USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 721 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 18 GLN :FLIP amide:sc= -3.59 F(o=-5.2!,f=-3.6) USER MOD Set 1.2: A 22 MET CE :methyl -160:sc= -0.0133 (180deg=0) USER MOD Set 2.1: A 8 MET CE :methyl -149:sc= 0 (180deg=0) USER MOD Set 2.2: A 9 ASN : amide:sc= -0.921 K(o=-0.92,f=-1.7) USER MOD Single : A 1 SER N :NH3+ 153:sc= 0.0797 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc=-0.00392 (180deg=-0.0858) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.901) USER MOD Single : A 24 GLN :FLIP amide:sc=-0.00955 F(o=-1.4!,f=-0.0096) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.281 F(o=-1,f=-0.28) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc=-0.00464 (180deg=-0.146) USER MOD Single : A 29 MET CE :methyl 150:sc= -0.341 (180deg=-1.55!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.00086 X(o=0.00086,f=-0.28) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -7:sc= 1.27 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0966) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 1.15 (180deg=1.08) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc=-0.00098 (180deg=-0.0822) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 138:sc= -0.457 (180deg=-1.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0509 (180deg=-0.324) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= -0.0251 (180deg=-0.155) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 80 LYS NZ :NH3+ -134:sc= -1.77! (180deg=-4.46!) USER MOD Single : A 81 THR OG1 : rot 66:sc= 0.071 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.641 -1.928 -14.673 1.00 0.00 N ATOM 2 CA SER A 1 3.732 -0.777 -13.752 1.00 0.00 C ATOM 3 C SER A 1 2.372 -0.471 -13.135 1.00 0.00 C ATOM 4 O SER A 1 1.474 0.010 -13.823 1.00 0.00 O ATOM 5 CB SER A 1 4.244 0.448 -14.514 1.00 0.00 C ATOM 6 OG SER A 1 5.390 0.125 -15.290 1.00 0.00 O ATOM 0 H1 SER A 1 4.383 -1.852 -15.398 1.00 0.00 H new ATOM 0 H2 SER A 1 3.769 -2.811 -14.139 1.00 0.00 H new ATOM 0 H3 SER A 1 2.708 -1.933 -15.132 1.00 0.00 H new ATOM 0 HA SER A 1 4.426 -1.025 -12.949 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.457 0.831 -15.164 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.490 1.242 -13.809 1.00 0.00 H new ATOM 0 HG SER A 1 5.697 0.923 -15.768 1.00 0.00 H new ATOM 14 N ASP A 2 2.234 -0.769 -11.838 1.00 0.00 N ATOM 15 CA ASP A 2 1.013 -0.477 -11.080 1.00 0.00 C ATOM 16 C ASP A 2 -0.213 -1.186 -11.642 1.00 0.00 C ATOM 17 O ASP A 2 -0.768 -0.786 -12.666 1.00 0.00 O ATOM 18 CB ASP A 2 0.740 1.030 -11.024 1.00 0.00 C ATOM 19 CG ASP A 2 1.670 1.765 -10.085 1.00 0.00 C ATOM 20 OD1 ASP A 2 1.377 1.813 -8.868 1.00 0.00 O ATOM 21 OD2 ASP A 2 2.698 2.300 -10.553 1.00 0.00 O ATOM 0 H ASP A 2 2.964 -1.218 -11.286 1.00 0.00 H new ATOM 0 HA ASP A 2 1.191 -0.855 -10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.838 1.449 -12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.290 1.195 -10.709 1.00 0.00 H new ATOM 26 N ARG A 3 -0.644 -2.241 -10.972 1.00 0.00 N ATOM 27 CA ARG A 3 -1.915 -2.855 -11.314 1.00 0.00 C ATOM 28 C ARG A 3 -3.032 -2.079 -10.635 1.00 0.00 C ATOM 29 O ARG A 3 -3.065 -1.968 -9.409 1.00 0.00 O ATOM 30 CB ARG A 3 -1.960 -4.324 -10.887 1.00 0.00 C ATOM 31 CG ARG A 3 -1.177 -5.259 -11.794 1.00 0.00 C ATOM 32 CD ARG A 3 -1.439 -6.714 -11.431 1.00 0.00 C ATOM 33 NE ARG A 3 -0.873 -7.647 -12.404 1.00 0.00 N ATOM 34 CZ ARG A 3 -1.613 -8.421 -13.199 1.00 0.00 C ATOM 35 NH1 ARG A 3 -2.939 -8.311 -13.194 1.00 0.00 N ATOM 36 NH2 ARG A 3 -1.034 -9.291 -14.012 1.00 0.00 N ATOM 0 H ARG A 3 -0.143 -2.684 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.040 -2.825 -12.396 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.570 -4.408 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.999 -4.651 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.457 -5.083 -12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.111 -5.045 -11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.018 -6.921 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.514 -6.879 -11.358 1.00 0.00 H new ATOM 0 HE ARG A 3 0.142 -7.709 -12.479 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.392 -7.633 -12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.502 -8.904 -13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.017 -9.372 -14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.605 -9.881 -14.618 1.00 0.00 H new ATOM 50 N VAL A 4 -3.952 -1.556 -11.431 1.00 0.00 N ATOM 51 CA VAL A 4 -4.989 -0.672 -10.916 1.00 0.00 C ATOM 52 C VAL A 4 -6.310 -0.923 -11.631 1.00 0.00 C ATOM 53 O VAL A 4 -6.335 -1.308 -12.800 1.00 0.00 O ATOM 54 CB VAL A 4 -4.613 0.826 -11.095 1.00 0.00 C ATOM 55 CG1 VAL A 4 -5.585 1.730 -10.356 1.00 0.00 C ATOM 56 CG2 VAL A 4 -3.186 1.107 -10.648 1.00 0.00 C ATOM 0 H VAL A 4 -4.003 -1.727 -12.435 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.087 -0.889 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.680 1.045 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.295 2.771 -10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.592 1.576 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.566 1.492 -9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.962 2.164 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.078 0.851 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.495 0.508 -11.240 1.00 0.00 H new ATOM 66 N LYS A 5 -7.396 -0.720 -10.912 1.00 0.00 N ATOM 67 CA LYS A 5 -8.728 -0.748 -11.491 1.00 0.00 C ATOM 68 C LYS A 5 -9.294 0.666 -11.429 1.00 0.00 C ATOM 69 O LYS A 5 -8.751 1.506 -10.712 1.00 0.00 O ATOM 70 CB LYS A 5 -9.648 -1.732 -10.750 1.00 0.00 C ATOM 71 CG LYS A 5 -9.267 -3.203 -10.911 1.00 0.00 C ATOM 72 CD LYS A 5 -8.049 -3.575 -10.076 1.00 0.00 C ATOM 73 CE LYS A 5 -7.637 -5.026 -10.292 1.00 0.00 C ATOM 74 NZ LYS A 5 -8.691 -5.984 -9.865 1.00 0.00 N ATOM 0 H LYS A 5 -7.382 -0.531 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.669 -1.092 -12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.644 -1.483 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.669 -1.593 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.110 -3.829 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.063 -3.411 -11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.218 -2.919 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.268 -3.413 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.412 -5.184 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.721 -5.227 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.316 -6.953 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.985 -5.765 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.510 -5.905 -10.501 1.00 0.00 H new ATOM 88 N ARG A 6 -10.372 0.930 -12.160 1.00 0.00 N ATOM 89 CA ARG A 6 -10.912 2.289 -12.256 1.00 0.00 C ATOM 90 C ARG A 6 -11.282 2.844 -10.874 1.00 0.00 C ATOM 91 O ARG A 6 -11.595 2.078 -9.954 1.00 0.00 O ATOM 92 CB ARG A 6 -12.126 2.339 -13.201 1.00 0.00 C ATOM 93 CG ARG A 6 -13.453 1.934 -12.570 1.00 0.00 C ATOM 94 CD ARG A 6 -13.527 0.446 -12.268 1.00 0.00 C ATOM 95 NE ARG A 6 -14.848 0.073 -11.770 1.00 0.00 N ATOM 96 CZ ARG A 6 -15.462 -1.070 -12.069 1.00 0.00 C ATOM 97 NH1 ARG A 6 -14.839 -1.996 -12.787 1.00 0.00 N ATOM 98 NH2 ARG A 6 -16.701 -1.290 -11.647 1.00 0.00 N ATOM 0 H ARG A 6 -10.888 0.230 -12.692 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.128 2.921 -12.673 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.221 3.352 -13.592 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.932 1.686 -14.052 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.599 2.496 -11.647 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.268 2.206 -13.241 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.302 -0.122 -13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.770 0.184 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.330 0.729 -11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.886 -1.834 -13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.313 -2.870 -13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.184 -0.583 -11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.170 -2.166 -11.877 1.00 0.00 H new ATOM 112 N PRO A 7 -11.218 4.183 -10.717 1.00 0.00 N ATOM 113 CA PRO A 7 -11.541 4.866 -9.455 1.00 0.00 C ATOM 114 C PRO A 7 -12.831 4.357 -8.817 1.00 0.00 C ATOM 115 O PRO A 7 -13.855 4.189 -9.487 1.00 0.00 O ATOM 116 CB PRO A 7 -11.685 6.325 -9.880 1.00 0.00 C ATOM 117 CG PRO A 7 -10.761 6.462 -11.038 1.00 0.00 C ATOM 118 CD PRO A 7 -10.804 5.142 -11.763 1.00 0.00 C ATOM 0 HA PRO A 7 -10.779 4.699 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.712 6.558 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.413 7.004 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.073 7.276 -11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.749 6.691 -10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.513 5.162 -12.591 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.832 4.883 -12.182 1.00 0.00 H new ATOM 126 N MET A 8 -12.760 4.116 -7.517 1.00 0.00 N ATOM 127 CA MET A 8 -13.869 3.556 -6.762 1.00 0.00 C ATOM 128 C MET A 8 -13.835 4.125 -5.351 1.00 0.00 C ATOM 129 O MET A 8 -12.876 4.803 -4.992 1.00 0.00 O ATOM 130 CB MET A 8 -13.775 2.024 -6.741 1.00 0.00 C ATOM 131 CG MET A 8 -15.032 1.331 -6.237 1.00 0.00 C ATOM 132 SD MET A 8 -16.486 1.726 -7.229 1.00 0.00 S ATOM 133 CE MET A 8 -17.748 0.775 -6.382 1.00 0.00 C ATOM 0 H MET A 8 -11.930 4.304 -6.955 1.00 0.00 H new ATOM 0 HA MET A 8 -14.815 3.823 -7.233 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.557 1.670 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.934 1.731 -6.112 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.875 0.252 -6.242 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.213 1.622 -5.202 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.505 0.456 -7.098 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.294 -0.101 -5.919 1.00 0.00 H new ATOM 0 HE3 MET A 8 -18.213 1.392 -5.613 1.00 0.00 H new ATOM 143 N ASN A 9 -14.887 3.893 -4.576 1.00 0.00 N ATOM 144 CA ASN A 9 -14.963 4.380 -3.203 1.00 0.00 C ATOM 145 C ASN A 9 -13.775 3.894 -2.364 1.00 0.00 C ATOM 146 O ASN A 9 -13.152 2.872 -2.675 1.00 0.00 O ATOM 147 CB ASN A 9 -16.285 3.944 -2.560 1.00 0.00 C ATOM 148 CG ASN A 9 -16.456 2.438 -2.497 1.00 0.00 C ATOM 149 OD1 ASN A 9 -16.848 1.804 -3.473 1.00 0.00 O ATOM 150 ND2 ASN A 9 -16.196 1.863 -1.339 1.00 0.00 N ATOM 0 H ASN A 9 -15.706 3.366 -4.878 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.922 5.469 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.341 4.351 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.114 4.373 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.319 0.856 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.872 