USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -116:sc= 0.115 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.95 K(o=-2.8,f=-5.8!) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.781 K(o=1.3,f=-0.33) USER MOD Set 2.2: A 31 THR OG1 : rot -50:sc= 0.497 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.342 K(o=0.65,f=-1.3) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -166:sc= 0.308 (180deg=-0.407) USER MOD Set 4.1: A 0 HIS : no HD1:sc= 0.62 K(o=1.3,f=-0.22) USER MOD Set 4.2: A -1 SER OG : rot 71:sc= 0.713 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.148 (180deg=-0.695) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 GLY N :NH3+ -132:sc= 0.0121 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -6.63! C(o=-6.6!,f=-10!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 22 THR OG1 : rot 26:sc= 0.255 USER MOD Single : A 25 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0456 (180deg=-0.235) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 130:sc= -2.31! (180deg=-3.81!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -2.48! (180deg=-4.48!) USER MOD Single : A 48 SER OG : rot -129:sc= -2.21! USER MOD Single : A 56 CYS SG : rot 26:sc= -2.32! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -162:sc= -0.118 (180deg=-0.619) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc=-0.00519 (180deg=-0.146) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 86 HIS : no HE2:sc= -5.09! C(o=-5.1!,f=-10!) USER MOD Single : A 92 TYR OH : rot 130:sc= -1.07 USER MOD Single : A 93 THR OG1 : rot -120:sc= -3.03! USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -1.53! (180deg=-2.17!) USER MOD Single : A 103 ASN :FLIP amide:sc= -4.75! C(o=-6.4!,f=-4.8!) USER MOD Single : A 106 TYR OH : rot 30:sc= -1.29 USER MOD Single : A 107 THR OG1 : rot 128:sc= 0.481 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.189 F(o=-2.8!,f=-0.19) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -8.290 -20.937 2.249 1.00 0.00 N ATOM 2 CA GLY A -2 -7.199 -20.864 3.259 1.00 0.00 C ATOM 3 C GLY A -2 -7.672 -21.228 4.652 1.00 0.00 C ATOM 4 O GLY A -2 -8.538 -22.087 4.817 1.00 0.00 O ATOM 0 H1 GLY A -2 -7.959 -21.469 1.419 1.00 0.00 H new ATOM 0 H2 GLY A -2 -9.114 -21.418 2.662 1.00 0.00 H new ATOM 0 H3 GLY A -2 -8.560 -19.975 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -6.392 -21.535 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -6.786 -19.855 3.271 1.00 0.00 H new ATOM 10 N SER A -1 -7.103 -20.571 5.659 1.00 0.00 N ATOM 11 CA SER A -1 -7.471 -20.829 7.047 1.00 0.00 C ATOM 12 C SER A -1 -8.573 -19.878 7.503 1.00 0.00 C ATOM 13 O SER A -1 -9.322 -20.181 8.432 1.00 0.00 O ATOM 14 CB SER A -1 -6.249 -20.685 7.955 1.00 0.00 C ATOM 15 OG SER A -1 -5.703 -19.380 7.875 1.00 0.00 O ATOM 0 H SER A -1 -6.385 -19.856 5.539 1.00 0.00 H new ATOM 0 HA SER A -1 -7.846 -21.850 7.114 1.00 0.00 H new ATOM 0 HB2 SER A -1 -6.531 -20.902 8.985 1.00 0.00 H new ATOM 0 HB3 SER A -1 -5.493 -21.417 7.670 1.00 0.00 H new ATOM 0 HG SER A -1 -6.308 -18.745 8.312 1.00 0.00 H new ATOM 21 N HIS A 0 -8.666 -18.728 6.843 1.00 0.00 N ATOM 22 CA HIS A 0 -9.677 -17.732 7.180 1.00 0.00 C ATOM 23 C HIS A 0 -10.482 -17.336 5.947 1.00 0.00 C ATOM 24 O HIS A 0 -10.055 -17.562 4.815 1.00 0.00 O ATOM 25 CB HIS A 0 -9.018 -16.495 7.792 1.00 0.00 C ATOM 26 CG HIS A 0 -8.257 -16.781 9.049 1.00 0.00 C ATOM 27 ND1 HIS A 0 -6.883 -16.899 9.087 1.00 0.00 N ATOM 28 CD2 HIS A 0 -8.684 -16.972 10.321 1.00 0.00 C ATOM 29 CE1 HIS A 0 -6.499 -17.150 10.326 1.00 0.00 C ATOM 30 NE2 HIS A 0 -7.572 -17.198 11.093 1.00 0.00 N ATOM 0 H HIS A 0 -8.054 -18.463 6.072 1.00 0.00 H new ATOM 0 HA HIS A 0 -10.357 -18.172 7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -8.341 -16.054 7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -9.786 -15.751 8.004 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -9.708 -16.950 10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -5.480 -17.292 10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -7.574 -17.375 12.098 1.00 0.00 H new ATOM 39 N MET A 1 -11.650 -16.744 6.174 1.00 0.00 N ATOM 40 CA MET A 1 -12.517 -16.316 5.083 1.00 0.00 C ATOM 41 C MET A 1 -12.031 -14.999 4.486 1.00 0.00 C ATOM 42 O MET A 1 -10.984 -14.479 4.874 1.00 0.00 O ATOM 43 CB MET A 1 -13.957 -16.164 5.577 1.00 0.00 C ATOM 44 CG MET A 1 -14.552 -17.452 6.123 1.00 0.00 C ATOM 45 SD MET A 1 -16.254 -17.252 6.682 1.00 0.00 S ATOM 46 CE MET A 1 -16.046 -16.043 7.987 1.00 0.00 C ATOM 0 H MET A 1 -12.018 -16.550 7.105 1.00 0.00 H new ATOM 0 HA MET A 1 -12.485 -17.080 4.306 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.987 -15.401 6.355 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.578 -15.806 4.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.516 -18.220 5.350 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.941 -17.806 6.953 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.924 -16.050 8.633 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.162 -16.290 8.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.925 -15.052 7.549 1.00 0.00 H new ATOM 56 N ILE A 2 -12.798 -14.463 3.542 1.00 0.00 N ATOM 57 CA ILE A 2 -12.445 -13.208 2.890 1.00 0.00 C ATOM 58 C ILE A 2 -12.730 -12.016 3.798 1.00 0.00 C ATOM 59 O ILE A 2 -12.407 -10.876 3.462 1.00 0.00 O ATOM 60 CB ILE A 2 -13.213 -13.026 1.567 1.00 0.00 C ATOM 61 CG1 ILE A 2 -14.724 -13.064 1.818 1.00 0.00 C ATOM 62 CG2 ILE A 2 -12.806 -14.100 0.569 1.00 0.00 C ATOM 63 CD1 ILE A 2 -15.554 -12.759 0.589 1.00 0.00 C ATOM 0 H ILE A 2 -13.669 -14.879 3.212 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.377 -13.253 2.678 1.00 0.00 H new ATOM 0 HB ILE A 2 -12.961 -12.053 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -14.996 -14.050 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.971 -12.346 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -13.356 -13.959 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.736 -14.027 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.033 -15.084 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -16.613 -12.805 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.311 -11.761 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.336 -13.492 -0.188 1.00 0.00 H new ATOM 75 N ALA A 3 -13.336 -12.286 4.950 1.00 0.00 N ATOM 76 CA ALA A 3 -13.663 -11.235 5.907 1.00 0.00 C ATOM 77 C ALA A 3 -13.076 -11.542 7.284 1.00 0.00 C ATOM 78 O ALA A 3 -12.995 -12.704 7.684 1.00 0.00 O ATOM 79 CB ALA A 3 -15.171 -11.060 6.001 1.00 0.00 C ATOM 0 H ALA A 3 -13.610 -13.224 5.243 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.221 -10.304 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.402 -10.273 6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.567 -10.787 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.626 -11.995 6.329 1.00 0.00 H new ATOM 85 N PRO A 4 -12.659 -10.501 8.029 1.00 0.00 N ATOM 86 CA PRO A 4 -12.078 -10.670 9.367 1.00 0.00 C ATOM 87 C PRO A 4 -13.054 -11.325 10.339 1.00 0.00 C ATOM 88 O PRO A 4 -14.254 -11.400 10.075 1.00 0.00 O ATOM 89 CB PRO A 4 -11.764 -9.236 9.815 1.00 0.00 C ATOM 90 CG PRO A 4 -11.728 -8.435 8.558 1.00 0.00 C ATOM 91 CD PRO A 4 -12.713 -9.084 7.630 1.00 0.00 C ATOM 0 HA PRO A 4 -11.204 -11.322 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.525 -8.861 10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.811 -9.187 10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.997 -7.396 8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.727 -8.431 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.714 -8.669 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.434 -8.948 6.585 1.00 0.00 H new ATOM 99 N LEU A 5 -12.529 -11.797 11.467 1.00 0.00 N ATOM 100 CA LEU A 5 -13.350 -12.446 12.483 1.00 0.00 C ATOM 101 C LEU A 5 -12.575 -12.597 13.788 1.00 0.00 C ATOM 102 O LEU A 5 -13.106 -12.349 14.871 1.00 0.00 O ATOM 103 CB LEU A 5 -13.819 -13.817 11.991 1.00 0.00 C ATOM 104 CG LEU A 5 -14.716 -14.587 12.965 1.00 0.00 C ATOM 105 CD1 LEU A 5 -15.988 -13.804 13.256 1.00 0.00 C ATOM 106 CD2 LEU A 5 -15.051 -15.961 12.406 1.00 0.00 C ATOM 0 H LEU A 5 -11.537 -11.742 11.700 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.222 -11.819 12.668 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.358 -13.684 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.942 -14.426 11.771 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.174 -14.718 13.901 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.612 -14.368 13.950 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.730 -12.842 13.699 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.535 -13.640 12.327 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.689 -16.495 13.110 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.573 -15.850 11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.131 -16.525 12.250 1.00 0.00 H new ATOM 118 N SER A 6 -11.316 -13.008 13.674 1.00 0.00 N ATOM 119 CA SER A 6 -10.459 -13.194 14.839 1.00 0.00 C ATOM 120 C SER A 6 -9.165 -12.399 14.685 1.00 0.00 C ATOM 121 O SER A 6 -9.124 -11.401 13.964 1.00 0.00 O ATOM 122 CB SER A 6 -10.144 -14.679 15.030 1.00 0.00 C ATOM 123 OG SER A 6 -11.329 -15.432 15.223 1.00 0.00 O ATOM 0 H SER A 6 -10.866 -13.219 12.783 1.00 0.00 H new ATOM 0 HA SER A 6 -10.988 -12.828 15.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.608 -15.055 14.158 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.485 -14.806 15.889 1.00 0.00 H new ATOM 0 HG SER A 6 -11.100 -16.378 15.341 1.00 0.00 H new ATOM 129 N VAL A 7 -8.111 -12.842 15.367 1.00 0.00 N ATOM 130 CA VAL A 7 -6.818 -12.171 15.297 1.00 0.00 C ATOM 131 C VAL A 7 -6.344 -12.043 13.852 1.00 0.00 C ATOM 132 O VAL A 7 -6.942 -12.617 12.940 1.00 0.00 O ATOM 133 CB VAL A 7 -5.748 -12.923 16.112 1.00 0.00 C ATOM 134 CG1 VAL A 7 -6.151 -13.000 17.577 1.00 0.00 C ATOM 135 CG2 VAL A 7 -5.518 -14.315 15.541 1.00 0.00 C ATOM 0 H VAL A 7 -8.128 -13.662 15.973 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.954 -11.177 15.723 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.811 -12.370 16.044 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.384 -13.534 18.138 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.258 -11.992 17.978 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.100 -13.529 17.666 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.759 -14.829 16.131 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.449 -14.881 15.575 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.181 -14.233 14.508 1.00 0.00 H new ATOM 145 N LYS A 8 -5.266 -11.295 13.647 1.00 0.00 N ATOM 146 CA LYS A 8 -4.723 -11.093 12.312 1.00 0.00 C ATOM 147 C LYS A 8 -3.311 -10.533 12.386 1.00 0.00 C ATOM 148 O LYS A 8 -3.048 -9.569 13.103 1.00 0.00 O ATOM 149 CB LYS A 8 -5.613 -10.146 11.508 1.00 0.00 C ATOM 150 CG LYS A 8 -5.213 -10.022 10.046 1.00 0.00 C ATOM 151 CD LYS A 8 -5.484 -11.309 9.283 1.00 0.00 C ATOM 152 CE LYS A 8 -5.069 -11.190 7.825 1.00 0.00 C ATOM 153 NZ LYS A 8 -5.334 -12.444 7.068 1.00 0.00 N ATOM 0 H LYS A 8 -4.752 -10.819 14.389 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.692 -12.060 11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.644 -10.495 11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.585 -9.158 11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.764 -9.202 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.154 -9.773 9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.943 -12.131 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.545 -11.552 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.608 -10.365 7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.007 -10.949 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.037 -12.322 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.800 -13.227 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.351 -12.661 7.100 1.00 0.00 H new ATOM 167 N ASP A 9 -2.409 -11.147 11.637 1.00 0.00 N ATOM 168 CA ASP A 9 -1.019 -10.711 11.608 1.00 0.00 C ATOM 169 C ASP A 9 -0.903 -9.374 10.888 1.00 0.00 C ATOM 170 O ASP A 9 -1.318 -9.242 9.737 1.00 0.00 O ATOM 171 CB ASP A 9 -0.143 -11.756 10.916 1.00 0.00 C ATOM 172 CG ASP A 9 1.327 -11.384 10.935 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.777 -10.698 9.992 1.00 0.00 O ATOM 174 OD2 ASP A 9 2.027 -11.776 11.890 1.00 0.00 O ATOM 0 H ASP A 9 -2.613 -11.949 11.041 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.673 -10.592 12.635 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.277 -12.720 11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.471 -11.875 9.883 1.00 0.00 H new ATOM 179 N ASN A 10 -0.339 -8.384 11.570 1.00 0.00 N ATOM 180 CA ASN A 10 -0.190 -7.060 10.996 1.00 0.00 C ATOM 181 C ASN A 10 1.258 -6.593 11.006 1.00 0.00 C ATOM 182 O ASN A 10 2.026 -6.885 10.087 1.00 0.00 O ATOM 183 CB ASN A 10 -1.066 -6.055 11.748 1.00 0.00 C ATOM 184 CG ASN A 10 -1.167 -6.317 13.236 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.085 -7.455 13.696 1.00 0.00 O ATOM 186 ND2 ASN A 10 -1.357 -5.250 14.001 1.00 0.00 N ATOM 0 H ASN A 10 0.021 -8.477 12.520 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.512 -7.119 9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.666 -5.053 11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.068 -6.069 11.318 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.441 -5.356 15.012 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.419 -4.324 13.578 1.00 0.00 H new ATOM 193 N ASP A 11 1.616 -5.862 12.049 1.00 0.00 N ATOM 194 CA ASP A 11 2.954 -5.325 12.203 1.00 0.00 C ATOM 195 C ASP A 11 4.013 -6.394 11.971 1.00 0.00 C ATOM 196 O ASP A 11 4.260 -7.242 12.826 1.00 0.00 O ATOM 197 CB ASP A 11 3.117 -4.717 13.593 1.00 0.00 C ATOM 198 CG ASP A 11 2.118 -3.609 13.865 1.00 0.00 C ATOM 199 OD1 ASP A 11 0.908 -3.905 13.935 1.00 0.00 O ATOM 200 OD2 ASP A 11 2.548 -2.446 14.014 1.00 0.00 O ATOM 0 H ASP A 11 0.984 -5.625 12.813 1.00 0.00 H new ATOM 0 HA ASP A 11 3.093 -4.548 11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.000 -5.499 14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.128 -4.323 13.697 1.00 0.00 H new ATOM 205 N LYS A 12 4.619 -6.349 10.793 1.00 0.00 N ATOM 206 CA LYS A 12 5.669 -7.286 10.426 1.00 0.00 C ATOM 207 C LYS A 12 7.041 -6.659 10.669 1.00 0.00 C ATOM 208 O LYS A 12 7.582 -5.957 9.814 1.00 0.00 O ATOM 209 CB LYS A 12 5.508 -7.699 8.961 1.00 0.00 C ATOM 210 CG LYS A 12 6.728 -8.386 8.378 1.00 0.00 C ATOM 211 CD LYS