USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 778 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 47 MET CE :methyl -145:sc= -1.43 (180deg=-2.04) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.782 K(o=-2.2,f=-10!) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.657 K(o=-6.5,f=-8.2!) USER MOD Set 2.2: A 77 MET CE :methyl 148:sc= -5.85! (180deg=-7.36!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.66 USER MOD Single : A 3 SER OG : rot 43:sc= 0.197 USER MOD Single : A 5 SER OG : rot -140:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.853 X(o=-0.85,f=-1.3!) USER MOD Single : A 14 GLN : amide:sc= -1.25 X(o=-1.2,f=-0.78) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.37 F(o=-2.7!,f=-1.4) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0133 USER MOD Single : A 46 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-2.3) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= -0.594 (180deg=-3.49!) USER MOD Single : A 53 THR OG1 : rot -75:sc= 0.489 USER MOD Single : A 55 GLN : amide:sc= -0.807 K(o=-0.81,f=-3.9!) USER MOD Single : A 57 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.29) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.0216 (180deg=-0.189) USER MOD Single : A 79 MET CE :methyl -126:sc= -1.7 (180deg=-10.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.391 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0.324 (180deg=0.309) USER MOD Single : A 90 ASN : amide:sc= -5.49! C(o=-5.5!,f=-10!) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= -1.53 (180deg=-1.79) USER MOD Single : A 93 SER OG : rot -179:sc=-0.00223 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.885 F(o=-2.6!,f=-0.89) USER MOD Single : A 96 ASN : amide:sc= -0.954 K(o=-0.95,f=-11!) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.214 (180deg=-0.503) USER MOD Single : A 98 ASN : amide:sc= -2.49 K(o=-2.5,f=-7.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.394 6.843 21.188 1.00 0.00 N ATOM 2 CA GLY A 1 -8.626 7.533 20.168 1.00 0.00 C ATOM 3 C GLY A 1 -9.285 8.822 19.719 1.00 0.00 C ATOM 4 O GLY A 1 -9.228 9.833 20.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.902 5.969 21.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.496 7.457 22.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.335 6.608 20.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.630 7.753 20.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.497 6.876 19.308 1.00 0.00 H new ATOM 8 N SER A 2 -9.911 8.789 18.547 1.00 0.00 N ATOM 9 CA SER A 2 -10.579 9.966 18.003 1.00 0.00 C ATOM 10 C SER A 2 -9.573 11.077 17.718 1.00 0.00 C ATOM 11 O SER A 2 -9.817 12.244 18.025 1.00 0.00 O ATOM 12 CB SER A 2 -11.648 10.467 18.976 1.00 0.00 C ATOM 13 OG SER A 2 -12.375 11.549 18.422 1.00 0.00 O ATOM 0 H SER A 2 -9.970 7.960 17.956 1.00 0.00 H new ATOM 0 HA SER A 2 -11.057 9.682 17.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.331 9.654 19.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.178 10.780 19.908 1.00 0.00 H new ATOM 0 HG SER A 2 -11.751 12.244 18.125 1.00 0.00 H new ATOM 19 N SER A 3 -8.442 10.705 17.127 1.00 0.00 N ATOM 20 CA SER A 3 -7.397 11.669 16.803 1.00 0.00 C ATOM 21 C SER A 3 -7.447 12.049 15.326 1.00 0.00 C ATOM 22 O SER A 3 -7.285 11.201 14.449 1.00 0.00 O ATOM 23 CB SER A 3 -6.021 11.096 17.147 1.00 0.00 C ATOM 24 OG SER A 3 -5.847 9.810 16.579 1.00 0.00 O ATOM 0 H SER A 3 -8.226 9.744 16.863 1.00 0.00 H new ATOM 0 HA SER A 3 -7.568 12.567 17.397 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.243 11.766 16.782 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.909 11.037 18.230 1.00 0.00 H new ATOM 0 HG SER A 3 -6.192 9.808 15.662 1.00 0.00 H new ATOM 30 N GLY A 4 -7.674 13.331 15.058 1.00 0.00 N ATOM 31 CA GLY A 4 -7.743 13.802 13.687 1.00 0.00 C ATOM 32 C GLY A 4 -6.914 15.051 13.461 1.00 0.00 C ATOM 33 O GLY A 4 -7.209 16.109 14.017 1.00 0.00 O ATOM 0 H GLY A 4 -7.811 14.052 15.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.398 13.014 13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.782 14.007 13.428 1.00 0.00 H new ATOM 37 N SER A 5 -5.873 14.929 12.644 1.00 0.00 N ATOM 38 CA SER A 5 -4.995 16.056 12.350 1.00 0.00 C ATOM 39 C SER A 5 -5.631 16.986 11.321 1.00 0.00 C ATOM 40 O SER A 5 -5.659 18.203 11.502 1.00 0.00 O ATOM 41 CB SER A 5 -3.644 15.557 11.836 1.00 0.00 C ATOM 42 OG SER A 5 -2.820 16.638 11.434 1.00 0.00 O ATOM 0 H SER A 5 -5.617 14.061 12.174 1.00 0.00 H new ATOM 0 HA SER A 5 -4.841 16.615 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.143 14.985 12.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.799 14.881 10.995 1.00 0.00 H new ATOM 0 HG SER A 5 -2.339 16.396 10.615 1.00 0.00 H new ATOM 48 N SER A 6 -6.142 16.403 10.242 1.00 0.00 N ATOM 49 CA SER A 6 -6.775 17.178 9.181 1.00 0.00 C ATOM 50 C SER A 6 -5.786 18.162 8.563 1.00 0.00 C ATOM 51 O SER A 6 -6.126 19.312 8.289 1.00 0.00 O ATOM 52 CB SER A 6 -7.989 17.933 9.727 1.00 0.00 C ATOM 53 OG SER A 6 -8.980 17.034 10.194 1.00 0.00 O ATOM 0 H SER A 6 -6.130 15.396 10.079 1.00 0.00 H new ATOM 0 HA SER A 6 -7.105 16.486 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.678 18.590 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.408 18.568 8.946 1.00 0.00 H new ATOM 0 HG SER A 6 -9.745 17.541 10.539 1.00 0.00 H new ATOM 59 N GLY A 7 -4.558 17.700 8.347 1.00 0.00 N ATOM 60 CA GLY A 7 -3.537 18.551 7.764 1.00 0.00 C ATOM 61 C GLY A 7 -2.252 17.801 7.477 1.00 0.00 C ATOM 62 O GLY A 7 -1.359 17.710 8.320 1.00 0.00 O ATOM 0 H GLY A 7 -4.252 16.752 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.915 18.985 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.327 19.378 8.442 1.00 0.00 H new ATOM 66 N PRO A 8 -2.145 17.246 6.260 1.00 0.00 N ATOM 67 CA PRO A 8 -0.963 16.489 5.837 1.00 0.00 C ATOM 68 C PRO A 8 0.258 17.381 5.644 1.00 0.00 C ATOM 69 O PRO A 8 0.135 18.540 5.248 1.00 0.00 O ATOM 70 CB PRO A 8 -1.394 15.876 4.502 1.00 0.00 C ATOM 71 CG PRO A 8 -2.455 16.789 3.991 1.00 0.00 C ATOM 72 CD PRO A 8 -3.170 17.314 5.205 1.00 0.00 C ATOM 0 HA PRO A 8 -0.662 15.753 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.557 15.813 3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.774 14.863 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.022 17.604 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.142 16.258 3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.524 18.334 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.042 16.708 5.452 1.00 0.00 H new ATOM 80 N ILE A 9 1.435 16.833 5.925 1.00 0.00 N ATOM 81 CA ILE A 9 2.679 17.580 5.781 1.00 0.00 C ATOM 82 C ILE A 9 3.347 17.282 4.442 1.00 0.00 C ATOM 83 O ILE A 9 3.203 16.189 3.895 1.00 0.00 O ATOM 84 CB ILE A 9 3.666 17.255 6.917 1.00 0.00 C ATOM 85 CG1 ILE A 9 4.961 18.051 6.741 1.00 0.00 C ATOM 86 CG2 ILE A 9 3.956 15.762 6.956 1.00 0.00 C ATOM 87 CD1 ILE A 9 4.777 19.545 6.892 1.00 0.00 C ATOM 0 H ILE A 9 1.554 15.875 6.254 1.00 0.00 H new ATOM 0 HA ILE A 9 2.419 18.638 5.828 1.00 0.00 H new ATOM 0 HB ILE A 9 3.212 17.542 7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 9 5.692 17.707 7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.375 17.842 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.655 15.548 7.764 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.028 15.215 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.393 15.451 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.736 20.045 6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.071 19.902 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.392 19.765 7.888 1.00 0.00 H new ATOM 99 N SER A 10 4.079 18.262 3.922 1.00 0.00 N ATOM 100 CA SER A 10 4.768 18.106 2.646 1.00 0.00 C ATOM 101 C SER A 10 6.021 17.249 2.807 1.00 0.00 C ATOM 102 O SER A 10 7.093 17.602 2.316 1.00 0.00 O ATOM 103 CB SER A 10 5.142 19.474 2.074 1.00 0.00 C ATOM 104 OG SER A 10 4.062 20.036 1.349 1.00 0.00 O ATOM 0 H SER A 10 4.210 19.172 4.364 1.00 0.00 H new ATOM 0 HA SER A 10 4.092 17.604 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.428 20.145 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.009 19.374 1.421 1.00 0.00 H new ATOM 0 HG SER A 10 4.326 20.911 0.995 1.00 0.00 H new ATOM 110 N GLU A 11 5.875 16.123 3.497 1.00 0.00 N ATOM 111 CA GLU A 11 6.995 15.216 3.723 1.00 0.00 C ATOM 112 C GLU A 11 7.071 14.161 2.624 1.00 0.00 C ATOM 113 O GLU A 11 6.273 14.167 1.687 1.00 0.00 O ATOM 114 CB GLU A 11 6.863 14.538 5.089 1.00 0.00 C ATOM 115 CG GLU A 11 5.647 13.634 5.204 1.00 0.00 C ATOM 116 CD GLU A 11 5.635 12.834 6.492 1.00 0.00 C ATOM 117 OE1 GLU A 11 6.667 12.206 6.809 1.00 0.00 O ATOM 118 OE2 GLU A 11 4.595 12.836 7.183 1.00 0.00 O ATOM 0 H GLU A 11 4.994 15.817 3.909 1.00 0.00 H new ATOM 0 HA GLU A 11 7.914 15.802 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.761 13.951 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.810 15.304 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.742 14.239 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.626 12.950 4.356 1.00 0.00 H new ATOM 125 N ARG A 12 8.037 13.257 2.746 1.00 0.00 N ATOM 126 CA ARG A 12 8.220 12.196 1.762 1.00 0.00 C ATOM 127 C ARG A 12 6.911 11.451 1.517 1.00 0.00 C ATOM 128 O ARG A 12 5.895 11.736 2.150 1.00 0.00 O ATOM 129 CB ARG A 12 9.297 11.216 2.231 1.00 0.00 C ATOM 130 CG ARG A 12 10.708 11.639 1.860 1.00 0.00 C ATOM 131 CD ARG A 12 11.225 12.728 2.786 1.00 0.00 C ATOM 132 NE ARG A 12 12.476 13.308 2.305 1.00 0.00 N ATOM 133 CZ ARG A 12 13.677 12.859 2.654 1.00 0.00 C ATOM 134 NH1 ARG A 12 13.788 11.831 3.483 1.00 0.00 N ATOM 135 NH2 ARG A 12 14.769 13.440 2.174 1.00 0.00 N ATOM 0 H ARG A 12 8.705 13.238 3.516 1.00 0.00 H new ATOM 0 HA ARG A 12 8.539 12.654 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.232 11.109 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.096 10.235 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.372 10.776 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.723 11.998 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.474 13.512 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.377 12.314 3.783 1.00 0.00 H new ATOM 0 HE ARG A 12 12.425 14.101 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.951 11.383 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.711 11.488 3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.687 14.232 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.690 13.095 2.443 1.00 0.00 H new ATOM 149 N ASN A 13 6.944 10.496 0.594 1.00 0.00 N ATOM 150 CA ASN A 13 5.760 9.710 0.264 1.00 0.00 C ATOM 151 C ASN A 13 5.539 8.602 1.289 1.00 0.00 C ATOM 152 O ASN A 13 5.313 7.447 0.928 1.00 0.00 O ATOM 153 CB ASN A 13 5.896 9.107 -1.136 1.00 0.00 C ATOM 154 CG ASN A 13 7.178 8.314 -1.301 1.00 0.00 C ATOM 155 OD1 ASN A 13 7.510 7.469 -0.469 1.00 0.00 O ATOM 156 ND2 ASN A 13 7.905 8.583 -2.379 1.00 0.00 N ATOM 0 H ASN A 13 7.777 10.247 0.061 1.00 0.00 H new ATOM 0 HA ASN A 13 4.896 10.375 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.043 8.458 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.868 9.906 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.777 8.081 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.591 9.292 -3.042 1.00 0.00 H new ATOM 163 N GLN A 14 5.607 8.962 2.566 1.00 0.00 N ATOM 164 CA GLN A 14 5.415 7.998 3.643 1.00 0.00 C ATOM 165 C GLN A 14 4.115 7.223 3.454 1.00 0.00 C ATOM 166 O GLN A 14 4.121 5.995 3.364 1.00 0.00 O ATOM 167 CB GLN A 14 5.406 8.709 4.997 1.00 0.00 C ATOM 168 CG GLN A 14 5.818 7.815 6.156 1.00 0.00 C ATOM 169 CD GLN A 14 7.036 6.970 5.837 1.00 0.00 C ATOM 170 OE1 GLN A 14 8.173 7.392 6.052 1.00 0.00 O ATOM 171 NE2 GLN A 14 6.804 5.769 5.320 1.00 0.00 N ATOM 0 H GLN A 14 5.794 9.914 2.880 1.00 0.00 H new ATOM 0 HA GLN A 14 6.245 7.292 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.079 9.566 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.406 9.098 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.028 8.432 7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.986 7.162 6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.846 5.460 5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.584 5.156 5.084 1.00 0.00 