2.425 -0.552 1.00 0.00 H new ATOM 157 N ALA A 10 -13.498 4.633 -1.289 1.00 0.00 N ATOM 158 CA ALA A 10 -12.339 4.420 -0.418 1.00 0.00 C ATOM 159 C ALA A 10 -12.102 2.959 -0.017 1.00 0.00 C ATOM 160 O ALA A 10 -10.948 2.533 0.076 1.00 0.00 O ATOM 161 CB ALA A 10 -12.503 5.268 0.833 1.00 0.00 C ATOM 0 H ALA A 10 -14.085 5.413 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.462 4.714 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.646 5.118 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.566 6.320 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.415 4.975 1.354 1.00 0.00 H new ATOM 167 N PHE A 11 -13.165 2.191 0.235 1.00 0.00 N ATOM 168 CA PHE A 11 -13.001 0.787 0.633 1.00 0.00 C ATOM 169 C PHE A 11 -12.166 0.032 -0.393 1.00 0.00 C ATOM 170 O PHE A 11 -11.196 -0.646 -0.052 1.00 0.00 O ATOM 171 CB PHE A 11 -14.353 0.083 0.816 1.00 0.00 C ATOM 172 CG PHE A 11 -14.213 -1.327 1.335 1.00 0.00 C ATOM 173 CD1 PHE A 11 -14.029 -1.560 2.687 1.00 0.00 C ATOM 174 CD2 PHE A 11 -14.246 -2.413 0.474 1.00 0.00 C ATOM 175 CE1 PHE A 11 -13.879 -2.845 3.173 1.00 0.00 C ATOM 176 CE2 PHE A 11 -14.101 -3.703 0.956 1.00 0.00 C ATOM 177 CZ PHE A 11 -13.914 -3.920 2.308 1.00 0.00 C ATOM 0 H PHE A 11 -14.132 2.508 0.173 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.485 0.785 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.967 0.660 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.879 0.063 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.002 -0.725 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.386 -2.251 -0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.734 -3.008 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.134 -4.540 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.796 -4.925 2.686 1.00 0.00 H new ATOM 187 N MET A 12 -12.535 0.179 -1.654 1.00 0.00 N ATOM 188 CA MET A 12 -11.816 -0.480 -2.731 1.00 0.00 C ATOM 189 C MET A 12 -10.439 0.140 -2.890 1.00 0.00 C ATOM 190 O MET A 12 -9.448 -0.567 -3.092 1.00 0.00 O ATOM 191 CB MET A 12 -12.595 -0.386 -4.043 1.00 0.00 C ATOM 192 CG MET A 12 -13.780 -1.333 -4.116 1.00 0.00 C ATOM 193 SD MET A 12 -13.279 -3.064 -4.128 1.00 0.00 S ATOM 194 CE MET A 12 -14.868 -3.876 -4.296 1.00 0.00 C ATOM 0 H MET A 12 -13.326 0.747 -1.957 1.00 0.00 H new ATOM 0 HA MET A 12 -11.705 -1.534 -2.478 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.949 0.637 -4.173 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.920 -0.597 -4.872 1.00 0.00 H new ATOM 0 HG2 MET A 12 -14.437 -1.154 -3.265 1.00 0.00 H new ATOM 0 HG3 MET A 12 -14.358 -1.119 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.724 -4.956 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.503 -3.612 -3.450 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.345 -3.554 -5.222 1.00 0.00 H new ATOM 204 N VAL A 13 -10.391 1.462 -2.764 1.00 0.00 N ATOM 205 CA VAL A 13 -9.151 2.214 -2.894 1.00 0.00 C ATOM 206 C VAL A 13 -8.074 1.657 -1.987 1.00 0.00 C ATOM 207 O VAL A 13 -6.998 1.290 -2.445 1.00 0.00 O ATOM 208 CB VAL A 13 -9.342 3.703 -2.550 1.00 0.00 C ATOM 209 CG1 VAL A 13 -8.018 4.438 -2.636 1.00 0.00 C ATOM 210 CG2 VAL A 13 -10.356 4.342 -3.475 1.00 0.00 C ATOM 0 H VAL A 13 -11.209 2.040 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.849 2.120 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.717 3.772 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.169 5.489 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.311 3.998 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.621 4.355 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.475 5.394 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.010 4.261 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.314 3.832 -3.373 1.00 0.00 H new ATOM 220 N TRP A 14 -8.381 1.578 -0.708 1.00 0.00 N ATOM 221 CA TRP A 14 -7.413 1.117 0.266 1.00 0.00 C ATOM 222 C TRP A 14 -7.110 -0.354 0.058 1.00 0.00 C ATOM 223 O TRP A 14 -6.013 -0.805 0.353 1.00 0.00 O ATOM 224 CB TRP A 14 -7.922 1.353 1.680 1.00 0.00 C ATOM 225 CG TRP A 14 -6.833 1.336 2.711 1.00 0.00 C ATOM 226 CD1 TRP A 14 -5.663 2.039 2.674 1.00 0.00 C ATOM 227 CD2 TRP A 14 -6.818 0.595 3.937 1.00 0.00 C ATOM 228 NE1 TRP A 14 -4.918 1.772 3.794 1.00 0.00 N ATOM 229 CE2 TRP A 14 -5.606 0.894 4.589 1.00 0.00 C ATOM 230 CE3 TRP A 14 -7.709 -0.290 4.550 1.00 0.00 C ATOM 231 CZ2 TRP A 14 -5.262 0.335 5.818 1.00 0.00 C ATOM 232 CZ3 TRP A 14 -7.368 -0.841 5.771 1.00 0.00 C ATOM 233 CH2 TRP A 14 -6.154 -0.523 6.395 1.00 0.00 C ATOM 0 H TRP A 14 -9.291 1.826 -0.320 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.493 1.686 0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.435 2.314 1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.659 0.588 1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.368 2.708 1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.000 2.164 4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.648 -0.539 4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.324 0.572 6.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.048 -1.528 6.252 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -5.919 -0.966 7.352 1.00 0.00 H new ATOM 244 N SER A 15 -8.072 -1.097 -0.470 1.00 0.00 N ATOM 245 CA SER A 15 -7.854 -2.506 -0.731 1.00 0.00 C ATOM 246 C SER A 15 -6.700 -2.662 -1.720 1.00 0.00 C ATOM 247 O SER A 15 -5.691 -3.308 -1.423 1.00 0.00 O ATOM 248 CB SER A 15 -9.132 -3.159 -1.274 1.00 0.00 C ATOM 249 OG SER A 15 -8.961 -4.553 -1.456 1.00 0.00 O ATOM 0 H SER A 15 -8.998 -0.751 -0.722 1.00 0.00 H new ATOM 0 HA SER A 15 -7.595 -3.010 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.956 -2.979 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.404 -2.697 -2.223 1.00 0.00 H new ATOM 0 HG SER A 15 -9.792 -4.942 -1.801 1.00 0.00 H new ATOM 255 N ARG A 16 -6.826 -2.000 -2.864 1.00 0.00 N ATOM 256 CA ARG A 16 -5.831 -2.112 -3.925 1.00 0.00 C ATOM 257 C ARG A 16 -4.582 -1.289 -3.603 1.00 0.00 C ATOM 258 O ARG A 16 -3.462 -1.710 -3.889 1.00 0.00 O ATOM 259 CB ARG A 16 -6.439 -1.679 -5.266 1.00 0.00 C ATOM 260 CG ARG A 16 -6.952 -0.248 -5.282 1.00 0.00 C ATOM 261 CD ARG A 16 -7.775 0.036 -6.526 1.00 0.00 C ATOM 262 NE ARG A 16 -8.994 -0.772 -6.575 1.00 0.00 N ATOM 263 CZ ARG A 16 -10.066 -0.472 -7.312 1.00 0.00 C ATOM 264 NH1 ARG A 16 -10.077 0.628 -8.064 1.00 0.00 N ATOM 265 NH2 ARG A 16 -11.124 -1.275 -7.294 1.00 0.00 N ATOM 0 H ARG A 16 -7.607 -1.380 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.526 -3.156 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.687 -1.793 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.261 -2.351 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.559 -0.068 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.109 0.442 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.040 1.093 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.172 -0.163 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.027 -1.620 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.264 1.244 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.898 0.854 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.115 -2.117 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.945 -1.049 -7.856 1.00 0.00 H new ATOM 279 N GLY A 17 -4.780 -0.134 -2.986 1.00 0.00 N ATOM 280 CA GLY A 17 -3.680 0.757 -2.688 1.00 0.00 C ATOM 281 C GLY A 17 -2.796 0.239 -1.576 1.00 0.00 C ATOM 282 O GLY A 17 -1.570 0.214 -1.715 1.00 0.00 O ATOM 0 H GLY A 17 -5.694 0.204 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.080 0.901 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.074 1.734 -2.408 1.00 0.00 H new ATOM 286 N GLN A 18 -3.411 -0.194 -0.481 1.00 0.00 N ATOM 287 CA GLN A 18 -2.659 -0.660 0.674 1.00 0.00 C ATOM 288 C GLN A 18 -1.909 -1.943 0.343 1.00 0.00 C ATOM 289 O GLN A 18 -0.745 -2.083 0.708 1.00 0.00 O ATOM 290 CB GLN A 18 -3.577 -0.881 1.878 1.00 0.00 C ATOM 291 CG GLN A 18 -2.840 -1.218 3.165 1.00 0.00 C ATOM 292 CD GLN A 18 -1.935 -0.096 3.639 1.00 0.00 C ATOM 293 OE1 GLN A 18 -0.865 -0.459 4.317 1.00 0.00 O flip ATOM 294 NE2 GLN A 18 -2.193 1.082 3.404 1.00 0.00 N flip ATOM 0 H GLN A 18 -4.424 -0.231 -0.371 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.936 0.113 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.173 0.018 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.273 -1.688 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.567 -1.446 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.245 -2.118 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.031 1.325 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.569 1.817 3.737 1.00 0.00 H new ATOM 303 N ARG A 19 -2.556 -2.877 -0.363 1.00 0.00 N ATOM 304 CA ARG A 19 -1.883 -4.121 -0.739 1.00 0.00 C ATOM 305 C ARG A 19 -0.706 -3.825 -1.673 1.00 0.00 C ATOM 306 O ARG A 19 0.307 -4.523 -1.650 1.00 0.00 O ATOM 307 CB ARG A 19 -2.859 -5.124 -1.378 1.00 0.00 C ATOM 308 CG ARG A 19 -3.384 -4.719 -2.745 1.00 0.00 C ATOM 309 CD ARG A 19 -4.482 -5.660 -3.218 1.00 0.00 C ATOM 310 NE ARG A 19 -4.004 -7.027 -3.418 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.634 -8.113 -2.967 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.734 -8.000 -2.228 1.00 0.00 N ATOM 313 NH2 ARG A 19 -4.151 -9.315 -3.255 1.00 0.00 N ATOM 0 H ARG A 19 -3.523 -2.798 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.498 -4.584 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.360 -6.089 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.706 -5.264 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.769 -3.700 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.566 -4.720 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.291 -5.665 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.899 -5.285 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.134 -7.159 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.103 -7.077 -2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.208 -8.837 -1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.304 -9.403 -3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.626 -10.151 -2.914 1.00 0.00 H new ATOM 327 N ARG A 20 -0.840 -2.772 -2.480 1.00 0.00 N ATOM 328 CA ARG A 20 0.238 -2.330 -3.355 1.00 0.00 C ATOM 329 C ARG A 20 1.417 -1.794 -2.538 1.00 0.00 C ATOM 330 O ARG A 20 2.538 -2.303 -2.632 1.00 0.00 O ATOM 331 CB ARG A 20 -0.276 -1.248 -4.314 1.00 0.00 C ATOM 332 CG ARG A 20 0.815 -0.599 -5.154 1.00 0.00 C ATOM 333 CD ARG A 20 0.256 0.478 -6.075 1.00 0.00 C ATOM 334 NE ARG A 20 -0.398 1.566 -5.339 1.00 0.00 N ATOM 335 CZ ARG A 20 -0.577 2.796 -5.831 1.00 0.00 C ATOM 336 NH1 ARG A 20 -0.107 3.108 -7.038 1.00 0.00 N ATOM 337 NH2 ARG A 20 -1.218 3.716 -5.114 1.00 0.00 N ATOM 0 H ARG A 20 -1.689 -2.210 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 20 0.585 -3.186 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.019 -1.689 -4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.784 -0.476 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.567 -0.161 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.317 -1.362 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.064 0.888 -6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.460 0.027 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.736 1.372 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.390 2.408 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.245 4.047 -7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.574 3.483 -4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.353 4.654 -5.492 1.00 0.00 H new ATOM 351 N LYS A 21 1.158 -0.785 -1.716 1.00 0.00 N ATOM 352 CA LYS A 21 2.223 -0.134 -0.964 1.00 0.00 C ATOM 353 C LYS A 21 2.799 -1.054 0.116 1.00 0.00 C ATOM 354 O LYS A 21 3.984 -0.975 0.429 1.00 0.00 O ATOM 355 CB LYS A 21 1.730 1.192 -0.368 1.00 0.00 C ATOM 356 CG LYS A 21 0.554 1.060 0.590 1.00 0.00 C ATOM 357 CD LYS A 21 0.990 1.194 2.038 1.00 0.00 C ATOM 358 CE LYS A 21 1.516 2.590 2.334 1.00 0.00 C ATOM 359 NZ LYS A 21 1.994 2.708 3.733 1.00 0.00 N ATOM 0 H LYS A 21 0.227 -0.402 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 21 3.034 0.087 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.558 1.669 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.445 1.857 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.189 1.824 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.072 0.093 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.148 0.974 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.764 0.458 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.331 2.825 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.728 3.322 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.541 3.586 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.178 2.727 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.598 1.893 3.963 1.00 0.00 H new ATOM 373 N MET A 22 1.970 -1.938 0.664 1.00 0.00 N ATOM 374 CA MET A 22 2.433 -2.894 1.666 1.00 0.00 C ATOM 375 C MET A 22 3.354 -3.929 1.046 1.00 0.00 C ATOM 376 O MET A 22 4.315 -4.361 1.676 1.00 0.00 O ATOM 377 CB MET A 22 1.262 -3.594 2.358 1.00 0.00 C ATOM 378 CG MET A 22 0.971 -3.051 3.746 1.00 0.00 C ATOM 379 SD MET A 22 -0.407 -3.896 4.546 1.00 0.00 S ATOM 380 CE MET A 22 -0.340 -3.189 6.190 1.00 0.00 C ATOM 0 H MET A 22 0.979 -2.013 0.433 1.00 0.00 H new ATOM 0 HA MET A 22 2.988 -2.329 2.415 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.370 -3.490 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.477 -4.660 2.431 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.862 -3.151 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.748 -1.986 3.676 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.869 -3.839 6.887 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.700 -3.091 6.502 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.810 -2.206 6.183 1.00 0.00 H new ATOM 390 N ALA A 23 3.067 -4.323 -0.189 1.00 0.00 N ATOM 391 CA ALA A 23 3.930 -5.257 -0.899 1.00 0.00 C ATOM 392 C ALA A 23 5.315 -4.654 -1.097 1.00 0.00 C ATOM 393 O ALA A 23 6.327 -5.360 -1.086 1.00 0.00 O ATOM 394 CB ALA A 23 3.319 -5.642 -2.236 1.00 0.00 C ATOM 0 H ALA A 23 2.250 -4.013 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 23 4.029 -6.160 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.979 -6.340 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.350 -6.113 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.189 -4.749 -2.847 1.00 0.00 H new ATOM 400 N GLN A 24 5.342 -3.338 -1.276 1.00 0.00 N ATOM 401 CA GLN A 24 6.593 -2.598 -1.391 1.00 0.00 C ATOM 402 C GLN A 24 7.291 -2.486 -0.033 1.00 0.00 C ATOM 403 O GLN A 24 8.492 -2.729 0.077 1.00 0.00 O ATOM 404 CB GLN A 24 6.319 -1.199 -1.952 1.00 0.00 C ATOM 405 CG GLN A 24 7.567 -0.346 -2.112 1.00 0.00 C ATOM 406 CD GLN A 24 7.253 1.071 -2.552 1.00 0.00 C ATOM 407 OE1 GLN A 24 6.100 1.577 -2.145 1.00 0.00 O flip ATOM 408 NE2 GLN A 24 8.045 1.712 -3.245 1.00 0.00 N flip ATOM 0 H GLN A 24 4.505 -2.759 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 24 7.251 -3.140 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.830 -1.296 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.620 -0.684 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.107 -0.317 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.229 -0.811 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.925 1.287 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.821 2.667 -3.524 1.00 0.00 H new ATOM 417 N GLU A 25 6.531 -2.123 0.997 1.00 0.00 N ATOM 418 CA GLU A 25 7.102 -1.864 2.317 1.00 0.00 C ATOM 419 C GLU A 25 7.491 -3.148 3.043 1.00 0.00 C ATOM 420 O GLU A 25 8.612 -3.274 3.540 1.00 0.00 O ATOM 421 CB GLU A 25 6.112 -1.078 3.176 1.00 0.00 C ATOM 422 CG GLU A 25 5.861 0.334 2.681 1.00 0.00 C ATOM 423 CD GLU A 25 4.960 1.114 3.611 1.00 0.00 C ATOM 424 OE1 GLU A 25 3.760 0.794 3.689 1.00 0.00 O ATOM 425 OE2 GLU A 25 5.453 2.044 4.279 1.00 0.00 O ATOM 0 H GLU A 25 5.520 -2.002 0.944 1.00 0.00 H new ATOM 0 HA GLU A 25 8.009 -1.280 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.165 -1.616 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.487 -1.034 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.813 0.855 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.410 0.295 1.689 1.00 0.00 H new ATOM 432 N ASN A 26 6.576 -4.099 3.106 1.00 0.00 N ATOM 433 CA ASN A 26 6.811 -5.323 3.860 1.00 0.00 C ATOM 434 C ASN A 26 6.207 -6.543 3.168 1.00 0.00 C ATOM 435 O ASN A 26 5.079 -6.950 3.450 1.00 0.00 O ATOM 436 CB ASN A 26 6.311 -5.193 5.311 1.00 0.00 C ATOM 437 CG ASN A 26 4.938 -4.540 5.464 1.00 0.00 C ATOM 438 OD1 ASN A 26 4.022 -4.802 4.546 1.00 0.00 O flip ATOM 439 ND2 ASN A 26 4.695 -3.818 6.431 1.00 0.00 N flip ATOM 0 H ASN A 26 5.666 -4.050 2.647 1.00 0.00 H new ATOM 0 HA ASN A 26 7.890 -5.477 3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.276 -6.187 5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.038 -4.613 5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.420 -3.633 7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.769 -3.405 6.539 1.00 0.00 H new ATOM 446 N PRO A 27 6.959 -7.134 2.235 1.00 0.00 N ATOM 447 CA PRO A 27 6.533 -8.328 1.500 1.00 0.00 C ATOM 448 C PRO A 27 6.540 -9.583 2.360 1.00 0.00 C ATOM 449 O PRO A 27 6.172 -10.664 1.898 1.00 0.00 O ATOM 450 CB PRO A 27 7.564 -8.441 0.378 1.00 0.00 C ATOM 451 CG PRO A 27 8.783 -7.787 0.924 1.00 0.00 C ATOM 452 CD PRO A 27 8.295 -6.675 1.807 1.00 0.00 C ATOM 0 HA PRO A 27 5.505 -8.239 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.755 -9.482 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.220 -7.944 -0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.387 -8.497 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.412 -7.401 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.957 -6.519 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.241 -5.729 1.268 1.00 0.00 H new ATOM 460 N LYS A 28 6.967 -9.443 3.610 1.00 0.00 N ATOM 461 CA LYS A 28 7.051 -10.585 4.500 1.00 0.00 C ATOM 462 C LYS A 28 5.654 -11.013 4.924 1.00 0.00 C ATOM 463 O LYS A 28 5.400 -12.189 5.186 1.00 0.00 O ATOM 464 CB LYS A 28 7.870 -10.241 5.741 1.00 0.00 C ATOM 465 CG LYS A 28 8.326 -11.461 6.515 1.00 0.00 C ATOM 466 CD LYS A 28 8.492 -11.162 7.992 1.00 0.00 C ATOM 467 CE LYS A 28 9.319 -12.238 8.671 1.00 0.00 C ATOM 468 NZ LYS A 28 10.760 -12.127 8.315 1.00 0.00 N ATOM 0 H LYS A 28 7.257 -8.557 4.023 1.00 0.00 H new ATOM 0 HA LYS A 28 7.541 -11.400 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.743 -9.661 5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.274 -9.605 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.601 -12.265 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.272 -11.817 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.974 -10.193 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.513 -11.096 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.203 -12.159 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.947 -13.221 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.327 -12.684 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.909 -12.490 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.053 -11.130 8.358 1.00 0.00 H new ATOM 482 N MET A 29 4.744 -10.056 4.965 1.00 0.00 N ATOM 483 CA MET A 29 3.357 -10.358 5.233 1.00 0.00 C ATOM 484 C MET A 29 2.619 -10.476 3.915 1.00 0.00 C ATOM 485 O MET A 29 2.534 -9.524 3.141 1.00 0.00 O ATOM 486 CB MET A 29 2.714 -9.311 6.150 1.00 0.00 C ATOM 487 CG MET A 29 2.720 -7.894 5.605 1.00 0.00 C ATOM 488 SD MET A 29 2.350 -6.676 6.881 1.00 0.00 S ATOM 489 CE MET A 29 3.712 -6.973 8.009 1.00 0.00 C ATOM 0 H MET A 29 4.944 -9.067 4.816 1.00 0.00 H new ATOM 0 HA MET A 29 3.294 -11.307 5.766 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.683 -9.605 6.346 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.235 -9.319 7.107 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.696 -7.678 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.987 -7.812 4.802 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.964 -6.048 8.527 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.422 -7.730 8.738 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.579 -7.323 7.449 1.00 0.00 H new ATOM 499 N HIS A 30 2.120 -11.665 3.654 1.00 0.00 N ATOM 500 CA HIS A 30 1.559 -11.983 2.356 1.00 0.00 C ATOM 501 C HIS A 30 0.167 -11.382 2.204 1.00 0.00 C ATOM 502 O HIS A 30 -0.428 -10.934 3.186 1.00 0.00 O ATOM 503 CB HIS A 30 1.551 -13.499 2.155 1.00 0.00 C ATOM 504 CG HIS A 30 2.929 -14.098 2.194 1.00 0.00 C ATOM 505 ND1 HIS A 30 3.699 -14.284 1.071 1.00 0.00 N ATOM 506 CD2 HIS A 30 3.689 -14.518 3.239 1.00 0.00 C ATOM 507 CE1 HIS A 30 4.868 -14.788 1.416 1.00 0.00 C ATOM 508 NE2 HIS A 30 4.889 -14.940 2.726 1.00 0.00 N ATOM 0 H HIS A 30 2.091 -12.432 4.326 1.00 0.00 H new ATOM 0 HA HIS A 30 2.182 -11.541 1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.937 -13.960 2.928 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.085 -13.732 1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.402 -14.519 4.280 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.673 -15.035 0.739 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.669 -15.310 3.268 1.00 0.00 H new ATOM 517 N ASN A 31 -0.354 -11.383 0.979 1.00 0.00 N ATOM 518 CA ASN A 31 -1.585 -10.653 0.669 1.00 0.00 C ATOM 519 C ASN A 31 -2.770 -11.182 1.476 1.00 0.00 C ATOM 520 O ASN A 31 -3.724 -10.447 1.738 1.00 0.00 O ATOM 521 CB ASN A 31 -1.894 -10.698 -0.834 1.00 0.00 C ATOM 522 CG ASN A 31 -2.758 -11.877 -1.246 1.00 0.00 C ATOM 523 OD1 ASN A 31 -3.985 -11.775 -1.285 1.00 0.00 O ATOM 524 ND2 ASN A 31 -2.129 -12.997 -1.561 1.00 0.00 N ATOM 0 H ASN A 31 