM 1369 CG LEU A 86 3.349 7.910 2.348 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.000 7.441 2.895 1.00 0.00 C ATOM 1371 CD2 LEU A 86 3.868 9.147 3.086 1.00 0.00 C ATOM 0 H LEU A 86 4.023 5.564 4.503 1.00 0.00 H new ATOM 0 HA LEU A 86 2.807 5.428 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.018 6.923 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.015 6.867 1.501 1.00 0.00 H new ATOM 0 HG LEU A 86 3.192 8.197 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.287 8.264 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.630 6.614 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.121 7.110 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.117 9.936 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.072 8.891 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.785 9.496 2.611 1.00 0.00 H new ATOM 1383 N GLU A 87 5.492 3.643 2.214 1.00 0.00 N ATOM 1384 CA GLU A 87 6.301 2.655 1.521 1.00 0.00 C ATOM 1385 C GLU A 87 5.407 1.684 0.747 1.00 0.00 C ATOM 1386 O GLU A 87 5.664 1.393 -0.420 1.00 0.00 O ATOM 1387 CB GLU A 87 7.207 1.904 2.499 1.00 0.00 C ATOM 1388 CG GLU A 87 8.676 2.269 2.274 1.00 0.00 C ATOM 1389 CD GLU A 87 9.405 1.161 1.510 1.00 0.00 C ATOM 1390 OE1 GLU A 87 8.802 0.500 0.652 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.643 0.997 1.837 1.00 0.00 O ATOM 0 H GLU A 87 5.683 3.726 3.212 1.00 0.00 H new ATOM 0 HA GLU A 87 6.942 3.175 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.921 2.144 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.072 0.830 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.741 3.204 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.164 2.436 3.234 1.00 0.00 H new ATOM 1399 N LYS A 88 4.374 1.210 1.428 1.00 0.00 N ATOM 1400 CA LYS A 88 3.439 0.279 0.819 1.00 0.00 C ATOM 1401 C LYS A 88 2.979 0.834 -0.531 1.00 0.00 C ATOM 1402 O LYS A 88 3.335 0.297 -1.580 1.00 0.00 O ATOM 1403 CB LYS A 88 2.290 -0.032 1.780 1.00 0.00 C ATOM 1404 CG LYS A 88 2.796 -0.777 3.017 1.00 0.00 C ATOM 1405 CD LYS A 88 2.657 0.088 4.271 1.00 0.00 C ATOM 1406 CE LYS A 88 1.247 0.670 4.383 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.888 0.890 5.802 1.00 0.00 N ATOM 0 H LYS A 88 4.164 1.453 2.396 1.00 0.00 H new ATOM 0 HA LYS A 88 3.926 -0.676 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.804 0.895 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.538 -0.635 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.234 -1.702 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.840 -1.056 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.879 -0.509 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.387 0.897 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.192 1.612 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.530 -0.008 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.401 1.804 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.259 0.126 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.751 0.895 6.382 1.00 0.00 H new ATOM 1420 N ASN A 89 2.197 1.900 -0.461 1.00 0.00 N ATOM 1421 CA ASN A 89 1.685 2.533 -1.664 1.00 0.00 C ATOM 1422 C ASN A 89 2.784 2.558 -2.730 1.00 0.00 C ATOM 1423 O ASN A 89 3.761 3.293 -2.601 1.00 0.00 O ATOM 1424 CB ASN A 89 1.261 3.977 -1.390 1.00 0.00 C ATOM 1425 CG ASN A 89 0.396 4.520 -2.529 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.545 4.155 -3.684 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.512 5.411 -2.141 1.00 0.00 N ATOM 0 H ASN A 89 1.905 2.342 0.411 1.00 0.00 H new ATOM 0 HA ASN A 89 0.821 1.961 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.707 4.025 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.145 4.603 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -1.137 5.834 -2.827 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -0.583 5.672 -1.157 1.00 0.00 H new ATOM 