H new ATOM 180 N ASP A 15 3.003 7.947 3.395 1.00 0.00 N ATOM 181 CA ASP A 15 1.695 7.328 3.216 1.00 0.00 C ATOM 182 C ASP A 15 1.751 6.241 2.147 1.00 0.00 C ATOM 183 O ASP A 15 1.373 5.095 2.393 1.00 0.00 O ATOM 184 CB ASP A 15 0.656 8.383 2.835 1.00 0.00 C ATOM 185 CG ASP A 15 0.439 9.405 3.933 1.00 0.00 C ATOM 186 OD1 ASP A 15 -0.320 9.108 4.880 1.00 0.00 O ATOM 187 OD2 ASP A 15 1.028 10.502 3.846 1.00 0.00 O ATOM 0 H ASP A 15 2.981 8.964 3.469 1.00 0.00 H new ATOM 0 HA ASP A 15 1.405 6.869 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.976 8.893 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.290 7.892 2.608 1.00 0.00 H new ATOM 192 N ALA A 16 2.223 6.608 0.961 1.00 0.00 N ATOM 193 CA ALA A 16 2.329 5.664 -0.145 1.00 0.00 C ATOM 194 C ALA A 16 2.868 4.319 0.331 1.00 0.00 C ATOM 195 O ALA A 16 2.520 3.271 -0.214 1.00 0.00 O ATOM 196 CB ALA A 16 3.217 6.233 -1.241 1.00 0.00 C ATOM 0 H ALA A 16 2.538 7.553 0.741 1.00 0.00 H new ATOM 0 HA ALA A 16 1.330 5.503 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.287 5.518 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.789 7.165 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.212 6.424 -0.840 1.00 0.00 H new ATOM 202 N THR A 17 3.721 4.356 1.350 1.00 0.00 N ATOM 203 CA THR A 17 4.310 3.140 1.898 1.00 0.00 C ATOM 204 C THR A 17 3.380 2.489 2.915 1.00 0.00 C ATOM 205 O THR A 17 2.636 3.173 3.618 1.00 0.00 O ATOM 206 CB THR A 17 5.667 3.426 2.569 1.00 0.00 C ATOM 207 OG1 THR A 17 6.551 4.057 1.636 1.00 0.00 O ATOM 208 CG2 THR A 17 6.297 2.141 3.084 1.00 0.00 C ATOM 0 H THR A 17 4.019 5.215 1.813 1.00 0.00 H new ATOM 0 HA THR A 17 4.463 2.458 1.062 1.00 0.00 H new ATOM 0 HB THR A 17 5.497 4.092 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.411 4.237 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.254 2.368 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.634 1.679 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.455 1.454 2.252 1.00 0.00 H new ATOM 216 N VAL A 18 3.428 1.163 2.990 1.00 0.00 N ATOM 217 CA VAL A 18 2.590 0.419 3.924 1.00 0.00 C ATOM 218 C VAL A 18 3.415 -0.133 5.081 1.00 0.00 C ATOM 219 O VAL A 18 4.618 -0.357 4.949 1.00 0.00 O ATOM 220 CB VAL A 18 1.866 -0.745 3.223 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.322 -0.301 1.873 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.799 -1.936 3.064 1.00 0.00 C ATOM 0 H VAL A 18 4.038 0.582 2.415 1.00 0.00 H new ATOM 0 HA VAL A 18 1.848 1.118 4.311 1.00 0.00 H new ATOM 0 HB VAL A 18 1.025 -1.052 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.814 -1.137 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.617 0.518 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.145 0.034 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.270 -2.749 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.662 -1.645 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.135 -2.269 4.046 1.00 0.00 H new ATOM 232 N TYR A 19 2.759 -0.352 6.215 1.00 0.00 N ATOM 233 CA TYR A 19 3.432 -0.877 7.398 1.00 0.00 C ATOM 234 C TYR A 19 3.134 -2.362 7.580 1.00 0.00 C ATOM 235 O TYR A 19 2.054 -2.740 8.033 1.00 0.00 O ATOM 236 CB TYR A 19 2.997 -0.102 8.643 1.00 0.00 C ATOM 237 CG TYR A 19 3.856 -0.376 9.857 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.959 -1.658 10.384 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.563 0.646 10.478 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.742 -1.913 11.494 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.350 0.400 11.586 1.00 0.00 C ATOM 242 CZ TYR A 19 5.436 -0.881 12.091 1.00 0.00 C ATOM 243 OH TYR A 19 6.217 -1.130 13.196 1.00 0.00 O ATOM 0 H TYR A 19 1.762 -0.174 6.340 1.00 0.00 H new ATOM 0 HA TYR A 19 4.506 -0.755 7.258 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.022 0.965 8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.963 -0.355 8.875 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.418 -2.469 9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.496 1.651 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.810 -2.915 11.892 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.895 1.206 12.055 1.00 0.00 H new ATOM 0 HH TYR A 19 6.638 -0.297 13.493 1.00 0.00 H new ATOM 253 N VAL A 20 4.102 -3.200 7.222 1.00 0.00 N ATOM 254 CA VAL A 20 3.947 -4.645 7.347 1.00 0.00 C ATOM 255 C VAL A 20 4.577 -5.156 8.637 1.00 0.00 C ATOM 256 O VAL A 20 5.768 -4.963 8.878 1.00 0.00 O ATOM 257 CB VAL A 20 4.580 -5.382 6.152 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.371 -6.883 6.279 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.005 -4.865 4.842 1.00 0.00 C ATOM 0 H VAL A 20 5.001 -2.903 6.843 1.00 0.00 H new ATOM 0 HA VAL A 20 2.876 -4.848 7.364 1.00 0.00 H new ATOM 0 HB VAL A 20 5.652 -5.187 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.825 -7.387 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.835 -7.238 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.303 -7.101 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.464 -5.397 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.927 -5.028 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.211 -3.799 4.750 1.00 0.00 H new ATOM 269 N GLY A 21 3.769 -5.810 9.466 1.00 0.00 N ATOM 270 CA GLY A 21 4.265 -6.340 10.722 1.00 0.00 C ATOM 271 C GLY A 21 3.634 -7.670 11.081 1.00 0.00 C ATOM 272 O GLY A 21 2.498 -7.719 11.553 1.00 0.00 O ATOM 0 H GLY A 21 2.779 -5.982 9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.347 -6.460 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.069 -5.622 11.518 1.00 0.00 H new ATOM 276 N GLY A 22 4.370 -8.754 10.854 1.00 0.00 N ATOM 277 CA GLY A 22 3.858 -10.077 11.160 1.00 0.00 C ATOM 278 C GLY A 22 4.135 -11.076 10.055 1.00 0.00 C ATOM 279 O GLY A 22 3.279 -11.896 9.719 1.00 0.00 O ATOM 0 H GLY A 22 5.312 -8.739 10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.308 -10.432 12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.783 -10.017 11.330 1.00 0.00 H new ATOM 283 N LEU A 23 5.334 -11.009 9.486 1.00 0.00 N ATOM 284 CA LEU A 23 5.722 -11.914 8.410 1.00 0.00 C ATOM 285 C LEU A 23 6.480 -13.119 8.959 1.00 0.00 C ATOM 286 O LEU A 23 6.936 -13.109 10.102 1.00 0.00 O ATOM 287 CB LEU A 23 6.585 -11.178 7.384 1.00 0.00 C ATOM 288 CG LEU A 23 5.999 -9.884 6.818 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.086 -9.049 6.159 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.885 -10.192 5.828 1.00 0.00 C ATOM 0 H LEU A 23 6.054 -10.337 9.752 1.00 0.00 H new ATOM 0 HA LEU A 23 4.814 -12.270 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.545 -10.947 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.785 -11.856 6.554 1.00 0.00 H new ATOM 0 HG LEU A 23 5.577 -9.308 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.650 -8.132 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.849 -8.799 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.539 -9.617 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.479 -9.260 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.282 -10.789 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.094 -10.748 6.332 1.00 0.00 H new ATOM 302 N ASP A 24 6.613 -14.153 8.136 1.00 0.00 N ATOM 303 CA ASP A 24 7.319 -15.364 8.537 1.00 0.00 C ATOM 304 C ASP A 24 8.662 -15.472 7.823 1.00 0.00 C ATOM 305 O ASP A 24 8.958 -14.693 6.918 1.00 0.00 O ATOM 306 CB ASP A 24 6.467 -16.599 8.238 1.00 0.00 C ATOM 307 CG ASP A 24 6.890 -17.805 9.054 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.084 -17.655 10.279 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.026 -18.899 8.468 1.00 0.00 O ATOM 0 H ASP A 24 6.241 -14.177 7.187 1.00 0.00 H new ATOM 0 HA ASP A 24 7.502 -15.310 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.421 -16.374 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.539 -16.838 7.177 1.00 0.00 H new ATOM 314 N GLU A 25 9.471 -16.443 8.237 1.00 0.00 N ATOM 315 CA GLU A 25 10.783 -16.650 7.637 1.00 0.00 C ATOM 316 C GLU A 25 10.680 -16.735 6.117 1.00 0.00 C ATOM 317 O GLU A 25 11.457 -16.112 5.394 1.00 0.00 O ATOM 318 CB GLU A 25 11.424 -17.926 8.188 1.00 0.00 C ATOM 319 CG GLU A 25 10.600 -19.178 7.940 1.00 0.00 C ATOM 320 CD GLU A 25 11.124 -20.382 8.698 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.338 -20.657 8.606 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.320 -21.048 9.383 1.00 0.00 O ATOM 0 H GLU A 25 9.241 -17.097 8.985 1.00 0.00 H new ATOM 0 HA GLU A 25 11.410 -15.796 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.407 -18.053 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.579 -17.810 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.566 -18.992 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.595 -19.399 6.873 1.00 0.00 H new ATOM 329 N LYS A 26 9.714 -17.513 5.639 1.00 0.00 N ATOM 330 CA LYS A 26 9.506 -17.681 4.205 1.00 0.00 C ATOM 331 C LYS A 26 9.500 -16.331 3.494 1.00 0.00 C ATOM 332 O LYS A 26 10.221 -16.130 2.517 1.00 0.00 O ATOM 333 CB LYS A 26 8.189 -18.414 3.943 1.00 0.00 C ATOM 334 CG LYS A 26 8.251 -19.902 4.239 1.00 0.00 C ATOM 335 CD LYS A 26 6.986 -20.614 3.789 1.00 0.00 C ATOM 336 CE LYS A 26 6.994 -20.869 2.289 1.00 0.00 C ATOM 337 NZ LYS A 26 6.145 -22.036 1.921 1.00 0.00 N ATOM 0 H LYS A 26 9.063 -18.037 6.224 1.00 0.00 H new ATOM 0 HA LYS A 26 10.330 -18.275 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.405 -17.964 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.905 -18.271 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.114 -20.338 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.395 -20.055 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.892 -21.561 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.116 -20.013 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.637 -19.981 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.017 -21.044 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.177 -22.177 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.501 -22.889 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.164 -21.858 2.216 1.00 0.00 H new ATOM 351 N VAL A 27 8.683 -15.409 3.993 1.00 0.00 N ATOM 352 CA VAL A 27 8.586 -14.077 3.407 1.00 0.00 C ATOM 353 C VAL A 27 9.963 -13.535 3.041 1.00 0.00 C ATOM 354 O VAL A 27 10.967 -13.901 3.652 1.00 0.00 O ATOM 355 CB VAL A 27 7.896 -13.090 4.368 1.00 0.00 C ATOM 356 CG1 VAL A 27 7.973 -11.672 3.823 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.451 -13.501 4.606 1.00 0.00 C ATOM 0 H VAL A 27 8.079 -15.560 4.801 1.00 0.00 H new ATOM 0 HA VAL A 27 7.985 -14.172 2.503 1.00 0.00 H new ATOM 0 HB VAL A 27 8.419 -13.115 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.480 -10.989 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.018 -11.382 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.476 -11.627 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.979 -12.793 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.913 -13.506 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.424 -14.499 5.044 1.00 0.00 H new ATOM 367 N SER A 28 10.003 -12.661 2.041 1.00 0.00 N ATOM 368 CA SER A 28 11.258 -12.071 1.591 1.00 0.00 C ATOM 369 C SER A 28 11.030 -10.668 1.035 1.00 0.00 C ATOM 370 O SER A 28 9.891 -10.227 0.884 1.00 0.00 O ATOM 371 CB SER A 28 11.909 -12.954 0.525 1.00 0.00 C ATOM 372 OG SER A 28 12.082 -14.279 0.997 1.00 0.00 O ATOM 0 H SER A 28 9.181 -12.346 1.527 1.00 0.00 H new ATOM 0 HA SER A 28 11.925 -11.999 2.450 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.290 -12.962 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.875 -12.536 0.242 1.00 0.00 H new ATOM 0 HG SER A 28 12.498 -14.824 0.297 1.00 0.00 H new ATOM 378 N GLU A 29 12.122 -9.973 0.734 1.00 0.00 N ATOM 379 CA GLU A 29 12.042 -8.620 0.195 1.00 0.00 C ATOM 380 C GLU A 29 11.417 -8.625 -1.197 1.00 0.00 C ATOM 381 O GLU A 29 10.430 -7.939 -1.464 1.00 0.00 O ATOM 382 CB GLU A 29 13.433 -7.986 0.140 1.00 0.00 C ATOM 383 CG GLU A 29 13.791 -7.193 1.386 1.00 0.00 C ATOM 384 CD GLU A 29 15.281 -7.183 1.663 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.064 -7.103 0.693 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.665 -7.256 2.849 1.00 0.00 O ATOM 0 H GLU A 29 13.072 -10.324 0.854 1.00 0.00 H new ATOM 0 HA GLU A 29 11.408 -8.030 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.175 -8.771 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.489 -7.328 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.439 -6.167 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.269 -7.616 2.244 1.00 0.00 H new ATOM 393 N PRO A 30 12.005 -9.416 -2.106 1.00 0.00 N ATOM 394 CA PRO A 30 11.523 -9.530 -3.486 1.00 0.00 C ATOM 395 C PRO A 30 10.185 -10.256 -3.575 1.00 0.00 C ATOM 396 O PRO A 30 9.669 -10.496 -4.667 1.00 0.00 O ATOM 397 CB PRO A 30 12.620 -10.343 -4.178 1.00 0.00 C ATOM 398 CG PRO A 30 13.258 -11.128 -3.084 1.00 0.00 C ATOM 399 CD PRO A 30 13.184 -10.262 -1.857 1.00 0.00 C ATOM 0 HA PRO A 30 11.347 -8.554 -3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.204 -10.997 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.342 -9.693 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.738 -12.073 -2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.292 -11.370 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.067 -10.857 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.087 -9.665 -1.732 1.00 0.00 H new ATOM 407 N LEU A 31 9.628 -10.603 -2.420 1.00 0.00 N ATOM 408 CA LEU A 31 8.348 -11.302 -2.368 1.00 0.00 C ATOM 409 C LEU A 31 7.192 -10.313 -2.250 1.00 0.00 C ATOM 410 O LEU A 31 6.243 -10.355 -3.033 1.00 0.00 O ATOM 411 CB LEU A 31 8.324 -12.275 -1.188 1.00 0.00 C ATOM 412 CG LEU A 31 7.018 -13.042 -0.977 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.780 -14.017 -2.120 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.039 -13.775 0.356 1.00 0.00 C ATOM 0 H LEU A 31 10.042 -10.412 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 31 8.230 -11.862 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.129 -12.998 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.545 -11.717 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 31 6.197 -12.325 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.846 -14.553 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.719 -13.468 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.604 -14.729 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.102 -14.315 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.870 -14.481 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.161 -13.055 1.165 1.00 0.00 H new ATOM 426 N LEU A 32 7.280 -9.423 -1.267 1.00 0.00 N ATOM 427 CA LEU A 32 6.243 -8.421 -1.047 1.00 0.00 C ATOM 428 C LEU A 32 5.996 -7.607 -2.313 1.00 0.00 C ATOM 429 O LEU A 32 4.850 -7.352 -2.685 1.00 0.00 O ATOM 430 CB LEU A 32 6.639 -7.492 0.102 1.00 0.00 C ATOM 431 CG LEU A 32 7.181 -8.173 1.359 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.600 -7.136 2.389 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.143 -9.119 1.943 1.00 0.00 C ATOM 0 H LEU A 32 8.059 -9.375 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 32 5.321 -8.939 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.394 -6.796 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.767 -6.900 0.381 1.00 0.00 H new ATOM 0 HG LEU A 32 8.059 -8.756 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.983 -7.639 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.378 -6.499 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.739 -6.525 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.546 -9.595 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.245 -8.558 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.892 -9.883 1.207 1.00 0.00 H new ATOM 445 N TRP A 33 7.076 -7.203 -2.971 1.00 0.00 N ATOM 446 CA TRP A 33 6.976 -6.419 -4.197 1.00 0.00 C ATOM 447 C TRP A 33 5.877 -6.963 -5.103 1.00 0.00 C ATOM 448 O TRP A 33 4.839 -6.327 -5.284 1.00 0.00 O ATOM 449 CB TRP A 33 8.314 -6.421 -4.939 1.00 0.00 C ATOM 450 CG TRP A 33 8.480 -5.257 -5.867 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.553 -4.769 -6.744 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.644 -4.436 -6.012 1.00 0.00 C ATOM 453 NE1 TRP A 33 8.071 -3.694 -7.425 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.352 -3.469 -6.994 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.904 -4.422 -5.407 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.275 -2.502 -7.383 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.818 -3.462 -5.795 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.500 -2.512 -6.775 1.00 0.00 C ATOM 0 H TRP A 33 8.031 -7.405 -2.676 1.00 0.00 H new ATOM 0 HA TRP A 33 6.722 -5.395 -3.924 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.125 -6.414 -4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.404 -7.346 -5.508 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.559 -5.169 -6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.581 -3.151 -8.136 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.158 -5.149 -4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.032 -1.770 -8.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.795 -3.443 -5.335 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.237 -1.774 -7.055 1.00 0.00 H new ATOM 469 N GLU A 34 6.112 -8.143 -5.668 1.00 0.00 N ATOM 470 CA GLU A 34 5.141 -8.771 -6.556 1.00 0.00 C ATOM 471 C GLU A 34 3.831 -9.045 -5.822 1.00 0.00 C ATOM 472 O GLU A 34 2.749 -8.734 -6.322 1.00 0.00 O ATOM 473 CB GLU A 34 5.704 -10.076 -7.123 1.00 0.00 C ATOM 474 CG GLU A 34 4.713 -10.844 -7.981 1.00 0.00 C ATOM 475 CD GLU A 34 5.224 -12.216 -8.377 1.00 0.00 C ATOM 476 OE1 GLU A 34 5.342 -13.084 -7.486 1.00 0.00 O ATOM 477 OE2 GLU A 34 5.507 -12.421 -9.575 1.00 0.00 O ATOM 0 H GLU A 34 6.966 -8.683 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 34 4.940 -8.084 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.589 -9.852 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.027 -10.711 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.775 -10.953 -7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.494 -10.268 -8.880 1.00 0.00 H new ATOM 484 N LEU A 35 3.937 -9.631 -4.635 1.00 0.00 N ATOM 485 CA LEU A 35 2.762 -9.949 -3.831 1.00 0.00 C ATOM 486 C LEU A 35 1.896 -8.711 -3.619 1.00 0.00 C ATOM 487 O LEU A 35 0.685 -8.814 -3.422 1.00 0.00 O ATOM 488 CB LEU A 35 3.185 -10.527 -2.479 1.00 0.00 C ATOM 489 CG LEU A 35 2.118 -10.522 -1.384 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.047 -11.561 -1.678 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.750 -10.777 -0.023 1.00 0.00 C ATOM 0 H LEU A 35 4.824 -9.896 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 35 2.175 -10.693 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.515 -11.555 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.048 -9.966 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 35 1.647 -9.539 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.296 -11.543 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.574 -11.335 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.502 -12.550 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.976 -10.770 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.247 -11.747 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.480 -9.997 0.191 1.00 0.00 H new ATOM 503 N PHE A 36 2.525 -7.541 -3.663 1.00 0.00 N ATOM 504 CA PHE A 36 1.812 -6.283 -3.478 1.00 0.00 C ATOM 505 C PHE A 36 1.426 -5.673 -4.822 1.00 0.00 C ATOM 506 O PHE A 36 0.405 -4.993 -4.939 1.00 0.00 O ATOM 507 CB PHE A 36 2.672 -5.296 -2.686 1.00 0.00 C ATOM 508 CG PHE A 36 2.479 -5.391 -1.199 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.917 -6.504 -0.500 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.858 -4.368 -0.501 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.740 -6.594 0.868 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.678 -4.452 0.867 1.00 0.00 C ATOM 513 CZ PHE A 36 2.120 -5.566 1.552 1.00 0.00 C ATOM 0 H PHE A 36 3.527 -7.438 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 36 0.900 -6.491 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.722 -5.472 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.439 -4.282 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.402 -7.310 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.510 -3.494 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.086 -7.467 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.192 -3.647 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.981 -5.634 2.621 1.00 0.00 H new ATOM 523 N LEU A 37 2.250 -5.919 -5.835 1.00 0.00 N ATOM 524 CA LEU A 37 1.996 -5.394 -7.172 1.00 0.00 C ATOM 525 C LEU A 37 0.509 -5.451 -7.507 1.00 0.00 C ATOM 526 O LEU A 37 -0.012 -4.585 -8.209 1.00 0.00 O ATOM 527 CB LEU A 37 2.796 -6.183 -8.211 1.00 0.00 C ATOM 528 CG LEU A 37 4.259 -5.775 -8.382 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.983 -6.755 -9.294 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.358 -4.360 -8.932 1.00 0.00 C ATOM 0 H LEU A 37 3.099 -6.478 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 37 2.313 -4.351 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.763 -7.238 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.297 -6.085 -9.175 1.00 0.00 H new ATOM 0 HG LEU A 37 4.739 -5.797 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.023 -6.449 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.943 -7.754 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.502 -6.765 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.407 -4.087 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.862 -4.311 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.876 -3.667 -8.242 1.00 0.00 H new ATOM 542 N GLN A 38 -0.167 -6.476 -6.998 1.00 0.00 N ATOM 543 CA GLN A 38 -1.595 -6.644 -7.242 1.00 0.00 C ATOM 544 C GLN A 38 -2.368 -5.392 -6.841 1.00 0.00 C ATOM 545 O GLN A 38 -3.231 -4.920 -7.580 1.00 0.00 O ATOM 546 CB GLN A 38 -2.126 -7.855 -6.472 1.00 0.00 C ATOM 547 CG GLN A 38 -1.516 -8.011 -5.089 1.00 0.00 C ATOM 548 CD GLN A 38 -2.209 -9.077 -4.263 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.297 -8.856 -3.729 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.581 -10.242 -4.153 1.00 0.00 N ATOM 0 H GLN A 38 0.250 -7.202 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.738 -6.810 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.208 -7.768 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.930 -8.758 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.460 -8.263 -5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.569 -7.058 -4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.681 -10.382 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.999 -10.997 -3.609 1.00 0.00 H new ATOM 559 N ALA A 39 -2.052 -4.859 -5.665 1.00 0.00 N ATOM 560 CA ALA A 39 -2.715 -3.661 -5.166 1.00 0.00 C ATOM 561 C ALA A 39 -2.336 -2.438 -5.995 1.00 0.00 C ATOM 562 O ALA A 39 -3.191 -1.630 -6.354 1.00 0.00 O ATOM 563 CB ALA A 39 -2.369 -3.437 -3.702 1.00 0.00 C ATOM 0 H ALA A 39 -1.341 -5.238 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.791 -3.808 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.871 -2.539 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.697 -4.295 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.291 -3.316 -3.597 1.00 0.00 H new ATOM 569 N GLY A 40 -1.046 -2.308 -6.294 1.00 0.00 N ATOM 570 CA GLY A 40 -0.576 -1.181 -7.077 1.00 0.00 C ATOM 571 C GLY A 40 0.850 -1.361 -7.555 1.00 0.00 C ATOM 572 O GLY A 40 1.511 -2.353 -7.246 1.00 0.00 O ATOM 0 H GLY A 40 -0.319 -2.964 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.230 -1.043 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.643 -0.273 -6.478 1.00 0.00 H new ATOM 576 N PRO A 41 1.347 -0.385 -8.330 1.00 0.00 N ATOM 577 CA PRO A 41 2.709 -0.419 -8.870 1.00 0.00 C ATOM 578 C PRO A 41 3.767 -0.231 -7.787 1.00 0.00 C ATOM 579 O PRO A 41 4.244 0.881 -7.557 1.00 0.00 O ATOM 580 CB PRO A 41 2.732 0.757 -9.849 1.00 0.00 C ATOM 581 CG PRO A 41 1.687 1.691 -9.344 1.00 0.00 C ATOM 582 CD PRO A 41 0.616 0.826 -8.739 1.00 0.00 C ATOM 0 HA PRO A 41 2.941 -1.379 -9.330 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.712 1.234 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.513 0.430 -10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.100 