0.054 -11.879 0.186 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.423 -9.613 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.396 -9.774 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.956 -10.736 -1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.662 -13.817 -1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.111 -13.040 -1.516 1.00 0.00 H new ATOM 531 N SER A 32 -2.705 -12.448 1.875 1.00 0.00 N ATOM 532 CA SER A 32 -3.721 -13.022 2.743 1.00 0.00 C ATOM 533 C SER A 32 -3.746 -12.274 4.075 1.00 0.00 C ATOM 534 O SER A 32 -4.800 -11.839 4.538 1.00 0.00 O ATOM 535 CB SER A 32 -3.442 -14.509 2.971 1.00 0.00 C ATOM 536 OG SER A 32 -3.306 -15.192 1.734 1.00 0.00 O ATOM 0 H SER A 32 -1.960 -13.093 1.611 1.00 0.00 H new ATOM 0 HA SER A 32 -4.696 -12.923 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.532 -14.627 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.254 -14.952 3.549 1.00 0.00 H new ATOM 0 HG SER A 32 -3.126 -16.141 1.902 1.00 0.00 H new ATOM 542 N GLU A 33 -2.568 -12.067 4.650 1.00 0.00 N ATOM 543 CA GLU A 33 -2.443 -11.364 5.919 1.00 0.00 C ATOM 544 C GLU A 33 -2.951 -9.943 5.752 1.00 0.00 C ATOM 545 O GLU A 33 -3.743 -9.448 6.555 1.00 0.00 O ATOM 546 CB GLU A 33 -0.982 -11.339 6.384 1.00 0.00 C ATOM 547 CG GLU A 33 -0.325 -12.710 6.433 1.00 0.00 C ATOM 548 CD GLU A 33 -1.077 -13.690 7.305 1.00 0.00 C ATOM 549 OE1 GLU A 33 -0.950 -13.613 8.541 1.00 0.00 O ATOM 550 OE2 GLU A 33 -1.788 -14.553 6.750 1.00 0.00 O ATOM 0 H GLU A 33 -1.681 -12.378 4.254 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.034 -11.885 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.409 -10.697 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.935 -10.889 7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.255 -13.110 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.694 -12.606 6.806 1.00 0.00 H new ATOM 557 N ILE A 34 -2.505 -9.311 4.673 1.00 0.00 N ATOM 558 CA ILE A 34 -2.932 -7.968 4.328 1.00 0.00 C ATOM 559 C ILE A 34 -4.459 -7.876 4.278 1.00 0.00 C ATOM 560 O ILE A 34 -5.041 -6.923 4.791 1.00 0.00 O ATOM 561 CB ILE A 34 -2.340 -7.534 2.967 1.00 0.00 C ATOM 562 CG1 ILE A 34 -0.809 -7.577 3.015 1.00 0.00 C ATOM 563 CG2 ILE A 34 -2.826 -6.140 2.589 1.00 0.00 C ATOM 564 CD1 ILE A 34 -0.146 -7.244 1.694 1.00 0.00 C ATOM 0 H ILE A 34 -1.839 -9.717 4.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.564 -7.296 5.103 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.682 -8.232 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.459 -6.877 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.492 -8.572 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.398 -5.854 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.914 -6.141 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.515 -5.427 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.937 -7.295 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.466 -7.959 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.432 -6.238 1.387 1.00 0.00 H new ATOM 576 N SER A 35 -5.113 -8.890 3.711 1.00 0.00 N ATOM 577 CA SER A 35 -6.563 -8.840 3.553 1.00 0.00 C ATOM 578 C SER A 35 -7.252 -9.033 4.905 1.00 0.00 C ATOM 579 O SER A 35 -8.328 -8.484 5.150 1.00 0.00 O ATOM 580 CB SER A 35 -7.052 -9.874 2.527 1.00 0.00 C ATOM 581 OG SER A 35 -6.736 -11.201 2.909 1.00 0.00 O ATOM 0 H SER A 35 -4.671 -9.740 3.360 1.00 0.00 H new ATOM 0 HA SER A 35 -6.829 -7.855 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.131 -9.780 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.603 -9.661 1.557 1.00 0.00 H new ATOM 0 HG SER A 35 -6.160 -11.185 3.702 1.00 0.00 H new ATOM 587 N LYS A 36 -6.602 -9.787 5.787 1.00 0.00 N ATOM 588 CA LYS A 36 -7.114 -10.013 7.130 1.00 0.00 C ATOM 589 C LYS A 36 -7.062 -8.720 7.930 1.00 0.00 C ATOM 590 O LYS A 36 -8.017 -8.363 8.631 1.00 0.00 O ATOM 591 CB LYS A 36 -6.290 -11.092 7.835 1.00 0.00 C ATOM 592 CG LYS A 36 -6.463 -12.481 7.241 1.00 0.00 C ATOM 593 CD LYS A 36 -7.820 -13.071 7.581 1.00 0.00 C ATOM 594 CE LYS A 36 -7.987 -13.233 9.082 1.00 0.00 C ATOM 595 NZ LYS A 36 -9.274 -13.883 9.436 1.00 0.00 N ATOM 0 H LYS A 36 -5.716 -10.253 5.592 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.149 -10.349 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.236 -10.817 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.570 -11.120 8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.349 -12.431 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.677 -13.137 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.608 -12.426 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.931 -14.039 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.162 -13.826 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.932 -12.255 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.345 -13.973 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.063 -13.305 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.317 -14.827 9.003 1.00 0.00 H new ATOM 609 N ARG A 37 -5.943 -8.016 7.805 1.00 0.00 N ATOM 610 CA ARG A 37 -5.752 -6.756 8.502 1.00 0.00 C ATOM 611 C ARG A 37 -6.709 -5.700 7.968 1.00 0.00 C ATOM 612 O ARG A 37 -7.470 -5.125 8.729 1.00 0.00 O ATOM 613 CB ARG A 37 -4.306 -6.268 8.374 1.00 0.00 C ATOM 614 CG ARG A 37 -3.293 -7.173 9.058 1.00 0.00 C ATOM 615 CD ARG A 37 -1.880 -6.623 8.941 1.00 0.00 C ATOM 616 NE ARG A 37 -1.722 -5.337 9.623 1.00 0.00 N ATOM 617 CZ ARG A 37 -0.602 -4.612 9.596 1.00 0.00 C ATOM 618 NH1 ARG A 37 0.467 -5.051 8.941 1.00 0.00 N ATOM 619 NH2 ARG A 37 -0.554 -3.448 10.229 1.00 0.00 N ATOM 0 H ARG A 37 -5.154 -8.300 7.225 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.964 -6.924 9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.052 -6.186 7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.231 -5.267 8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.555 -7.283 10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.335 -8.167 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.177 -7.343 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.625 -6.506 7.888 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.516 -4.973 10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.435 -5.947 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.320 -4.492 8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.372 -3.109 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.301 -2.892 10.210 1.00 0.00 H new ATOM 633 N LEU A 38 -6.696 -5.492 6.652 1.00 0.00 N ATOM 634 CA LEU A 38 -7.505 -4.442 6.017 1.00 0.00 C ATOM 635 C LEU A 38 -8.974 -4.518 6.431 1.00 0.00 C ATOM 636 O LEU A 38 -9.582 -3.501 6.767 1.00 0.00 O ATOM 637 CB LEU A 38 -7.381 -4.512 4.490 1.00 0.00 C ATOM 638 CG LEU A 38 -6.313 -3.597 3.875 1.00 0.00 C ATOM 639 CD1 LEU A 38 -4.953 -3.826 4.518 1.00 0.00 C ATOM 640 CD2 LEU A 38 -6.240 -3.810 2.372 1.00 0.00 C ATOM 0 H LEU A 38 -6.133 -6.037 5.999 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.115 -3.485 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.161 -5.541 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.347 -4.261 4.052 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.600 -2.563 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.218 -3.163 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.016 -3.617 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.650 -4.862 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.479 -3.155 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.982 -4.848 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.207 -3.580 1.924 1.00 0.00 H new ATOM 652 N GLY A 39 -9.536 -5.720 6.421 1.00 0.00 N ATOM 653 CA GLY A 39 -10.917 -5.896 6.836 1.00 0.00 C ATOM 654 C GLY A 39 -11.132 -5.516 8.291 1.00 0.00 C ATOM 655 O GLY A 39 -12.078 -4.796 8.626 1.00 0.00 O ATOM 0 H GLY A 39 -9.062 -6.576 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.565 -5.288 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.210 -6.935 6.687 1.00 0.00 H new ATOM 659 N ALA A 40 -10.240 -5.981 9.155 1.00 0.00 N ATOM 660 CA ALA A 40 -10.331 -5.684 10.578 1.00 0.00 C ATOM 661 C ALA A 40 -10.131 -4.194 10.840 1.00 0.00 C ATOM 662 O ALA A 40 -10.815 -3.605 11.676 1.00 0.00 O ATOM 663 CB ALA A 40 -9.314 -6.501 11.357 1.00 0.00 C ATOM 0 H ALA A 40 -9.445 -6.565 8.895 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.331 -5.956 10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.395 -6.267 12.418 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.506 -7.563 11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.310 -6.260 11.008 1.00 0.00 H new ATOM 669 N GLU A 41 -9.210 -3.582 10.102 1.00 0.00 N ATOM 670 CA GLU A 41 -8.899 -2.167 10.291 1.00 0.00 C ATOM 671 C GLU A 41 -10.065 -1.305 9.830 1.00 0.00 C ATOM 672 O GLU A 41 -10.371 -0.284 10.439 1.00 0.00 O ATOM 673 CB GLU A 41 -7.633 -1.768 9.522 1.00 0.00 C ATOM 674 CG GLU A 41 -6.427 -2.652 9.799 1.00 0.00 C ATOM 675 CD GLU A 41 -6.019 -2.682 11.257 1.00 0.00 C ATOM 676 OE1 GLU A 41 -6.709 -3.340 12.064 1.00 0.00 O ATOM 677 OE2 GLU A 41 -4.993 -2.063 11.603 1.00 0.00 O ATOM 0 H GLU A 41 -8.667 -4.040 9.370 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.724 -2.005 11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.848 -1.792 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.379 -0.738 9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.649 -3.668 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.585 -2.301 9.202 1.00 0.00 H new ATOM 684 N TRP A 42 -10.720 -1.733 8.757 1.00 0.00 N ATOM 685 CA TRP A 42 -11.854 -1.003 8.205 1.00 0.00 C ATOM 686 C TRP A 42 -13.038 -1.015 9.161 1.00 0.00 C ATOM 687 O TRP A 42 -13.820 -0.065 9.210 1.00 0.00 O ATOM 688 CB TRP A 42 -12.281 -1.597 6.864 1.00 0.00 C ATOM 689 CG TRP A 42 -12.077 -0.666 5.714 1.00 0.00 C ATOM 690 CD1 TRP A 42 -11.019 -0.646 4.859 1.00 0.00 C ATOM 691 CD2 TRP A 42 -12.955 0.385 5.293 1.00 0.00 C ATOM 692 NE1 TRP A 42 -11.179 0.355 3.934 1.00 0.00 N ATOM 693 CE2 TRP A 42 -12.362 1.002 4.181 1.00 0.00 C ATOM 694 CE3 TRP A 42 -14.186 0.864 5.752 1.00 0.00 C ATOM 695 CZ2 TRP A 42 -12.955 2.074 3.518 1.00 0.00 C ATOM 696 CZ3 TRP A 42 -14.776 1.925 5.091 1.00 0.00 C ATOM 697 CH2 TRP A 42 -14.158 2.519 3.983 1.00 0.00 C ATOM 0 H TRP A 42 -10.483 -2.586 8.250 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.533 0.028 8.057 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.719 -2.513 6.685 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -13.334 -1.874 6.916 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.176 -1.320 4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.525 0.581 3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -14.667 0.413 6.