USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ 148:sc= 0.955 (180deg=-0.617) USER MOD Set 1.2: A 74 CYS SG : rot 170:sc= 0.629 USER MOD Single : A 1 SER N :NH3+ -171:sc= -0.0255 (180deg=-0.112) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -69:sc= -1.09 USER MOD Single : A 8 LYS NZ :NH3+ 137:sc= -0.053 (180deg=-0.368) USER MOD Single : A 10 MET CE :methyl 156:sc= -0.327 (180deg=-1.22) USER MOD Single : A 11 SER OG : rot -75:sc= 1.28 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0194 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 2.28 (180deg=1.86) USER MOD Single : A 17 GLN : amide:sc= 0.897 K(o=0.9,f=-5.4!) USER MOD Single : A 19 SER OG : rot -53:sc= 1.31 USER MOD Single : A 23 ASN : amide:sc= -0.0611 X(o=-0.061,f=-0.061) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0121 (180deg=-0.186) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.696 K(o=-0.7,f=-3.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0778 K(o=-0.078,f=-0.76!) USER MOD Single : A 47 SER OG : rot 78:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 THR OG1 : rot -9:sc= -0.695 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.29) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 63 THR OG1 : rot -175:sc= 0.608 USER MOD Single : A 70 TYR OH : rot 158:sc= 0.383 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 73 SER OG : rot 84:sc= 1.23 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= -0.0126 (180deg=-0.138) USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= 1.26 (180deg=1.04) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0.714 (180deg=0.62) USER MOD Single : A 82 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.84) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -157:sc= 0.838 (180deg=0.212) USER MOD Single : B 207 THR OG1 : rot 52:sc= 0.356 USER MOD Single : B 208 LYS NZ :NH3+ 169:sc= -0.716! (180deg=-0.775!) USER MOD Single : B 209 THR OG1 : rot 19:sc= 0.833 USER MOD Single : B 211 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.37) USER MOD Single : B 212 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.360 -8.325 -12.241 1.00 0.00 N ATOM 2 CA SER A 1 -15.000 -7.793 -12.471 1.00 0.00 C ATOM 3 C SER A 1 -14.846 -6.375 -11.907 1.00 0.00 C ATOM 4 O SER A 1 -13.751 -5.976 -11.507 1.00 0.00 O ATOM 5 CB SER A 1 -14.707 -7.795 -13.971 1.00 0.00 C ATOM 6 OG SER A 1 -15.118 -9.020 -14.556 1.00 0.00 O ATOM 0 H1 SER A 1 -16.386 -9.333 -12.495 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.611 -8.214 -11.238 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.041 -7.802 -12.828 1.00 0.00 H new ATOM 0 HA SER A 1 -14.287 -8.433 -11.951 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.226 -6.964 -14.450 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.641 -7.645 -14.139 1.00 0.00 H new ATOM 0 HG SER A 1 -14.925 -9.005 -15.517 1.00 0.00 H new ATOM 14 N GLU A 2 -15.945 -5.619 -11.859 1.00 0.00 N ATOM 15 CA GLU A 2 -15.899 -4.224 -11.420 1.00 0.00 C ATOM 16 C GLU A 2 -15.871 -4.112 -9.897 1.00 0.00 C ATOM 17 O GLU A 2 -15.594 -3.044 -9.351 1.00 0.00 O ATOM 18 CB GLU A 2 -17.105 -3.453 -11.959 1.00 0.00 C ATOM 19 CG GLU A 2 -18.442 -4.014 -11.502 1.00 0.00 C ATOM 20 CD GLU A 2 -19.611 -3.151 -11.919 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.074 -3.282 -13.070 1.00 0.00 O ATOM 22 OE2 GLU A 2 -20.083 -2.339 -11.092 1.00 0.00 O ATOM 0 H GLU A 2 -16.875 -5.949 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.979 -3.793 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.031 -2.412 -11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.072 -3.459 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.570 -5.015 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.438 -4.113 -10.416 1.00 0.00 H new ATOM 29 N GLU A 3 -16.144 -5.223 -9.225 1.00 0.00 N ATOM 30 CA GLU A 3 -16.248 -5.251 -7.767 1.00 0.00 C ATOM 31 C GLU A 3 -14.951 -4.834 -7.077 1.00 0.00 C ATOM 32 O GLU A 3 -14.956 -4.508 -5.895 1.00 0.00 O ATOM 33 CB GLU A 3 -16.654 -6.639 -7.299 1.00 0.00 C ATOM 34 CG GLU A 3 -15.563 -7.652 -7.500 1.00 0.00 C ATOM 35 CD GLU A 3 -15.914 -9.013 -6.945 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.638 -9.268 -5.757 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.479 -9.834 -7.697 1.00 0.00 O ATOM 0 H GLU A 3 -16.299 -6.127 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.012 -4.525 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.920 -6.600 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.545 -6.956 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.351 -7.743 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.650 -7.295 -7.023 1.00 0.00 H new ATOM 44 N GLU A 4 -13.843 -4.843 -7.807 1.00 0.00 N ATOM 45 CA GLU A 4 -12.569 -4.444 -7.224 1.00 0.00 C ATOM 46 C GLU A 4 -12.411 -2.926 -7.268 1.00 0.00 C ATOM 47 O GLU A 4 -11.839 -2.329 -6.358 1.00 0.00 O ATOM 48 CB GLU A 4 -11.388 -5.129 -7.930 1.00 0.00 C ATOM 49 CG GLU A 4 -11.271 -4.805 -9.411 1.00 0.00 C ATOM 50 CD GLU A 4 -10.050 -5.441 -10.042 1.00 0.00 C ATOM 51 OE1 GLU A 4 -8.934 -4.906 -9.864 1.00 0.00 O ATOM 52 OE2 GLU A 4 -10.196 -6.479 -10.719 1.00 0.00 O ATOM 0 H GLU A 4 -13.800 -5.118 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.566 -4.766 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.463 -4.837 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.486 -6.208 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.166 -5.150 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.224 -3.724 -9.542 1.00 0.00 H new ATOM 59 N ASP A 5 -12.944 -2.305 -8.314 1.00 0.00 N ATOM 60 CA ASP A 5 -12.825 -0.860 -8.486 1.00 0.00 C ATOM 61 C ASP A 5 -13.978 -0.132 -7.804 1.00 0.00 C ATOM 62 O ASP A 5 -13.923 1.081 -7.600 1.00 0.00 O ATOM 63 CB ASP A 5 -12.746 -0.480 -9.973 1.00 0.00 C ATOM 64 CG ASP A 5 -11.489 -1.009 -10.632 1.00 0.00 C ATOM 65 OD1 ASP A 5 -10.414 -0.393 -10.458 1.00 0.00 O ATOM 66 OD2 ASP A 5 -11.566 -2.043 -11.324 1.00 0.00 O ATOM 0 H ASP A 5 -13.462 -2.777 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.896 -0.547 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.620 -0.872 -10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.777 0.605 -10.071 1.00 0.00 H new ATOM 71 N LYS A 6 -15.025 -0.872 -7.448 1.00 0.00 N ATOM 72 CA LYS A 6 -16.155 -0.302 -6.729 1.00 0.00 C ATOM 73 C LYS A 6 -16.378 -1.099 -5.445 1.00 0.00 C ATOM 74 O LYS A 6 -17.503 -1.294 -4.981 1.00 0.00 O ATOM 75 CB LYS A 6 -17.409 -0.296 -7.616 1.00 0.00 C ATOM 76 CG LYS A 6 -18.577 0.510 -7.044 1.00 0.00 C ATOM 77 CD LYS A 6 -18.215 1.977 -6.866 1.00 0.00 C ATOM 78 CE LYS A 6 -19.381 2.777 -6.310 1.00 0.00 C ATOM 79 NZ LYS A 6 -19.023 4.202 -6.078 1.00 0.00 N ATOM 0 H LYS A 6 -15.112 -1.869 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.943 0.734 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.147 0.109 