2.376 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.285 2.301 -10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.138 1.313 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.170 0.597 -9.459 1.00 0.00 H new ATOM 590 N VAL A 42 4.129 -1.324 -7.124 1.00 0.00 N ATOM 591 CA VAL A 42 5.131 -1.280 -6.066 1.00 0.00 C ATOM 592 C VAL A 42 6.441 -0.686 -6.574 1.00 0.00 C ATOM 593 O VAL A 42 6.986 -1.132 -7.583 1.00 0.00 O ATOM 594 CB VAL A 42 5.405 -2.683 -5.492 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.482 -2.621 -4.420 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.125 -3.290 -4.939 1.00 0.00 C ATOM 0 H VAL A 42 3.743 -2.251 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 42 4.729 -0.645 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 42 5.766 -3.323 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.662 -3.621 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.403 -2.230 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.154 -1.967 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.336 -4.281 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.733 -2.653 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.387 -3.372 -5.737 1.00 0.00 H new ATOM 606 N VAL A 43 6.940 0.322 -5.867 1.00 0.00 N ATOM 607 CA VAL A 43 8.187 0.977 -6.244 1.00 0.00 C ATOM 608 C VAL A 43 9.393 0.214 -5.708 1.00 0.00 C ATOM 609 O VAL A 43 10.305 -0.132 -6.457 1.00 0.00 O ATOM 610 CB VAL A 43 8.239 2.427 -5.727 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.260 3.237 -6.511 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.863 3.070 -5.805 1.00 0.00 C ATOM 0 H VAL A 43 6.500 0.703 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 43 8.222 0.987 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 43 8.548 2.411 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.283 4.259 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.246 2.786 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.984 3.248 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.918 4.094 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.522 3.076 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.161 2.502 -5.195 1.00 0.00 H new ATOM 622 N ASN A 44 9.390 -0.046 -4.404 1.00 0.00 N ATOM 623 CA ASN A 44 10.484 -0.768 -3.766 1.00 0.00 C ATOM 624 C ASN A 44 10.039 -1.363 -2.433 1.00 0.00 C ATOM 625 O ASN A 44 9.098 -0.875 -1.806 1.00 0.00 O ATOM 626 CB ASN A 44 11.679 0.162 -3.549 1.00 0.00 C ATOM 627 CG ASN A 44 12.632 -0.358 -2.490 1.00 0.00 C ATOM 628 OD1 ASN A 44 12.266 -0.177 -1.226 1.00 0.00 O flip ATOM 629 ND2 ASN A 44 13.683 -0.915 -2.804 1.00 0.00 N flip ATOM 0 H ASN A 44 8.642 0.233 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 44 10.782 -1.583 -4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.217 0.284 -4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.320 1.149 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.924 -1.032 -3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.314 -1.260 -2.080 1.00 0.00 H new ATOM 636 N THR A 45 10.723 -2.419 -2.005 1.00 0.00 N ATOM 637 CA THR A 45 10.399 -3.081 -0.747 1.00 0.00 C ATOM 638 C THR A 45 11.420 -2.739 0.332 1.00 0.00 C ATOM 639 O THR A 45 12.580 -2.454 0.036 1.00 0.00 O ATOM 640 CB THR A 45 10.340 -4.611 -0.916 1.00 0.00 C ATOM 641 OG1 THR A 45 11.593 -5.098 -1.411 1.00 0.00 O ATOM 642 CG2 THR A 45 9.224 -5.007 -1.871 1.00 0.00 C ATOM 0 H THR A 45 11.505 -2.835 -2.511 1.00 0.00 H new ATOM 0 HA THR A 45 9.417 -2.719 -0.443 1.00 0.00 H new ATOM 0 HB THR A 45 10.138 -5.055 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.440 -5.894 -1.962 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.202 -6.092 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.268 -4.660 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.401 -4.553 -2.846 1.00 0.00 H new ATOM 650 N HIS A 46 10.980 -2.770 1.586 1.00 0.00 N ATOM 651 CA HIS A 46 11.857 -2.465 2.712 1.00 0.00 C ATOM 652 C HIS A 46 11.684 -3.490 3.828 1.00 0.00 C ATOM 653 O HIS A 46 10.576 -3.712 4.314 1.00 0.00 O ATOM 654 CB HIS A 46 11.568 -1.060 3.243 1.00 0.00 C ATOM 655 CG HIS A 46 12.567 -0.586 4.254 1.00 0.00 C ATOM 656 ND1 HIS A 46 12.760 -1.208 5.470 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.431 0.455 4.224 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.699 -0.568 6.144 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.123 0.445 5.410 1.00 0.00 N ATOM 0 H HIS A 46 10.022 -3.003 1.848 1.00 0.00 H new ATOM 0 HA HIS A 46 12.888 -2.508 2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.549 -0.361 2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.575 -1.047 3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.554 1.162 3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.059 -0.829 7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.847 1.111 5.680 1.00 0.00 H new ATOM 667 N MET A 47 12.788 -4.111 4.230 1.00 0.00 N ATOM 668 CA MET A 47 12.759 -5.112 5.290 1.00 0.00 C ATOM 669 C MET A 47 13.985 -4.989 6.189 1.00 0.00 C ATOM 670 O MET A 47 15.096 -5.368 5.820 1.00 0.00 O ATOM 671 CB MET A 47 12.690 -6.518 4.691 1.00 0.00 C ATOM 672 CG MET A 47 11.358 -6.834 4.032 1.00 0.00 C ATOM 673 SD MET A 47 11.170 -8.586 3.649 1.00 0.00 S ATOM 674 CE MET A 47 11.117 -9.288 5.296 1.00 0.00 C ATOM 0 H MET A 47 13.714 -3.939 3.838 1.00 0.00 H new ATOM 0 HA MET A 47 11.869 -4.938 5.895 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.486 -6.629 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.879 -7.249 5.478 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.548 -6.521 4.691 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.264 -6.253 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.608 -10.261 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.632 -8.624 5.991 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.079 -9.406 5.608 1.00 0.00 H new ATOM 684 N PRO A 48 13.781 -4.445 7.398 1.00 0.00 N ATOM 685 CA PRO A 48 14.859 -4.259 8.375 1.00 0.00 C ATOM 686 C PRO A 48 15.358 -5.582 8.946 1.00 0.00 C ATOM 687 O PRO A 48 14.567 -6.467 9.272 1.00 0.00 O ATOM 688 CB PRO A 48 14.202 -3.417 9.472 1.00 0.00 C ATOM 689 CG PRO A 48 12.748 -3.723 9.365 1.00 0.00 C ATOM 690 CD PRO A 48 12.483 -3.970 7.906 1.00 0.00 C ATOM 0 HA PRO A 48 15.737 -3.792 7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.590 -3.678 10.457 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.395 -2.354 9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.488 -4.597 9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.146 -2.893 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.699 -4.713 7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.160 -3.062 7.397 1.00 0.00 H new ATOM 698 N LYS A 49 16.675 -5.711 9.064 1.00 0.00 N ATOM 699 CA LYS A 49 17.281 -6.925 9.597 1.00 0.00 C ATOM 700 C LYS A 49 17.447 -6.831 11.111 1.00 0.00 C ATOM 701 O LYS A 49 17.480 -5.737 11.674 1.00 0.00 O ATOM 702 CB LYS A 49 18.640 -7.173 8.939 1.00 0.00 C ATOM 703 CG LYS A 49 18.584 -7.206 7.421 1.00 0.00 C ATOM 704 CD LYS A 49 17.956 -8.494 6.915 1.00 0.00 C ATOM 705 CE LYS A 49 17.591 -8.394 5.442 1.00 0.00 C ATOM 706 NZ LYS A 49 16.976 -9.652 4.936 1.00 0.00 N ATOM 0 H LYS A 49 17.344 -4.989 8.797 1.00 0.00 H new ATOM 0 HA LYS A 49 16.618 -7.761 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 49 19.334 -6.392 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 49 19.042 -8.120 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.010 -6.353 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.591 -7.108 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.650 -9.321 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.063 -8.718 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.897 -7.566 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.485 -8.168 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.455 -9.945 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.076 -10.400 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.967 -9.492 4.742 1.00 0.00 H new ATOM 720 N ASP A 50 17.552 -7.984 11.762 1.00 0.00 N ATOM 721 CA ASP A 50 17.717 -8.031 13.210 1.00 0.00 C ATOM 722 C ASP A 50 19.116 -7.574 13.613 1.00 0.00 C ATOM 723 O ASP A 50 19.975 -7.349 12.761 1.00 0.00 O ATOM 724 CB ASP A 50 17.461 -9.447 13.728 1.00 0.00 C ATOM 725 CG ASP A 50 17.415 -9.510 15.242 1.00 0.00 C ATOM 726 OD1 ASP A 50 16.966 -8.524 15.864 1.00 0.00 O ATOM 727 OD2 ASP A 50 17.827 -10.545 15.805 1.00 0.00 O ATOM 0 H ASP A 50 17.526 -8.898 11.310 1.00 0.00 H new ATOM 0 HA ASP A 50 16.990 -7.352 13.656 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.518 -9.814 13.323 1.00 0.00 H new ATOM 0 HB3 ASP A 50 18.244 -10.111 13.363 1.00 0.00 H new ATOM 732 N ARG A 51 19.337 -7.439 14.917 1.00 0.00 N ATOM 733 CA ARG A 51 20.630 -7.007 15.432 1.00 0.00 C ATOM 734 C ARG A 51 21.361 -8.164 16.106 1.00 0.00 C ATOM 735 O ARG A 51 22.590 -8.232 16.087 1.00 0.00 O ATOM 736 CB ARG A 51 20.450 -5.856 16.423 1.00 0.00 C ATOM 737 CG ARG A 51 19.481 -6.171 17.551 1.00 0.00 C ATOM 738 CD ARG A 51 18.068 -5.721 17.214 1.00 0.00 C ATOM 739 NE ARG A 51 17.282 -5.440 18.412 1.00 0.00 N ATOM 740 CZ ARG A 51 15.958 -5.538 18.463 1.00 0.00 C ATOM 741 NH1 ARG A 51 15.276 -5.908 17.388 1.00 0.00 N ATOM 742 NH2 ARG A 51 15.314 -5.266 19.591 1.00 0.00 N ATOM 0 H ARG A 51 18.637 -7.623 15.636 1.00 0.00 H new ATOM 0 HA ARG A 51 21.231 -6.662 14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 51 21.420 -5.599 16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 51 20.095 -4.977 15.885 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.485 -7.243 17.747 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.813 -5.678 18.465 1.00 0.00 H new ATOM 0 HD2 ARG A 51 18.111 -4.828 16.591 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.571 -6.494 16.628 1.00 0.00 H new ATOM 0 HE ARG A 51 17.777 -5.153 19.256 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.768 -6.118 16.519 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.260 -5.983 17.430 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.836 -4.981 20.420 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.298 -5.342 19.629 1.00 0.00 H new ATOM 756 N VAL A 52 20.595 -9.073 16.703 1.00 0.00 N ATOM 757 CA VAL A 52 21.169 -10.228 17.384 1.00 0.00 C ATOM 758 C VAL A 52 21.429 -11.369 16.406 1.00 0.00 C ATOM 759 O VAL A 52 22.470 -12.024 16.461 1.00 0.00 O ATOM 760 CB VAL A 52 20.247 -10.731 18.510 1.00 0.00 C ATOM 761 CG1 VAL A 52 20.838 -11.966 19.172 1.00 0.00 C ATOM 762 CG2 VAL A 52 20.007 -9.631 19.533 1.00 0.00 C ATOM 0 H VAL A 52 19.576 -9.032 16.729 1.00 0.00 H new ATOM 0 HA VAL A 52 22.115 -9.903 17.818 1.00 0.00 H new ATOM 0 HB VAL A 52 19.287 -11.006 18.074 1.00 0.00 H new ATOM 0 HG11 VAL A 52 20.173 -12.307 19.965 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.954 -12.756 18.430 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.812 -11.721 19.596 1.00 0.00 H new ATOM 0 HG21 VAL A 52 19.353 -10.004 20.322 1.00 0.00 H new ATOM 0 HG22 VAL A 52 20.959 -9.323 19.966 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.537 -8.777 19.045 1.00 0.00 H new ATOM 772 N THR A 53 20.474 -11.602 15.510 1.00 0.00 N ATOM 773 CA THR A 53 20.598 -12.664 14.520 1.00 0.00 C ATOM 774 C THR A 53 21.055 -12.111 13.175 1.00 0.00 C ATOM 775 O THR A 53 21.741 -12.793 12.414 1.00 0.00 O ATOM 776 CB THR A 53 19.265 -13.412 14.329 1.00 0.00 C ATOM 777 OG1 THR A 53 18.289 -12.535 13.757 1.00 0.00 O ATOM 778 CG2 THR A 53 18.753 -13.953 15.655 1.00 0.00 C ATOM 0 H THR A 53 19.606 -11.069 15.450 1.00 0.00 H new ATOM 0 HA THR A 53 21.347 -13.361 14.896 1.00 0.00 H new ATOM 0 HB THR A 53 19.438 -14.251 13.655 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.968 -11.912 14.442 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.811 -14.477 15.495 1.00 0.00 H new ATOM 0 HG22 THR A 53 19.485 -14.643 16.074 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.595 -13.127 16.348 1.00 0.00 H new ATOM 786 N GLY A 54 20.672 -10.871 12.889 1.00 0.00 N ATOM 787 CA GLY A 54 21.053 -10.247 11.635 1.00 0.00 C ATOM 788 C GLY A 54 20.220 -10.738 10.467 1.00 0.00 C ATOM 789 