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -12.479 2.537 2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -15.728 2.302 5.434 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -14.644 3.346 3.487 1.00 0.00 H new ATOM 708 N LYS A 43 -13.171 -2.094 9.917 1.00 0.00 N ATOM 709 CA LYS A 43 -14.270 -2.225 10.863 1.00 0.00 C ATOM 710 C LYS A 43 -14.104 -1.244 12.029 1.00 0.00 C ATOM 711 O LYS A 43 -15.078 -0.867 12.682 1.00 0.00 O ATOM 712 CB LYS A 43 -14.353 -3.663 11.377 1.00 0.00 C ATOM 713 CG LYS A 43 -15.596 -3.949 12.206 1.00 0.00 C ATOM 714 CD LYS A 43 -16.865 -3.742 11.396 1.00 0.00 C ATOM 715 CE LYS A 43 -18.107 -3.970 12.241 1.00 0.00 C ATOM 716 NZ LYS A 43 -18.215 -5.372 12.714 1.00 0.00 N ATOM 0 H LYS A 43 -12.534 -2.890 9.895 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.200 -1.983 10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.330 -4.345 10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.470 -3.875 11.979 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.561 -4.974 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.610 -3.297 13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.879 -2.730 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.871 -4.425 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.088 -3.299 13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.992 -3.716 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.146 -5.519 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.107 -6.020 11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.468 -5.561 13.413 1.00 0.00 H new ATOM 730 N LEU A 44 -12.867 -0.834 12.281 1.00 0.00 N ATOM 731 CA LEU A 44 -12.572 0.124 13.344 1.00 0.00 C ATOM 732 C LEU A 44 -11.977 1.399 12.751 1.00 0.00 C ATOM 733 O LEU A 44 -11.251 2.133 13.421 1.00 0.00 O ATOM 734 CB LEU A 44 -11.596 -0.477 14.371 1.00 0.00 C ATOM 735 CG LEU A 44 -12.159 -1.588 15.273 1.00 0.00 C ATOM 736 CD1 LEU A 44 -12.325 -2.892 14.506 1.00 0.00 C ATOM 737 CD2 LEU A 44 -11.262 -1.796 16.483 1.00 0.00 C ATOM 0 H LEU A 44 -12.048 -1.150 11.762 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.505 0.364 13.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.735 -0.875 13.834 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.230 0.328 15.008 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.144 -1.273 15.616 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.725 -3.657 15.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.012 -2.740 13.674 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.357 -3.214 14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.675 -2.586 17.111 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.264 -2.081 16.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.203 -0.871 17.056 1.00 0.00 H new ATOM 749 N LEU A 45 -12.312 1.664 11.492 1.00 0.00 N ATOM 750 CA LEU A 45 -11.732 2.783 10.760 1.00 0.00 C ATOM 751 C LEU A 45 -12.266 4.122 11.260 1.00 0.00 C ATOM 752 O LEU A 45 -13.477 4.341 11.315 1.00 0.00 O ATOM 753 CB LEU A 45 -12.021 2.642 9.265 1.00 0.00 C ATOM 754 CG LEU A 45 -11.314 3.662 8.373 1.00 0.00 C ATOM 755 CD1 LEU A 45 -9.813 3.432 8.396 1.00 0.00 C ATOM 756 CD2 LEU A 45 -11.850 3.591 6.952 1.00 0.00 C ATOM 0 H LEU A 45 -12.985 1.116 10.956 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.655 2.763 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.731 1.641 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -13.096 2.728 9.108 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.514 4.661 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.323 4.166 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.445 3.536 9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.593 2.428 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.335 4.324 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.681 2.592 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.919 3.805 6.955 1.00 0.00 H new ATOM 768 N SER A 46 -11.352 5.003 11.637 1.00 0.00 N ATOM 769 CA SER A 46 -11.700 6.363 12.015 1.00 0.00 C ATOM 770 C SER A 46 -11.629 7.284 10.793 1.00 0.00 C ATOM 771 O SER A 46 -10.955 6.966 9.810 1.00 0.00 O ATOM 772 CB SER A 46 -10.744 6.861 13.097 1.00 0.00 C ATOM 773 OG SER A 46 -10.656 5.935 14.168 1.00 0.00 O ATOM 0 H SER A 46 -10.354 4.797 11.689 1.00 0.00 H new ATOM 0 HA SER A 46 -12.718 6.372 12.405 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.755 7.020 12.667 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.086 7.825 13.473 1.00 0.00 H new ATOM 0 HG SER A 46 -10.037 6.277 14.846 1.00 0.00 H new ATOM 779 N GLU A 47 -12.308 8.428 10.862 1.00 0.00 N ATOM 780 CA GLU A 47 -12.291 9.402 9.767 1.00 0.00 C ATOM 781 C GLU A 47 -10.891 9.987 9.593 1.00 0.00 C ATOM 782 O GLU A 47 -10.511 10.390 8.496 1.00 0.00 O ATOM 783 CB GLU A 47 -13.279 10.545 10.041 1.00 0.00 C ATOM 784 CG GLU A 47 -14.697 10.101 10.371 1.00 0.00 C ATOM 785 CD GLU A 47 -15.413 9.473 9.195 1.00 0.00 C ATOM 786 OE1 GLU A 47 -15.803 10.211 8.267 1.00 0.00 O ATOM 787 OE2 GLU A 47 -15.611 8.245 9.205 1.00 0.00 O ATOM 0 H GLU A 47 -12.876 8.705 11.662 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.585 8.882 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.899 11.143 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.312 11.195 9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.665 9.386 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.269 10.961 10.719 1.00 0.00 H new ATOM 794 N THR A 48 -10.131 10.031 10.683 1.00 0.00 N ATOM 795 CA THR A 48 -8.761 10.524 10.646 1.00 0.00 C ATOM 796 C THR A 48 -7.915 9.695 9.679 1.00 0.00 C ATOM 797 O THR A 48 -6.994 10.206 9.042 1.00 0.00 O ATOM 798 CB THR A 48 -8.131 10.491 12.054 1.00 0.00 C ATOM 799 OG1 THR A 48 -8.967 11.215 12.967 1.00 0.00 O ATOM 800 CG2 THR A 48 -6.736 11.098 12.053 1.00 0.00 C ATOM 0 H THR A 48 -10.444 9.729 11.606 1.00 0.00 H new ATOM 0 HA THR A 48 -8.785 11.556 10.296 1.00 0.00 H new ATOM 0 HB THR A 48 -8.047 9.450 12.365 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.569 11.193 13.862 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.321 11.059 13.060 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.095 10.535 11.374 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.791 12.136 11.723 1.00 0.00 H new ATOM 808 N GLU A 49 -8.261 8.420 9.549 1.00 0.00 N ATOM 809 CA GLU A 49 -7.537 7.520 8.670 1.00 0.00 C ATOM 810 C GLU A 49 -8.064 7.621 7.243 1.00 0.00 C ATOM 811 O GLU A 49 -7.410 7.173 6.309 1.00 0.00 O ATOM 812 CB GLU A 49 -7.671 6.070 9.150 1.00 0.00 C ATOM 813 CG GLU A 49 -7.260 5.851 10.596 1.00 0.00 C ATOM 814 CD GLU A 49 -5.816 6.215 10.858 1.00 0.00 C ATOM 815 OE1 GLU A 49 -4.921 5.417 10.507 1.00 0.00 O ATOM 816 OE2 GLU A 49 -5.572 7.292 11.433 1.00 0.00 O ATOM 0 H GLU A 49 -9.041 7.988 10.044 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.487 7.812 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.706 5.753 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.063 5.430 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.903 6.445 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.420 4.805 10.860 1.00 0.00 H new ATOM 823 N LYS A 50 -9.237 8.230 7.076 1.00 0.00 N ATOM 824 CA LYS A 50 -9.927 8.220 5.789 1.00 0.00 C ATOM 825 C LYS A 50 -9.325 9.187 4.768 1.00 0.00 C ATOM 826 O LYS A 50 -9.627 9.095 3.580 1.00 0.00 O ATOM 827 CB LYS A 50 -11.415 8.508 5.957 1.00 0.00 C ATOM 828 CG LYS A 50 -12.184 7.338 6.539 1.00 0.00 C ATOM 829 CD LYS A 50 -13.683 7.542 6.413 1.00 0.00 C ATOM 830 CE LYS A 50 -14.452 6.390 7.042 1.00 0.00 C ATOM 831 NZ LYS A 50 -15.906 6.675 7.142 1.00 0.00 N ATOM 0 H LYS A 50 -9.728 8.735 7.814 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.793 7.213 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.540 9.376 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.840 8.769 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.896 6.420 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.919 7.213 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.967 8.478 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.953 7.631 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.300 5.488 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.053 6.189 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.415 5.801 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.070 7.386 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.252 7.038 6.231 1.00 0.00 H new ATOM 845 N ARG A 51 -8.481 10.106 5.218 1.00 0.00 N ATOM 846 CA ARG A 51 -7.899 11.102 4.320 1.00 0.00 C ATOM 847 C ARG A 51 -7.090 10.440 3.190 1.00 0.00 C ATOM 848 O ARG A 51 -7.363 10.690 2.014 1.00 0.00 O ATOM 849 CB ARG A 51 -7.044 12.109 5.110 1.00 0.00 C ATOM 850 CG ARG A 51 -6.632 13.351 4.316 1.00 0.00 C ATOM 851 CD ARG A 51 -5.431 13.097 3.412 1.00 0.00 C ATOM 852 NE ARG A 51 -5.149 14.234 2.531 1.00 0.00 N ATOM 853 CZ ARG A 51 -4.223 14.222 1.567 1.00 0.00 C ATOM 854 NH1 ARG A 51 -3.421 13.175 1.426 1.00 0.00 N ATOM 855 NH2 ARG A 51 -4.084 15.272 0.763 1.00 0.00 N ATOM 0 H ARG A 51 -8.184 10.185 6.191 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.716 11.649 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.600 12.425 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.145 11.604 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.474 13.686 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.396 14.159 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.554 12.889 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.615 12.209 2.808 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.693 15.087 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.510 12.376 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.715 13.169 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.684 16.088 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.377 15.261 0.028 1.00 0.00 H new ATOM 869 N PRO A 52 -6.091 9.588 3.502 1.00 0.00 N ATOM 870 CA PRO A 52 -5.285 8.936 2.467 1.00 0.00 C ATOM 871 C PRO A 52 -6.092 8.001 1.576 1.00 0.00 C ATOM 872 O PRO A 52 -5.691 7.725 0.449 1.00 0.00 O ATOM 873 CB PRO A 52 -4.221 8.159 3.248 1.00 0.00 C ATOM 874 CG PRO A 52 -4.784 8.005 4.618 1.00 0.00 C ATOM 875 CD PRO A 52 -5.635 9.219 4.857 1.00 0.00 C ATOM 0 HA PRO A 52 -4.866 9.671 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.025 7.189 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.274 8.699 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.376 7.093 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.989 7.934 5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.474 8.998 5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.066 10.024 5.323 1.00 0.00 H new ATOM 883 N PHE A 53 -7.229 7.534 2.071 1.00 0.00 N ATOM 884 CA PHE A 53 -8.139 6.743 1.254 1.00 0.00 C ATOM 885 C PHE A 53 -8.575 7.551 0.046 1.00 0.00 C ATOM 886 O PHE A 53 -8.656 7.049 -1.074 1.00 0.00 O ATOM 887 CB PHE A 53 -9.387 6.366 2.044 1.00 0.00 C ATOM 888 CG PHE A 53 -9.199 5.270 