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.734 -1.324 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.437 0.425 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.874 0.089 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.361 2.063 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.910 2.396 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.220 2.723 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.712 2.330 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.848 4.710 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.239 4.257 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.731 4.637 -6.976 1.00 0.00 H new ATOM 93 N CYS A 7 -15.275 -1.572 -4.894 1.00 0.00 N ATOM 94 CA CYS A 7 -15.289 -2.362 -3.666 1.00 0.00 C ATOM 95 C CYS A 7 -15.685 -1.501 -2.471 1.00 0.00 C ATOM 96 O CYS A 7 -15.590 -0.275 -2.515 1.00 0.00 O ATOM 97 CB CYS A 7 -13.903 -2.975 -3.427 1.00 0.00 C ATOM 98 SG CYS A 7 -13.837 -4.183 -2.083 1.00 0.00 S ATOM 0 H CYS A 7 -14.343 -1.422 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.025 -3.158 -3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.569 -3.455 -4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.197 -2.173 -3.212 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.007 -3.577 -0.946 1.00 0.00 H new ATOM 104 N LYS A 8 -16.150 -2.152 -1.415 1.00 0.00 N ATOM 105 CA LYS A 8 -16.467 -1.468 -0.171 1.00 0.00 C ATOM 106 C LYS A 8 -15.205 -1.314 0.670 1.00 0.00 C ATOM 107 O LYS A 8 -14.325 -2.180 0.637 1.00 0.00 O ATOM 108 CB LYS A 8 -17.529 -2.246 0.613 1.00 0.00 C ATOM 109 CG LYS A 8 -18.963 -1.926 0.212 1.00 0.00 C ATOM 110 CD LYS A 8 -19.234 -2.212 -1.256 1.00 0.00 C ATOM 111 CE LYS A 8 -20.659 -1.845 -1.642 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.963 -0.411 -1.376 1.00 0.00 N ATOM 0 H LYS A 8 -16.317 -3.158 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.864 -0.480 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.355 -3.313 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.406 -2.036 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.648 -2.512 0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.169 -0.876 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.533 -1.650 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.062 -3.269 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.813 -2.057 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.357 -2.472 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.492 -0.014 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.535 -0.332 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.074 0.115 -1.253 1.00 0.00 H new ATOM 126 N PRO A 9 -15.094 -0.207 1.426 1.00 0.00 N ATOM 127 CA PRO A 9 -13.928 0.062 2.270 1.00 0.00 C ATOM 128 C PRO A 9 -13.739 -0.990 3.348 1.00 0.00 C ATOM 129 O PRO A 9 -14.700 -1.419 3.986 1.00 0.00 O ATOM 130 CB PRO A 9 -14.230 1.405 2.930 1.00 0.00 C ATOM 131 CG PRO A 9 -15.351 2.004 2.150 1.00 0.00 C ATOM 132 CD PRO A 9 -16.100 0.864 1.520 1.00 0.00 C ATOM 0 HA PRO A 9 -13.015 0.059 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.509 1.272 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.354 2.053 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.006 2.585 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.971 2.685 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.952 0.560 2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.489 1.135 0.539 1.00 0.00 H new ATOM 140 N MET A 10 -12.498 -1.400 3.542 1.00 0.00 N ATOM 141 CA MET A 10 -12.163 -2.302 4.628 1.00 0.00 C ATOM 142 C MET A 10 -12.120 -1.519 5.935 1.00 0.00 C ATOM 143 O MET A 10 -11.936 -0.301 5.926 1.00 0.00 O ATOM 144 CB MET A 10 -10.828 -3.001 4.357 1.00 0.00 C ATOM 145 CG MET A 10 -9.646 -2.064 4.224 1.00 0.00 C ATOM 146 SD MET A 10 -8.123 -2.935 3.809 1.00 0.00 S ATOM 147 CE MET A 10 -8.598 -3.764 2.291 1.00 0.00 C ATOM 0 H MET A 10 -11.706 -1.122 2.962 1.00 0.00 H new ATOM 0 HA MET A 10 -12.926 -3.076 4.706 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.629 -3.704 5.166 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.917 -3.586 3.441 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.859 -1.322 3.454 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.508 -1.522 5.160 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.708 -3.978 1.699 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.108 -4.697 2.530 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.268 -3.121 1.720 1.00 0.00 H new ATOM 157 N SER A 11 -12.299 -2.214 7.043 1.00 0.00 N ATOM 158 CA SER A 11 -12.458 -1.572 8.343 1.00 0.00 C ATOM 159 C SER A 11 -11.154 -0.965 8.870 1.00 0.00 C ATOM 160 O SER A 11 -10.096 -1.101 8.248 1.00 0.00 O ATOM 161 CB SER A 11 -13.014 -2.582 9.350 1.00 0.00 C ATOM 162 OG SER A 11 -12.162 -3.712 9.469 1.00 0.00 O ATOM 0 H SER A 11 -12.339 -3.233 7.072 1.00 0.00 H new ATOM 0 HA SER A 11 -13.158 -0.747 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.127 -2.104 10.323 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.007 -2.904 9.036 1.00 0.00 H new ATOM 0 HG SER A 11 -12.270 -4.287 8.683 1.00 0.00 H new ATOM 168 N TYR A 12 -11.244 -0.307 10.023 1.00 0.00 N ATOM 169 CA TYR A 12 -10.093 0.345 10.656 1.00 0.00 C ATOM 170 C TYR A 12 -8.966 -0.664 10.895 1.00 0.00 C ATOM 171 O TYR A 12 -7.796 -0.381 10.618 1.00 0.00 O ATOM 172 CB TYR A 12 -10.552 0.996 11.973 1.00 0.00 C ATOM 173 CG TYR A 12 -9.515 1.851 12.668 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.453 1.277 13.350 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.622 3.236 12.670 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.525 2.055 14.013 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.695 4.023 13.325 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.649 3.428 13.996 1.00 0.00 C ATOM 179 OH TYR A 12 -6.727 4.208 14.657 1.00 0.00 O ATOM 0 H TYR A 12 -12.114 -0.209 10.547 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.698 1.118 9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.428 1.611 11.769 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.868 0.209 12.658 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.350 0.202 13.363 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.444 3.706 12.150 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.706 1.590 14.542 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.790 5.099 13.311 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.958 5.154 14.545 1.00 0.00 H new ATOM 189 N GLU A 13 -9.333 -1.852 11.370 1.00 0.00 N ATOM 190 CA GLU A 13 -8.364 -2.907 11.661 1.00 0.00 C ATOM 191 C GLU A 13 -7.613 -3.316 10.397 1.00 0.00 C ATOM 192 O GLU A 13 -6.412 -3.590 10.429 1.00 0.00 O ATOM 193 CB GLU A 13 -9.075 -4.130 12.251 1.00 0.00 C ATOM 194 CG GLU A 13 -8.129 -5.219 12.728 1.00 0.00 C ATOM 195 CD GLU A 13 -8.872 -6.417 13.274 