A 12 6.444 -8.944 6.993 1.00 0.00 C ATOM 212 CE LYS A 12 7.709 -9.459 6.329 1.00 0.00 C ATOM 213 NZ LYS A 12 7.432 -10.058 4.995 1.00 0.00 N ATOM 0 H LYS A 12 4.398 -5.666 10.069 1.00 0.00 H new ATOM 0 HA LYS A 12 5.588 -8.178 11.047 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.651 -8.367 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.283 -6.813 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.555 -7.678 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.043 -9.193 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.716 -9.752 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.996 -8.168 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.420 -8.640 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.178 -10.204 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.321 -10.397 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.773 -10.856 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.008 -9.340 4.373 1.00 0.00 H new ATOM 227 N TRP A 13 7.589 -6.911 11.854 1.00 0.00 N ATOM 228 CA TRP A 13 8.880 -6.374 12.250 1.00 0.00 C ATOM 229 C TRP A 13 10.022 -7.214 11.690 1.00 0.00 C ATOM 230 O TRP A 13 10.355 -8.263 12.242 1.00 0.00 O ATOM 231 CB TRP A 13 8.941 -6.310 13.779 1.00 0.00 C ATOM 232 CG TRP A 13 7.629 -5.897 14.393 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.522 -6.680 14.553 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.282 -4.605 14.916 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.502 -5.953 15.116 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.942 -4.678 15.353 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.966 -3.394 15.053 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.274 -3.587 15.910 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.305 -2.315 15.613 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.971 -2.416 16.032 1.00 0.00 C ATOM 0 H TRP A 13 7.147 -7.494 12.565 1.00 0.00 H new ATOM 0 HA TRP A 13 8.993 -5.370 11.841 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.229 -7.286 14.169 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.716 -5.605 14.079 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.458 -7.722 14.276 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.568 -6.306 15.324 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.992 -3.302 14.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.246 -3.664 16.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.827 -1.377 15.730 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.484 -1.552 16.460 1.00 0.00 H new ATOM 251 N VAL A 14 10.626 -6.747 10.590 1.00 0.00 N ATOM 252 CA VAL A 14 11.723 -7.489 9.963 1.00 0.00 C ATOM 253 C VAL A 14 12.718 -6.569 9.265 1.00 0.00 C ATOM 254 O VAL A 14 12.645 -5.347 9.383 1.00 0.00 O ATOM 255 CB VAL A 14 11.200 -8.509 8.928 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.291 -9.537 9.584 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.482 -7.797 7.792 1.00 0.00 C ATOM 0 H VAL A 14 10.378 -5.874 10.124 1.00 0.00 H new ATOM 0 HA VAL A 14 12.228 -8.011 10.776 1.00 0.00 H new ATOM 0 HB VAL A 14 12.057 -9.040 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.937 -10.242 8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.845 -10.074 10.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.438 -9.032 10.037 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.121 -8.532 7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.638 -7.234 8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.172 -7.114 7.297 1.00 0.00 H new ATOM 267 N ASP A 15 13.650 -7.184 8.537 1.00 0.00 N ATOM 268 CA ASP A 15 14.676 -6.454 7.798 1.00 0.00 C ATOM 269 C ASP A 15 14.290 -6.352 6.325 1.00 0.00 C ATOM 270 O ASP A 15 13.135 -6.585 5.967 1.00 0.00 O ATOM 271 CB ASP A 15 16.021 -7.168 7.934 1.00 0.00 C ATOM 272 CG ASP A 15 17.194 -6.210 7.975 1.00 0.00 C ATOM 273 OD1 ASP A 15 17.563 -5.770 9.086 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.752 -5.905 6.900 1.00 0.00 O ATOM 0 H ASP A 15 13.714 -8.198 8.444 1.00 0.00 H new ATOM 0 HA ASP A 15 14.761 -5.449 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.017 -7.769 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.148 -7.855 7.098 1.00 0.00 H new ATOM 279 N THR A 16 15.259 -6.018 5.471 1.00 0.00 N ATOM 280 CA THR A 16 14.998 -5.890 4.037 1.00 0.00 C ATOM 281 C THR A 16 16.245 -5.458 3.266 1.00 0.00 C ATOM 282 O THR A 16 17.334 -5.343 3.829 1.00 0.00 O ATOM 283 CB THR A 16 13.870 -4.875 3.761 1.00 0.00 C ATOM 284 OG1 THR A 16 13.270 -5.142 2.487 1.00 0.00 O ATOM 285 CG2 THR A 16 14.397 -3.448 3.781 1.00 0.00 C ATOM 0 H THR A 16 16.224 -5.833 5.745 1.00 0.00 H new ATOM 0 HA THR A 16 14.693 -6.879 3.693 1.00 0.00 H new ATOM 0 HB THR A 16 13.124 -4.981 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.554 -4.494 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.579 -2.755 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.827 -3.232 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.164 -3.332 3.015 1.00 0.00 H new ATOM 293 N HIS A 17 16.062 -5.220 1.969 1.00 0.00 N ATOM 294 CA HIS A 17 17.144 -4.782 1.094 1.00 0.00 C ATOM 295 C HIS A 17 16.794 -3.435 0.470 1.00 0.00 C ATOM 296 O HIS A 17 15.884 -2.753 0.934 1.00 0.00 O ATOM 297 CB HIS A 17 17.388 -5.821 -0.002 1.00 0.00 C ATOM 298 CG HIS A 17 17.984 -7.097 0.504 1.00 0.00 C ATOM 299 ND1 HIS A 17 17.250 -8.250 0.687 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.254 -7.401 0.863 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.042 -9.207 1.138 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.262 -8.717 1.252 1.00 0.00 N ATOM 0 H HIS A 17 15.163 -5.325 1.498 1.00 0.00 H new ATOM 0 HA HIS A 17 18.054 -4.674 1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.443 -6.043 -0.498 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.050 -5.394 -0.755 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.102 -6.733 0.846 1.00 0.00 H new ATOM 0 HE1 HIS A 17 17.742 -10.218 1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.079 -9.233 1.577 1.00 0.00 H new ATOM 311 N VAL A 18 17.512 -3.050 -0.581 1.00 0.00 N ATOM 312 CA VAL A 18 17.250 -1.776 -1.246 1.00 0.00 C ATOM 313 C VAL A 18 16.337 -1.955 -2.453 1.00 0.00 C ATOM 314 O VAL A 18 16.698 -2.610 -3.431 1.00 0.00 O ATOM 315 CB VAL A 18 18.549 -1.084 -1.698 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.250 0.311 -2.228 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.551 -1.028 -0.556 1.00 0.00 C ATOM 0 H VAL A 18 18.272 -3.595 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 18 16.754 -1.144 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 18 18.991 -1.668 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.178 0.787 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.572 0.240 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.785 0.907 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.462 -0.535 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.124 -0.468 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.786 -2.041 -0.228 1.00 0.00 H new ATOM 327 N GLY A 19 15.150 -1.365 -2.369 1.00 0.00 N ATOM 328 CA GLY A 19 14.188 -1.451 -3.451 1.00 0.00 C ATOM 329 C GLY A 19 13.635 -2.845 -3.644 1.00 0.00 C ATOM 330 O GLY A 19 12.983 -3.115 -4.651 1.00 0.00 O ATOM 0 H GLY A 19 14.835 -0.824 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.365 -0.764 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.661 -1.123 -4.377 1.00 0.00 H new ATOM 334 N LYS A 20 13.908 -3.742 -2.700 1.00 0.00 N ATOM 335 CA LYS A 20 13.394 -5.098 -2.791 1.00 0.00 C ATOM 336 C LYS A 20 11.873 -5.059 -2.817 1.00 0.00 C ATOM 337 O LYS A 20 11.222 -5.123 -1.774 1.00 0.00 O ATOM 338 CB LYS A 20 13.884 -5.941 -1.614 1.00 0.00 C ATOM 339 CG LYS A 20 14.033 -7.411 -1.947 1.00 0.00 C ATOM 340 CD LYS A 20 15.455 -7.715 -2.361 1.00 0.00 C ATOM 341 CE LYS A 20 15.678 -9.206 -2.556 1.00 0.00 C ATOM 342 NZ LYS A 20 15.413 -9.976 -1.310 1.00 0.00 N ATOM 0 H LYS A 20 14.476 -3.554 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 20 13.760 -5.557 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.845 -5.554 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.186 -5.833 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.762 -8.016 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.348 -7.680 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.685 -7.189 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.143 -7.340 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.028 -9.569 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.704 -9.380 -2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.797 -10.938 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.869 -9.501 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.387 -10.028 -1.145 1.00 0.00 H new ATOM 356 N THR A 21 11.319 -4.937 -4.019 1.00 0.00 N ATOM 357 CA THR A 21 9.877 -4.856 -4.199 1.00 0.00 C ATOM 358 C THR A 21 9.147 -5.903 -3.371 1.00 0.00 C ATOM 359 O THR A 21 9.112 -7.081 -3.727 1.00 0.00 O ATOM 360 CB THR A 21 9.483 -5.019 -5.675 1.00 0.00 C ATOM 361 OG1 THR A 21 10.345 -4.229 -6.504 1.00 0.00 O ATOM 362 CG2 THR A 21 8.040 -4.592 -5.890 1.00 0.00 C ATOM 0 H THR A 21 11.853 -4.892 -4.887 1.00 0.00 H new ATOM 0 HA THR A 21 9.580 -3.864 -3.857 1.00 0.00 H new ATOM 0 HB THR A 21 9.585 -6.070 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.088 -4.340 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.777 -4.714 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.383 -5.209 -5.278 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.924 -3.546 -5.606 1.00 0.00 H new ATOM 370 N THR A 22 8.565 -5.460 -2.263 1.00 0.00 N ATOM 371 CA THR A 22 7.825 -6.349 -1.383 1.00 0.00 C ATOM 372 C THR A 22 6.358 -6.385 -1.772 1.00 0.00 C ATOM 373 O THR A 22 5.572 -5.528 -1.367 1.00 0.00 O ATOM 374 CB THR A 22 7.956 -5.923 0.092 1.00 0.00 C ATOM 375 OG1 THR A 22 9.335 -5.912 0.480 1.00 0.00 O ATOM 376 CG2 THR A 22 7.178 -6.860 1.005 1.00 0.00 C ATOM 0 H THR A 22 8.593 -4.488 -1.954 1.00 0.00 H new ATOM 0 HA THR A 22 8.254 -7.345 -1.493 1.00 0.00 H new ATOM 0 HB THR A 22 7.540 -4.920 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.896 -5.763 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.289 -6.535 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.123 -6.843 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.564 -7.874 0.900 1.00 0.00 H new ATOM 384 N GLU A 23 6.009 -7.376 -2.583 1.00 0.00 N ATOM 385 CA GLU A 23 4.650 -7.558 -3.041 1.00 0.00 C ATOM 386 C GLU A 23 3.813 -8.242 -1.977 1.00 0.00 C ATOM 387 O GLU A 23 4.191 -9.288 -1.451 1.00 0.00 O ATOM 388 CB GLU A 23 4.653 -8.390 -4.314 1.00 0.00 C ATOM 389 CG GLU A 23 3.276 -8.565 -4.917 1.00 0.00 C ATOM 390 CD GLU A 23 3.312 -9.245 -6.272 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.454 -10.485 -6.309 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.202 -8.538 -7.295 1.00 0.00 O ATOM 0 H GLU A 23 6.665 -8.072 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 23 4.213 -6.580 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.306 -7.917 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.075 -9.371 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.658 -9.152 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.801 -7.589 -5.017 1.00 0.00 H new ATOM 399 N ILE A 24 2.676 -7.645 -1.665 1.00 0.00 N ATOM 400 CA ILE A 24 1.789 -8.194 -0.660 1.00 0.00 C ATOM 401 C ILE A 24 0.339 -8.150 -1.110 1.00 0.00 C ATOM 402 O ILE A 24 -0.289 -7.089 -1.125 1.00 0.00 O ATOM 403 CB ILE A 24 1.917 -7.427 0.663 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.387 -7.318 1.075 1.00 0.00 C ATOM 405 CG2 ILE A 24 1.096 -8.110 1.747 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.607 -6.558 2.365 1.00 0.00 C ATOM 0 H ILE A 24 2.347 -6.780 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 24 2.085 -9.233 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 24 1.529 -6.418 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.800 -8.321 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.943 -6.827 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.195 -7.557 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.048 -8.134 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.457 -9.129 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.673 -6.524 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.226 -5.542 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.081 -7.060 3.177 1.00 0.00 H new ATOM 418 N HIS A 25 -0.182 -9.308 -1.494 1.00 0.00 N ATOM 419 CA HIS A 25 -1.565 -9.419 -1.915 1.00 0.00 C ATOM 420 C HIS A 25 -2.458 -9.547 -0.690 1.00 0.00 C ATOM 421 O HIS A 25 -2.626 -10.636 -0.142 1.00 0.00 O ATOM 422 CB HIS A 25 -1.758 -10.631 -2.822 1.00 0.00 C ATOM 423 CG HIS A 25 -0.639 -10.850 -3.790 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.084 -12.021 -3.851 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.125 -10.042 -4.747 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.995 -11.925 -4.803 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.888 -10.734 -5.363 1.00 0.00 N ATOM 0 H HIS A 25 0.338 -10.185 -1.521 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.834 -8.523 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.869 -11.521 -2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.688 -10.512 -3.378 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.061 -12.835 -3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.451 -9.040 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.706 -12.690 -5.077 1.00 0.00 H new ATOM 436 N LEU A 26 -3.023 -8.429 -0.263 1.00 0.00 N ATOM 437 CA LEU A 26 -3.884 -8.412 0.908 1.00 0.00 C ATOM 438 C LEU A 26 -5.330 -8.634 0.499 1.00 0.00 C ATOM 439 O LEU A 26 -5.778 -8.118 -0.518 1.00 0.00 O ATOM 440 CB LEU A 26 -3.759 -7.078 1.641 1.00 0.00 C ATOM 441 CG LEU A 26 -2.329 -6.621 1.943 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.273 -5.108 2.075 1.00 0.00 C ATOM 443 CD2 LEU A 26 -1.810 -7.281 3.211 1.00 0.00 C ATOM 0 H LEU A 26 -2.900 -7.521 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.572 -9.215 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.249 -6.309 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.305 -7.148 2.582 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.691 -6.923 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.250 -4.799 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.603 -4.649 