3.038 1.00 0.00 C ATOM 889 CD1 PHE A 53 -8.479 5.478 4.197 1.00 0.00 C ATOM 890 CD2 PHE A 53 -9.773 4.037 2.822 1.00 0.00 C ATOM 891 CE1 PHE A 53 -8.329 4.473 5.128 1.00 0.00 C ATOM 892 CE2 PHE A 53 -9.626 3.025 3.747 1.00 0.00 C ATOM 893 CZ PHE A 53 -8.906 3.243 4.903 1.00 0.00 C ATOM 0 H PHE A 53 -7.543 7.688 3.029 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.614 5.839 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.749 7.252 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.167 6.069 1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.027 6.442 4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.343 3.861 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.762 4.649 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.076 2.060 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.795 2.452 5.629 1.00 0.00 H new ATOM 903 N ILE A 54 -8.824 8.823 0.287 1.00 0.00 N ATOM 904 CA ILE A 54 -9.402 9.676 -0.728 1.00 0.00 C ATOM 905 C ILE A 54 -8.290 10.159 -1.661 1.00 0.00 C ATOM 906 O ILE A 54 -8.481 10.324 -2.868 1.00 0.00 O ATOM 907 CB ILE A 54 -10.133 10.875 -0.080 1.00 0.00 C ATOM 908 CG1 ILE A 54 -11.183 10.369 0.926 1.00 0.00 C ATOM 909 CG2 ILE A 54 -10.782 11.755 -1.143 1.00 0.00 C ATOM 910 CD1 ILE A 54 -12.304 9.566 0.296 1.00 0.00 C ATOM 0 H ILE A 54 -8.635 9.286 1.176 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.137 9.112 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.401 11.482 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.686 9.753 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.612 11.224 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.290 12.591 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.015 12.135 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.505 11.168 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.002 9.246 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.829 10.184 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.889 8.690 -0.203 1.00 0.00 H new ATOM 922 N ASP A 55 -7.112 10.348 -1.078 1.00 0.00 N ATOM 923 CA ASP A 55 -5.944 10.803 -1.821 1.00 0.00 C ATOM 924 C ASP A 55 -5.408 9.687 -2.718 1.00 0.00 C ATOM 925 O ASP A 55 -4.998 9.940 -3.851 1.00 0.00 O ATOM 926 CB ASP A 55 -4.865 11.288 -0.854 1.00 0.00 C ATOM 927 CG ASP A 55 -3.734 12.026 -1.546 1.00 0.00 C ATOM 928 OD1 ASP A 55 -4.005 12.794 -2.492 1.00 0.00 O ATOM 929 OD2 ASP A 55 -2.570 11.872 -1.118 1.00 0.00 O ATOM 0 H ASP A 55 -6.940 10.192 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.237 11.636 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.319 11.945 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.457 10.433 -0.316 1.00 0.00 H new ATOM 934 N GLU A 56 -5.425 8.451 -2.213 1.00 0.00 N ATOM 935 CA GLU A 56 -5.054 7.289 -3.022 1.00 0.00 C ATOM 936 C GLU A 56 -5.979 7.163 -4.228 1.00 0.00 C ATOM 937 O GLU A 56 -5.537 6.824 -5.326 1.00 0.00 O ATOM 938 CB GLU A 56 -5.089 6.004 -2.190 1.00 0.00 C ATOM 939 CG GLU A 56 -3.761 5.656 -1.533 1.00 0.00 C ATOM 940 CD GLU A 56 -2.694 5.275 -2.544 1.00 0.00 C ATOM 941 OE1 GLU A 56 -2.023 6.185 -3.074 1.00 0.00 O ATOM 942 OE2 GLU A 56 -2.522 4.066 -2.811 1.00 0.00 O ATOM 0 H GLU A 56 -5.690 8.230 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.033 7.437 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.850 6.105 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.394 5.177 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.415 6.508 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.909 4.830 -0.837 1.00 0.00 H new ATOM 949 N ALA A 57 -7.265 7.446 -4.020 1.00 0.00 N ATOM 950 CA ALA A 57 -8.230 7.474 -5.115 1.00 0.00 C ATOM 951 C ALA A 57 -7.807 8.482 -6.181 1.00 0.00 C ATOM 952 O ALA A 57 -7.967 8.242 -7.378 1.00 0.00 O ATOM 953 CB ALA A 57 -9.622 7.804 -4.591 1.00 0.00 C ATOM 0 H ALA A 57 -7.660 7.659 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.258 6.485 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.329 7.821 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.928 7.047 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.607 8.781 -4.108 1.00 0.00 H new ATOM 959 N LYS A 58 -7.256 9.608 -5.735 1.00 0.00 N ATOM 960 CA LYS A 58 -6.744 10.627 -6.647 1.00 0.00 C ATOM 961 C LYS A 58 -5.520 10.126 -7.411 1.00 0.00 C ATOM 962 O LYS A 58 -5.336 10.466 -8.579 1.00 0.00 O ATOM 963 CB LYS A 58 -6.408 11.908 -5.886 1.00 0.00 C ATOM 964 CG LYS A 58 -7.636 12.676 -5.428 1.00 0.00 C ATOM 965 CD LYS A 58 -8.418 13.221 -6.614 1.00 0.00 C ATOM 966 CE LYS A 58 -9.641 14.004 -6.166 1.00 0.00 C ATOM 967 NZ LYS A 58 -10.649 13.140 -5.493 1.00 0.00 N ATOM 0 H LYS A 58 -7.153 9.838 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.527 10.845 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.800 11.657 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.802 12.552 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.277 12.023 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.333 13.498 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.772 13.864 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.728 12.396 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.333 14.797 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.098 14.486 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.519 13.686 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.864 12.322 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.270 12.808 -4.583 1.00 0.00 H new ATOM 981 N ARG A 59 -4.690 9.310 -6.759 1.00 0.00 N ATOM 982 CA ARG A 59 -3.542 8.707 -7.434 1.00 0.00 C ATOM 983 C ARG A 59 -4.011 7.759 -8.526 1.00 0.00 C ATOM 984 O ARG A 59 -3.484 7.770 -9.637 1.00 0.00 O ATOM 985 CB ARG A 59 -2.633 7.951 -6.460 1.00 0.00 C ATOM 986 CG ARG A 59 -1.697 8.844 -5.667 1.00 0.00 C ATOM 987 CD ARG A 59 -2.122 8.950 -4.219 1.00 0.00 C ATOM 988 NE ARG A 59 -1.222 9.796 -3.445 1.00 0.00 N ATOM 989 CZ ARG A 59 -0.595 9.401 -2.338 1.00 0.00 C ATOM 990 NH1 ARG A 59 -0.721 8.152 -1.903 1.00 0.00 N ATOM 991 NH2 ARG A 59 0.179 10.253 -1.680 1.00 0.00 N ATOM 0 H ARG A 59 -4.790 9.054 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.964 9.521 -7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.254 7.385 -5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.040 7.228 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.683 8.448 -5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.676 9.838 -6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.133 9.354 -4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.153 7.954 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.062 10.749 -3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.301 7.489 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.238 7.856 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.293 11.207 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.661 9.954 -0.832 1.00 0.00 H new ATOM 1005 N LEU A 60 -5.012 6.944 -8.203 1.00 0.00 N ATOM 1006 CA LEU A 60 -5.598 6.023 -9.169 1.00 0.00 C ATOM 1007 C LEU A 60 -6.162 6.799 -10.353 1.00 0.00 C ATOM 1008 O LEU A 60 -6.058 6.372 -11.502 1.00 0.00 O ATOM 1009 CB LEU A 60 -6.710 5.199 -8.514 1.00 0.00 C ATOM 1010 CG LEU A 60 -6.330 4.500 -7.204 1.00 0.00 C ATOM 1011 CD1 LEU A 60 -7.517 3.725 -6.656 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -5.137 3.574 -7.404 1.00 0.00 C ATOM 0 H LEU A 60 -5.435 6.904 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.819 5.347 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.559 5.855 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.045 4.443 -9.225 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.046 5.265 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.233 3.234 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.343 4.411 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.828 2.974 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.889 3.091 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.386 2.815 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.281 4.153 -7.751 1.00 0.00 H new ATOM 1024 N ARG A 61 -6.752 7.949 -10.051 1.00 0.00 N ATOM 1025 CA ARG A 61 -7.319 8.822 -11.067 1.00 0.00 C ATOM 1026 C ARG A 61 -6.217 9.363 -11.978 1.00 0.00 C ATOM 1027 O ARG A 61 -6.330 9.319 -13.205 1.00 0.00 O ATOM 1028 CB ARG A 61 -8.058 9.979 -10.388 1.00 0.00 C ATOM 1029 CG ARG A 61 -9.075 10.681 -11.271 1.00 0.00 C ATOM 1030 CD ARG A 61 -9.670 11.888 -10.563 1.00 0.00 C ATOM 1031 NE ARG A 61 -10.934 12.316 -11.162 1.00 0.00 N ATOM 1032 CZ ARG A 61 -11.233 13.582 -11.457 1.00 0.00 C ATOM 1033 NH1 ARG A 61 -10.327 14.544 -11.306 1.00 0.00 N ATOM 1034 NH2 ARG A 61 -12.443 13.879 -11.916 1.00 0.00 N ATOM 0 H ARG A 61 -6.850 8.300 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.021 8.253 -11.677 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.566 9.599 -9.502 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.326 10.711 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.599 10.997 -12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.869 9.985 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.832 11.647 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.958 12.713 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.631 11.601 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.394 14.317 -10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.565 15.509 -11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.136 13.141 -12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.679 14.845 -12.144 1.00 0.00 H new ATOM 1048 N ALA A 62 -5.147 9.857 -11.363 1.00 0.00 N ATOM 1049 CA ALA A 62 -4.025 10.434 -12.094 1.00 0.00 C ATOM 1050 C ALA A 62 -3.309 9.386 -12.941 1.00 0.00 C ATOM 1051 O ALA A 62 -2.973 9.635 -14.096 1.00 0.00 O ATOM 1052 CB ALA A 62 -3.050 11.093 -11.129 1.00 0.00 C ATOM 0 H ALA A 62 -5.034 9.869 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.422 11.191 -12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.217 11.520 -11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.561 11.883 -10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.673 10.349 -10.428 1.00 0.00 H new ATOM 1058 N LEU A 63 -3.086 8.214 -12.368 1.00 0.00 N ATOM 1059 CA LEU A 63 -2.427 7.130 -13.082 1.00 0.00 C ATOM 1060 C LEU A 63 -3.250 6.674 -14.267 1.00 0.00 C ATOM 1061 O LEU A 63 -2.704 6.293 -15.303 1.00 0.00 O ATOM 1062 CB LEU A 63 -2.148 5.948 -12.148 1.00 0.00 C ATOM 1063 CG LEU A 63 -1.154 6.226 -11.016 1.00 0.00 C ATOM 1064 CD1 LEU A 63 -0.994 4.994 -10.137 1.00 0.00 C ATOM 1065 CD2 LEU A 63 0.194 6.664 -11.575 1.00 0.00 C ATOM 0 H LEU A 63 -3.352 7.988 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.476 7.513 -13.452 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.091 5.623 -11.709 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.771 5.117 -12.744 