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.325 -6.360 14.435 1.00 0.00 O ATOM 197 OE2 GLU A 13 -9.017 -7.420 12.545 1.00 0.00 O ATOM 0 H GLU A 13 -10.301 -2.110 11.563 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.648 -2.519 12.386 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.696 -3.809 13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.745 -4.547 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.492 -5.534 11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.473 -4.817 13.500 1.00 0.00 H new ATOM 204 N GLU A 14 -8.330 -3.326 9.284 1.00 0.00 N ATOM 205 CA GLU A 14 -7.776 -3.784 8.017 1.00 0.00 C ATOM 206 C GLU A 14 -6.893 -2.711 7.391 1.00 0.00 C ATOM 207 O GLU A 14 -5.793 -3.000 6.925 1.00 0.00 O ATOM 208 CB GLU A 14 -8.906 -4.168 7.064 1.00 0.00 C ATOM 209 CG GLU A 14 -9.715 -5.369 7.526 1.00 0.00 C ATOM 210 CD GLU A 14 -11.004 -5.528 6.752 1.00 0.00 C ATOM 211 OE1 GLU A 14 -12.013 -4.897 7.137 1.00 0.00 O ATOM 212 OE2 GLU A 14 -11.020 -6.277 5.754 1.00 0.00 O ATOM 0 H GLU A 14 -9.302 -3.021 9.232 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.157 -4.661 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.574 -3.315 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.484 -4.382 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.115 -6.272 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.942 -5.264 8.587 1.00 0.00 H new ATOM 219 N LYS A 15 -7.380 -1.472 7.390 1.00 0.00 N ATOM 220 CA LYS A 15 -6.608 -0.338 6.898 1.00 0.00 C ATOM 221 C LYS A 15 -5.290 -0.211 7.660 1.00 0.00 C ATOM 222 O LYS A 15 -4.234 0.013 7.067 1.00 0.00 O ATOM 223 CB LYS A 15 -7.426 0.946 7.033 1.00 0.00 C ATOM 224 CG LYS A 15 -8.571 1.044 6.041 1.00 0.00 C ATOM 225 CD LYS A 15 -9.658 1.996 6.542 1.00 0.00 C ATOM 226 CE LYS A 15 -10.550 2.522 5.424 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.117 3.864 4.957 1.00 0.00 N ATOM 0 H LYS A 15 -8.312 -1.229 7.727 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.378 -0.503 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.827 1.007 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.766 1.803 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.194 1.393 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.998 0.055 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.274 1.480 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.189 2.838 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.534 1.824 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.580 2.575 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.559 4.071 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.406 4.583 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.082 3.879 4.855 1.00 0.00 H new ATOM 241 N ARG A 16 -5.362 -0.371 8.978 1.00 0.00 N ATOM 242 CA ARG A 16 -4.174 -0.337 9.827 1.00 0.00 C ATOM 243 C ARG A 16 -3.215 -1.462 9.456 1.00 0.00 C ATOM 244 O ARG A 16 -2.012 -1.247 9.313 1.00 0.00 O ATOM 245 CB ARG A 16 -4.566 -0.479 11.300 1.00 0.00 C ATOM 246 CG ARG A 16 -3.391 -0.371 12.261 1.00 0.00 C ATOM 247 CD ARG A 16 -3.561 -1.305 13.449 1.00 0.00 C ATOM 248 NE ARG A 16 -3.467 -2.713 13.050 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.176 -3.702 13.598 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.073 -3.447 14.544 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.991 -4.953 13.191 1.00 0.00 N ATOM 0 H ARG A 16 -6.234 -0.526 9.484 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.680 0.622 9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.298 0.290 11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.055 -1.442 11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.466 -0.611 11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.300 0.656 12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.798 -1.087 14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.528 -1.124 13.919 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.815 -2.953 12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.225 -2.488 14.858 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.610 -4.210 14.957 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.308 -5.156 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.532 -5.710 13.608 1.00 0.00 H new ATOM 265 N GLN A 17 -3.759 -2.662 9.298 1.00 0.00 N ATOM 266 CA GLN A 17 -2.962 -3.833 8.983 1.00 0.00 C ATOM 267 C GLN A 17 -2.336 -3.705 7.603 1.00 0.00 C ATOM 268 O GLN A 17 -1.277 -4.260 7.339 1.00 0.00 O ATOM 269 CB GLN A 17 -3.829 -5.089 9.061 1.00 0.00 C ATOM 270 CG GLN A 17 -3.029 -6.375 9.016 1.00 0.00 C ATOM 271 CD GLN A 17 -2.052 -6.484 10.168 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.294 -5.963 11.258 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.935 -7.149 9.932 1.00 0.00 N ATOM 0 H GLN A 17 -4.758 -2.847 9.385 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.157 -3.912 9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.411 -5.064 9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.540 -5.083 8.235 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.711 -7.225 9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.484 -6.428 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.773 -7.566 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.234 -7.246 10.667 1.00 0.00 H new ATOM 282 N LEU A 18 -2.992 -2.946 6.744 1.00 0.00 N ATOM 283 CA LEU A 18 -2.521 -2.725 5.384 1.00 0.00 C ATOM 284 C LEU A 18 -1.299 -1.814 5.396 1.00 0.00 C ATOM 285 O LEU A 18 -0.348 -2.001 4.647 1.00 0.00 O ATOM 286 CB LEU A 18 -3.645 -2.104 4.559 1.00 0.00 C ATOM 287 CG LEU A 18 -3.835 -2.650 3.141 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.124 -2.117 2.548 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.671 -2.280 2.243 1.00 0.00 C ATOM 0 H LEU A 18 -3.864 -2.466 6.966 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.233 -3.676 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.580 -2.236 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.465 -1.031 4.490 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.882 -3.737 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.251 -2.511 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.965 -2.428 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.084 -1.028 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.839 -2.684 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.586 -1.195 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.750 -2.695 2.652 1.00 0.00 H new ATOM 301 N SER A 19 -1.320 -0.822 6.263 1.00 0.00 N ATOM 302 CA SER A 19 -0.146 0.014 6.458 1.00 0.00 C ATOM 303 C SER A 19 1.015 -0.846 6.953 1.00 0.00 C ATOM 304 O SER A 19 2.177 -0.638 6.590 1.00 0.00 O ATOM 305 CB SER A 19 -0.448 1.121 7.468 1.00 0.00 C ATOM 306 OG SER A 19 -1.680 1.758 7.172 1.00 0.00 O ATOM 0 H SER A 19 -2.125 -0.574 6.839 1.00 0.00 H new