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.926 -4.789 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.793 -6.943 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.451 -7.010 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.814 -8.364 3.086 1.00 0.00 H new ATOM 455 N LYS A 27 -6.057 -9.395 1.296 1.00 0.00 N ATOM 456 CA LYS A 27 -7.454 -9.672 1.000 1.00 0.00 C ATOM 457 C LYS A 27 -8.363 -8.763 1.811 1.00 0.00 C ATOM 458 O LYS A 27 -7.930 -8.132 2.776 1.00 0.00 O ATOM 459 CB LYS A 27 -7.782 -11.135 1.282 1.00 0.00 C ATOM 460 CG LYS A 27 -6.897 -12.107 0.516 1.00 0.00 C ATOM 461 CD LYS A 27 -6.999 -13.515 1.078 1.00 0.00 C ATOM 462 CE LYS A 27 -6.103 -14.483 0.323 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.458 -14.557 -1.122 1.00 0.00 N ATOM 0 H LYS A 27 -5.708 -9.831 2.149 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.623 -9.476 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.678 -11.324 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.824 -11.323 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.185 -12.112 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.861 -11.770 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.722 -13.508 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.033 -13.856 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.064 -14.171 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.184 -15.475 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.997 -15.385 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.489 -14.645 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.136 -13.693 -1.603 1.00 0.00 H new ATOM 477 N GLY A 28 -9.625 -8.706 1.416 1.00 0.00 N ATOM 478 CA GLY A 28 -10.578 -7.858 2.104 1.00 0.00 C ATOM 479 C GLY A 28 -11.907 -7.776 1.379 1.00 0.00 C ATOM 480 O GLY A 28 -12.461 -8.795 0.967 1.00 0.00 O ATOM 0 H GLY A 28 -10.008 -9.232 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.740 -8.241 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.161 -6.856 2.207 1.00 0.00 H new ATOM 484 N ASN A 29 -12.415 -6.556 1.221 1.00 0.00 N ATOM 485 CA ASN A 29 -13.687 -6.334 0.540 1.00 0.00 C ATOM 486 C ASN A 29 -13.960 -4.838 0.375 1.00 0.00 C ATOM 487 O ASN A 29 -14.477 -4.197 1.288 1.00 0.00 O ATOM 488 CB ASN A 29 -14.831 -6.987 1.320 1.00 0.00 C ATOM 489 CG ASN A 29 -16.150 -6.921 0.578 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.183 -6.939 -0.653 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.246 -6.842 1.323 1.00 0.00 N ATOM 0 H ASN A 29 -11.964 -5.705 1.556 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.625 -6.789 -0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.582 -8.029 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.936 -6.493 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.163 -6.793 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.171 -6.830 2.340 1.00 0.00 H new ATOM 498 N PRO A 30 -13.612 -4.260 -0.790 1.00 0.00 N ATOM 499 CA PRO A 30 -13.822 -2.832 -1.060 1.00 0.00 C ATOM 500 C PRO A 30 -15.276 -2.400 -0.885 1.00 0.00 C ATOM 501 O PRO A 30 -15.572 -1.206 -0.829 1.00 0.00 O ATOM 502 CB PRO A 30 -13.393 -2.664 -2.526 1.00 0.00 C ATOM 503 CG PRO A 30 -13.335 -4.047 -3.083 1.00 0.00 C ATOM 504 CD PRO A 30 -12.981 -4.940 -1.932 1.00 0.00 C ATOM 0 HA PRO A 30 -13.257 -2.214 -0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.105 -2.049 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.424 -2.171 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.292 -4.333 -3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.590 -4.118 -3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.370 -5.949 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.902 -5.029 -1.805 1.00 0.00 H new ATOM 512 N THR A 31 -16.179 -3.370 -0.800 1.00 0.00 N ATOM 513 CA THR A 31 -17.598 -3.077 -0.639 1.00 0.00 C ATOM 514 C THR A 31 -18.053 -3.264 0.806 1.00 0.00 C ATOM 515 O THR A 31 -19.241 -3.451 1.069 1.00 0.00 O ATOM 516 CB THR A 31 -18.456 -3.968 -1.554 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.197 -5.350 -1.278 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.170 -3.675 -3.018 1.00 0.00 C ATOM 0 H THR A 31 -15.954 -4.364 -0.840 1.00 0.00 H new ATOM 0 HA THR A 31 -17.734 -2.032 -0.919 1.00 0.00 H new ATOM 0 HB THR A 31 -19.505 -3.750 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.230 -5.508 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.788 -4.317 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.398 -2.631 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.118 -3.867 -3.229 1.00 0.00 H new ATOM 526 N THR A 32 -17.108 -3.207 1.741 1.00 0.00 N ATOM 527 CA THR A 32 -17.432 -3.370 3.154 1.00 0.00 C ATOM 528 C THR A 32 -17.509 -2.019 3.859 1.00 0.00 C ATOM 529 O THR A 32 -18.279 -1.843 4.804 1.00 0.00 O ATOM 530 CB THR A 32 -16.403 -4.261 3.880 1.00 0.00 C ATOM 531 OG1 THR A 32 -16.930 -4.687 5.141 1.00 0.00 O ATOM 532 CG2 THR A 32 -15.094 -3.519 4.102 1.00 0.00 C ATOM 0 H THR A 32 -16.119 -3.050 1.547 1.00 0.00 H new ATOM 0 HA THR A 32 -18.406 -3.857 3.196 1.00 0.00 H new ATOM 0 HB THR A 32 -16.206 -5.129 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.272 -5.253 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.388 -4.172 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.678 -3.220 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.277 -2.633 4.710 1.00 0.00 H new ATOM 540 N GLY A 33 -16.706 -1.067 3.393 1.00 0.00 N ATOM 541 CA GLY A 33 -16.699 0.255 3.988 1.00 0.00 C ATOM 542 C GLY A 33 -15.296 0.787 4.216 1.00 0.00 C ATOM 543 O GLY A 33 -15.036 1.972 4.009 1.00 0.00 O ATOM 0 H GLY A 33 -16.060 -1.189 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.243 0.943 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.230 0.224 4.939 1.00 0.00 H new ATOM 547 N TYR A 34 -14.391 -0.090 4.640 1.00 0.00 N ATOM 548 CA TYR A 34 -13.010 0.305 4.898 1.00 0.00 C ATOM 549 C TYR A 34 -12.127 0.076 3.672 1.00 0.00 C ATOM 550 O TYR A 34 -12.608 -0.309 2.606 1.00 0.00 O ATOM 551 CB TYR A 34 -12.445 -0.460 6.099 1.00 0.00 C ATOM 552 CG TYR A 34 -13.084 -0.092 7.420 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.369 -0.522 7.733 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.406 0.682 8.359 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.958 -0.193 8.939 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.991 1.014 9.567 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.265 0.574 9.851 1.00 0.00 C ATOM 558 OH TYR A 34 -14.850 0.902 11.052 1.00 0.00 O ATOM 0 H TYR A 34 -14.588 -1.076 4.812 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.010 1.371 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.575 -1.529 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.373 -0.276 6.162 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.916 -1.123 7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.407 1.028 8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.957 -0.535 9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.452 1.615 10.284 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.229 1.445 11.581 1.00 0.00 H new ATOM 568 N MET A 35 -10.832 0.319 3.844 1.00 0.00 N ATOM 569 CA MET A 35 -9.857 0.166 2.790 1.00 0.00 C ATOM 570 C MET A 35 -8.521 -0.235 3.381 1.00 0.00 C ATOM 571 O MET A 35 -8.188 0.149 4.500 1.00 0.00 O ATOM 572 CB MET A 35 -9.688 1.485 2.041 1.00 0.00 C ATOM 573 CG MET A 35 -8.305 1.660 1.441 1.00 0.00 C ATOM 574 SD MET A 35 -8.115 3.222 0.558 1.00 0.00 S ATOM 575 CE MET A 35 -9.360 3.052 -0.718 1.00 0.00 C ATOM 0 H MET A 35 -10.434 0.630 4.730 1.00 0.00 H new ATOM 0 HA MET A 35 -10.204 -0.605 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.432 1.542 1.246 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.888 2.311 2.724 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.560 1.604 2.235 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.104 0.835 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.984 3.946 -0.739 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.874 2.925 -1.686 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.981 2.181 -0.507 1.00 0.00 H new ATOM 585 N TRP A 36 -7.753 -0.989 2.622 1.00 0.00 N ATOM 586 CA TRP A 36 -6.442 -1.415 3.070 1.00 0.00 C ATOM 587 C TRP A 36 -5.367 -0.587 2.385 1.00 0.00 C ATOM 588 O TRP A 36 -4.824 -0.985 1.353 1.00 0.00 O ATOM 589 CB TRP A 36 -6.225 -2.893 2.786 1.00 0.00 C ATOM 590 CG TRP A 36 -6.343 -3.752 4.005 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.206 -4.793 4.201 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.575 -3.636 5.202 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.019 -5.328 5.453 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.022 -4.635 6.085 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.550 -2.783 5.612 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.480 -4.802 7.353 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.014 -2.949 6.869 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.479 -3.952 7.727 1.00 0.00 C ATOM 0 H TRP A 36 -8.013 -1.320 1.693 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.380 -1.263 4.148 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.952 -3.224 2.045 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.237 -3.031 2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.928 -5.144 3.479 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.538 -6.113 5.847 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.184 -2.007 4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.837 -5.575 8.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.221 -2.294 7.199 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.036 -4.056 8.707 1.00 0.00 H new ATOM 609 N THR A 37 -5.071 0.569 2.960 1.00 0.00 N ATOM 610 CA THR A 37 -4.070 1.461 2.397 1.00 0.00 C ATOM 611 C THR A 37 -3.177 2.034 3.499 1.00 0.00 C ATOM 612 O THR A 37 -3.510 1.945 4.681 1.00 0.00 O ATOM 613 CB THR A 37 -4.732 2.614 1.617 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.733 3.383 0.938 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.522 3.516 2.552 1.00 0.00 C ATOM 0 H THR A 37 -5.509 0.911 3.815 1.00 0.00 H new ATOM 0 HA THR A 37 -3.459 0.878 1.708 1.00 0.00 H new ATOM 0 HB THR A 37 -5.417 2.183 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.162 4.113 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.980 4.322 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.300 2.935 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.853 3.938 3.302 1.00 0.00 H new ATOM 623 N ARG A 38 -2.047 2.620 3.112 1.00 0.00 N ATOM 624 CA ARG A 38 -1.117 3.204 4.076 1.00 0.00 C ATOM 625 C ARG A 38 -1.778 4.333 4.862 1.00 0.00 C ATOM 626 O ARG A 38 -2.437 5.199 4.290 1.00 0.00 O ATOM 627 CB ARG A 38 0.129 3.724 3.353 1.00 0.00 C ATOM 628 CG ARG A 38 1.181 2.670 3.098 1.00 0.00 C ATOM 629 CD ARG A 38 1.832 2.854 1.738 1.00 0.00 C ATOM 630 NE ARG A 38 1.070 2.200 0.677 1.00 0.00 N ATOM 631 CZ ARG A 38 0.711 0.915 0.703 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.118 0.127 1.684 1.00 0.00 N ATOM 633 NH2 ARG A 38 -0.033 0.412 -0.267 1.00 0.00 N ATOM 0 H ARG A 38 -1.753 2.703 2.139 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.824 2.427 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.172 4.159 2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.570 4.526 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.942 2.718 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.728 1.680 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.920 3.918 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.843 2.448 1.762 1.00 0.00 H new ATOM 0 HE ARG A 38 0.796 2.759 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.710 0.501 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.840 -0.854 1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.335 1.007 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.305 -0.571 -0.244 1.00 0.00 H new ATOM 647 N VAL A 39 -1.604 4.304 6.181 1.00 0.00 N ATOM 648 CA VAL A 39 -2.169 5.324 7.059 1.00 0.00 C ATOM 649 C VAL A 39 -1.725 6.714 6.617 1.00 0.00 C ATOM 650 O VAL A 39 -0.620 6.885 6.102 1.00 0.00 O ATOM 651 CB VAL A 39 -1.741 5.092 8.516 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.232 4.966 8.591 1.00 0.00 C ATOM 653 CG2 VAL A 39 -2.245 6.206 9.421 1.00 0.00 C ATOM 0 H VAL A 39 -1.073 3.581 6.667 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.255 5.254 6.994 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.188 4.163 8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.068 4.802 9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.094 4.124 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.228 5.882 8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.927 6.014 10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.836 7.160 9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.334 6.243 9.380 1.00 0.00 H new ATOM 663 N GLY A 40 -2.588 7.705 6.822 1.00 0.00 N ATOM 664 CA GLY A 40 -2.261 9.058 6.413 1.00 0.00 C ATOM 665 C GLY A 40 -2.248 9.188 4.905 1.00 0.00 C ATOM 666 O GLY A 40 -2.137 10.288 4.362 1.00 0.00 O ATOM 0 H GLY A 40 -3.502 7.596 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.987 9.753 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.286 9.335 6.813 1.00 0.00 H new ATOM 670 N PHE A 41 -2.364 8.046 4.233 1.00 0.00 N ATOM 671 CA PHE A 41 -2.376 7.992 2.782 1.00 0.00 C ATOM 672 C PHE A 41 -3.704 7.437 2.295 1.00 0.00 C ATOM 673 O PHE A 41 -3.779 6.735 1.287 1.00 0.00 O ATOM 674 CB PHE A 41 -1.210 7.143 2.280 1.00 0.00 C ATOM 675 CG PHE A 41 0.135 7.728 2.603 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.303 9.102 2.684 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.228 6.909 2.834 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.535 9.648 2.984 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.464 7.450 3.136 1.00 0.00 C ATOM 680 CZ PHE A 41 2.617 8.821 3.212 1.00 0.00 C ATOM 0 H PHE A 41 -2.452 7.135 4.683 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.259 9.000 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.280 6.147 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.296 7.023 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.541 9.753 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.113 5.837 2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.652 10.720 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.309 6.801 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.581 