O GLY A 54 20.693 -10.772 9.332 1.00 0.00 O ATOM 0 H GLY A 54 20.105 -10.287 13.503 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.947 -9.166 11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.106 -10.449 11.437 1.00 0.00 H new ATOM 793 N GLN A 55 18.979 -11.121 10.747 1.00 0.00 N ATOM 794 CA GLN A 55 18.080 -11.615 9.711 1.00 0.00 C ATOM 795 C GLN A 55 16.787 -10.806 9.681 1.00 0.00 C ATOM 796 O GLN A 55 16.313 -10.336 10.715 1.00 0.00 O ATOM 797 CB GLN A 55 17.765 -13.094 9.941 1.00 0.00 C ATOM 798 CG GLN A 55 18.992 -13.990 9.901 1.00 0.00 C ATOM 799 CD GLN A 55 19.618 -14.061 8.522 1.00 0.00 C ATOM 800 OE1 GLN A 55 19.212 -13.345 7.606 1.00 0.00 O ATOM 801 NE2 GLN A 55 20.614 -14.926 8.367 1.00 0.00 N ATOM 0 H GLN A 55 18.573 -11.099 11.682 1.00 0.00 H new ATOM 0 HA GLN A 55 18.580 -11.503 8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.274 -13.206 10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 55 17.056 -13.428 9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 55 19.730 -13.620 10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 55 18.715 -14.994 10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 55 20.918 -15.500 9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 55 21.075 -15.017 7.461 1.00 0.00 H new ATOM 810 N HIS A 56 16.222 -10.647 8.488 1.00 0.00 N ATOM 811 CA HIS A 56 14.983 -9.895 8.324 1.00 0.00 C ATOM 812 C HIS A 56 14.028 -10.159 9.484 1.00 0.00 C ATOM 813 O HIS A 56 13.756 -11.310 9.826 1.00 0.00 O ATOM 814 CB HIS A 56 14.310 -10.263 7.001 1.00 0.00 C ATOM 815 CG HIS A 56 13.348 -11.406 7.116 1.00 0.00 C ATOM 816 ND1 HIS A 56 12.113 -11.292 7.719 1.00 0.00 N ATOM 817 CD2 HIS A 56 13.445 -12.690 6.699 1.00 0.00 C ATOM 818 CE1 HIS A 56 11.493 -12.457 7.669 1.00 0.00 C ATOM 819 NE2 HIS A 56 12.280 -13.323 7.055 1.00 0.00 N ATOM 0 H HIS A 56 16.602 -11.028 7.622 1.00 0.00 H new ATOM 0 HA HIS A 56 15.230 -8.833 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 56 13.781 -9.391 6.617 1.00 0.00 H new ATOM 0 HB3 HIS A 56 15.078 -10.517 6.270 1.00 0.00 H new ATOM 0 HD1 HIS A 56 11.737 -10.441 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 56 14.283 -13.134 6.182 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.510 -12.666 8.063 1.00 0.00 H new ATOM 827 N GLN A 57 13.525 -9.087 10.086 1.00 0.00 N ATOM 828 CA GLN A 57 12.603 -9.204 11.210 1.00 0.00 C ATOM 829 C GLN A 57 11.206 -9.583 10.730 1.00 0.00 C ATOM 830 O GLN A 57 10.938 -9.614 9.529 1.00 0.00 O ATOM 831 CB GLN A 57 12.548 -7.890 11.991 1.00 0.00 C ATOM 832 CG GLN A 57 13.628 -7.767 13.053 1.00 0.00 C ATOM 833 CD GLN A 57 13.219 -8.385 14.375 1.00 0.00 C ATOM 834 OE1 GLN A 57 12.135 -8.112 14.893 1.00 0.00 O ATOM 835 NE2 GLN A 57 14.086 -9.224 14.931 1.00 0.00 N ATOM 0 H GLN A 57 13.740 -8.128 9.815 1.00 0.00 H new ATOM 0 HA GLN A 57 12.968 -9.993 11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.640 -7.058 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.571 -7.800 12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.539 -8.249 12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.864 -6.714 13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.973 -9.422 14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.865 -9.670 15.821 1.00 0.00 H new ATOM 844 N GLY A 58 10.318 -9.871 11.676 1.00 0.00 N ATOM 845 CA GLY A 58 8.959 -10.245 11.330 1.00 0.00 C ATOM 846 C GLY A 58 8.101 -9.047 10.975 1.00 0.00 C ATOM 847 O GLY A 58 6.962 -8.934 11.429 1.00 0.00 O ATOM 0 H GLY A 58 10.515 -9.852 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.979 -10.936 10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.507 -10.776 12.168 1.00 0.00 H new ATOM 851 N TYR A 59 8.648 -8.150 10.162 1.00 0.00 N ATOM 852 CA TYR A 59 7.926 -6.952 9.749 1.00 0.00 C ATOM 853 C TYR A 59 8.666 -6.229 8.628 1.00 0.00 C ATOM 854 O TYR A 59 9.894 -6.161 8.622 1.00 0.00 O ATOM 855 CB TYR A 59 7.736 -6.010 10.940 1.00 0.00 C ATOM 856 CG TYR A 59 8.995 -5.274 11.337 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.952 -5.877 12.143 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.228 -3.974 10.904 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.103 -5.208 12.509 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.378 -3.297 11.263 1.00 0.00 C ATOM 861 CZ TYR A 59 11.312 -3.918 12.066 1.00 0.00 C ATOM 862 OH TYR A 59 12.459 -3.248 12.427 1.00 0.00 O ATOM 0 H TYR A 59 9.589 -8.230 9.776 1.00 0.00 H new ATOM 0 HA TYR A 59 6.949 -7.258 9.376 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.961 -5.283 10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.377 -6.585 11.794 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.793 -6.887 12.490 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.498 -3.485 10.276 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.835 -5.692 13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.545 -2.288 10.917 1.00 0.00 H new ATOM 0 HH TYR A 59 12.452 -2.351 12.031 1.00 0.00 H new ATOM 872 N GLY A 60 7.907 -5.688 7.679 1.00 0.00 N ATOM 873 CA GLY A 60 8.507 -4.977 6.566 1.00 0.00 C ATOM 874 C GLY A 60 7.663 -3.805 6.105 1.00 0.00 C ATOM 875 O GLY A 60 6.852 -3.277 6.866 1.00 0.00 O ATOM 0 H GLY A 60 6.888 -5.730 7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.494 -4.618 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.652 -5.666 5.734 1.00 0.00 H new ATOM 879 N PHE A 61 7.855 -3.395 4.855 1.00 0.00 N ATOM 880 CA PHE A 61 7.107 -2.276 4.294 1.00 0.00 C ATOM 881 C PHE A 61 7.081 -2.348 2.770 1.00 0.00 C ATOM 882 O PHE A 61 7.860 -3.080 2.159 1.00 0.00 O ATOM 883 CB PHE A 61 7.721 -0.949 4.743 1.00 0.00 C ATOM 884 CG PHE A 61 7.899 -0.842 6.230 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.011 -1.389 6.849 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.952 -0.197 7.010 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.178 -1.293 8.218 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.114 -0.097 8.379 1.00 0.00 C ATOM 889 CZ PHE A 61 8.227 -0.647 8.984 1.00 0.00 C ATOM 0 H PHE A 61 8.522 -3.821 4.212 1.00 0.00 H new ATOM 0 HA PHE A 61 6.082 -2.337 4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.690 -0.825 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.087 -0.131 4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.757 -1.897 6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.078 0.232 6.543 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.051 -1.722 8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.371 0.411 8.975 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.354 -0.572 10.054 1.00 0.00 H new ATOM 899 N VAL A 62 6.180 -1.584 2.163 1.00 0.00 N ATOM 900 CA VAL A 62 6.052 -1.560 0.710 1.00 0.00 C ATOM 901 C VAL A 62 5.751 -0.152 0.208 1.00 0.00 C ATOM 902 O VAL A 62 4.637 0.348 0.364 1.00 0.00 O ATOM 903 CB VAL A 62 4.941 -2.513 0.229 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.832 -2.482 -1.288 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.202 -3.927 0.725 1.00 0.00 C ATOM 0 H VAL A 62 5.527 -0.973 2.654 1.00 0.00 H new ATOM 0 HA VAL A 62 7.007 -1.892 0.302 1.00 0.00 H new ATOM 0 HB VAL A 62 3.991 -2.177 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.042 -3.161 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.596 -1.469 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.780 -2.793 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.408 -4.587 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.160 -4.277 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.226 -3.932 1.815 1.00 0.00 H new ATOM 915 N GLU A 63 6.751 0.482 -0.395 1.00 0.00 N ATOM 916 CA GLU A 63 6.593 1.833 -0.920 1.00 0.00 C ATOM 917 C GLU A 63 5.906 1.811 -2.282 1.00 0.00 C ATOM 918 O GLU A 63 6.489 1.376 -3.276 1.00 0.00 O ATOM 919 CB GLU A 63 7.954 2.523 -1.033 1.00 0.00 C ATOM 920 CG GLU A 63 7.883 3.914 -1.641 1.00 0.00 C ATOM 921 CD GLU A 63 9.247 4.455 -2.020 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.916 5.042 -1.144 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.646 4.293 -3.192 1.00 0.00 O ATOM 0 H GLU A 63 7.679 0.082 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 63 5.967 2.394 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.401 2.592 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.616 1.904 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.248 3.887 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.411 4.593 -0.931 1.00 0.00 H new ATOM 930 N PHE A 64 4.664 2.282 -2.321 1.00 0.00 N ATOM 931 CA PHE A 64 3.897 2.315 -3.560 1.00 0.00 C ATOM 932 C PHE A 64 4.171 3.600 -4.336 1.00 0.00 C ATOM 933 O PHE A 64 4.633 4.593 -3.771 1.00 0.00 O ATOM 934 CB PHE A 64 2.401 2.196 -3.262 1.00 0.00 C ATOM 935 CG PHE A 64 1.929 0.777 -3.124 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.640 0.016 -4.245 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.773 0.203 -1.872 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.205 -1.290 -4.122 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.340 -1.103 -1.742 1.00 0.00 C ATOM 940 CZ PHE A 64 1.054 -1.850 -2.868 1.00 0.00 C ATOM 0 H PHE A 64 4.167 2.646 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 64 4.207 1.468 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.178 2.736 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.840 2.681 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.756 0.449 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.992 0.783 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.983 -1.872 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.225 -1.539 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.713 -2.870 -2.768 1.00 0.00 H new ATOM 950 N LEU A 65 3.885 3.574 -5.633 1.00 0.00 N ATOM 951 CA LEU A 65 4.101 4.736 -6.488 1.00 0.00 C ATOM 952 C LEU A 65 3.148 5.868 -6.118 1.00 0.00 C ATOM 953 O LEU A 65 3.564 7.016 -5.961 1.00 0.00 O ATOM 954 CB LEU A 65 3.912 4.355 -7.957 1.00 0.00 C ATOM 955 CG LEU A 65 4.325 5.411 -8.983 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.839 5.462 -9.117 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.678 5.127 -10.330 1.00 0.00 C ATOM 0 H LEU A 65 3.503 2.761 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 65 5.124 5.082 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.481 3.446 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.861 4.114 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 65 3.979 6.384 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.114 6.219 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.281 5.714 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.208 4.490 -9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.983 5.888 -11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.993 4.146 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.593 5.143 -10.223 1.00 0.00 H new ATOM 969 N SER A 66 1.869 5.537 -5.978 1.00 0.00 N ATOM 970 CA SER A 66 0.856 6.526 -5.628 1.00 0.00 C ATOM 971 C SER A 66 0.184 6.171 -4.306 1.00 0.00 C ATOM 972 O SER A 66 -0.049 4.999 -4.011 1.00 0.00 O ATOM 973 CB SER A 66 -0.193 6.627 -6.737 1.00 0.00 C ATOM 974 OG SER A 66 0.416 6.829 -8.000 1.00 0.00 O ATOM 0 H SER A 66 1.509 4.591 -6.102 1.00 0.00 H new ATOM 0 HA SER A 66 1.349 7.491 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.791 5.716 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.875 7.450 -6.523 1.00 0.00 H new ATOM 0 HG SER A 66 -0.276 6.888 -8.691 1.00 0.00 H new ATOM 980 N GLU A 67 -0.126 7.192 -3.513 1.00 0.00 N ATOM 981 CA GLU A 67 -0.771 6.988 -2.222 1.00 0.00 C ATOM 982 C GLU A 67 -1.948 6.026 -2.348 1.00 0.00 C ATOM 983 O GLU A 67 -2.006 5.007 -1.660 1.00 0.00 O ATOM 984 CB GLU A 67 -1.249 8.324 -1.648 1.00 0.00 C ATOM 985 CG GLU A 67 -1.711 8.235 -0.204 1.00 0.00 C ATOM 986 CD GLU A 67 -2.580 9.410 0.204 1.00 0.00 C ATOM 987 OE1 GLU A 67 -2.214 10.559 -0.119 1.00 0.00 O ATOM 988 OE2 GLU A 67 -3.626 9.179 0.846 1.00 0.00 O ATOM 0 H GLU A 67 0.059 8.168 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.038 6.551 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.439 9.050 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.068 8.701 