ATOM 0 HA SER A 19 0.127 0.476 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.484 0.701 8.473 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.357 1.856 7.459 1.00 0.00 H new ATOM 0 HG SER A 19 -1.678 2.057 6.239 1.00 0.00 H new ATOM 312 N LEU A 20 0.669 -1.838 7.756 1.00 0.00 N ATOM 313 CA LEU A 20 1.640 -2.741 8.339 1.00 0.00 C ATOM 314 C LEU A 20 2.147 -3.759 7.319 1.00 0.00 C ATOM 315 O LEU A 20 3.308 -4.167 7.367 1.00 0.00 O ATOM 316 CB LEU A 20 1.013 -3.456 9.534 1.00 0.00 C ATOM 317 CG LEU A 20 0.658 -2.556 10.714 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.089 -3.356 11.758 1.00 0.00 C ATOM 319 CD2 LEU A 20 1.914 -1.954 11.317 1.00 0.00 C ATOM 0 H LEU A 20 -0.295 -2.038 8.021 1.00 0.00 H new ATOM 0 HA LEU A 20 2.498 -2.155 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.109 -3.964 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.702 -4.226 9.879 1.00 0.00 H new ATOM 0 HG LEU A 20 0.022 -1.745 10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.341 -2.711 12.599 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.004 -3.758 11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.539 -4.177 12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.644 -1.315 12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.570 -2.752 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.432 -1.362 10.563 1.00 0.00 H new ATOM 331 N ASP A 21 1.285 -4.150 6.385 1.00 0.00 N ATOM 332 CA ASP A 21 1.624 -5.200 5.434 1.00 0.00 C ATOM 333 C ASP A 21 2.483 -4.671 4.276 1.00 0.00 C ATOM 334 O ASP A 21 3.365 -5.379 3.775 1.00 0.00 O ATOM 335 CB ASP A 21 0.357 -5.944 4.952 1.00 0.00 C ATOM 336 CG ASP A 21 -0.656 -5.116 4.194 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.264 -4.262 3.393 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.869 -5.380 4.370 1.00 0.00 O ATOM 0 H ASP A 21 0.351 -3.757 6.268 1.00 0.00 H new ATOM 0 HA ASP A 21 2.242 -5.933 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.668 -6.772 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.137 -6.378 5.821 1.00 0.00 H new ATOM 343 N ILE A 22 2.270 -3.421 3.883 1.00 0.00 N ATOM 344 CA ILE A 22 3.107 -2.793 2.860 1.00 0.00 C ATOM 345 C ILE A 22 4.477 -2.472 3.433 1.00 0.00 C ATOM 346 O ILE A 22 5.494 -2.577 2.748 1.00 0.00 O ATOM 347 CB ILE A 22 2.458 -1.505 2.323 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.119 -1.834 1.672 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.362 -0.797 1.329 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.232 -0.633 1.530 1.00 0.00 C ATOM 0 H ILE A 22 1.531 -2.823 4.252 1.00 0.00 H new ATOM 0 HA ILE A 22 3.211 -3.496 2.034 1.00 0.00 H new ATOM 0 HB ILE A 22 2.299 -0.831 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.295 -2.268 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.607 -2.590 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.871 0.108 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.301 -0.532 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.564 -1.458 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.707 -0.927 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.029 -0.212 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.728 0.115 0.911 1.00 0.00 H new ATOM 362 N ASN A 23 4.492 -2.102 4.707 1.00 0.00 N ATOM 363 CA ASN A 23 5.730 -1.830 5.420 1.00 0.00 C ATOM 364 C ASN A 23 6.602 -3.092 5.495 1.00 0.00 C ATOM 365 O ASN A 23 7.816 -3.016 5.700 1.00 0.00 O ATOM 366 CB ASN A 23 5.402 -1.287 6.822 1.00 0.00 C ATOM 367 CG ASN A 23 6.559 -1.423 7.817 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.427 -0.554 7.889 1.00 0.00 O ATOM 369 ND2 ASN A 23 6.571 -2.493 8.610 1.00 0.00 N ATOM 0 H ASN A 23 3.651 -1.983 5.271 1.00 0.00 H new ATOM 0 HA ASN A 23 6.301 -1.075 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.126 -0.236 6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.533 -1.816 7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.313 -2.608 9.300 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.838 -3.197 8.527 1.00 0.00 H new ATOM 376 N LYS A 24 5.978 -4.252 5.302 1.00 0.00 N ATOM 377 CA LYS A 24 6.692 -5.524 5.312 1.00 0.00 C ATOM 378 C LYS A 24 7.464 -5.739 4.019 1.00 0.00 C ATOM 379 O LYS A 24 8.543 -6.334 4.025 1.00 0.00 O ATOM 380 CB LYS A 24 5.720 -6.683 5.517 1.00 0.00 C ATOM 381 CG LYS A 24 5.168 -6.766 6.925 1.00 0.00 C ATOM 382 CD LYS A 24 4.158 -7.888 7.059 1.00 0.00 C ATOM 383 CE LYS A 24 3.559 -7.926 8.454 1.00 0.00 C ATOM 384 NZ LYS A 24 4.594 -8.139 9.501 1.00 0.00 N ATOM 0 H LYS A 24 4.975 -4.336 5.136 1.00 0.00 H new ATOM 0 HA LYS A 24 7.401 -5.491 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.892 -6.581 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.226 -7.618 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.985 -6.924 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.699 -5.819 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.365 -7.756 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.639 -8.842 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.034 -6.991 8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.819 -8.724 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.132 -8.344 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.200 -8.940 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.175 -7.282 9.594 1.00 0.00 H new ATOM 398 N LEU A 25 6.906 -5.262 2.918 1.00 0.00 N ATOM 399 CA LEU A 25 7.521 -5.443 1.609 1.00 0.00 C ATOM 400 C LEU A 25 8.889 -4.771 1.538 1.00 0.00 C ATOM 401 O LEU A 25 9.024 -3.589 1.861 1.00 0.00 O ATOM 402 CB LEU A 25 6.627 -4.865 0.519 1.00 0.00 C ATOM 403 CG LEU A 25 5.215 -5.425 0.454 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.553 -4.993 -0.833 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.237 -6.928 0.557 1.00 0.00 C ATOM 0 H LEU A 25 6.027 -4.745 2.903 1.00 0.00 H new ATOM 0 HA LEU A 25 7.648 -6.514 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.563 -3.786 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.108 -5.031 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 25 4.642 -5.035 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.541 -5.397 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.511 -3.905 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.128 -5.366 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.218 -7.311 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.819 -7.341 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.690 -7.221 1.504 1.00 0.00 H new ATOM 417 N PRO A 26 9.928 -5.527 1.141 1.00 0.00 N ATOM 418 CA PRO A 26 11.254 -4.963 0.865 1.00 0.00 C ATOM 419 C PRO A 26 11.176 -3.864 -0.191 1.00 0.00 C ATOM 420 O PRO A 26 10.314 -3.922 -1.063 1.00 0.00 O ATOM 421 CB PRO A 26 12.053 -6.161 0.338 1.00 0.00 C ATOM 422 CG PRO A 26 11.355 -7.358 0.881 1.00 0.00 C ATOM 423 CD PRO A 26 9.899 -6.990 0.961 1.00 0.00 C ATOM 0 HA PRO A 26 11.704 -4.501 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.071 -6.175 -0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.089 -6.122 0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.504 -8.223 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.744 -7.624 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.362 -7.273 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.403 -7.488 1.794 1.00 0.00 H new ATOM 431 N GLY A 27 12.082 -2.887 -0.111 1.00 0.00 N ATOM 432 CA GLY A 27 12.015 -1.686 -0.944 1.00 0.00 C ATOM 433 C GLY A 27 11.672 -1.937 -2.406 1.00 0.00 C ATOM 434 O GLY A 27 10.913 -1.172 -3.004 1.00 0.00 O ATOM 0 H GLY A 27 12.877 -2.906 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.271 -1.010 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.976 -1.173 -0.894 1.00 0.00 H new ATOM 438 N GLU A 28 12.224 -3.001 -2.980 1.00 0.00 N ATOM 439 CA GLU A 28 11.956 -3.353 -4.373 1.00 0.00 C ATOM 440 C GLU A 28 10.469 -3.654 -4.583 1.00 0.00 C ATOM 441 O GLU A 28 9.814 -3.044 -5.430 1.00 0.00 O ATOM 442 CB GLU A 28 12.817 -4.567 -4.766 1.00 0.00 C ATOM 443 CG GLU A 28 12.501 -5.186 -6.116 1.00 0.00 C ATOM 444 CD GLU A 28 13.100 -6.568 -6.252 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.282 -6.671 -6.639 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.399 -7.556 -5.950 1.00 0.00 O ATOM 0 H GLU A 28 12.862 -3.637 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 28 12.215 -2.507 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.864 -4.264 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.704 -5.334 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.420 -5.243 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.884 -4.544 -6.909 1.00 0.00 H new ATOM 453 N LYS A 29 9.944 -4.590 -3.799 1.00 0.00 N ATOM 454 CA LYS A 29 8.529 -4.942 -3.839 1.00 0.00 C ATOM 455 C LYS A 29 7.676 -3.752 -3.408 1.00 0.00 C ATOM 456 O LYS A 29 6.610 -3.484 -3.964 1.00 0.00 O ATOM 457 CB LYS A 29 8.275 -6.123 -2.903 1.00 0.00 C ATOM 458 CG LYS A 29 8.925 -7.421 -3.352 1.00 0.00 C ATOM 459 CD LYS A 29 8.214 -8.018 -4.554 1.00 0.00 C ATOM 460 CE LYS A 29 8.752 -9.401 -4.896 1.00 0.00 C ATOM 461 NZ LYS A 29 8.700 -10.324 -3.730 1.00 0.00 N ATOM 0 H LYS A 29 10.486 -5.125 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 29 8.258 -5.216 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.642 -5.870 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.200 -6.279 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.970 -7.238 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.914 -8.137 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.145 -8.083 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.334 -7.358 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.173 -9.822 -5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.781 -9.314 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.540 -11.296 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.601 -10.280 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.923 -10.042 -3.098 1.00 0.00 H new ATOM 475 N LEU A 30 8.185 -3.042 -2.419 1.00 0.00 N ATOM 476 CA LEU A 30 7.515 -1.891 -1.837 1.00 0.00 C ATOM 477 C LEU A 30 7.281 -0.799 -2.875 1.00 0.00 C ATOM 478 O LEU A 30 6.226 -0.167 -2.874 1.00 0.00 O ATOM 479 CB LEU A 30 8.364 -1.370 -0.674 1.00 0.00 C ATOM 480 CG LEU A 30 7.819 -0.151 0.049 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.329 -0.293 0.289 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.559 0.032 1.369 1.00 0.00 C ATOM 0 H LEU A 30 9.087 -3.250 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 30 6.534 -2.192 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.486 -2.175 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.357 -1.130 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 30 7.976 0.730 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.958 0.591 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.815 -0.395 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.141 -1.177 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.167 0.907 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.417 -0.852 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.622 0.172 1.174 1.00 0.00 H new ATOM 494 N GLY A 31 8.253 -0.602 -3.769 1.00 0.00 N ATOM 495 CA GLY A 31 8.148 0.434 -4.792 1.00 0.00 C ATOM 496 C GLY A 31 6.861 0.349 -5.596 1.00 0.00 C ATOM 497 O GLY A 31 6.331 1.371 -6.036 1.00 0.00 O ATOM 0 H GLY A 31 9.116 -1.144 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.209 1.413 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.998 0.355 -5.469 1.00 0.00 H new ATOM 501 N ARG A 32 6.351 -0.866 -5.771 1.00 0.00 N ATOM 502 CA ARG A 32 5.096 -1.079 -6.483 1.00 0.00 C ATOM 503 C ARG A 32 3.949 -0.373 -5.773 1.00 0.00 C ATOM 504 O ARG A 32 3.170 0.339 -6.396 1.00 0.00 O ATOM 505 CB ARG A 32 4.785 -2.572 -6.576 1.00 0.00 C ATOM 506 CG ARG A 32 3.453 -2.891 -7.254 1.00 0.00 C ATOM 507 CD ARG A 32 3.485 -2.569 -8.740 1.00 0.00 C ATOM 508 NE ARG A 32 4.396 -3.452 -9.471 1.00 0.00 N ATOM 509 CZ ARG A 32 4.398 -3.587 -10.796 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.595 -2.838 -11.542 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.220 -4.457 -11.377 1.00 0.00 N ATOM 0 H ARG A 32 6.789 -1.721 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 32 5.204 -0.667 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.587 -3.066 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.779 -2.994 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.218 -3.946 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.656 -2.322 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.481 -2.661 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.793 -1.533 -8.880 1.00 0.00 H new ATOM 0 HE ARG A 32 5.070 -3.997 -8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.976 -2.158 -11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.597 -2.942 -12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.850 -5.022 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.220 -4.559 -12.392 1.00 0.00 H new ATOM 525 N VAL A 33 3.867 -0.565 -4.465 1.00 0.00 N ATOM 526 CA VAL A 33 2.741 -0.064 -3.682 1.00 0.00 C ATOM 527 C VAL A 33 2.760 1.452 -3.602 1.00 0.00 C ATOM 528 O VAL A 33 1.738 2.091 -3.837 1.00 0.00 O ATOM 529 CB VAL A 33 2.718 -0.655 -2.264 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.286 -0.878 -1.832 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.502 -1.953 -2.187 1.00 0.00 C ATOM 0 H VAL A 33 4.568 -1.066 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 33 1.836 -0.383 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 33 3.196 0.055 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.271 -1.297 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.752 0.072 