1434 N LYS A 90 2.586 1.745 -3.757 1.00 0.00 N ATOM 1435 CA LYS A 90 3.548 1.665 -4.843 1.00 0.00 C ATOM 1436 C LYS A 90 4.057 3.068 -5.172 1.00 0.00 C ATOM 1437 O LYS A 90 3.405 4.061 -4.850 1.00 0.00 O ATOM 1438 CB LYS A 90 2.941 0.932 -6.042 1.00 0.00 C ATOM 1439 CG LYS A 90 3.746 -0.324 -6.381 1.00 0.00 C ATOM 1440 CD LYS A 90 2.875 -1.352 -7.107 1.00 0.00 C ATOM 1441 CE LYS A 90 2.535 -0.881 -8.523 1.00 0.00 C ATOM 1442 NZ LYS A 90 2.271 -2.040 -9.404 1.00 0.00 N ATOM 0 H LYS A 90 1.774 1.136 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 90 4.414 1.075 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.909 0.659 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.917 1.597 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.598 -0.057 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.147 -0.762 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.397 -2.308 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.956 -1.517 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.661 -0.230 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.359 -0.292 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.042 -1.704 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.115 -2.646 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.470 -2.586 -9.028 1.00 0.00 H new ATOM 1455 N ILE A 91 5.217 3.109 -5.810 1.00 0.00 N ATOM 1456 CA ILE A 91 5.822 4.375 -6.187 1.00 0.00 C ATOM 1457 C ILE A 91 4.734 5.320 -6.703 1.00 0.00 C ATOM 1458 O ILE A 91 4.208 6.136 -5.948 1.00 0.00 O ATOM 1459 CB ILE A 91 6.963 4.150 -7.181 1.00 0.00 C ATOM 1460 CG1 ILE A 91 8.090 3.333 -6.546 1.00 0.00 C ATOM 1461 CG2 ILE A 91 7.467 5.479 -7.748 1.00 0.00 C ATOM 1462 CD1 ILE A 91 8.374 2.066 -7.355 1.00 0.00 C ATOM 0 H ILE A 91 5.755 2.284 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 91 6.277 4.853 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 91 6.577 3.569 -8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.994 3.940 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.818 3.063 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.278 5.290 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.652 5.988 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.831 6.107 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.179 1.505 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.476 1.450 -7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.670 2.340 -8.368 1.00 0.00 H new ATOM 1474 N GLU A 92 4.432 5.178 -7.985 1.00 0.00 N ATOM 1475 CA GLU A 92 3.417 6.010 -8.609 1.00 0.00 C ATOM 1476 C GLU A 92 3.822 7.483 -8.543 1.00 0.00 C ATOM 1477 O GLU A 92 4.500 7.902 -7.606 1.00 0.00 O ATOM 1478 CB GLU A 92 2.049 5.787 -7.960 1.00 0.00 C ATOM 1479 CG GLU A 92 0.928 6.353 -8.834 1.00 0.00 C ATOM 1480 CD GLU A 92 -0.058 5.256 -9.239 1.00 0.00 C ATOM 1481 OE1 GLU A 92 -1.024 4.990 -8.507 1.00 0.00 O ATOM 1482 OE2 GLU A 92 0.204 4.672 -10.358 1.00 0.00 O ATOM 0 H GLU A 92 4.871 4.500 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 92 3.336 5.723 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.888 4.721 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.026 6.263 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.401 7.139 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.354 6.812 -9.726 1.00 0.00 H new ATOM 1490 N GLU A 93 3.389 8.230 -9.549 1.00 0.00 N ATOM 1491 CA GLU A 93 3.699 9.648 -9.616 1.00 0.00 C ATOM 1492 C GLU A 93 2.472 10.478 -9.234 1.00 0.00 C ATOM 1493 O GLU A 93 1.414 9.926 -8.934 1.00 0.00 O ATOM 1494 CB GLU A 93 4.210 10.032 -11.005 1.00 0.00 C ATOM 1495 CG GLU A 93 3.162 9.729 -12.079 1.00 0.00 C ATOM 1496 CD GLU A 93 3.267 10.717 -13.242 1.00 0.00 C ATOM 1497 OE1 GLU A 93 4.268 10.709 -13.974 1.00 0.00 O ATOM 1498 OE2 GLU A 93 2.262 11.514 -13.373 1.00 0.00 O ATOM 0 H GLU A 93 2.826 7.879 