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.268 7.309 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.840 8.187 0.450 1.00 0.00 H new ATOM 995 N GLU A 68 -2.885 6.358 -3.230 1.00 0.00 N ATOM 996 CA GLU A 68 -4.062 5.524 -3.445 1.00 0.00 C ATOM 997 C GLU A 68 -3.691 4.044 -3.423 1.00 0.00 C ATOM 998 O GLU A 68 -4.327 3.244 -2.737 1.00 0.00 O ATOM 999 CB GLU A 68 -4.726 5.875 -4.778 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.797 5.747 -5.974 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.264 6.561 -7.165 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -4.352 7.800 -7.040 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.542 5.957 -8.223 1.00 0.00 O ATOM 0 H GLU A 68 -2.852 7.198 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.766 5.717 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.588 5.225 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.102 6.897 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.796 6.070 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.724 4.698 -6.262 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.658 3.688 -4.180 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.202 2.304 -4.247 1.00 0.00 C ATOM 1012 C ASP A 69 -2.127 1.688 -2.854 1.00 0.00 C ATOM 1013 O ASP A 69 -2.527 0.542 -2.649 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.833 2.230 -4.926 1.00 0.00 C ATOM 1015 CG ASP A 69 -0.863 2.748 -6.350 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -1.905 2.584 -7.019 1.00 0.00 O ATOM 1017 OD2 ASP A 69 0.155 3.318 -6.796 1.00 0.00 O ATOM 0 H ASP A 69 -2.121 4.338 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.923 1.737 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.112 2.808 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.486 1.197 -4.926 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.611 2.455 -1.900 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.485 1.985 -0.526 1.00 0.00 C ATOM 1024 C ALA A 70 -2.846 1.616 0.055 1.00 0.00 C ATOM 1025 O ALA A 70 -3.082 0.467 0.428 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.811 3.043 0.335 1.00 0.00 C ATOM 0 H ALA A 70 -1.273 3.405 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.866 1.088 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.724 2.678 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.182 3.255 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.408 3.955 0.325 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.737 2.598 0.131 1.00 0.00 N ATOM 1033 CA ASP A 71 -5.075 2.377 0.666 1.00 0.00 C ATOM 1034 C ASP A 71 -5.692 1.109 0.083 1.00 0.00 C ATOM 1035 O ASP A 71 -6.389 0.369 0.777 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.973 3.579 0.368 1.00 0.00 C ATOM 1037 CG ASP A 71 -7.423 3.323 0.729 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.953 2.261 0.338 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -8.027 4.183 1.403 1.00 0.00 O ATOM 0 H ASP A 71 -3.557 3.555 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.991 2.255 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.611 4.445 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.904 3.827 -0.691 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.431 0.866 -1.197 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.963 -0.310 -1.875 1.00 0.00 C ATOM 1046 C TYR A 72 -5.304 -1.584 -1.354 1.00 0.00 C ATOM 1047 O TYR A 72 -5.940 -2.634 -1.268 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.749 -0.193 -3.386 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.556 -1.188 -4.189 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.197 -2.530 -4.232 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.675 -0.787 -4.908 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.930 -3.443 -4.965 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.415 -1.693 -5.643 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.038 -3.019 -5.669 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.772 -3.925 -6.401 1.00 0.00 O ATOM 0 H TYR A 72 -4.855 1.468 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.032 -0.365 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.010 0.816 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.691 -0.333 -3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.330 -2.865 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.972 0.251 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.637 -4.482 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.284 -1.364 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.520 -3.465 -6.836 1.00 0.00 H new ATOM 1065 N ALA A 73 -4.025 -1.481 -1.007 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.280 -2.623 -0.492 1.00 0.00 C ATOM 1067 C ALA A 73 -3.566 -2.842 0.990 1.00 0.00 C ATOM 1068 O ALA A 73 -3.493 -3.967 1.486 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.789 -2.426 -0.720 1.00 0.00 C ATOM 0 H ALA A 73 -3.484 -0.619 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.605 -3.512 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.245 -3.286 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.594 -2.326 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.458 -1.524 -0.205 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.892 -1.761 1.691 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.189 -1.837 3.116 1.00 0.00 C ATOM 1077 C ILE A 74 -5.570 -2.436 3.358 1.00 0.00 C ATOM 1078 O ILE A 74 -5.914 -2.797 4.484 1.00 0.00 O ATOM 1079 CB ILE A 74 -4.121 -0.448 3.779 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.764 0.204 3.508 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.370 -0.564 5.276 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.767 1.705 3.694 1.00 0.00 C ATOM 0 H ILE A 74 -3.957 -0.823 1.296 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.432 -2.482 3.563 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.898 0.183 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.020 -0.235 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.456 -0.027 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.319 0.425 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.357 -0.992 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.612 -1.208 5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.773 2.099 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.487 2.155 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.044 1.944 4.721 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.358 -2.542 2.294 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.702 -3.101 2.388 1.00 0.00 C ATOM 1096 C LYS A 75 -7.688 -4.600 2.108 1.00 0.00 C ATOM 1097 O LYS A 75 -8.478 -5.354 2.678 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.640 -2.396 1.405 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.730 -3.082 0.053 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.325 -2.161 -1.000 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.841 -2.273 -1.046 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.285 -3.569 -1.630 1.00 0.00 N ATOM 0 H LYS A 75 -6.089 -2.248 1.355 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.065 -2.942 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.637 -2.341 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.298 -1.371 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.736 -3.401 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.341 -3.980 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.042 -1.131 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.911 -2.409 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.243 -2.172 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.248 -1.451 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.274 -3.489 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.684 -3.807 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.207 -4.318 -0.912 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.787 -5.025 1.230 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.670 -6.435 0.877 1.00 0.00 C ATOM 1118 C ILE A 76 -5.501 -7.088 1.607 1.00 0.00 C ATOM 1119 O ILE A 76 -5.609 -8.216 2.088 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.482 -6.622 -0.640 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.206 -5.920 -1.109 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.693 -6.090 -1.393 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.881 -6.166 -2.566 1.00 0.00 C ATOM 0 H ILE A 76 -6.127 -4.414 0.749 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.600 -6.915 1.181 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.386 -7.687 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.310 -4.847 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.370 -6.257 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.545 -6.229 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.585 -6.631 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.817 -5.029 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.964 -5.638 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.745 -7.234 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.699 -5.803 -3.188 1.00 0.00 H new ATOM 1135 N MET A 77 -4.385 -6.372 1.686 1.00 0.00 N ATOM 1136 CA MET A 77 -3.196 -6.882 2.360 1.00 0.00 C ATOM 1137 C MET A 77 -3.302 -6.688 3.870 1.00 0.00 C ATOM 1138 O MET A 77 -2.305 -6.768 4.587 1.00 0.00 O ATOM 1139 CB MET A 77 -1.943 -6.181 1.831 1.00 0.00 C ATOM 1140 CG MET A 77 -1.914 -6.049 0.317 1.00 0.00 C ATOM 1141 SD MET A 77 -2.165 -7.626 -0.521 1.00 0.00 S ATOM 1142 CE MET A 77 -0.671 -7.728 -1.504 1.00 0.00 C ATOM 0 H MET A 77 -4.278 -5.437 1.292 1.00 0.00 H new ATOM 0 HA MET A 77 -3.121 -7.949 2.153 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.877 -5.188 2.275 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.062 -6.735 2.156 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.687 -5.347 0.002 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.957 -5.627 0.011 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.379 -8.772 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.852 -7.295 -2.488 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.129 -7.179 -1.008 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.516 -6.433 4.345 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.752 -6.229 5.769 1.00 0.00 C ATOM 1154 C ASP A 78 -5.324 -7.489 6.412 1.00 0.00 C ATOM 1155 O ASP A 78 -6.358 -8.002 5.982 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.706 -5.053 5.987 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.552 -5.216 7.234 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -5.978 -5.489 8.309 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -7.789 -5.073 7.135 1.00 0.00 O ATOM 0 H ASP A 78 -5.352 -6.363 3.765 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.796 -6.004 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.130 -4.131 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.358 -4.953 5.120 1.00 0.00 H new ATOM 1164 N MET A 79 -4.645 -7.983 7.441 1.00 0.00 N ATOM 1165 CA MET A 79 -5.086 -9.183 8.143 1.00 0.00 C ATOM 1166 C MET A 79 -5.066 -10.393 7.214 1.00 0.00 C ATOM 1167 O MET A 79 -5.908 -11.285 7.324 1.00 0.00 O ATOM 1168 CB MET A 79 -6.494 -8.982 8.706 1.00 0.00 C ATOM 1169 CG MET A 79 -6.509 -8.425 10.121 1.00 0.00 C ATOM 1170 SD MET A 79 -8.074 -7.634 10.540 1.00 0.00 S ATOM 1171 CE MET A 79 -7.571 -5.917 10.635 1.00 0.00 C ATOM 0 H MET A 79 -3.787 -7.571 7.808 1.00 0.00 H new ATOM 0 HA MET A 79 -4.396 -9.367 8.967 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.045 -8.306 8.052 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.021 -9.936 8.694 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.314 -9.232 10.827 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.700 -7.703 10.231 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.866 -5.504 11.600 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.489 -5.848 10.527 1.00 0.00 H new ATOM 0 HE3 MET A 79 -8.052 -5.352 9.836 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.101 -10.417 6.301 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.971 -11.518 5.356 1.00 0.00 C ATOM 1183 C ILE A 80 -3.351 -12.743 6.019 1.00 0.00 C ATOM 1184 O ILE A 80 -2.623 -12.627 7.005 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.116 -11.118 4.139 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.948 -10.300 3.150 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.545 -12.356 3.463 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.377 -10.282 1.749 1.00 0.00 C ATOM 0 H ILE A 80 -3.398 -9.686 6.196 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.978 -11.763 5.017 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.286 -10.501 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.959 -10.705 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.027 -9.276 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.943 -12.057 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.921 -12.902 4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.361 -12.997 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.019 -9.684 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.377 -9.849 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.324 -11.301 1.365 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.641 -13.918 5.470 1.00 0.00 N ATOM 1201 CA LYS A 81 -3.110 -15.165 6.005 1.00 0.00 C ATOM 1202 C LYS A 81 -2.028 -15.732 5.092 1.00 0.00 C ATOM 1203 O LYS A 81 -2.304 -16.569 4.230 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.233 -16.189 6.179 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.901 -16.134 7.543 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.468 -17.486 7.941 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.357 -17.378 9.171 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.049 -18.662 9.470 1.00 0.00 N ATOM 0 H LYS A 81 -4.242 -14.032 4.654 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.666 -14.953 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.986 -16.024 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.829 -17.189 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.178 -15.807 8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.700 -15.393 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.042 -17.900 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.651 -18.180 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.754 -17.082 10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.098 -16.594 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.645 -18.547 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.644 -18.932 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.342 -19.405 9.643 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.796 -15.274 5.285 1.00 0.00 N ATOM 1223 CA LEU A 82 0.328 -15.737 4.479 1.00 0.00 C ATOM 1224 C LEU A 82 1.136 -16.792 5.227 1.00 0.00 C ATOM 1225 O LEU A 82 1.255 -16.745 6.452 1.00 0.00 O ATOM 1226 CB LEU A 82 1.230 -14.560 4.102 1.00 0.00 C ATOM 1227 CG LEU A 82 2.369 -14.871 3.132 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.818 -15.285 1.776 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.293 -13.670 2.990 1.00 0.00 C ATOM 0 H LEU A 82 -0.550 -14.582 5.993 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.070 -16.188 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.609 -13.779 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.660 -14.150 5.016 1.00 0.00 H new ATOM 0 HG LEU A 82 2.947 -15.702 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.644 -15.502 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.199 -16.175 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.216 -14.475 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.098 -13.910 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.728 -12.819 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.716 -13.419 3.963 1.00 0.00 H new ATOM 1241 N TYR A 83 1.692 -17.742 4.483 1.00 0.00 N ATOM 1242 CA TYR A 83 2.489 -18.809 5.075 1.00 0.00 C ATOM 1243 C TYR A 83 2.136 -19.000 6.547 1.00 0.00 C ATOM 1244 O TYR A 83 3.003 -18.950 7.418 1.00 0.00 O ATOM 1245 CB TYR A 83 3.981 -18.499 4.934 1.00 0.00 C ATOM 1246 CG TYR A 83 4.361 -17.959 3.573 1.00 0.00 C ATOM 1247 CD1 TYR A 83 3.926 -18.583 2.411 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.153 -16.825 3.451 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.272 -18.094 1.166 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.503 -16.328 2.210 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.060 -16.966 1.071 1.00 0.00 C ATOM 1252 OH TYR A 83 5.405 -16.475 -0.168 1.00 0.00 O ATOM 0 H TYR A 83 1.605 -17.794 3.468 1.00 0.00 H new ATOM 0 HA TYR A 83 2.264 -19.733 4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.267 -17.774 5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.552 -19.407 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.307 -19.465 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.501 -16.323 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.927 -18.592 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.120 -15.445 2.133 1.00 0.00 H new ATOM 0 HH TYR A 83 4.697 -16.685 -0.812 1.00 0.00 H new ATOM 1262 N GLY A 84 0.852 -19.221 6.817 1.00 0.00 N ATOM 1263 CA GLY A 84 0.405 -19.417 8.183 1.00 0.00 C ATOM 1264 C GLY A 84 0.854 -18.302 9.106 1.00 0.00 C ATOM 1265 O GLY A 84 1.627 -18.529 10.037 1.00 0.00 O ATOM 0 H GLY A 84 0.115 -19.268 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.683 -19.483 8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.787 -20.368 8.554 1.00 0.00 H new ATOM 1269 N LYS A 85 0.370 -17.092 8.848 1.00 0.00 N ATOM 1270 CA LYS A 85 0.725 -15.935 9.662 1.00 0.00 C ATOM 1271 C LYS A 85 -0.134 -14.729 9.299 1.00 0.00 C ATOM 1272 O LYS A 85 -0.006 -14.147 8.222 1.00 0.00 O ATOM 1273 CB LYS A 85 2.206 -15.594 9.480 1.00 0.00 C ATOM 1274 CG LYS A 85 3.124 -16.336 10.436 1.00 0.00 C ATOM 1275 CD LYS A 85 4.362 -15.521 10.766 1.00 0.00 C ATOM 1276 CE LYS A 85 4.102 -14.550 11.907 1.00 0.00 C ATOM 1277 NZ LYS A 85 5.365 -14.128 12.576 1.00 0.00 N ATOM 0 H LYS A 85 -0.270 -16.887 8.081 1.00 0.00 H new ATOM 0 HA LYS A 85 0.542 -16.187 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.500 -15.824 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.343 -14.521 9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.584 -16.567 11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.421 -17.287 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.179 -16.191 11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.681 -14.969 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.583 -13.671 11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.442 -15.017 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.156 -13.391 13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.797 -14.947 13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.025 -13.751 11.866 1.00 0.00 H new ATOM 1291 N PRO A 86 -1.032 -14.342 10.218 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.928 -13.200 10.017 1.00 0.00 C ATOM 1293 C PRO A 86 -1.185 -11.869 10.039 1.00 0.00 C ATOM 1294 O PRO A 86 -1.113 -11.205 11.074 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.893 -13.294 11.201 1.00 0.00 C ATOM 1296 CG PRO A 86 -2.132 -14.024 12.253 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.240 -14.990 11.524 1.00 0.00 C ATOM 0 HA PRO A 86 -2.420 -13.234 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.195 -12.305 11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.803 -13.828 10.928 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.546 -13.334 12.860 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.807 -14.550 12.929 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.298 -15.144 12.051 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.709 -15.968 11.417 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.635 -11.484 8.893 1.00 0.00 N ATOM 1306 CA ILE A 87 0.101 -10.231 8.782 1.00 0.00 C ATOM 1307 C ILE A 87 -0.786 -9.040 9.129 1.00 0.00 C ATOM 1308 O ILE A 87 -1.993 -9.187 9.320 1.00 0.00 O ATOM 1309 CB ILE A 87 0.671 -10.036 7.364 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.464 -9.818 6.361 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.516 -11.236 6.964 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.004 -9.269 5.031 1.00 0.00 C ATOM 0 H ILE A 87 -0.685 -12.022 8.028 1.00 0.00 H new ATOM 0 HA ILE A 87 0.926 -10.286 9.492 1.00 0.00 H new ATOM 0 HB ILE A 87 1.308 -9.151 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.978 -10.765 6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.193 -9.132 6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.912 -11.084 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.342 -11.350 7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.901 -12.136 6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.852 -9.139 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.492 -8.307 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.710 -9.965 4.578 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.179 -7.860 9.207 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.913 -6.643 9.531 1.00 0.00 C ATOM 1326 C ARG A 88 -0.401 -5.464 8.709 1.00 0.00 C ATOM 1327 O ARG A 88 0.797 -5.185 8.684 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.791 -6.329 11.023 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.701 -5.204 11.486 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.140 -5.676 11.633 1.00 0.00 C ATOM 1331 NE ARG A 88 -4.008 -4.627 12.160 1.00 0.00 N ATOM 1332 CZ ARG A 88 -5.156 -4.868 12.784 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.570 -6.115 12.958 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -5.891 -3.860 13.236 1.00 0.00 N ATOM 0 H ARG A 88 0.819 -7.721 9.050 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.962 -6.806 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.020 -7.228 11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.242 -6.064 11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.345 -4.816 12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.658 -4.382 10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.515 -6.004 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.172 -6.540 12.296 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.717 -3.656 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.007 -6.892 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.452 -6.297 13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.575 -2.899 13.105 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.772 -4.046 13.715 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.318 -4.776 8.035 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.960 -3.627 7.213 1.00 0.00 C ATOM 1350 C VAL A 89 -1.724 -2.381 7.646 1.00 0.00 C ATOM 1351 O VAL A 89 -2.906 -2.450 7.978 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.240 -3.895 5.722 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -0.995 -2.640 4.898 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.385 -5.048 5.218 1.00 0.00 C ATOM 0 H VAL A 89 -2.314 -4.995 8.043 1.00 0.00 H new ATOM 0 HA VAL A 89 0.108 -3.460 7.351 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.288 -4.174 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.198 -2.849 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.654 -1.844 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.043 -2.327 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.596 -5.223 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.669 -4.800 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.615 -5.948 5.788 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.039 -1.242 7.640 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.653 0.021 8.033 1.00 0.00 C ATOM 1366 C ASN A 90 -0.819 1.205 7.552 1.00 0.00 C ATOM 1367 O ASN A 90 0.405 1.116 7.452 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.817 0.082 9.553 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.311 -1.229 10.134 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.535 -2.164 10.333 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.608 -1.303 10.408 1.00 0.00 N ATOM 0 H ASN A 90 -0.059 -1.168 7.367 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.636 0.079 