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.802 -1.570 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.463 -2.342 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.067 -2.682 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.539 -1.769 -2.466 1.00 0.00 H new ATOM 541 N VAL A 34 3.921 2.022 -3.285 1.00 0.00 N ATOM 542 CA VAL A 34 4.088 3.482 -3.299 1.00 0.00 C ATOM 543 C VAL A 34 3.588 4.034 -4.628 1.00 0.00 C ATOM 544 O VAL A 34 2.918 5.067 -4.680 1.00 0.00 O ATOM 545 CB VAL A 34 5.573 3.908 -3.057 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.469 2.705 -3.014 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.088 4.887 -4.106 1.00 0.00 C ATOM 0 H VAL A 34 4.757 1.503 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 34 3.501 3.897 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 34 5.590 4.419 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.498 3.023 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.155 2.046 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.406 2.170 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.124 5.146 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.032 4.426 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.478 5.790 -4.092 1.00 0.00 H new ATOM 557 N HIS A 35 3.900 3.307 -5.689 1.00 0.00 N ATOM 558 CA HIS A 35 3.441 3.653 -7.028 1.00 0.00 C ATOM 559 C HIS A 35 1.921 3.489 -7.158 1.00 0.00 C ATOM 560 O HIS A 35 1.252 4.355 -7.718 1.00 0.00 O ATOM 561 CB HIS A 35 4.158 2.803 -8.080 1.00 0.00 C ATOM 562 CG HIS A 35 3.795 3.157 -9.492 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.306 4.257 -10.145 1.00 0.00 N ATOM 564 CD2 HIS A 35 2.952 2.563 -10.369 1.00 0.00 C ATOM 565 CE1 HIS A 35 3.795 4.325 -11.359 1.00 0.00 C ATOM 566 NE2 HIS A 35 2.970 3.308 -11.521 1.00 0.00 N ATOM 0 H HIS A 35 4.475 2.465 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 35 3.683 4.702 -7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.235 2.915 -7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.924 1.753 -7.907 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.373 1.668 -10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.014 5.084 -12.095 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.433 3.108 -12.365 1.00 0.00 H new ATOM 575 N ILE A 36 1.386 2.378 -6.643 1.00 0.00 N ATOM 576 CA ILE A 36 -0.051 2.105 -6.723 1.00 0.00 C ATOM 577 C ILE A 36 -0.858 3.228 -6.082 1.00 0.00 C ATOM 578 O ILE A 36 -1.772 3.771 -6.703 1.00 0.00 O ATOM 579 CB ILE A 36 -0.456 0.760 -6.060 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.306 -0.414 -6.686 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.961 0.544 -6.198 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.164 -1.779 -6.220 1.00 0.00 C ATOM 0 H ILE A 36 1.926 1.655 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.276 2.037 -7.787 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.195 0.807 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.209 -0.359 -7.770 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.366 -0.309 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.237 -0.401 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.492 1.360 -5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.230 0.519 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.426 -2.554 -6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.040 -1.857 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.216 -1.908 -6.475 1.00 0.00 H new ATOM 594 N ILE A 37 -0.511 3.589 -4.850 1.00 0.00 N ATOM 595 CA ILE A 37 -1.248 4.626 -4.136 1.00 0.00 C ATOM 596 C ILE A 37 -1.160 5.959 -4.870 1.00 0.00 C ATOM 597 O ILE A 37 -2.176 6.589 -5.134 1.00 0.00 O ATOM 598 CB ILE A 37 -0.763 4.823 -2.683 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.892 3.532 -1.877 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.588 5.912 -2.027 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.423 2.975 -1.386 1.00 0.00 C ATOM 0 H ILE A 37 0.267 3.184 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.282 4.283 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 37 0.289 5.107 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.539 3.716 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.385 2.780 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.250 6.056 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.469 6.843 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.639 5.622 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.243 2.059 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.067 2.757 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.910 3.707 -0.742 1.00 0.00 H new ATOM 613 N GLN A 38 0.054 6.372 -5.206 1.00 0.00 N ATOM 614 CA GLN A 38 0.275 7.633 -5.917 1.00 0.00 C ATOM 615 C GLN A 38 -0.496 7.681 -7.235 1.00 0.00 C ATOM 616 O GLN A 38 -0.975 8.740 -7.644 1.00 0.00 O ATOM 617 CB GLN A 38 1.770 7.852 -6.175 1.00 0.00 C ATOM 618 CG GLN A 38 2.561 8.219 -4.924 1.00 0.00 C ATOM 619 CD GLN A 38 3.585 9.305 -5.184 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.414 10.138 -6.074 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.652 9.314 -4.403 1.00 0.00 N ATOM 0 H GLN A 38 0.907 5.853 -4.999 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.098 8.435 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.192 6.945 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.890 8.643 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.873 8.551 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.066 7.331 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.758 8.606 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.369 10.029 -4.527 1.00 0.00 H new ATOM 630 N SER A 39 -0.616 6.537 -7.892 1.00 0.00 N ATOM 631 CA SER A 39 -1.338 6.454 -9.151 1.00 0.00 C ATOM 632 C SER A 39 -2.844 6.592 -8.929 1.00 0.00 C ATOM 633 O SER A 39 -3.512 7.373 -9.611 1.00 0.00 O ATOM 634 CB SER A 39 -1.011 5.132 -9.855 1.00 0.00 C ATOM 635 OG SER A 39 -1.723 4.996 -11.074 1.00 0.00 O ATOM 0 H SER A 39 -0.222 5.652 -7.573 1.00 0.00 H new ATOM 0 HA SER A 39 -1.020 7.279 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.060 5.080 -10.051 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.255 4.299 -9.196 1.00 0.00 H new ATOM 0 HG SER A 39 -1.489 4.143 -11.496 1.00 0.00 H new ATOM 641 N ARG A 40 -3.378 5.859 -7.957 1.00 0.00 N ATOM 642 CA ARG A 40 -4.818 5.848 -7.721 1.00 0.00 C ATOM 643 C ARG A 40 -5.269 7.095 -6.969 1.00 0.00 C ATOM 644 O ARG A 40 -6.367 7.605 -7.197 1.00 0.00 O ATOM 645 CB ARG A 40 -5.232 4.610 -6.934 1.00 0.00 C ATOM 646 CG ARG A 40 -4.714 3.305 -7.516 1.00 0.00 C ATOM 647 CD ARG A 40 -5.648 2.157 -7.219 1.00 0.00 C ATOM 648 NE ARG A 40 -6.882 2.224 -8.006 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.605 1.157 -8.355 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.282 -0.050 -7.903 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.661 1.301 -9.147 1.00 0.00 N ATOM 0 H ARG A 40 -2.839 5.268 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.301 5.833 -8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.873 4.707 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.320 4.569 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.595 3.409 -8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.728 3.088 -7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.139 1.215 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.896 2.159 -6.158 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.209 3.142 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.478 -0.165 -7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.838 -0.861 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.920 2.227 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.213 0.486 -9.414 1.00 0.00 H new ATOM 665 N GLU A 41 -4.427 7.571 -6.062 1.00 0.00 N ATOM 666 CA GLU A 41 -4.738 8.746 -5.261 1.00 0.00 C ATOM 667 C GLU A 41 -3.930 9.958 -5.717 1.00 0.00 C ATOM 668 O GLU A 41 -2.800 10.163 -5.268 1.00 0.00 O ATOM 669 CB GLU A 41 -4.447 8.482 -3.783 1.00 0.00 C ATOM 670 CG GLU A 41 -5.165 7.275 -3.211 1.00 0.00 C ATOM 671 CD GLU A 41 -6.654 7.301 -3.476 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.281 8.369 -3.309 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.200 6.256 -3.862 1.00 0.00 O ATOM 0 H GLU A 41 -3.516 7.157 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.799 8.957 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.373 8.346 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.727 9.364 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.740 6.368 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.992 7.231 -2.136 1.00 0.00 H new ATOM 680 N PRO A 42 -4.496 10.789 -6.608 1.00 0.00 N ATOM 681 CA PRO A 42 -3.843 12.020 -7.064 1.00 0.00 C ATOM 682 C PRO A 42 -3.589 12.998 -5.920 1.00 0.00 C ATOM 683 O PRO A 42 -2.703 13.845 -6.002 1.00 0.00 O ATOM 684 CB PRO A 42 -4.844 12.622 -8.055 1.00 0.00 C ATOM 685 CG PRO A 42 -5.720 11.488 -8.457 1.00 0.00 C ATOM 686 CD PRO A 42 -5.799 10.587 -7.260 1.00 0.00 C ATOM 0 HA PRO A 42 -2.864 11.816 -7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.422 13.423 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.335 13.052 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.710 11.842 -8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.307 10.961 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.625 10.859 -6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.950 9.546 -7.547 1.00 0.00 H new ATOM 694 N SER A 43 -4.358 12.856 -4.846 1.00 0.00 N ATOM 695 CA SER A 43 -4.291 13.769 -3.713 1.00 0.00 C ATOM 696 C SER A 43 -2.935 13.709 -3.002 1.00 0.00 C ATOM 697 O SER A 43 -2.571 14.633 -2.279 1.00 0.00 O ATOM 698 CB SER A 43 -5.414 13.439 -2.731 1.00 0.00 C ATOM 699 OG SER A 43 -6.664 13.374 -3.401 1.00 0.00 O ATOM 0 H SER A 43 -5.042 12.108 -4.737 1.00 0.00 H new ATOM 0 HA SER A 43 -4.411 14.784 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.208 12.487 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.454 14.197 -1.949 1.00 0.00 H new ATOM 0 HG SER A 43 -7.370 13.160 -2.756 1.00 0.00 H new ATOM 705 N LEU A 44 -2.188 12.631 -3.216 1.00 0.00 N ATOM 706 CA LEU A 44 -0.894 12.468 -2.562 1.00 0.00 C ATOM 707 C LEU A 44 0.217 12.222 -3.573 1.00 0.00 C ATOM 708 O LEU A 44 1.325 11.836 -3.203 1.00 0.00 O ATOM 709 CB LEU A 44 -0.953 11.333 -1.529 1.00 0.00 C ATOM 710 CG LEU A 44 -1.440 9.977 -2.042 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.282 9.153 -2.587 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.163 9.226 -0.935 1.00 0.00 C ATOM 0 H LEU A 44 -2.453 11.863 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.663 13.398 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.043 11.202 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.606 11.645 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.140 10.149 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.655 8.194 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.190 9.689 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.449 8.985 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.505 8.262 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.483 9.067 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.021 9.809 -0.600 1.00 0.00 H new ATOM 724 N LYS A 45 -0.065 12.476 -4.846 1.00 0.00 N ATOM 725 CA LYS A 45 0.934 12.267 -5.896 1.00 0.00 C ATOM 726 C LYS A 45 2.016 13.340 -5.821 1.00 0.00 C ATOM 727 O LYS A 45 3.041 13.266 -6.499 1.00 0.00 O ATOM 728 CB LYS A 45 0.286 12.267 -7.286 1.00 0.00 C ATOM 729 CG LYS A 45 -0.159 13.631 -7.769 1.00 0.00 C ATOM 730 CD LYS A 45 -0.963 13.504 -9.043 1.00 0.00 C ATOM 731 CE LYS A 45 -0.996 14.814 -9.801 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.727 14.696 -11.089 1.00 0.00 N ATOM 0 H LYS A 45 -0.965 12.823 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 45 1.391 11.291 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.995 11.854 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.577 11.601 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.759 14.118 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.711 14.264 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.531 12.727 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.980 13.193 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.470 15.577 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.024 15.147 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.725 15.616 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.260 13.986 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.708 14.403 -10.906 1.00 0.00 H new ATOM 746 N ASN A 46 1.771 14.338 -4.987 1.00 0.00 N ATOM 747 CA ASN A 46 2.720 15.415 -4.756 1.00 0.00 C ATOM 748 C ASN A 46 3.757 15.012 -3.716 1.00 0.00 C ATOM 749 O ASN A 46 4.683 15.766 -3.424 1.00 0.00 O ATOM 750 CB ASN A 46 1.972 16.667 -4.294 1.00 0.00 C ATOM 751 CG ASN A 46 0.921 16.345 -3.249 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.215 16.017 -3.586 1.00 0.00 O ATOM 753 ND2 ASN A 46 1.283 16.424 -1.982 1.00 0.00 N ATOM 0 H ASN A 46 0.908 14.424 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 46 3.241 15.626 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.683 17.384 -3.884 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.497 17.143 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.611 16.209 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.235 16.700 -1.740 1.00 0.00 H new ATOM 760 N SER A 47 3.595 13.823 -3.154 1.00 0.00 N ATOM 761 CA SER A 47 4.539 13.315 -2.175 1.00 0.00 C ATOM 762 C SER A 47 5.788 12.803 -2.890 1.00 0.00 C ATOM 763 O SER A 47 5.682 12.069 -3.876 1.00 0.00 O ATOM 