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.548 7.039 -10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.285 5.207 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.959 4.728 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.624 4.164 -10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.884 6.856 -10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.598 5.876 -12.211 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.066 7.574 -12.161 1.00 0.00 H new ATOM 1077 N HIS A 64 -4.559 6.729 -14.130 1.00 0.00 N ATOM 1078 CA HIS A 64 -5.421 6.269 -15.193 1.00 0.00 C ATOM 1079 C HIS A 64 -5.552 7.319 -16.295 1.00 0.00 C ATOM 1080 O HIS A 64 -5.760 6.978 -17.458 1.00 0.00 O ATOM 1081 CB HIS A 64 -6.796 5.864 -14.652 1.00 0.00 C ATOM 1082 CG HIS A 64 -7.708 5.286 -15.695 1.00 0.00 C ATOM 1083 ND1 HIS A 64 -7.424 4.128 -16.392 1.00 0.00 N ATOM 1084 CD2 HIS A 64 -8.901 5.720 -16.167 1.00 0.00 C ATOM 1085 CE1 HIS A 64 -8.402 3.879 -17.244 1.00 0.00 C ATOM 1086 NE2 HIS A 64 -9.310 4.829 -17.127 1.00 0.00 N ATOM 0 H HIS A 64 -5.042 7.083 -13.304 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.960 5.384 -15.632 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.662 5.134 -13.854 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.274 6.737 -14.208 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.432 6.604 -15.847 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.450 3.040 -17.922 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.176 4.891 -17.663 1.00 0.00 H new ATOM 1095 N MET A 65 -5.421 8.592 -15.945 1.00 0.00 N ATOM 1096 CA MET A 65 -5.498 9.643 -16.952 1.00 0.00 C ATOM 1097 C MET A 65 -4.197 9.708 -17.746 1.00 0.00 C ATOM 1098 O MET A 65 -4.189 10.141 -18.895 1.00 0.00 O ATOM 1099 CB MET A 65 -5.827 11.009 -16.331 1.00 0.00 C ATOM 1100 CG MET A 65 -4.698 11.633 -15.526 1.00 0.00 C ATOM 1101 SD MET A 65 -5.147 13.232 -14.825 1.00 0.00 S ATOM 1102 CE MET A 65 -6.541 12.775 -13.795 1.00 0.00 C ATOM 0 H MET A 65 -5.264 8.918 -14.991 1.00 0.00 H new ATOM 0 HA MET A 65 -6.314 9.394 -17.630 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.108 11.696 -17.129 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.697 10.898 -15.684 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.413 10.955 -14.722 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.824 11.754 -16.166 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.476 13.299 -12.841 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.469 13.049 -14.297 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.527 11.699 -13.620 1.00 0.00 H new ATOM 1112 N LYS A 66 -3.104 9.238 -17.142 1.00 0.00 N ATOM 1113 CA LYS A 66 -1.812 9.192 -17.828 1.00 0.00 C ATOM 1114 C LYS A 66 -1.760 8.029 -18.818 1.00 0.00 C ATOM 1115 O LYS A 66 -0.768 7.842 -19.524 1.00 0.00 O ATOM 1116 CB LYS A 66 -0.656 9.067 -16.828 1.00 0.00 C ATOM 1117 CG LYS A 66 -0.502 10.264 -15.907 1.00 0.00 C ATOM 1118 CD LYS A 66 0.761 10.159 -15.063 1.00 0.00 C ATOM 1119 CE LYS A 66 0.861 11.295 -14.059 1.00 0.00 C ATOM 1120 NZ LYS A 66 2.168 11.292 -13.350 1.00 0.00 N ATOM 0 H LYS A 66 -3.087 8.886 -16.185 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.702 10.129 -18.374 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.808 8.173 -16.223 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.273 8.924 -17.379 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.470 11.179 -16.499 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.372 10.337 -15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.768 9.205 -14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.636 10.170 -15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.729 12.247 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.053 11.210 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.198 12.082 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.284 10.394 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.938 11.399 -14.041 1.00 0.00 H new ATOM 1134 N GLU A 67 -2.836 7.251 -18.863 1.00 0.00 N ATOM 1135 CA GLU A 67 -2.946 6.123 -19.782 1.00 0.00 C ATOM 1136 C GLU A 67 -3.069 6.621 -21.219 1.00 0.00 C ATOM 1137 O GLU A 67 -2.753 5.909 -22.175 1.00 0.00 O ATOM 1138 CB GLU A 67 -4.175 5.287 -19.418 1.00 0.00 C ATOM 1139 CG GLU A 67 -4.248 3.941 -20.115 1.00 0.00 C ATOM 1140 CD GLU A 67 -3.195 2.978 -19.618 1.00 0.00 C ATOM 1141 OE1 GLU A 67 -3.161 2.709 -18.399 1.00 0.00 O ATOM 1142 OE2 GLU A 67 -2.409 2.465 -20.442 1.00 0.00 O ATOM 0 H GLU A 67 -3.653 7.383 -18.267 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.049 5.509 -19.700 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.182 5.125 -18.340 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.072 5.857 -19.661 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.236 3.507 -19.959 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.128 4.084 -21.189 1.00 0.00 H new ATOM 1149 N HIS A 68 -3.517 7.862 -21.354 1.00 0.00 N ATOM 1150 CA HIS A 68 -3.790 8.456 -22.653 1.00 0.00 C ATOM 1151 C HIS A 68 -3.343 9.912 -22.671 1.00 0.00 C ATOM 1152 O HIS A 68 -3.072 10.488 -21.617 1.00 0.00 O ATOM 1153 CB HIS A 68 -5.292 8.356 -22.979 1.00 0.00 C ATOM 1154 CG HIS A 68 -6.191 8.907 -21.911 1.00 0.00 C ATOM 1155 ND1 HIS A 68 -6.415 10.256 -21.721 1.00 0.00 N ATOM 1156 CD2 HIS A 68 -6.924 8.270 -20.968 1.00 0.00 C ATOM 1157 CE1 HIS A 68 -7.246 10.423 -20.707 1.00 0.00 C ATOM 1158 NE2 HIS A 68 -7.567 9.234 -20.235 1.00 0.00 N ATOM 0 H HIS A 68 -3.701 8.483 -20.566 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.230 7.909 -23.412 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.486 8.887 -23.911 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.547 7.310 -23.149 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -6.004 11.006 -22.276 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.990 7.202 -20.821 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.601 11.371 -20.330 1.00 0.00 H new ATOM 1167 N PRO A 69 -3.240 10.520 -23.864 1.00 0.00 N ATOM 1168 CA PRO A 69 -2.928 11.946 -24.003 1.00 0.00 C ATOM 1169 C PRO A 69 -3.927 12.828 -23.259 1.00 0.00 C ATOM 1170 O PRO A 69 -5.047 12.396 -22.961 1.00 0.00 O ATOM 1171 CB PRO A 69 -3.030 12.195 -25.509 1.00 0.00 C ATOM 1172 CG PRO A 69 -2.802 10.863 -26.131 1.00 0.00 C ATOM 1173 CD PRO A 69 -3.388 9.862 -25.178 1.00 0.00 C ATOM 0 HA PRO A 69 -1.952 12.188 -23.583 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.007 12.595 -25.778 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.286 12.919 -25.841 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.281 10.800 -27.108 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.739 10.680 -26.285 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.433 9.651 -25.407 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.856 8.912 -25.215 1.00 0.00 H new ATOM 1181 N ASP A 70 -3.526 14.060 -22.975 1.00 0.00 N ATOM 1182 CA ASP A 70 -4.387 14.998 -22.259 1.00 0.00 C ATOM 1183 C ASP A 70 -5.483 15.520 -23.171 1.00 0.00 C ATOM 1184 O ASP A 70 -6.470 16.093 -22.706 1.00 0.00 O ATOM 1185 CB ASP A 70 -3.578 16.176 -21.699 1.00 0.00 C ATOM 1186 CG ASP A 70 -2.673 15.781 -20.549 1.00 0.00 C ATOM 1187 OD1 ASP A 70 -1.507 15.411 -20.804 1.00 0.00 O ATOM 1188 OD2 ASP A 70 -3.113 15.857 -19.382 1.00 0.00 O ATOM 0 H ASP A 70 -2.612 14.435 -23.228 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.840 14.460 -21.426 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.974 16.607 -22.498 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.264 16.954 -21.363 1.00 0.00 H new ATOM 1193 N TYR A 71 -5.292 15.314 -24.475 1.00 0.00 N ATOM 1194 CA TYR A 71 -6.254 15.723 -25.490 1.00 0.00 C ATOM 1195 C TYR A 71 -6.345 17.247 -25.546 1.00 0.00 C ATOM 1196 O TYR A 71 -5.475 17.950 -25.023 1.00 0.00 O ATOM 1197 CB TYR A 71 -7.628 15.077 -25.221 1.00 0.00 C ATOM 1198 CG TYR A 71 -8.535 15.031 -26.432 1.00 0.00 C ATOM 1199 CD1 TYR A 71 -8.129 14.398 -27.598 1.00 0.00 C ATOM 1200 CD2 TYR A 71 -9.787 15.630 -26.411 1.00 0.00 C ATOM 1201 CE1 TYR A 71 -8.948 14.361 -28.709 1.00 0.00 C ATOM 1202 CE2 TYR A 71 -10.612 15.598 -27.518 1.00 0.00 C ATOM 1203 CZ TYR A 71 -10.188 14.962 -28.665 1.00 0.00 C ATOM 1204 OH TYR A 71 -11.005 14.933 -29.771 1.00 0.00 O ATOM 0 H TYR A 71 -4.462 14.857 -24.854 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.914 15.375 -26.465 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.475 14.061 -24.856 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.128 15.630 -24.426 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.158 13.927 -27.637 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.122 16.130 -25.514 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.619 13.863 -29.609 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.584 16.068 -27.485 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.842 15.401 -29.571 1.00 0.00 H new ATOM 1214 N LYS A 72 -7.376 17.743 -26.212 1.00 0.00 N ATOM 1215 CA LYS A 72 -7.587 19.177 -26.371 1.00 0.00 C ATOM 1216 C LYS A 72 -7.782 19.865 -25.028 1.00 0.00 C ATOM 1217 O LYS A 72 -7.829 19.210 -23.983 1.00 0.00 O ATOM 1218 CB LYS A 72 -8.782 19.440 -27.290 1.00 0.00 C ATOM 1219 CG LYS A 72 -8.591 18.911 -28.704 1.00 0.00 C ATOM 1220 CD LYS A 72 -7.392 19.555 -29.385 1.00 0.00 C ATOM 1221 CE LYS A 72 -7.205 19.041 -30.802 1.00 0.00 C ATOM 1222 NZ LYS A 72 -8.400 19.297 -31.648 1.00 0.00 N ATOM 0 H LYS A 72 -8.090 17.166 -26.657 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.692 19.598 -26.829 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.671 18.982 -26.857 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.966 20.513 -27.334 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.456 17.830 -28.674 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.490 19.103 -29.290 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.523 20.637 -29.405 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.492 19.354 -28.804 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.334 19.520 -31.250 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.002 17.970 -30.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.150 19.170 -32.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.156 18.630 -31.