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 93 4.494 9.861 -8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.459 11.093 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.127 9.485 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.297 8.712 -12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.164 9.780 -11.643 1.00 0.00 H new ATOM 1506 N GLU A 94 2.654 11.790 -9.258 1.00 0.00 N ATOM 1507 CA GLU A 94 1.575 12.701 -8.918 1.00 0.00 C ATOM 1508 C GLU A 94 0.777 13.070 -10.171 1.00 0.00 C ATOM 1509 O GLU A 94 0.864 12.386 -11.189 1.00 0.00 O ATOM 1510 CB GLU A 94 2.112 13.952 -8.222 1.00 0.00 C ATOM 1511 CG GLU A 94 2.907 14.823 -9.197 1.00 0.00 C ATOM 1512 CD GLU A 94 3.581 15.987 -8.467 1.00 0.00 C ATOM 1513 OE1 GLU A 94 2.923 16.993 -8.163 1.00 0.00 O ATOM 1514 OE2 GLU A 94 4.835 15.820 -8.216 1.00 0.00 O ATOM 0 H GLU A 94 3.533 12.244 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 94 0.906 12.197 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.283 14.526 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.748 13.662 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.662 14.218 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.243 15.209 -9.970 1.00 0.00 H new ATOM 1522 N ALA A 95 0.018 14.150 -10.053 1.00 0.00 N ATOM 1523 CA ALA A 95 -0.794 14.618 -11.164 1.00 0.00 C ATOM 1524 C ALA A 95 -1.729 15.725 -10.674 1.00 0.00 C ATOM 1525 O ALA A 95 -2.944 15.538 -10.621 1.00 0.00 O ATOM 1526 CB ALA A 95 -1.554 13.438 -11.773 1.00 0.00 C ATOM 0 H ALA A 95 -0.052 14.714 -9.206 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.166 15.040 -11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.163 13.789 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.843 12.693 -12.131 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.198 12.990 -11.016 1.00 0.00 H new ATOM 1532 N GLU A 96 -1.129 16.854 -10.329 1.00 0.00 N ATOM 1533 CA GLU A 96 -1.894 17.991 -9.846 1.00 0.00 C ATOM 1534 C GLU A 96 -2.935 18.411 -10.885 1.00 0.00 C ATOM 1535 O GLU A 96 -4.136 18.316 -10.639 1.00 0.00 O ATOM 1536 CB GLU A 96 -0.972 19.160 -9.489 1.00 0.00 C ATOM 1537 CG GLU A 96 -0.035 18.788 -8.339 1.00 0.00 C ATOM 1538 CD GLU A 96 0.836 19.979 -7.935 1.00 0.00 C ATOM 1539 OE1 GLU A 96 0.770 20.433 -6.783 1.00 0.00 O ATOM 1540 OE2 GLU A 96 1.604 20.434 -8.866 1.00 0.00 O ATOM 0 H GLU A 96 -0.121 17.006 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.417 17.693 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.386 19.445 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.570 20.027 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.620 18.453 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.599 17.953 -8.637 1.00 0.00 H new ATOM 1548 N ALA A 97 -2.436 18.867 -12.025 1.00 0.00 N ATOM 1549 CA ALA A 97 -3.309 19.301 -13.103 1.00 0.00 C ATOM 1550 C ALA A 97 -2.477 19.528 -14.367 1.00 0.00 C ATOM 1551 O ALA A 97 -1.249 19.584 -14.304 1.00 0.00 O ATOM 1552 CB ALA A 97 -4.067 20.558 -12.671 1.00 0.00 C ATOM 0 H ALA A 97 -1.439 18.945 -12.225 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.050 18.534 -13.329 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.722 20.884 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.665 20.337 -11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.355 21.350 -12.439 1.00 0.00 H new ATOM 1558 N GLU A 98 -3.177 19.653 -15.484 1.00 0.00 N ATOM 1559 CA GLU A 98 -2.519 19.872 -16.761 1.00 0.00 C ATOM 1560 C GLU A 98 -1.352 20.848 -16.595 1.00 0.00 C ATOM 1561 O GLU A 98 -0.231 20.555 -17.006 1.00 0.00 O ATOM 1562 CB GLU A 98 -3.511 20.377 -17.810 1.00 0.00 C ATOM 1563 CG GLU A 98 -2.955 20.192 -19.223 1.00 0.00 C ATOM 1564 CD GLU A 98 -3.086 21.482 -20.037 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -4.140 22.134 -19.997 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -2.045 21.799 -20.727 1.00 0.00 O ATOM 0 H GLU A 98 -4.195 19.607 -15.532 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.124 18.919 -17.113 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.454 19.839 -17.713 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.726 21.431 -17.635 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.907 19.896 -19.170 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.489 19.385 -19.725 1.00 0.00 H new ATOM 1574 N VAL A 99 -1.657 21.988 -15.992 1.00 0.00 N ATOM 1575 CA VAL A 99 -0.647 23.008 -15.767 1.00 0.00 C ATOM 1576 C VAL A 99 -0.380 23.133 -14.266 1.00 0.00 C ATOM 1577 O VAL A 99 -1.200 22.717 -13.449 1.00 0.00 O ATOM 1578 CB VAL A 99 -1.085 24.327 -16.408 1.00 0.00 C ATOM 1579 CG1 VAL A 99 -1.311 24.157 -17.912 1.00 0.00 C ATOM 1580 CG2 VAL A 99 -2.335 24.881 -15.724 1.00 0.00 C ATOM 0 H VAL A 99 -2.589 22.228 -15.653 1.00 0.00 H new ATOM 0 HA VAL A 99 0.293 22.727 -16.242 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.281 25.050 -16.270 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.621 25.109 -18.343 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.385 23.830 -18.384 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.088 23.411 -18.081 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.624 25.818 -16.199 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.149 24.162 -15.815 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.124 25.059 -14.669 1.00 0.00 H new ATOM 1590 N ALA A 100 0.770 23.709 -13.948 1.00 0.00 N ATOM 1591 CA ALA A 100 1.155 23.894 -12.559 1.00 0.00 C ATOM 1592 C ALA A 100 2.476 24.665 -12.499 1.00 0.00 C ATOM 1593 O ALA A 100 3.062 24.981 -13.533 1.00 0.00 O ATOM 1594 CB ALA A 100 1.243 22.532 -11.867 1.00 0.00 C ATOM 0 H ALA A 100 1.448 24.054 -14.628 1.00 0.00 H new ATOM 0 HA ALA A 100 0.406 24.481 -12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.532 22.671 -10.825 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.272 22.038 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.988 21.915 -12.371 1.00 0.00 H new ATOM 1600 N GLU A 101 2.905 24.946 -11.276 1.00 0.00 N ATOM 1601 CA GLU A 101 4.145 25.673 -11.069 1.00 0.00 C ATOM 1602 C GLU A 101 4.743 25.323 -9.704 1.00 0.00 C ATOM 1603 O GLU A 101 4.045 24.811 -8.830 1.00 0.00 O ATOM 1604 CB GLU A 101 3.924 27.182 -11.200 1.00 0.00 C ATOM 1605 CG GLU A 101 5.256 27.922 -11.327 1.00 0.00 C ATOM 1606 CD GLU A 101 5.082 29.240 -12.086 1.00 0.00 C ATOM 1607 OE1 GLU A 101 4.545 30.209 -11.530 1.00 0.00 O ATOM 1608 OE2 GLU A 101 5.528 29.234 -13.297 1.00 0.00 O ATOM 0 H GLU A 101 2.416 24.683 -10.420 1.00 0.00 H new ATOM 0 HA GLU A 101 4.853 25.374 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.305 27.388 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.381 27.550 -10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.662 28.120 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.978 27.292 -11.846 1.00 0.00 H new ATOM 1616 N GLU A 102 6.028 25.615 -9.564 1.00 0.00 N ATOM 1617 CA GLU A 102 6.728 25.337 -8.322 1.00 0.00 C ATOM 1618 C GLU A 102 6.299 23.978 -7.763 1.00 0.00 C ATOM 1619 O GLU A 102 5.432 23.906 -6.894 1.00 0.00 O ATOM 1620 CB GLU A 102 6.490 26.450 -7.299 1.00 0.00 C ATOM 1621 CG GLU A 102 7.676 27.415 -7.252 1.00 0.00 C ATOM 1622 CD GLU A 102 8.156 27.625 -5.815 1.00 0.00 C ATOM 1623 OE1 GLU A 102 7.489 28.320 -5.035 1.00 0.00 O ATOM 1624 OE2 GLU A 102 9.265 27.035 -5.519 1.00 0.00 O ATOM 0 H GLU A 102 6.603 26.042 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 102 7.797 25.301 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.582 26.996 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.332 26.014 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.493 27.023 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.388 28.372 -7.686 1.00 0.00 H new TER 1632 GLU A 102