7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.861 0.341 10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.518 0.877 9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.998 -2.160 10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.214 -0.503 10.227 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.489 2.313 7.257 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.811 3.516 6.789 1.00 0.00 C ATOM 1380 C LYS A 91 0.471 3.760 7.578 1.00 0.00 C ATOM 1381 O LYS A 91 0.433 3.994 8.785 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.737 4.729 6.912 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.711 4.870 5.755 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.035 5.450 4.524 1.00 0.00 C ATOM 1385 CE LYS A 91 -3.055 5.909 3.493 1.00 0.00 C ATOM 1386 NZ LYS A 91 -2.444 6.803 2.470 1.00 0.00 N ATOM 0 H LYS A 91 -2.502 2.403 7.334 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.550 3.371 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.300 4.653 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.131 5.633 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.134 3.895 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.540 5.512 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.406 6.291 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.379 4.701 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.492 5.040 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.868 6.433 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.133 6.985 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.171 7.703 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.601 6.346 2.069 1.00 0.00 H new ATOM 1400 N ALA A 92 1.605 3.705 6.887 1.00 0.00 N ATOM 1401 CA ALA A 92 2.898 3.924 7.523 1.00 0.00 C ATOM 1402 C ALA A 92 2.844 5.105 8.486 1.00 0.00 C ATOM 1403 O ALA A 92 3.326 5.020 9.615 1.00 0.00 O ATOM 1404 CB ALA A 92 3.973 4.148 6.470 1.00 0.00 C ATOM 0 H ALA A 92 1.654 3.511 5.887 1.00 0.00 H new ATOM 0 HA ALA A 92 3.148 3.032 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.933 4.310 6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.038 3.272 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.719 5.022 5.871 1.00 0.00 H new ATOM 1410 N SER A 93 2.253 6.206 8.032 1.00 0.00 N ATOM 1411 CA SER A 93 2.140 7.406 8.853 1.00 0.00 C ATOM 1412 C SER A 93 0.908 7.337 9.750 1.00 0.00 C ATOM 1413 O SER A 93 0.102 8.265 9.789 1.00 0.00 O ATOM 1414 CB SER A 93 2.069 8.651 7.966 1.00 0.00 C ATOM 1415 OG SER A 93 0.995 8.561 7.046 1.00 0.00 O ATOM 0 H SER A 93 1.845 6.292 7.101 1.00 0.00 H new ATOM 0 HA SER A 93 3.026 7.468 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.946 9.538 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.007 8.769 7.424 1.00 0.00 H new ATOM 0 HG SER A 93 0.984 9.359 6.477 1.00 0.00 H new ATOM 1421 N ALA A 94 0.770 6.228 10.470 1.00 0.00 N ATOM 1422 CA ALA A 94 -0.361 6.037 11.369 1.00 0.00 C ATOM 1423 C ALA A 94 0.109 5.710 12.782 1.00 0.00 C ATOM 1424 O ALA A 94 -0.372 6.289 13.757 1.00 0.00 O ATOM 1425 CB ALA A 94 -1.270 4.935 10.846 1.00 0.00 C ATOM 0 H ALA A 94 1.428 5.449 10.448 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.923 6.970 11.408 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.111 4.803 11.527 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.642 5.208 9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.709 4.003 10.777 1.00 0.00 H new ATOM 1431 N HIS A 95 1.052 4.779 12.887 1.00 0.00 N ATOM 1432 CA HIS A 95 1.588 4.375 14.182 1.00 0.00 C ATOM 1433 C HIS A 95 2.305 5.539 14.860 1.00 0.00 C ATOM 1434 O HIS A 95 2.167 5.749 16.064 1.00 0.00 O ATOM 1435 CB HIS A 95 2.547 3.197 14.016 1.00 0.00 C ATOM 1436 CG HIS A 95 3.960 3.609 13.736 1.00 0.00 C ATOM 1437 ND1 HIS A 95 4.496 4.276 12.688 1.00 0.00 N flip ATOM 1438 CD2 HIS A 95 5.007 3.336 14.591 1.00 0.00 C flip ATOM 1439 CE1 HIS A 95 5.843 4.394 12.926 1.00 0.00 C flip ATOM 1440 NE2 HIS A 95 6.125 3.820 14.081 1.00 0.00 N flip ATOM 0 H HIS A 95 1.461 4.290 12.091 1.00 0.00 H new ATOM 0 HA HIS A 95 0.754 4.068 14.813 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.527 2.592 14.923 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.194 2.564 13.202 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.926 2.809 15.530 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.556 4.878 12.275 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.050 3.760 14.507 1.00 0.00 H new ATOM 1448 N ASN A 96 3.072 6.291 14.078 1.00 0.00 N ATOM 1449 CA ASN A 96 3.812 7.433 14.603 1.00 0.00 C ATOM 1450 C ASN A 96 2.865 8.567 14.983 1.00 0.00 C ATOM 1451 O ASN A 96 2.944 9.115 16.083 1.00 0.00 O ATOM 1452 CB ASN A 96 4.829 7.927 13.571 1.00 0.00 C ATOM 1453 CG ASN A 96 4.168 8.413 12.296 1.00 0.00 C ATOM 1454 OD1 ASN A 96 3.237 7.788 11.788 1.00 0.00 O ATOM 1455 ND2 ASN A 96 4.649 9.534 11.771 1.00 0.00 N ATOM 0 H ASN A 96 3.198 6.130 13.079 1.00 0.00 H new ATOM 0 HA ASN A 96 4.341 7.110 15.499 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.418 8.736 14.003 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.522 7.120 13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.245 9.910 10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.422 10.020 12.226 1.00 0.00 H new ATOM 1462 N LYS A 97 1.969 8.915 14.066 1.00 0.00 N ATOM 1463 CA LYS A 97 1.004 9.982 14.304 1.00 0.00 C ATOM 1464 C LYS A 97 1.707 11.261 14.747 1.00 0.00 C ATOM 1465 O LYS A 97 1.390 11.824 15.794 1.00 0.00 O ATOM 1466 CB LYS A 97 -0.012 9.552 15.365 1.00 0.00 C ATOM 1467 CG LYS A 97 -1.419 10.058 15.100 1.00 0.00 C ATOM 1468 CD LYS A 97 -1.674 11.385 15.793 1.00 0.00 C ATOM 1469 CE LYS A 97 -2.815 12.147 15.135 1.00 0.00 C ATOM 1470 NZ LYS A 97 -3.308 13.259 15.995 1.00 0.00 N ATOM 0 H LYS A 97 1.891 8.473 13.150 1.00 0.00 H new ATOM 0 HA LYS A 97 0.481 10.180 13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.030 8.463 15.418 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.318 9.913 16.339 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.569 10.172 14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.143 9.321 15.446 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.910 11.209 16.843 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.768 11.990 15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.480 12.549 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.635 11.461 14.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.230 13.588 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.412 12.922 16.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.627 14.045 15.970 1.00 0.00 H new ATOM 1484 N ASN A 98 2.661 11.716 13.941 1.00 0.00 N ATOM 1485 CA ASN A 98 3.407 12.931 14.250 1.00 0.00 C ATOM 1486 C ASN A 98 3.663 13.748 12.987 1.00 0.00 C ATOM 1487 O ASN A 98 4.108 13.216 11.969 1.00 0.00 O ATOM 1488 CB ASN A 98 4.737 12.580 14.922 1.00 0.00 C ATOM 1489 CG ASN A 98 4.564 12.195 16.378 1.00 0.00 C ATOM 1490 OD1 ASN A 98 3.701 11.387 16.720 1.00 0.00 O ATOM 1491 ND2 ASN A 98 5.388 12.774 17.244 1.00 0.00 N ATOM 0 H ASN A 98 2.936 11.262 13.070 1.00 0.00 H new ATOM 0 HA ASN A 98 2.808 13.532 14.935 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.207 11.756 14.384 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.413 13.433 14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.320 12.554 18.238 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.089 13.438 16.915 1.00 0.00 H new ATOM 1498 N LEU A 99 3.379 15.044 13.060 1.00 0.00 N ATOM 1499 CA LEU A 99 3.579 15.936 11.924 1.00 0.00 C ATOM 1500 C LEU A 99 4.481 17.107 12.302 1.00 0.00 C ATOM 1501 O LEU A 99 4.049 18.044 12.973 1.00 0.00 O ATOM 1502 CB LEU A 99 2.233 16.457 11.417 1.00 0.00 C ATOM 1503 CG LEU A 99 1.484 15.547 10.444 1.00 0.00 C ATOM 1504 CD1 LEU A 99 0.790 14.420 11.193 1.00 0.00 C ATOM 1505 CD2 LEU A 99 0.478 16.348 9.631 1.00 0.00 C ATOM 0 H LEU A 99 3.010 15.500 13.894 1.00 0.00 H new ATOM 0 HA LEU A 99 4.065 15.369 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.590 16.642 12.278 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.398 17.418 10.930 1.00 0.00 H new ATOM 0 HG LEU A 99 2.208 15.108 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.262 13.783 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.532 13.829 11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.078 14.840 11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.046 15.684 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.242 16.816 10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.000 17.119 9.064 1.00 0.00 H new ATOM 1517 N SER A 100 5.735 17.046 11.866 1.00 0.00 N ATOM 1518 CA SER A 100 6.698 18.100 12.160 1.00 0.00 C ATOM 1519 C SER A 100 6.650 19.193 11.096 1.00 0.00 C ATOM 1520 O SER A 100 6.591 18.908 9.901 1.00 0.00 O ATOM 1521 CB SER A 100 8.111 17.519 12.248 1.00 0.00 C ATOM 1522 OG SER A 100 8.519 16.980 11.002 1.00 0.00 O ATOM 0 H SER A 100 6.108 16.278 11.308 1.00 0.00 H new ATOM 0 HA SER A 100 6.434 18.541 13.121 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.809 18.297 12.557 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.141 16.742 13.012 1.00 0.00 H new ATOM 0 HG SER A 100 9.425 16.617 11.084 1.00 0.00 H new ATOM 1528 N GLY A 101 6.676 20.445 11.542 1.00 0.00 N ATOM 1529 CA GLY A 101 6.635 21.562 10.616 1.00 0.00 C ATOM 1530 C GLY A 101 7.596 22.670 11.001 1.00 0.00 C ATOM 1531 O GLY A 101 7.351 23.438 11.932 1.00 0.00 O ATOM 0 H GLY A 101 6.725 20.706 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.876 21.208 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.621 21.961 10.578 1.00 0.00 H new ATOM 1535 N PRO A 102 8.719 22.762 10.274 1.00 0.00 N ATOM 1536 CA PRO A 102 9.744 23.780 10.527 1.00 0.00 C ATOM 1537 C PRO A 102 9.272 25.182 10.156 1.00 0.00 C ATOM 1538 O PRO A 102 8.140 25.368 9.709 1.00 0.00 O ATOM 1539 CB PRO A 102 10.902 23.349 9.624 1.00 0.00 C ATOM 1540 CG PRO A 102 10.259 22.571 8.528 1.00 0.00 C ATOM 1541 CD PRO A 102 9.076 21.881 9.150 1.00 0.00 C ATOM 0 HA PRO A 102 10.008 23.839 11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.441 24.212 9.233 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.624 22.742 10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 102 9.946 23.227 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.954 21.847 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.253 21.779 8.443 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.330 20.877 9.491 1.00 0.00 H new ATOM 1549 N SER A 103 10.147 26.165 10.344 1.00 0.00 N ATOM 1550 CA SER A 103 9.818 27.551 10.032 1.00 0.00 C ATOM 1551 C SER A 103 10.443 27.972 8.705 1.00 0.00 C ATOM 1552 O SER A 103 9.765 28.510 7.830 1.00 0.00 O ATOM 1553 CB SER A 103 10.299 28.476 11.152 1.00 0.00 C ATOM 1554 OG SER A 103 9.370 28.507 12.221 1.00 0.00 O ATOM 0 H SER A 103 11.089 26.027 10.711 1.00 0.00 H new ATOM 0 HA SER A 103 8.734 27.631 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.268 28.136 11.518 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.441 29.483 10.760 1.00 0.00 H new ATOM 0 HG SER A 103 9.701 29.103 12.925 1.00 0.00 H new ATOM 1560 N SER A 104 11.741 27.723 8.564 1.00 0.00 N ATOM 1561 CA SER A 104 12.460 28.079 7.347 1.00 0.00 C ATOM 1562 C SER A 104 12.703 26.848 6.479 1.00 0.00 C ATOM 1563 O SER A 104 12.513 26.884 5.264 1.00 0.00 O ATOM 1564 CB SER A 104 13.794 28.743 7.693 1.00 0.00 C ATOM 1565 OG SER A 104 14.722 27.795 8.191 1.00 0.00 O ATOM 0 H SER A 104 12.316 27.276 9.278 1.00 0.00 H new ATOM 0 HA SER A 104 11.846 28.783 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.204 29.226 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.633 29.524 8.436 1.00 0.00 H new ATOM 0 HG SER A 104 15.567 28.244 8.403 1.00 0.00 H new ATOM 1571 N GLY A 105 13.123 25.758 7.113 1.00 0.00 N ATOM 1572 CA GLY A 105 13.385 24.530 6.385 1.00 0.00 C ATOM 1573 C GLY A 105 14.590 23.784 6.921 1.00 0.00 C ATOM 1574 O GLY A 105 15.200 22.984 6.211 1.00 0.00 O ATOM 0 H GLY A 105 13.287 25.703 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.508 23.885 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.544 24.762 5.332 1.00 0.00 H new TER 1578 GLY A 105