9.245 3.449 1.00 0.00 H new ATOM 690 N VAL A 42 -4.750 7.751 3.044 1.00 0.00 N ATOM 691 CA VAL A 42 -6.098 7.326 2.709 1.00 0.00 C ATOM 692 C VAL A 42 -6.825 8.455 1.985 1.00 0.00 C ATOM 693 O VAL A 42 -7.501 9.277 2.606 1.00 0.00 O ATOM 694 CB VAL A 42 -6.873 6.919 3.972 1.00 0.00 C ATOM 695 CG1 VAL A 42 -8.171 6.220 3.598 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.999 6.038 4.848 1.00 0.00 C ATOM 0 H VAL A 42 -4.688 8.306 3.898 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.038 6.456 2.054 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.134 7.813 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.707 5.939 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.789 6.894 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.948 5.326 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.552 5.752 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.715 5.143 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.102 6.587 5.136 1.00 0.00 H new ATOM 706 N GLY A 43 -6.668 8.486 0.666 1.00 0.00 N ATOM 707 CA GLY A 43 -7.267 9.533 -0.140 1.00 0.00 C ATOM 708 C GLY A 43 -6.199 10.481 -0.648 1.00 0.00 C ATOM 709 O GLY A 43 -6.488 11.520 -1.241 1.00 0.00 O ATOM 0 H GLY A 43 -6.132 7.798 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.802 9.093 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.999 10.083 0.451 1.00 0.00 H new ATOM 713 N LYS A 44 -4.952 10.093 -0.398 1.00 0.00 N ATOM 714 CA LYS A 44 -3.777 10.857 -0.792 1.00 0.00 C ATOM 715 C LYS A 44 -3.620 10.910 -2.312 1.00 0.00 C ATOM 716 O LYS A 44 -4.570 10.677 -3.058 1.00 0.00 O ATOM 717 CB LYS A 44 -2.541 10.191 -0.172 1.00 0.00 C ATOM 718 CG LYS A 44 -2.486 8.686 -0.388 1.00 0.00 C ATOM 719 CD LYS A 44 -2.200 8.304 -1.825 1.00 0.00 C ATOM 720 CE LYS A 44 -3.455 7.832 -2.549 1.00 0.00 C ATOM 721 NZ LYS A 44 -4.017 6.592 -1.948 1.00 0.00 N ATOM 0 H LYS A 44 -4.728 9.226 0.091 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.889 11.882 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.644 10.643 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.527 10.397 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.716 8.260 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.435 8.246 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.778 9.160 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.449 7.514 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.207 8.621 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.221 7.652 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.044 6.561 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.572 5.761 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.829 6.586 -0.925 1.00 0.00 H new ATOM 735 N ASP A 45 -2.404 11.229 -2.754 1.00 0.00 N ATOM 736 CA ASP A 45 -2.078 11.274 -4.164 1.00 0.00 C ATOM 737 C ASP A 45 -1.207 10.068 -4.509 1.00 0.00 C ATOM 738 O ASP A 45 -1.380 9.433 -5.548 1.00 0.00 O ATOM 739 CB ASP A 45 -1.338 12.568 -4.487 1.00 0.00 C ATOM 740 CG ASP A 45 -2.253 13.777 -4.484 1.00 0.00 C ATOM 741 OD1 ASP A 45 -2.423 14.392 -3.411 1.00 0.00 O ATOM 742 OD2 ASP A 45 -2.802 14.108 -5.557 1.00 0.00 O ATOM 0 H ASP A 45 -1.624 11.462 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.993 11.244 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.541 12.718 -3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.864 12.477 -5.464 1.00 0.00 H new ATOM 747 N VAL A 46 -0.272 9.768 -3.608 1.00 0.00 N ATOM 748 CA VAL A 46 0.633 8.637 -3.760 1.00 0.00 C ATOM 749 C VAL A 46 1.098 8.125 -2.403 1.00 0.00 C ATOM 750 O VAL A 46 1.734 8.848 -1.636 1.00 0.00 O ATOM 751 CB VAL A 46 1.858 9.007 -4.618 1.00 0.00 C ATOM 752 CG1 VAL A 46 3.078 8.178 -4.236 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.532 8.828 -6.085 1.00 0.00 C ATOM 0 H VAL A 46 -0.123 10.304 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 46 0.078 7.848 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 46 2.101 10.053 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.923 8.465 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.324 8.354 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.860 7.120 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.402 9.091 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.262 7.789 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.697 9.475 -6.354 1.00 0.00 H new ATOM 763 N LEU A 47 0.763 6.873 -2.115 1.00 0.00 N ATOM 764 CA LEU A 47 1.155 6.243 -0.864 1.00 0.00 C ATOM 765 C LEU A 47 2.663 6.336 -0.705 1.00 0.00 C ATOM 766 O LEU A 47 3.172 6.899 0.265 1.00 0.00 O ATOM 767 CB LEU A 47 0.716 4.779 -0.869 1.00 0.00 C ATOM 768 CG LEU A 47 -0.692 4.535 -1.419 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.969 3.050 -1.557 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.733 5.185 -0.521 1.00 0.00 C ATOM 0 H LEU A 47 0.218 6.273 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 47 0.675 6.753 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.427 4.203 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.765 4.396 0.150 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.752 4.987 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.975 2.902 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.244 2.607 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.887 2.572 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.728 5.002 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.665 4.761 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.553 6.259 -0.473 1.00 0.00 H new ATOM 782 N SER A 48 3.362 5.761 -1.674 1.00 0.00 N ATOM 783 CA SER A 48 4.823 5.780 -1.715 1.00 0.00 C ATOM 784 C SER A 48 5.385 7.169 -1.416 1.00 0.00 C ATOM 785 O SER A 48 4.656 8.161 -1.406 1.00 0.00 O ATOM 786 CB SER A 48 5.308 5.336 -3.095 1.00 0.00 C ATOM 787 OG SER A 48 6.620 5.802 -3.356 1.00 0.00 O ATOM 0 H SER A 48 2.934 5.267 -2.457 1.00 0.00 H new ATOM 0 HA SER A 48 5.179 5.094 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.288 4.248 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.628 5.712 -3.860 1.00 0.00 H new ATOM 0 HG SER A 48 6.640 6.252 -4.227 1.00 0.00 H new ATOM 793 N ASP A 49 6.694 7.224 -1.191 1.00 0.00 N ATOM 794 CA ASP A 49 7.376 8.482 -0.898 1.00 0.00 C ATOM 795 C ASP A 49 8.861 8.385 -1.222 1.00 0.00 C ATOM 796 O ASP A 49 9.291 7.531 -1.996 1.00 0.00 O ATOM 797 CB ASP A 49 7.209 8.870 0.571 1.00 0.00 C ATOM 798 CG ASP A 49 5.796 9.301 0.907 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.471 10.488 0.700 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.014 8.449 1.378 1.00 0.00 O ATOM 0 H ASP A 49 7.307 6.409 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 49 6.920 9.249 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.485 8.023 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.898 9.681 0.809 1.00 0.00 H new ATOM 805 N GLU A 50 9.633 9.276 -0.615 1.00 0.00 N ATOM 806 CA GLU A 50 11.071 9.320 -0.812 1.00 0.00 C ATOM 807 C GLU A 50 11.757 8.177 -0.067 1.00 0.00 C ATOM 808 O GLU A 50 12.805 7.687 -0.485 1.00 0.00 O ATOM 809 CB GLU A 50 11.603 10.664 -0.320 1.00 0.00 C ATOM 810 CG GLU A 50 11.743 10.751 1.191 1.00 0.00 C ATOM 811 CD GLU A 50 12.262 12.098 1.653 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.435 13.004 1.889 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.495 12.248 1.779 1.00 0.00 O ATOM 0 H GLU A 50 9.279 9.986 0.026 1.00 0.00 H new ATOM 0 HA GLU A 50 11.287 9.206 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.575 10.849 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.935 11.455 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.774 10.561 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.419 9.968 1.535 1.00 0.00 H new ATOM 820 N ILE A 51 11.150 7.760 1.040 1.00 0.00 N ATOM 821 CA ILE A 51 11.691 6.681 1.855 1.00 0.00 C ATOM 822 C ILE A 51 11.352 5.319 1.266 1.00 0.00 C ATOM 823 O ILE A 51 12.206 4.648 0.694 1.00 0.00 O ATOM 824 CB ILE A 51 11.140 6.746 3.290 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.198 8.181 3.816 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.909 5.801 4.203 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.604 8.703 4.029 1.00 0.00 C ATOM 0 H ILE A 51 10.279 8.156 1.393 1.00 0.00 H new ATOM 0 HA ILE A 51 12.773 6.808 1.871 1.00 0.00 H new ATOM 0 HB ILE A 51 10.098 6.428 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.681 8.835 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.655 8.233 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.504 5.862 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.813 4.780 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.962 6.084 4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.560 9.726 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.120 8.074 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.146 8.685 3.083 1.00 0.00 H new ATOM 839 N LEU A 52 10.096 4.918 1.422 1.00 0.00 N ATOM 840 CA LEU A 52 9.631 3.633 0.910 1.00 0.00 C ATOM 841 C LEU A 52 8.791 3.804 -0.351 1.00 0.00 C ATOM 842 O LEU A 52 7.673 4.315 -0.291 1.00 0.00 O ATOM 843 CB LEU A 52 8.800 2.907 1.972 1.00 0.00 C ATOM 844 CG LEU A 52 9.602 2.164 3.041 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.737 1.890 4.261 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.164 0.866 2.480 1.00 0.00 C ATOM 0 H LEU A 52 9.380 5.465 1.900 1.00 0.00 H new ATOM 0 HA LEU A 52 10.513 3.043 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.157 3.636 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.146 2.193 1.471 1.00 0.00 H new ATOM 0 HG LEU A 52 10.437 2.795 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.324 1.361 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.384 2.834 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.882 1.279 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.732 0.351 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.345 0.229 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.818 1.087 1.637 1.00 0.00 H new ATOM 858 N GLU A 53 9.339 3.397 -1.495 1.00 0.00 N ATOM 859 CA GLU A 53 8.608 3.473 -2.755 1.00 0.00 C ATOM 860 C GLU A 53 7.452 2.482 -2.750 1.00 0.00 C ATOM 861 O GLU A 53 7.523 1.428 -3.385 1.00 0.00 O ATOM 862 CB GLU A 53 9.538 3.175 -3.930 1.00 0.00 C ATOM 863 CG GLU A 53 9.959 4.407 -4.702 1.00 0.00 C ATOM 864 CD GLU A 53 9.127 4.629 -5.950 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.507 4.105 -7.018 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.095 5.327 -5.860 1.00 0.00 O ATOM 0 H GLU A 53 10.281 3.014 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 53 8.214 4.483 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.429 2.669 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.040 2.484 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.877 5.281 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.008 4.314 -4.982 1.00 0.00 H new ATOM 873 N VAL A 54 6.389 2.816 -2.027 1.00 0.00 N ATOM 874 CA VAL A 54 5.235 1.935 -1.934 1.00 0.00 C ATOM 875 C VAL A 54 4.299 2.088 -3.121 1.00 0.00 C ATOM 876 O VAL A 54 3.397 2.927 -3.112 1.00 0.00 O ATOM 877 CB VAL A 54 4.422 2.168 -0.654 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.686 0.894 -0.287 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.304 2.646 0.488 1.00 0.00 C ATOM 0 H VAL A 54 6.304 3.685 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 54 5.649 0.927 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 54 3.694 2.958 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.108 1.057 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.015 0.615 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.406 0.093 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.694 2.801 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.067 1.896 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.784 3.584 0.209 1.00 0.00 H new ATOM 889 N VAL A 55 4.522 1.278 -4.139 1.00 0.00 N ATOM 890 CA VAL A 55 3.683 1.294 -5.321 1.00 0.00 C ATOM 891 C VAL A 55 2.573 0.269 -5.177 1.00 0.00 C ATOM 892 O VAL A 55 2.758 -0.909 -5.481 1.00 0.00 O ATOM 893 CB VAL A 55 4.486 0.966 -6.583 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.627 1.163 -7.821 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.748 1.816 -6.653 1.00 0.00 C ATOM 0 H VAL A 55 5.281 0.598 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 55 3.269 2.298 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 55 4.789 -0.080 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.211 0.926 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.760 0.505 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.294 2.200 -7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.304 1.568 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.475 2.871 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.369 1.618 -5.779 1.00 0.00 H new ATOM 905 N CYS A 56 1.419 0.714 -4.717 1.00 0.00 N ATOM 906 CA CYS A 56 0.300 -0.192 -4.516 1.00 0.00 C ATOM 907 C CYS A 56 -0.834 0.075 -5.488 1.00 0.00 C ATOM 908 O CYS A 56 -1.063 1.208 -5.912 1.00 0.00 O ATOM 909 CB CYS A 56 -0.219 -0.090 -3.086 1.00 0.00 C ATOM 910 SG CYS A 56 -1.692 -1.086 -2.760 1.00 0.00 S ATOM 0 H CYS A 56 1.231 1.687 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 56 0.670 -1.200 -4.701 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.572 -0.396 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.444 0.954 -2.866 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.723 -2.095 -3.579 1.00 0.00 H new ATOM 916 N LYS A 57 -1.540 -0.992 -5.833 1.00 0.00 N ATOM 917 CA LYS A 57 -2.670 -0.909 -6.734 1.00 0.00 C ATOM 918 C LYS A 57 -3.890 -1.539 -6.080 1.00 0.00 C ATOM 919 O LYS A 57 -3.945 -2.755 -5.879 1.00 0.00 O ATOM 920 CB LYS A 57 -2.366 -1.618 -8.048 1.00 0.00 C ATOM 921 CG LYS A 57 -0.985 -1.312 -8.603 1.00 0.00 C ATOM 922 CD LYS A 57 -0.712 -2.087 -9.882 1.00 0.00 C ATOM 923 CE LYS A 57 0.675 -1.792 -10.429 1.00 0.00 C ATOM 924 NZ LYS A 57 0.963 -2.570 -11.665 1.00 0.00 N ATOM 0 H LYS A 57 -1.343 -1.934 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.869 0.141 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.458 -2.694 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.116 -1.333 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.900 -0.243 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.229 -1.561 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.808 -3.155 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.461 -1.830 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.762 -0.727 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.422 -2.027 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.918 -2.340 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.906 -3.587 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.266 -2.327 -12.398 1.00 0.00 H new ATOM 938 N TYR A 58 -4.851 -0.701 -5.731 1.00 0.00 N ATOM 939 CA TYR A 58 -6.073 -1.169 -5.100 1.00 0.00 C ATOM 940 C TYR A 58 -7.045 -1.658 -6.169 1.00 0.00 C ATOM 941 O TYR A 58 -7.689 -0.861 -6.851 1.00 0.00 O ATOM 942 CB TYR A 58 -6.707 -0.049 -4.257 1.00 0.00 C ATOM 943 CG TYR A 58 -7.847 -0.496 -3.363 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.828 -1.372 -3.826 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.951 -0.027 -2.056 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.871 -1.772 -3.020 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.001 -0.421 -1.246 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.954 -1.293 -1.732 1.00 0.00 C ATOM 949 OH TYR A 58 -10.997 -1.682 -0.923 1.00 0.00 O ATOM 0 H TYR A 58 -4.809 0.308 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.837 -1.998 -4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.933 0.403 -3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.073 0.729 -4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.769 -1.745 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.204 0.651 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.618 -2.456 -3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.075 -0.047 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.907 -1.255 -0.045 1.00 0.00 H new ATOM 959 N THR A 59 -7.140 -2.976 -6.308 1.00 0.00 N ATOM 960 CA THR A 59 -8.028 -3.583 -7.291 1.00 0.00 C ATOM 961 C THR A 59 -9.269 -4.163 -6.618 1.00 0.00 C ATOM 962 O THR A 59 -9.164 -5.079 -5.807 1.00 0.00 O ATOM 963 CB THR A 59 -7.315 -4.706 -8.065 1.00 0.00 C ATOM 964 OG1 THR A 59 -6.086 -4.218 -8.617 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.197 -5.242 -9.181 1.00 0.00 C ATOM 0 H THR A 59 -6.611 -3.646 -5.750 1.00 0.00 H new ATOM 0 HA THR A 59 -8.322 -2.797 -7.986 1.00 0.00 H new ATOM 0 HB THR A 59 -7.105 -5.517 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.638 -4.939 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.670 -6.034 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.119 -5.640 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.436 -4.436 -9.875 1.00 0.00 H new ATOM 973 N PRO A 60 -10.463 -3.630 -6.936 1.00 0.00 N ATOM 974 CA PRO A 60 -11.712 -4.094 -6.367 1.00 0.00 C ATOM 975 C PRO A 60 -12.440 -5.065 -7.288 1.00 0.00 C ATOM 976 O PRO A 60 -13.606 -5.389 -7.068 1.00 0.00 O ATOM 977 CB PRO A 60 -12.486 -2.789 -6.236 1.00 0.00 C ATOM 978 CG PRO A 60 -12.038 -1.963 -7.405 1.00 0.00 C ATOM 979 CD PRO A 60 -10.704 -2.512 -7.858 1.00 0.00 C ATOM 0 HA PRO A 60 -11.585 -4.646 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.562 -2.962 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.266 -2.291 -5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.768 -2.012 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.946 -0.914 -7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.739 -2.847 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.917 -1.760 -7.792 1.00 0.00 H new ATOM 987 N THR A 61 -11.741 -5.530 -8.311 1.00 0.00 N ATOM 988 CA THR A 61 -12.320 -6.459 -9.275 1.00 0.00 C ATOM 989 C THR A 61 -12.726 -7.766 -8.591 1.00 0.00 C ATOM 990 O THR A 61 -11.975 -8.304 -7.779 1.00 0.00 O ATOM 991 CB THR A 61 -11.334 -6.772 -10.416 1.00 0.00 C ATOM 992 OG1 THR A 61 -10.676 -5.573 -10.840 1.00 0.00 O ATOM 993 CG2 THR A 61 -12.046 -7.403 -11.604 1.00 0.00 C ATOM 0 H THR A 61 -10.770 -5.280 -8.498 1.00 0.00 H new ATOM 0 HA THR A 61 -13.203 -5.978 -9.695 1.00 0.00 H new ATOM 0 HB THR A 61 -10.599 -7.481 -10.035 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.050 -5.782 -11.564 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.323 -7.612 -12.392 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.521 -8.333 -11.291 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.805 -6.717 -11.980 1.00 0.00 H new ATOM 1001 N PRO A 62 -13.920 -8.297 -8.916 1.00 0.00 N ATOM 1002 CA PRO A 62 -14.423 -9.543 -8.324 1.00 0.00 C ATOM 1003 C PRO A 62 -13.439 -10.697 -8.478 1.00 0.00 C ATOM 1004 O PRO A 62 -12.638 -10.724 -9.412 1.00 0.00 O ATOM 1005 CB PRO A 62 -15.712 -9.831 -9.108 1.00 0.00 C ATOM 1006 CG PRO A 62 -15.657 -8.943 -10.306 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.867 -7.738 -9.888 1.00 0.00 C ATOM 0 HA PRO A 62 -14.581 -9.441 -7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -15.768 -10.880 -9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.594 -9.620 -8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.182 -9.449 -11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -16.659 -8.660 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.356 -7.276 -10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.501 -6.972 -9.442 1.00 0.00 H new ATOM 1015 N SER A 63 -13.506 -11.650 -7.552 1.00 0.00 N ATOM 1016 CA SER A 63 -12.622 -12.809 -7.580 1.00 0.00 C ATOM 1017 C SER A 63 -13.013 -13.765 -8.703 1.00 0.00 C ATOM 1018 O SER A 63 -13.888 -13.462 -9.514 1.00 0.00 O ATOM 1019 CB SER A 63 -12.663 -13.538 -6.236 1.00 0.00 C ATOM 1020 OG SER A 63 -12.245 -12.689 -5.182 1.00 0.00 O ATOM 0 H SER A 63 -14.164 -11.641 -6.773 1.00 0.00 H new ATOM 0 HA SER A 63 -11.607 -12.457 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.675 -13.892 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.020 -14.417 -6.276 1.00 0.00 H new ATOM 0 HG SER A 63 -12.282 -13.178 -4.334 1.00 0.00 H new ATOM 1026 N SER A 64 -12.358 -14.922 -8.741 1.00 0.00 N ATOM 1027 CA SER A 64 -12.634 -15.925 -9.764 1.00 0.00 C ATOM 1028 C SER A 64 -14.059 -16.455 -9.637 1.00 0.00 C ATOM 1029 O SER A 64 -14.758 -16.627 -10.636 1.00 0.00 O ATOM 1030 CB SER A 64 -11.636 -17.079 -9.657 1.00 0.00 C ATOM 1031 OG SER A 64 -10.306 -16.622 -9.831 1.00 0.00 O ATOM 0 H SER A 64 -11.633 -15.188 -8.075 1.00 0.00 H new ATOM 0 HA SER A 64 -12.529 -15.451 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.734 -17.559 -8.684 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.866 -17.833 -10.409 1.00 0.00 H new ATOM 0 HG SER A 64 -9.688 -17.379 -9.756 1.00 0.00 H new ATOM 1037 N THR A 65 -14.482 -16.714 -8.404 1.00 0.00 N ATOM 1038 CA THR A 65 -15.822 -17.226 -8.148 1.00 0.00 C ATOM 1039 C THR A 65 -16.840 -16.091 -8.047 1.00 0.00 C ATOM 1040 O THR A 65 -16.484 -14.958 -7.721 1.00 0.00 O ATOM 1041 CB THR A 65 -15.868 -18.055 -6.851 1.00 0.00 C ATOM 1042 OG1 THR A 65 -15.435 -17.257 -5.742 1.00 0.00 O ATOM 1043 CG2 THR A 65 -14.991 -19.291 -6.967 1.00 0.00 C ATOM 0 H THR A 65 -13.916 -16.577 -7.567 1.00 0.00 H new ATOM 0 HA THR A 65 -16.079 -17.866 -8.992 1.00 0.00 H new ATOM 0 HB THR A 65 -16.897 -18.374 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.469 -17.792 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.040 -19.860 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.343 -19.911 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.960 -18.990 -7.154 1.00 0.00 H new ATOM 1051 N PRO A 66 -18.123 -16.384 -8.326 1.00 0.00 N ATOM 1052 CA PRO A 66 -19.196 -15.387 -8.262 1.00 0.00 C ATOM 1053 C PRO A 66 -19.608 -15.077 -6.826 1.00 0.00 C ATOM 1054 O PRO A 66 -18.827 -15.266 -5.892 1.00 0.00 O ATOM 1055 CB PRO A 66 -20.336 -16.073 -9.013 1.00 0.00 C ATOM 1056 CG PRO A 66 -20.123 -17.519 -8.745 1.00 0.00 C ATOM 1057 CD PRO A 66 -18.632 -17.712 -8.728 1.00 0.00 C ATOM 0 HA PRO A 66 -18.901 -14.426 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.309 -15.739 -8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.299 -15.855 -10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.567 -17.811 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.589 -18.133 -9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.335 -18.488 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -18.253 -18.009 -9.706 1.00 0.00 H new ATOM 1065 N MET A 67 -20.839 -14.599 -6.658 1.00 0.00 N ATOM 1066 CA MET A 67 -21.365 -14.261 -5.337 1.00 0.00 C ATOM 1067 C MET A 67 -20.535 -13.163 -4.678 1.00 0.00 C ATOM 1068 O MET A 67 -20.608 -12.961 -3.465 1.00 0.00 O ATOM 1069 CB MET A 67 -21.397 -15.501 -4.442 1.00 0.00 C ATOM 1070 CG MET A 67 -22.264 -16.624 -4.990 1.00 0.00 C ATOM 1071 SD MET A 67 -23.984 -16.133 -5.210 1.00 0.00 S ATOM 1072 CE MET A 67 -24.440 -15.728 -3.526 1.00 0.00 C ATOM 0 H MET A 67 -21.493 -14.436 -7.423 1.00 0.00 H new ATOM 0 HA MET A 67 -22.382 -13.890 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 67 -20.380 -15.870 -4.310 1.00 0.00 H new ATOM 0 HB3 MET A 67 -21.764 -15.218 -3.456 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.860 -16.955 -5.947 1.00 0.00 H new ATOM 0 HG3 MET A 67 -22.218 -17.476 -4.312 1.00 0.00 H new ATOM 0 HE1 MET A 67 -25.526 -15.718 -3.436 1.00 0.00 H new ATOM 0 HE2 MET A 67 -24.027 -16.474 -2.848 1.00 0.00 H new ATOM 0 HE3 MET A 67 -24.045 -14.745 -3.268 1.00 0.00 H new ATOM 1082 N VAL A 68 -19.750 -12.454 -5.482 1.00 0.00 N ATOM 1083 CA VAL A 68 -18.909 -11.376 -4.974 1.00 0.00 C ATOM 1084 C VAL A 68 -19.098 -10.101 -5.790 1.00 0.00 C ATOM 1085 O VAL A 68 -18.697 -10.030 -6.953 1.00 0.00 O ATOM 1086 CB VAL A 68 -17.418 -11.768 -4.990 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -16.557 -10.630 -4.461 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -17.190 -13.036 -4.181 1.00 0.00 C ATOM 0 H VAL A 68 -19.678 -12.606 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 68 -19.216 -11.194 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 68 -17.126 -11.963 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.509 -10.927 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.696 -9.748 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.849 -10.399 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.132 -13.297 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.501 -12.870 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.774 -13.851 -4.609 1.00 0.00 H new ATOM 1098 N GLY A 69 -19.711 -9.095 -5.173 1.00 0.00 N ATOM 1099 CA GLY A 69 -19.943 -7.835 -5.856 1.00 0.00 C ATOM 1100 C GLY A 69 -18.747 -6.907 -5.775 1.00 0.00 C ATOM 1101 O GLY A 69 -18.533 -6.251 -4.756 1.00 0.00 O ATOM 0 H GLY A 69 -20.051 -9.130 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.179 -8.030 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.812 -7.343 -5.420 1.00 0.00 H new ATOM 1105 N VAL A 70 -17.971 -6.852 -6.855 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.785 -6.007 -6.913 1.00 0.00 C ATOM 1107 C VAL A 70 -15.922 -6.177 -5.664 1.00 0.00 C ATOM 1108 O VAL A 70 -16.026 -5.404 -4.711 1.00 0.00 O ATOM 1109 CB VAL A 70 -17.170 -4.525 -7.080 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -15.933 -3.637 -7.106 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -17.997 -4.329 -8.341 1.00 0.00 C ATOM 0 H VAL A 70 -18.146 -7.387 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.206 -6.321 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 70 -17.774 -4.234 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.235 -2.596 -7.225 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.384 -3.751 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.294 -3.927 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -18.260 -3.276 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.418 -4.644 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.907 -4.926 -8.276 1.00 0.00 H new ATOM 1121 N GLY A 71 -15.079 -7.205 -5.674 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.207 -7.467 -4.547 1.00 0.00 C ATOM 1123 C GLY A 71 -12.872 -8.046 -4.973 1.00 0.00 C ATOM 1124 O GLY A 71 -12.798 -9.195 -5.411 1.00 0.00 O ATOM 0 H GLY A 71 -14.985 -7.863 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.040 -6.541 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.699 -8.159 -3.863 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.816 -7.250 -4.843 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.491 -7.703 -5.226 1.00 0.00 C ATOM 1130 C GLY A 72 -9.542 -7.802 -4.051 1.00 0.00 C ATOM 1131 O GLY A 72 -9.838 -8.466 -3.058 1.00 0.00 O ATOM 0 H GLY A 72 -11.854 -6.298 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.570 -8.678 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.077 -7.017 -5.965 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.397 -7.135 -4.166 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.395 -7.147 -3.115 1.00 0.00 C ATOM 1137 C ILE A 73 -6.605 -5.845 -3.101 1.00 0.00 C ATOM 1138 O ILE A 73 -7.007 -4.853 -3.708 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.398 -8.312 -3.267 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.770 -8.331 -4.657 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.052 -9.646 -2.952 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.410 -8.993 -4.671 1.00 0.00 C ATOM 0 H ILE A 73 -8.143 -6.578 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.942 -7.270 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.600 -8.151 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.433 -8.857 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.676 -7.309 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.321 -10.446 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.420 -9.638 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.885 -9.813 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.009 -8.979 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.736 -8.453 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.504 -10.025 -4.332 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.479 -5.863 -2.398 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.619 -4.698 -2.293 1.00 0.00 C ATOM 1156 C TYR A 74 -3.165 -5.095 -2.547 1.00 0.00 C ATOM 1157 O TYR A 74 -2.484 -5.594 -1.652 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.770 -4.077 -0.901 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.158 -4.243 -0.314 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.522 -5.411 0.348 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.104 -3.234 -0.419 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.784 -5.567 0.884 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.370 -3.387 0.119 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.703 -4.553 0.767 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.963 -4.704 1.302 1.00 0.00 O ATOM 0 H TYR A 74 -5.141 -6.680 -1.890 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.910 -3.963 -3.043 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.043 -4.531 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.532 -3.015 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.803 -6.211 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.849 -2.316 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.048 -6.482 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.095 -2.592 0.030 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.489 -3.895 1.133 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.699 -4.879 -3.777 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.330 -5.226 -4.150 1.00 0.00 C ATOM 1177 C VAL A 75 -0.365 -4.115 -3.770 1.00 0.00 C ATOM 1178 O VAL A 75 -0.286 -3.092 -4.446 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.206 -5.510 -5.660 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.248 -5.737 -6.048 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.057 -6.707 -6.049 1.00 0.00 C ATOM 0 H VAL A 75 -3.249 -4.466 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.074 -6.133 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.571 -4.638 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.312 -5.936 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.832 -4.848 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.643 -6.590 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.957 -6.892 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.724 -7.585 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.101 -6.503 -5.812 1.00 0.00 H new ATOM 1191 N VAL A 76 0.373 -4.328 -2.690 1.00 0.00 N ATOM 1192 CA VAL A 76 1.326 -3.333 -2.207 1.00 0.00 C ATOM 1193 C VAL A 76 2.769 -3.683 -2.573 1.00 0.00 C ATOM 1194 O VAL A 76 3.259 -4.759 -2.233 1.00 0.00 O ATOM 1195 CB VAL A 76 1.231 -3.182 -0.678 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.118 -2.045 -0.197 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.211 -2.967 -0.244 1.00 0.00 C ATOM 0 H VAL A 76 0.332 -5.180 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 76 1.061 -2.395 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 76 1.585 -4.106 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.037 -1.954 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.153 -2.252 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.800 -1.113 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.253 -2.863 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.600 -2.062 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.814 -3.822 -0.550 1.00 0.00 H new ATOM 1207 N LEU A 77 3.442 -2.765 -3.273 1.00 0.00 N ATOM 1208 CA LEU A 77 4.839 -2.958 -3.651 1.00 0.00 C ATOM 1209 C LEU A 77 5.714 -1.962 -2.914 1.00 0.00 C ATOM 1210 O LEU A 77 5.916 -0.842 -3.374 1.00 0.00 O ATOM 1211 CB LEU A 77 5.027 -2.792 -5.159 1.00 0.00 C ATOM 1212 CG LEU A 77 4.347 -3.861 -6.018 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.665 -3.644 -7.489 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.773 -5.255 -5.579 1.00 0.00 C ATOM 0 H LEU A 77 3.039 -1.882 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 77 5.129 -3.972 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.644 -1.814 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.095 -2.795 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 77 3.269 -3.775 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.173 -4.413 -8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.307 -2.662 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.743 -3.701 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.278 -6.000 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.853 -5.355 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.493 -5.410 -4.537 1.00 0.00 H new ATOM 1226 N VAL A 78 6.244 -2.373 -1.776 1.00 0.00 N ATOM 1227 CA VAL A 78 7.076 -1.482 -0.976 1.00 0.00 C ATOM 1228 C VAL A 78 8.548 -1.629 -1.343 1.00 0.00 C ATOM 1229 O VAL A 78 9.189 -2.627 -1.014 1.00 0.00 O ATOM 1230 CB VAL A 78 6.882 -1.718 0.534 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.891 -0.390 1.286 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.582 -2.466 0.796 1.00 0.00 C ATOM 0 H VAL A 78 6.117 -3.307 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 78 6.758 -0.464 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 78 7.710 -2.328 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.753 -0.574 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.845 0.113 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.082 0.241 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.462 -2.623 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.743 -1.881 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.608 -3.430 0.288 1.00 0.00 H new ATOM 1242 N LYS A 79 9.069 -0.619 -2.033 1.00 0.00 N ATOM 1243 CA LYS A 79 10.460 -0.615 -2.473 1.00 0.00 C ATOM 1244 C LYS A 79 11.292 0.399 -1.688 1.00 0.00 C ATOM 1245 O LYS A 79 11.325 1.576 -2.037 1.00 0.00 O ATOM 1246 CB LYS A 79 10.531 -0.283 -3.964 1.00 0.00 C ATOM 1247 CG LYS A 79 10.335 -1.489 -4.870 1.00 0.00 C ATOM 1248 CD LYS A 79 10.439 -1.108 -6.338 1.00 0.00 C ATOM 1249 CE LYS A 79 9.304 -0.189 -6.763 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.392 0.176 -8.203 1.00 0.00 N ATOM 0 H LYS A 79 8.544 0.213 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 79 10.871 -1.608 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.771 0.463 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.499 0.169 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.083 -2.246 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.359 -1.935 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.394 -0.614 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.425 -2.010 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.349 -0.679 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.325 0.717 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.600 0.803 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.291 0.667 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.346 -0.686 -8.783 1.00 0.00 H new ATOM 1264 N PRO A 80 11.979 -0.040 -0.617 1.00 0.00 N ATOM 1265 CA PRO A 80 12.812 0.850 0.192 1.00 0.00 C ATOM 1266 C PRO A 80 13.815 1.621 -0.658 1.00 0.00 C ATOM 1267 O PRO A 80 14.842 1.084 -1.073 1.00 0.00 O ATOM 1268 CB PRO A 80 13.535 -0.086 1.166 1.00 0.00 C ATOM 1269 CG PRO A 80 13.278 -1.472 0.670 1.00 0.00 C ATOM 1270 CD PRO A 80 11.995 -1.418 -0.109 1.00 0.00 C ATOM 0 HA PRO A 80 12.215 1.609 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.604 0.127 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.160 0.041 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.099 -1.817 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.197 -2.172 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.983 -2.148 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.130 -1.627 0.521 1.00 0.00 H new ATOM 1278 N ARG A 81 13.500 2.884 -0.912 1.00 0.00 N ATOM 1279 CA ARG A 81 14.353 3.745 -1.721 1.00 0.00 C ATOM 1280 C ARG A 81 15.700 3.990 -1.048 1.00 0.00 C ATOM 1281 O ARG A 81 16.748 3.911 -1.689 1.00 0.00 O ATOM 1282 CB ARG A 81 13.659 5.082 -1.980 1.00 0.00 C ATOM 1283 CG ARG A 81 13.180 5.254 -3.409 1.00 0.00 C ATOM 1284 CD ARG A 81 12.317 6.495 -3.553 1.00 0.00 C ATOM 1285 NE ARG A 81 11.946 6.748 -4.943 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.261 7.817 -5.341 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.875 8.728 -4.457 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.961 7.975 -6.623 1.00 0.00 N ATOM 0 H ARG A 81 12.654 3.338 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 81 14.532 3.236 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.807 5.175 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.347 5.892 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.038 5.325 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.611 4.375 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.415 6.380 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.854 7.358 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 81 12.228 6.067 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.103 8.610 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.350 9.547 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.255 7.276 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.436 8.795 -6.927 1.00 0.00 H new ATOM 1302 N LYS A 82 15.664 4.287 0.246 1.00 0.00 N ATOM 1303 CA LYS A 82 16.880 4.559 1.002 1.00 0.00 C ATOM 1304 C LYS A 82 17.224 3.394 1.923 1.00 0.00 C ATOM 1305 O LYS A 82 16.456 2.441 2.050 1.00 0.00 O ATOM 1306 CB LYS A 82 16.713 5.840 1.824 1.00 0.00 C ATOM 1307 CG LYS A 82 16.211 7.023 1.011 1.00 0.00 C ATOM 1308 CD LYS A 82 16.068 8.269 1.868 1.00 0.00 C ATOM 1309 CE LYS A 82 15.475 9.424 1.078 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.322 9.792 -0.090 1.00 0.00 N ATOM 0 H LYS A 82 14.805 4.345 0.793 1.00 0.00 H new ATOM 0 HA LYS A 82 17.698 4.689 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.017 5.650 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.671 6.100 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.902 7.222 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.248 6.776 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.433 8.050 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.044 8.557 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.478 9.153 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.361 10.289 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.989 10.692 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.310 9.895 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.259 9.047 -0.813 1.00 0.00 H new ATOM 1324 N ARG A 83 18.387 3.477 2.563 1.00 0.00 N ATOM 1325 CA ARG A 83 18.836 2.431 3.472 1.00 0.00 C ATOM 1326 C ARG A 83 18.792 2.916 4.918 1.00 0.00 C ATOM 1327 O ARG A 83 19.091 4.076 5.203 1.00 0.00 O ATOM 1328 CB ARG A 83 20.256 1.994 3.115 1.00 0.00 C ATOM 1329 CG ARG A 83 20.446 1.705 1.636 1.00 0.00 C ATOM 1330 CD ARG A 83 21.907 1.459 1.297 1.00 0.00 C ATOM 1331 NE ARG A 83 22.440 0.286 1.983 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.675 -0.175 1.804 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.500 0.438 0.966 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.086 -1.249 2.464 1.00 0.00 N ATOM 0 H ARG A 83 19.035 4.259 2.468 1.00 0.00 H new ATOM 0 HA ARG A 83 18.163 1.579 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.955 2.774 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.508 1.101 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.855 0.833 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.072 2.544 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.012 1.327 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.494 2.336 1.569 1.00 0.00 H new ATOM 0 HE ARG A 83 21.832 -0.208 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.188 1.265 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.446 0.082 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.455 -1.723 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.033 -1.601 2.326 1.00 0.00 H new ATOM 1348 N GLY A 84 18.418 2.021 5.825 1.00 0.00 N ATOM 1349 CA GLY A 84 18.342 2.376 7.230 1.00 0.00 C ATOM 1350 C GLY A 84 17.097 1.827 7.896 1.00 0.00 C ATOM 1351 O GLY A 84 16.576 0.788 7.491 1.00 0.00 O ATOM 0 H GLY A 84 18.166 1.056 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.224 1.997 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.356 3.461 7.329 1.00 0.00 H new ATOM 1355 N HIS A 85 16.618 2.525 8.919 1.00 0.00 N ATOM 1356 CA HIS A 85 15.425 2.097 9.639 1.00 0.00 C ATOM 1357 C HIS A 85 14.164 2.640 8.978 1.00 0.00 C ATOM 1358 O HIS A 85 13.723 3.751 9.275 1.00 0.00 O ATOM 1359 CB HIS A 85 15.486 2.550 11.097 1.00 0.00 C ATOM 1360 CG HIS A 85 16.650 1.987 11.852 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.797 2.708 12.115 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.842 0.765 12.402 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.642 1.953 12.795 1.00 0.00 C ATOM 1364 NE2 HIS A 85 18.087 0.771 12.982 1.00 0.00 N ATOM 0 H HIS A 85 17.036 3.387 9.268 1.00 0.00 H new ATOM 0 HA HIS A 85 15.390 1.008 9.609 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.535 3.638 11.129 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.563 2.258 11.598 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.146 -0.061 12.387 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.621 2.253 13.139 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.514 -0.012 13.477 1.00 0.00 H new ATOM 1373 N HIS A 86 13.594 1.852 8.074 1.00 0.00 N ATOM 1374 CA HIS A 86 12.380 2.246 7.368 1.00 0.00 C ATOM 1375 C HIS A 86 11.194 1.423 7.849 1.00 0.00 C ATOM 1376 O HIS A 86 11.363 0.315 8.357 1.00 0.00 O ATOM 1377 CB HIS A 86 12.554 2.070 5.859 1.00 0.00 C ATOM 1378 CG HIS A 86 13.643 2.918 5.282 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.473 3.706 6.051 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.036 3.102 3.999 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.329 4.337 5.267 1.00 0.00 C ATOM 1382 NE2 HIS A 86 15.085 3.987 4.018 1.00 0.00 N ATOM 0 H HIS A 86 13.954 0.934 7.812 1.00 0.00 H new ATOM 0 HA HIS A 86 12.191 3.298 7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.768 1.023 5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.614 2.311 5.362 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.432 3.789 7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.604 2.639 3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.097 5.022 5.593 1.00 0.00 H new ATOM 1391 N THR A 87 9.993 1.965 7.684 1.00 0.00 N ATOM 1392 CA THR A 87 8.789 1.269 8.112 1.00 0.00 C ATOM 1393 C THR A 87 7.544 1.812 7.421 1.00 0.00 C ATOM 1394 O THR A 87 7.484 2.984 7.046 1.00 0.00 O ATOM 1395 CB THR A 87 8.594 1.378 9.636 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.736 0.849 10.319 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.347 0.629 10.073 1.00 0.00 C ATOM 0 H THR A 87 9.829 2.878 7.260 1.00 0.00 H new ATOM 0 HA THR A 87 8.923 0.224 7.833 1.00 0.00 H new ATOM 0 HB THR A 87 8.478 2.432 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.470 0.062 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.228 