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.732 20.271 -31.495 1.00 0.00 H new ATOM 1236 N TYR A 73 -7.898 21.188 -25.073 1.00 0.00 N ATOM 1237 CA TYR A 73 -7.879 22.009 -23.870 1.00 0.00 C ATOM 1238 C TYR A 73 -8.912 21.542 -22.845 1.00 0.00 C ATOM 1239 O TYR A 73 -10.123 21.594 -23.071 1.00 0.00 O ATOM 1240 CB TYR A 73 -8.082 23.496 -24.220 1.00 0.00 C ATOM 1241 CG TYR A 73 -9.489 23.871 -24.644 1.00 0.00 C ATOM 1242 CD1 TYR A 73 -10.000 23.485 -25.878 1.00 0.00 C ATOM 1243 CD2 TYR A 73 -10.306 24.615 -23.799 1.00 0.00 C ATOM 1244 CE1 TYR A 73 -11.285 23.832 -26.255 1.00 0.00 C ATOM 1245 CE2 TYR A 73 -11.588 24.962 -24.168 1.00 0.00 C ATOM 1246 CZ TYR A 73 -12.073 24.569 -25.395 1.00 0.00 C ATOM 1247 OH TYR A 73 -13.355 24.918 -25.766 1.00 0.00 O ATOM 0 H TYR A 73 -8.007 21.717 -25.938 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.896 21.894 -23.412 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.808 24.098 -23.354 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.394 23.761 -25.023 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.385 22.906 -26.552 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.929 24.926 -22.836 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.669 23.528 -27.217 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.208 25.539 -23.498 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.775 25.435 -25.047 1.00 0.00 H new ATOM 1257 N ARG A 74 -8.413 21.029 -21.736 1.00 0.00 N ATOM 1258 CA ARG A 74 -9.254 20.704 -20.598 1.00 0.00 C ATOM 1259 C ARG A 74 -8.887 21.608 -19.430 1.00 0.00 C ATOM 1260 O ARG A 74 -7.796 22.184 -19.419 1.00 0.00 O ATOM 1261 CB ARG A 74 -9.110 19.226 -20.203 1.00 0.00 C ATOM 1262 CG ARG A 74 -7.709 18.820 -19.776 1.00 0.00 C ATOM 1263 CD ARG A 74 -7.700 17.416 -19.189 1.00 0.00 C ATOM 1264 NE ARG A 74 -6.356 16.973 -18.819 1.00 0.00 N ATOM 1265 CZ ARG A 74 -6.001 16.603 -17.587 1.00 0.00 C ATOM 1266 NH1 ARG A 74 -6.863 16.699 -16.581 1.00 0.00 N ATOM 1267 NH2 ARG A 74 -4.781 16.145 -17.361 1.00 0.00 N ATOM 0 H ARG A 74 -7.423 20.827 -21.598 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.296 20.868 -20.872 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.801 19.012 -19.387 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.412 18.607 -21.047 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.037 18.863 -20.633 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.331 19.528 -19.039 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.343 17.389 -18.309 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.122 16.720 -19.914 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.645 16.945 -19.549 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.803 17.057 -16.748 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.585 16.414 -15.642 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.112 16.075 -18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.509 15.862 -16.420 1.00 0.00 H new ATOM 1281 N PRO A 75 -9.792 21.777 -18.449 1.00 0.00 N ATOM 1282 CA PRO A 75 -9.516 22.584 -17.256 1.00 0.00 C ATOM 1283 C PRO A 75 -8.281 22.090 -16.505 1.00 0.00 C ATOM 1284 O PRO A 75 -8.342 21.127 -15.741 1.00 0.00 O ATOM 1285 CB PRO A 75 -10.777 22.418 -16.402 1.00 0.00 C ATOM 1286 CG PRO A 75 -11.843 22.040 -17.370 1.00 0.00 C ATOM 1287 CD PRO A 75 -11.157 21.218 -18.426 1.00 0.00 C ATOM 0 HA PRO A 75 -9.301 23.623 -17.505 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.642 21.649 -15.642 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.026 23.342 -15.880 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.633 21.470 -16.881 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.310 22.924 -17.804 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.154 20.158 -18.173 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.648 21.314 -19.394 1.00 0.00 H new ATOM 1295 N ARG A 76 -7.155 22.738 -16.768 1.00 0.00 N ATOM 1296 CA ARG A 76 -5.891 22.368 -16.144 1.00 0.00 C ATOM 1297 C ARG A 76 -5.740 23.055 -14.794 1.00 0.00 C ATOM 1298 O ARG A 76 -4.953 22.626 -13.949 1.00 0.00 O ATOM 1299 CB ARG A 76 -4.727 22.735 -17.066 1.00 0.00 C ATOM 1300 CG ARG A 76 -4.603 24.225 -17.336 1.00 0.00 C ATOM 1301 CD ARG A 76 -3.533 24.518 -18.372 1.00 0.00 C ATOM 1302 NE ARG A 76 -2.264 23.865 -18.059 1.00 0.00 N ATOM 1303 CZ ARG A 76 -1.081 24.289 -18.494 1.00 0.00 C ATOM 1304 NH1 ARG A 76 -0.987 25.394 -19.225 1.00 0.00 N ATOM 1305 NH2 ARG A 76 0.013 23.606 -18.186 1.00 0.00 N ATOM 0 H ARG A 76 -7.090 23.526 -17.412 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.883 21.290 -15.980 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.798 22.377 -16.622 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.849 22.212 -18.015 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.561 24.614 -17.682 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.364 24.745 -16.408 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.878 24.186 -19.351 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.378 25.595 -18.437 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.287 23.032 -17.470 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.826 25.925 -19.457 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.075 25.712 -19.554 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.056 22.761 -17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.924 23.926 -18.516 1.00 0.00 H new ATOM 1319 N ARG A 77 -6.492 24.129 -14.611 1.00 0.00 N ATOM 1320 CA ARG A 77 -6.536 24.842 -13.346 1.00 0.00 C ATOM 1321 C ARG A 77 -7.886 25.527 -13.207 1.00 0.00 C ATOM 1322 O ARG A 77 -8.501 25.899 -14.208 1.00 0.00 O ATOM 1323 CB ARG A 77 -5.394 25.865 -13.246 1.00 0.00 C ATOM 1324 CG ARG A 77 -5.434 26.964 -14.299 1.00 0.00 C ATOM 1325 CD ARG A 77 -4.272 27.928 -14.119 1.00 0.00 C ATOM 1326 NE ARG A 77 -4.288 29.020 -15.092 1.00 0.00 N ATOM 1327 CZ ARG A 77 -3.261 29.850 -15.296 1.00 0.00 C ATOM 1328 NH1 ARG A 77 -2.131 29.697 -14.612 1.00 0.00 N ATOM 1329 NH2 ARG A 77 -3.361 30.833 -16.180 1.00 0.00 N ATOM 0 H ARG A 77 -7.088 24.530 -15.335 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.406 24.129 -12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.421 26.325 -12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.443 25.338 -13.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.394 26.522 -15.294 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.377 27.507 -14.229 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.303 28.344 -13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.334 27.380 -14.209 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.133 29.156 -15.647 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.046 28.944 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.349 30.332 -14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.225 30.958 -16.708 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.574 31.464 -16.332 1.00 0.00 H new ATOM 1343 N LYS A 78 -8.356 25.673 -11.981 1.00 0.00 N ATOM 1344 CA LYS A 78 -9.659 26.274 -11.744 1.00 0.00 C ATOM 1345 C LYS A 78 -9.512 27.688 -11.207 1.00 0.00 C ATOM 1346 O LYS A 78 -10.224 28.590 -11.641 1.00 0.00 O ATOM 1347 CB LYS A 78 -10.481 25.431 -10.765 1.00 0.00 C ATOM 1348 CG LYS A 78 -11.897 25.951 -10.561 1.00 0.00 C ATOM 1349 CD LYS A 78 -12.663 25.128 -9.539 1.00 0.00 C ATOM 1350 CE LYS A 78 -14.068 25.675 -9.328 1.00 0.00 C ATOM 1351 NZ LYS A 78 -14.893 25.590 -10.564 1.00 0.00 N ATOM 0 H LYS A 78 -7.859 25.386 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.184 26.312 -12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.528 24.405 -11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.970 25.403 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.858 26.990 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.430 25.935 -11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.720 24.092 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.124 25.128 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.557 25.119 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.007 26.714 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.886 25.795 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.549 26.282 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.821 24.633 -10.964 1.00 0.00 H new ATOM 1365 N THR A 79 -8.574 27.858 -10.271 1.00 0.00 N ATOM 1366 CA THR A 79 -8.330 29.132 -9.587 1.00 0.00 C ATOM 1367 C THR A 79 -9.638 29.743 -9.048 1.00 0.00 C ATOM 1368 O THR A 79 -10.647 29.047 -8.906 1.00 0.00 O ATOM 1369 CB THR A 79 -7.547 30.142 -10.485 1.00 0.00 C ATOM 1370 OG1 THR A 79 -6.946 31.153 -9.667 1.00 0.00 O ATOM 1371 CG2 THR A 79 -8.429 30.811 -11.534 1.00 0.00 C ATOM 0 H THR A 79 -7.956 27.107 -9.963 1.00 0.00 H new ATOM 0 HA THR A 79 -7.693 28.916 -8.729 1.00 0.00 H new ATOM 0 HB THR A 79 -6.786 29.568 -11.013 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.455 31.783 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.829 31.501 -12.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.859 30.051 -12.187 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.231 31.359 -11.039 1.00 0.00 H new ATOM 1379 N LYS A 80 -9.601 31.023 -8.693 1.00 0.00 N ATOM 1380 CA LYS A 80 -10.774 31.706 -8.160 1.00 0.00 C ATOM 1381 C LYS A 80 -11.911 31.742 -9.179 1.00 0.00 C ATOM 1382 O LYS A 80 -13.023 31.294 -8.889 1.00 0.00 O ATOM 1383 CB LYS A 80 -10.421 33.134 -7.736 1.00 0.00 C ATOM 1384 CG LYS A 80 -9.518 33.212 -6.517 1.00 0.00 C ATOM 1385 CD LYS A 80 -9.186 34.654 -6.136 1.00 0.00 C ATOM 1386 CE LYS A 80 -10.389 35.419 -5.582 1.00 0.00 C ATOM 1387 NZ LYS A 80 -11.382 35.783 -6.634 1.00 0.00 N ATOM 0 H LYS A 80 -8.769 31.609 -8.765 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.109 31.143 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.933 33.639 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.342 33.678 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.003 32.718 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.594 32.669 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.389 34.653 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.803 35.176 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.880 34.812 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.040 36.327 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.665 36.777 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.955 35.654 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.219 35.172 -6.547 1.00 0.00 H new ATOM 1401 N THR A 81 -11.605 32.263 -10.366 1.00 0.00 N ATOM 1402 CA THR A 81 -12.597 32.479 -11.413 1.00 0.00 C ATOM 1403 C THR A 81 -13.519 33.647 -11.047 1.00 0.00 C ATOM 1404 O THR A 81 -14.381 33.486 -10.157 1.00 0.00 O ATOM 1405 CB THR A 81 -13.429 31.209 -11.703 1.00 0.00 C ATOM 1406 OG1 THR A 81 -12.558 30.114 -12.027 1.00 0.00 O ATOM 1407 CG2 THR A 81 -14.390 31.443 -12.858 1.00 0.00 C ATOM 1408 OXT THR A 81 -13.363 34.735 -11.646 1.00 0.00 O ATOM 0 H THR A 81 -10.661 32.547 -10.627 1.00 0.00 H new ATOM 0 HA THR A 81 -12.052 32.725 -12.324 1.00 0.00 H new ATOM 0 HB THR A 81 -14.004 30.970 -10.808 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.028 29.874 -11.239 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.964 30.535 -13.043 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.070 32.257 -12.607 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.826 31.704 -13.753 1.00 0.00 H new TER 1416 THR A 81