0.719 11.153 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.475 1.053 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.442 -0.423 9.805 1.00 0.00 H new ATOM 1405 N LEU A 88 6.553 0.943 7.261 1.00 0.00 N ATOM 1406 CA LEU A 88 5.292 1.309 6.640 1.00 0.00 C ATOM 1407 C LEU A 88 4.152 0.878 7.549 1.00 0.00 C ATOM 1408 O LEU A 88 4.231 -0.173 8.175 1.00 0.00 O ATOM 1409 CB LEU A 88 5.161 0.639 5.275 1.00 0.00 C ATOM 1410 CG LEU A 88 4.183 1.309 4.313 1.00 0.00 C ATOM 1411 CD1 LEU A 88 4.603 2.746 4.035 1.00 0.00 C ATOM 1412 CD2 LEU A 88 4.102 0.516 3.021 1.00 0.00 C ATOM 0 H LEU A 88 6.603 -0.031 7.558 1.00 0.00 H new ATOM 0 HA LEU A 88 5.256 2.389 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.145 0.610 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.849 -0.395 5.424 1.00 0.00 H new ATOM 0 HG LEU A 88 3.196 1.329 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.893 3.206 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.619 3.308 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.598 2.755 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.402 1.000 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.088 0.473 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.758 -0.496 3.236 1.00 0.00 H new ATOM 1424 N GLU A 89 3.096 1.677 7.628 1.00 0.00 N ATOM 1425 CA GLU A 89 1.978 1.341 8.501 1.00 0.00 C ATOM 1426 C GLU A 89 0.658 1.271 7.745 1.00 0.00 C ATOM 1427 O GLU A 89 -0.076 2.252 7.666 1.00 0.00 O ATOM 1428 CB GLU A 89 1.872 2.357 9.636 1.00 0.00 C ATOM 1429 CG GLU A 89 3.218 2.888 10.100 1.00 0.00 C ATOM 1430 CD GLU A 89 3.094 3.855 11.261 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.955 5.071 11.008 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.137 3.398 12.422 1.00 0.00 O ATOM 0 H GLU A 89 2.990 2.548 7.108 1.00 0.00 H new ATOM 0 HA GLU A 89 2.175 0.351 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.254 3.193 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.362 1.895 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.852 2.052 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.714 3.387 9.268 1.00 0.00 H new ATOM 1439 N LEU A 90 0.362 0.108 7.185 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.885 -0.087 6.461 1.00 0.00 C ATOM 1441 C LEU A 90 -2.041 -0.225 7.440 1.00 0.00 C ATOM 1442 O LEU A 90 -2.000 -1.054 8.351 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.798 -1.323 5.566 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.022 -1.125 4.263 1.00 0.00 C ATOM 1445 CD1 LEU A 90 1.341 -0.505 4.529 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.121 -2.444 3.519 1.00 0.00 C ATOM 0 H LEU A 90 0.966 -0.713 7.218 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.060 0.784 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.330 -2.130 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.809 -1.649 5.323 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.587 -0.436 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.872 -0.375 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.212 0.465 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.917 -1.160 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.676 -2.282 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.657 -3.158 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.868 -2.838 3.284 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.062 0.601 7.260 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.226 0.574 8.137 1.00 0.00 C ATOM 1460 C VAL A 91 -5.520 0.321 7.356 1.00 0.00 C ATOM 1461 O VAL A 91 -5.597 0.583 6.150 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.355 1.903 8.906 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.646 3.048 7.945 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.424 1.807 9.985 1.00 0.00 C ATOM 0 H VAL A 91 -3.109 1.297 6.516 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.077 -0.247 8.839 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.405 2.107 9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.734 3.979 8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.833 3.133 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.580 2.852 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.495 2.758 10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.385 1.575 9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.159 1.019 10.691 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.530 -0.197 8.057 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.834 -0.473 7.459 1.00 0.00 C ATOM 1476 C TYR A 92 -8.822 0.621 7.864 1.00 0.00 C ATOM 1477 O TYR A 92 -9.423 0.556 8.933 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.339 -1.843 7.923 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.366 -2.479 7.011 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.200 -2.479 5.632 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.497 -3.094 7.534 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.132 -3.069 4.800 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.433 -3.689 6.709 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.245 -3.674 5.343 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.172 -4.267 4.517 1.00 0.00 O ATOM 0 H TYR A 92 -6.467 -0.435 9.047 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.741 -0.484 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.487 -2.517 8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.772 -1.738 8.918 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.327 -2.010 5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.647 -3.107 8.603 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.989 -3.056 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.307 -4.163 7.132 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.362 -5.174 4.836 1.00 0.00 H new ATOM 1495 N THR A 93 -8.989 1.621 7.000 1.00 0.00 N ATOM 1496 CA THR A 93 -9.871 2.751 7.299 1.00 0.00 C ATOM 1497 C THR A 93 -10.925 2.982 6.226 1.00 0.00 C ATOM 1498 O THR A 93 -10.864 2.411 5.150 1.00 0.00 O ATOM 1499 CB THR A 93 -9.054 4.036 7.415 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.926 5.164 7.554 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.186 4.209 6.183 1.00 0.00 C ATOM 0 H THR A 93 -8.528 1.673 6.091 1.00 0.00 H new ATOM 0 HA THR A 93 -10.371 2.502 8.235 1.00 0.00 H new ATOM 0 HB THR A 93 -8.417 3.969 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.776 5.787 6.812 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.606 5.128 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.509 3.360 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.819 4.264 5.297 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.882 3.855 6.533 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.942 4.196 5.595 1.00 0.00 C ATOM 1511 C ARG A 94 -12.649 5.546 4.938 1.00 0.00 C ATOM 1512 O ARG A 94 -12.985 6.592 5.492 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.292 4.255 6.311 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.668 2.963 7.016 1.00 0.00 C ATOM 1515 CD ARG A 94 -16.034 3.064 7.676 1.00 0.00 C ATOM 1516 NE ARG A 94 -17.090 3.343 6.707 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.370 3.495 7.035 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.751 3.395 8.301 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.270 3.747 6.094 1.00 0.00 N ATOM 0 H ARG A 94 -11.942 4.339 7.429 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.983 3.424 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.271 5.064 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.067 4.501 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.670 2.143 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.916 2.726 7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.256 2.132 8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.016 3.852 8.429 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.832 3.426 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.062 3.201 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.734 3.512 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.981 3.824 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.252 3.864 6.345 1.00 0.00 H new ATOM 1533 N PRO A 95 -12.003 5.541 3.754 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.663 6.770 3.030 1.00 0.00 C ATOM 1535 C PRO A 95 -12.813 7.775 3.000 1.00 0.00 C ATOM 1536 O PRO A 95 -12.593 8.982 2.913 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.362 6.264 1.621 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.842 4.883 1.820 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.546 4.336 3.033 1.00 0.00 C ATOM 0 HA PRO A 95 -10.838 7.306 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.258 6.264 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.628 6.896 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.038 4.264 0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.762 4.892 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.383 3.696 2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.875 3.734 3.646 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.036 7.263 3.073 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.222 8.094 3.054 1.00 0.00 C ATOM 1549 C PHE A 96 -15.382 8.870 4.360 1.00 0.00 C ATOM 1550 O PHE A 96 -15.654 10.070 4.349 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.439 7.210 2.811 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.406 6.494 1.490 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.642 5.350 1.326 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.137 6.966 0.411 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.605 4.690 0.113 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.105 6.310 -0.805 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.339 5.171 -0.954 1.00 0.00 C ATOM 0 H PHE A 96 -14.227 6.264 3.147 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.126 8.825 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.510 6.474 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.339 7.823 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.068 4.969 2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.738 7.856 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.004 3.800 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.679 6.688 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.314 4.657 -1.903 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.212 8.178 5.484 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.342 8.803 6.796 1.00 0.00 C ATOM 1569 C GLU A 97 -13.993 9.296 7.310 1.00 0.00 C ATOM 1570 O GLU A 97 -13.762 10.499 7.427 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.947 7.816 7.800 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.352 7.363 7.437 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.338 8.513 7.373 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.940 8.839 8.418 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.507 9.089 6.277 1.00 0.00 O ATOM 0 H GLU A 97 -14.984 7.184 5.512 1.00 0.00 H new ATOM 0 HA GLU A 97 -16.005 9.662 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.300 6.942 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.967 8.280 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.328 6.856 6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.696 6.635 8.172 1.00 0.00 H new ATOM 1582 N GLY A 98 -13.109 8.353 7.616 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.795 8.696 8.127 1.00 0.00 C ATOM 1584 C GLY A 98 -11.146 7.537 8.838 1.00 0.00 C ATOM 1585 O GLY A 98 -11.774 6.501 9.059 1.00 0.00 O ATOM 0 H GLY A 98 -13.280 7.352 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.158 9.018 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.881 9.539 8.812 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.886 7.713 9.200 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.140 6.670 9.878 1.00 0.00 C ATOM 1591 C ILE A 99 -9.365 6.725 11.383 1.00 0.00 C ATOM 1592 O ILE A 99 -9.410 7.802 11.977 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.643 6.782 9.567 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.442 7.233 8.117 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.965 5.443 9.812 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.051 7.757 7.829 1.00 0.00 C ATOM 0 H ILE A 99 -9.359 8.570 9.035 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.504 5.711 9.510 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.192 7.526 10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.649 6.394 7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.169 8.011 7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.901 5.528 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.096 5.154 10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.411 4.686 9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.985 8.057 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.847 8.617 8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.319 6.975 8.029 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.507 5.553 11.990 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.753 5.459 13.422 1.00 0.00 C ATOM 1610 C LYS A 100 -8.767 4.502 14.092 1.00 0.00 C ATOM 1611 O LYS A 100 -8.095 3.721 13.420 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.191 4.995 13.662 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.064 5.088 12.422 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.537 4.908 12.751 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.189 6.228 13.125 1.00 0.00 C ATOM 1616 NZ LYS A 100 -13.591 6.818 14.355 1.00 0.00 N ATOM 0 H LYS A 100 -9.456 4.654 11.511 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.609 6.445 13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.179 3.963 14.014 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.633 5.597 14.456 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.914 6.056 11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.757 4.328 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.052 4.477 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.643 4.202 13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.085 6.931 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.257 6.074 13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.238 7.532 14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.435 6.069 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.683 7.266 14.119 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.667 4.560 15.433 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.760 3.706 16.204 1.00 0.00 C ATOM 1632 C PRO A 101 -8.228 2.256 16.243 1.00 0.00 C ATOM 1633 O PRO A 101 -7.419 1.328 16.236 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.797 4.312 17.617 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.509 5.614 17.479 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.426 5.461 16.306 1.00 0.00 C ATOM 0 HA PRO A 101 -6.763 3.679 15.765 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.317 3.653 18.312 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.790 4.456 18.008 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.069 5.850 18.384 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.804 6.429 17.319 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.387 5.035 16.594 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.633 6.416 15.824 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.542 2.074 16.284 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.135 0.740 16.326 1.00 0.00 C ATOM 1646 C GLU A 102 -10.058 0.058 14.962 1.00 0.00 C ATOM 1647 O GLU A 102 -10.691 -0.974 14.736 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.589 0.830 16.771 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.420 1.705 15.862 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.878 1.765 16.272 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.663 0.916 15.798 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.236 2.659 17.068 1.00 0.00 O ATOM 0 H GLU A 102 -10.221 2.835 16.289 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.569 0.143 17.041 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.019 -0.171 16.799 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.631 1.224 17.787 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.007 2.714 15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.350 1.329 14.841 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.278 0.641 14.060 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.122 0.101 12.715 1.00 0.00 C ATOM 1661 C ASN A 103 -7.994 -0.925 12.654 1.00 0.00 C ATOM 1662 O ASN A 103 -7.027 -0.846 13.413 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.847 1.240 11.734 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.085 2.067 11.438 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.027 2.086 12.374 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.195 2.681 10.378 1.00 0.00 N flip ATOM 0 H ASN A 103 -8.742 1.491 14.236 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.048 -0.405 12.441 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.071 1.887 12.143 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.459 0.827 10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.448 2.640 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.034 3.231 10.192 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.129 -1.889 11.744 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.127 -2.931 11.568 1.00 0.00 C ATOM 1675 C GLU A 104 -5.751 -2.317 11.328 1.00 0.00 C ATOM 1676 O GLU A 104 -5.638 -1.143 10.975 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.515 -3.831 10.397 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.186 -5.297 10.617 1.00 0.00 C ATOM 1679 CD GLU A 104 -8.016 -6.220 9.745 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.213 -6.406 10.052 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.470 -6.757 8.759 1.00 0.00 O ATOM 0 H GLU A 104 -8.929 -1.967 11.116 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.081 -3.530 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.585 -3.732 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.004 -3.484 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.129 -5.463 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.350 -5.549 11.665 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.711 -3.121 11.512 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.342 -2.649 11.330 1.00 0.00 C ATOM 1690 C ARG A 105 -2.534 -3.614 10.470 1.00 0.00 C ATOM 1691 O ARG A 105 -2.948 -4.747 10.235 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.660 -2.493 12.697 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.296 -1.820 12.640 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.445 -0.313 12.701 1.00 0.00 C ATOM 1695 NE ARG A 105 -2.098 0.103 13.934 1.00 0.00 N ATOM 1696 CZ ARG A 105 -2.215 1.370 14.321 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.721 2.344 13.569 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.826 1.663 15.461 1.00 0.00 N ATOM 0 H ARG A 105 -4.788 -4.100 11.786 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.383 -1.685 10.822 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.311 -1.914 13.352 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.548 -3.478 13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.679 -2.164 13.470 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.782 -2.104 11.722 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.463 0.155 12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.025 0.033 11.845 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.489 -0.621 14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.250 2.122 12.692 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.812 3.315 13.868 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.207 0.916 16.042 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.915 2.635 15.757 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.402 -3.127 9.973 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.477 -3.924 9.182 1.00 0.00 C ATOM 1714 C TYR A 106 0.771 -3.100 8.898 1.00 0.00 C ATOM 1715 O TYR A 106 0.994 -2.635 7.783 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.125 -4.418 7.887 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.253 -5.370 7.093 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.281 -6.736 7.344 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.598 -4.904 6.098 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.512 -7.610 6.627 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.395 -5.772 5.376 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.348 -7.123 5.644 1.00 0.00 C ATOM 1723 OH TYR A 106 2.139 -7.991 4.928 1.00 0.00 O ATOM 0 H TYR A 106 -1.101 -2.162 10.110 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.199 -4.812 9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.064 -4.915 8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.370 -3.558 7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.934 -7.121 8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.637 -3.846 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.478 -8.669 6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.051 -5.394 4.606 1.00 0.00 H new ATOM 0 HH TYR A 106 1.695 -8.862 4.866 1.00 0.00 H new ATOM 1733 N THR A 107 1.570 -2.904 9.943 1.00 0.00 N ATOM 1734 CA THR A 107 2.791 -2.121 9.845 1.00 0.00 C ATOM 1735 C THR A 107 3.955 -2.963 9.341 1.00 0.00 C ATOM 1736 O THR A 107 4.554 -3.729 10.094 1.00 0.00 O ATOM 1737 CB THR A 107 3.161 -1.509 11.209 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.039 -0.803 11.751 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.341 -0.560 11.076 1.00 0.00 C ATOM 0 H THR A 107 1.389 -3.281 10.873 1.00 0.00 H new ATOM 0 HA THR A 107 2.601 -1.322 9.129 1.00 0.00 H new ATOM 0 HB THR A 107 3.440 -2.321 11.880 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.868 -1.113 12.665 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.583 -0.141 12.053 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.204 -1.104 10.691 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.084 0.246 10.389 1.00 0.00 H new ATOM 1747 N LEU A 108 4.277 -2.810 8.061 1.00 0.00 N ATOM 1748 CA LEU A 108 5.367 -3.558 7.455 1.00 0.00 C ATOM 1749 C LEU A 108 6.717 -2.942 7.810 1.00 0.00 C ATOM 1750 O LEU A 108 7.221 -2.070 7.102 1.00 0.00 O ATOM 1751 CB LEU A 108 5.195 -3.610 5.935 1.00 0.00 C ATOM 1752 CG LEU A 108 6.350 -4.263 5.172 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.523 -5.713 5.597 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.114 -4.172 3.673 1.00 0.00 C ATOM 0 H LEU A 108 3.797 -2.174 7.425 1.00 0.00 H new ATOM 0 HA LEU A 108 5.341 -4.574 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.277 -4.152 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.065 -2.593 5.565 1.00 0.00 H new ATOM 0 HG LEU A 108 7.267 -3.725 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.349 -6.159 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.737 -5.756 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.607 -6.265 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.944 -4.641 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.186 -4.685 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.042 -3.125 3.379 1.00 0.00 H new ATOM 1766 N HIS A 109 7.290 -3.394 8.922 1.00 0.00 N ATOM 1767 CA HIS A 109 8.587 -2.903 9.369 1.00 0.00 C ATOM 1768 C HIS A 109 9.707 -3.523 8.544 1.00 0.00 C ATOM 1769 O HIS A 109 9.707 -4.727 8.281 1.00 0.00 O ATOM 1770 CB HIS A 109 8.791 -3.210 10.844 1.00 0.00 C ATOM 1771 CG HIS A 109 8.378 -2.105 11.761 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.262 -1.177 12.269 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.166 -1.785 12.270 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.612 -0.334 13.052 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.339 -0.680 13.068 1.00 0.00 N ATOM 0 H HIS A 109 6.875 -4.100 9.530 1.00 0.00 H new ATOM 0 HA HIS A 109 8.610 -1.822 9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.228 -4.108 11.098 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.844 -3.435 11.015 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.236 -2.302 12.084 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.048 0.496 13.587 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.602 -0.204 13.589 1.00 0.00 H new ATOM 1784 N LEU A 110 10.671 -2.694 8.167 1.00 0.00 N ATOM 1785 CA LEU A 110 11.790 -3.130 7.340 1.00 0.00 C ATOM 1786 C LEU A 110 13.077 -2.400 7.715 1.00 0.00 C ATOM 1787 O LEU A 110 13.257 -1.231 7.373 1.00 0.00 O ATOM 1788 CB LEU A 110 11.477 -2.870 5.861 1.00 0.00 C ATOM 1789 CG LEU A 110 10.283 -3.646 5.295 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.022 -3.240 3.852 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.512 -5.146 5.394 1.00 0.00 C ATOM 0 H LEU A 110 10.701 -1.707 8.423 1.00 0.00 H new ATOM 0 HA LEU A 110 11.935 -4.197 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.292 -1.804 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.360 -3.116 5.272 1.00 0.00 H new ATOM 0 HG LEU A 110 9.404 -3.399 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.171 -3.800 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.804 -2.173 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.903 -3.456 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.650 -5.673 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.404 -5.416 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.647 -5.425 6.439 1.00 0.00 H new ATOM 1803 N ASN A 111 13.967 -3.091 8.417 1.00 0.00 N ATOM 1804 CA ASN A 111 15.241 -2.504 8.810 1.00 0.00 C ATOM 1805 C ASN A 111 16.206 -2.572 7.633 1.00 0.00 C ATOM 1806 O ASN A 111 17.135 -3.379 7.619 1.00 0.00 O ATOM 1807 CB ASN A 111 15.821 -3.238 10.022 1.00 0.00 C ATOM 1808 CG ASN A 111 16.893 -2.437 10.741 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.620 -1.606 10.003 1.00 0.00 O flip ATOM 1810 ND2 ASN A 111 17.065 -2.565 11.953 1.00 0.00 N flip ATOM 0 H ASN A 111 13.831 -4.054 8.724 1.00 0.00 H new ATOM 0 HA ASN A 111 15.086 -1.462 9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.016 -3.468 10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.242 -4.189 9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.485 -3.214 12.485 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.787 -2.022 12.426 1.00 0.00 H new ATOM 1817 N VAL A 112 15.969 -1.716 6.646 1.00 0.00 N ATOM 1818 CA VAL A 112 16.788 -1.679 5.441 1.00 0.00 C ATOM 1819 C VAL A 112 18.272 -1.573 5.778 1.00 0.00 C ATOM 1820 O VAL A 112 18.695 -0.657 6.484 1.00 0.00 O ATOM 1821 CB VAL A 112 16.395 -0.500 4.526 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.724 -0.817 3.079 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.920 -0.163 4.673 1.00 0.00 C ATOM 0 H VAL A 112 15.211 -1.034 6.658 1.00 0.00 H new ATOM 0 HA VAL A 112 16.607 -2.616 4.914 1.00 0.00 H new ATOM 0 HB VAL A 112 16.974 0.371 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.440 0.025 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.794 -0.999 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.174 -1.705 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.670 0.671 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.320 -1.031 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.711 0.113 5.707 1.00 0.00 H new ATOM 1833 N LYS A 113 19.057 -2.520 5.272 1.00 0.00 N ATOM 1834 CA LYS A 113 20.492 -2.537 5.516 1.00 0.00 C ATOM 1835 C LYS A 113 21.242 -1.792 4.416 1.00 0.00 C ATOM 1836 O LYS A 113 21.573 -0.606 4.625 1.00 0.00 O ATOM 1837 CB LYS A 113 20.988 -3.979 5.605 1.00 0.00 C ATOM 1838 CG LYS A 113 20.633 -4.668 6.910 1.00 0.00 C ATOM 1839 CD LYS A 113 21.350 -4.038 8.091 1.00 0.00 C ATOM 1840 CE LYS A 113 21.018 -4.760 9.383 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.714 -4.157 10.553 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.492 -2.401 3.354 1.00 0.00 O ATOM 0 H LYS A 113 18.720 -3.286 4.689 1.00 0.00 H new ATOM 0 HA LYS A 113 20.685 -2.031 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.568 -4.550 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.071 -3.989 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.556 -4.615 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.895 -5.724 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.427 -4.065 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.066 -2.989 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.941 -4.732 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.300 -5.809 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.460 -4.680 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.743 -4.207 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.426 -3.163 10.654 1.00 0.00 H new TER 1856 LYS A 113