764 CB SER A 47 3.893 12.191 -1.356 1.00 0.00 C ATOM 765 OG SER A 47 2.595 12.556 -0.918 1.00 0.00 O ATOM 0 H SER A 47 2.819 13.194 -3.360 1.00 0.00 H new ATOM 0 HA SER A 47 4.823 14.118 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.835 11.285 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.519 11.960 -0.494 1.00 0.00 H new ATOM 0 HG SER A 47 1.961 12.462 -1.659 1.00 0.00 H new ATOM 771 N ASN A 48 6.965 13.210 -2.412 1.00 0.00 N ATOM 772 CA ASN A 48 8.226 12.757 -2.997 1.00 0.00 C ATOM 773 C ASN A 48 8.273 11.239 -2.973 1.00 0.00 C ATOM 774 O ASN A 48 7.999 10.627 -1.944 1.00 0.00 O ATOM 775 CB ASN A 48 9.429 13.313 -2.223 1.00 0.00 C ATOM 776 CG ASN A 48 9.484 14.826 -2.205 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.013 15.494 -3.126 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.081 15.376 -1.162 1.00 0.00 N ATOM 0 H ASN A 48 7.070 13.850 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 48 8.279 13.122 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.393 12.946 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.347 12.929 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.165 16.391 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.458 14.786 -0.420 1.00 0.00 H new ATOM 785 N PRO A 49 8.611 10.606 -4.110 1.00 0.00 N ATOM 786 CA PRO A 49 8.564 9.148 -4.248 1.00 0.00 C ATOM 787 C PRO A 49 9.447 8.420 -3.245 1.00 0.00 C ATOM 788 O PRO A 49 9.232 7.245 -2.979 1.00 0.00 O ATOM 789 CB PRO A 49 9.047 8.885 -5.677 1.00 0.00 C ATOM 790 CG PRO A 49 9.739 10.138 -6.096 1.00 0.00 C ATOM 791 CD PRO A 49 9.063 11.257 -5.355 1.00 0.00 C ATOM 0 HA PRO A 49 7.559 8.774 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.724 8.031 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.211 8.657 -6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.801 10.096 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.663 10.283 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.749 12.080 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.228 11.669 -5.921 1.00 0.00 H new ATOM 799 N ASP A 50 10.424 9.115 -2.677 1.00 0.00 N ATOM 800 CA ASP A 50 11.303 8.512 -1.681 1.00 0.00 C ATOM 801 C ASP A 50 10.630 8.511 -0.304 1.00 0.00 C ATOM 802 O ASP A 50 10.789 7.571 0.476 1.00 0.00 O ATOM 803 CB ASP A 50 12.646 9.255 -1.611 1.00 0.00 C ATOM 804 CG ASP A 50 13.302 9.424 -2.965 1.00 0.00 C ATOM 805 OD1 ASP A 50 14.075 8.537 -3.377 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.058 10.461 -3.623 1.00 0.00 O ATOM 0 H ASP A 50 10.628 10.092 -2.887 1.00 0.00 H new ATOM 0 HA ASP A 50 11.496 7.482 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.488 10.237 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.322 8.710 -0.952 1.00 0.00 H new ATOM 811 N GLU A 51 9.829 9.542 -0.046 1.00 0.00 N ATOM 812 CA GLU A 51 9.170 9.740 1.243 1.00 0.00 C ATOM 813 C GLU A 51 7.689 10.012 1.008 1.00 0.00 C ATOM 814 O GLU A 51 7.256 11.165 1.058 1.00 0.00 O ATOM 815 CB GLU A 51 9.777 10.944 1.984 1.00 0.00 C ATOM 816 CG GLU A 51 10.974 10.612 2.853 1.00 0.00 C ATOM 817 CD GLU A 51 11.457 11.812 3.639 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.870 12.112 4.703 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.417 12.471 3.193 1.00 0.00 O ATOM 0 H GLU A 51 9.617 10.269 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 51 9.307 8.842 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.074 11.693 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.006 11.396 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.710 9.810 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.784 10.240 2.226 1.00 0.00 H new ATOM 826 N ILE A 52 6.908 8.979 0.731 1.00 0.00 N ATOM 827 CA ILE A 52 5.540 9.200 0.313 1.00 0.00 C ATOM 828 C ILE A 52 4.600 9.265 1.509 1.00 0.00 C ATOM 829 O ILE A 52 4.832 8.625 2.536 1.00 0.00 O ATOM 830 CB ILE A 52 5.067 8.137 -0.694 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.681 6.861 -0.008 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.167 7.834 -1.694 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.849 5.983 -0.899 1.00 0.00 C ATOM 0 H ILE A 52 7.193 8.001 0.787 1.00 0.00 H new ATOM 0 HA ILE A 52 5.515 10.165 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 52 4.194 8.543 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.580 6.324 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.124 7.090 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.819 7.080 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.429 8.744 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.045 7.459 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.589 5.068 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.938 6.510 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.416 5.733 -1.796 1.00 0.00 H new ATOM 845 N GLU A 53 3.550 10.050 1.359 1.00 0.00 N ATOM 846 CA GLU A 53 2.632 10.343 2.439 1.00 0.00 C ATOM 847 C GLU A 53 1.302 9.624 2.187 1.00 0.00 C ATOM 848 O GLU A 53 0.544 10.017 1.301 1.00 0.00 O ATOM 849 CB GLU A 53 2.415 11.861 2.459 1.00 0.00 C ATOM 850 CG GLU A 53 2.417 12.521 3.829 1.00 0.00 C ATOM 851 CD GLU A 53 1.486 11.876 4.825 1.00 0.00 C ATOM 852 OE1 GLU A 53 0.261 11.883 4.601 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.985 11.383 5.858 1.00 0.00 O ATOM 0 H GLU A 53 3.310 10.504 0.478 1.00 0.00 H new ATOM 0 HA GLU A 53 3.031 10.004 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.193 12.326 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.462 12.077 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.431 12.500 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.141 13.569 3.716 1.00 0.00 H new ATOM 860 N ILE A 54 1.022 8.575 2.948 1.00 0.00 N ATOM 861 CA ILE A 54 -0.230 7.831 2.775 1.00 0.00 C ATOM 862 C ILE A 54 -1.258 8.291 3.799 1.00 0.00 C ATOM 863 O ILE A 54 -0.940 8.418 4.984 1.00 0.00 O ATOM 864 CB ILE A 54 -0.072 6.302 2.960 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.102 5.724 2.169 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.354 5.601 2.545 1.00 0.00 C ATOM 867 CD1 ILE A 54 0.958 5.801 0.678 1.00 0.00 C ATOM 0 H ILE A 54 1.632 8.219 3.684 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.545 8.031 1.751 1.00 0.00 H new ATOM 0 HB ILE A 54 0.135 6.130 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.011 6.251 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.234 4.680 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.239 4.525 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.179 5.956 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.565 5.818 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.839 5.367 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.071 5.249 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.860 6.844 0.375 1.00 0.00 H new ATOM 879 N ASP A 55 -2.484 8.528 3.356 1.00 0.00 N ATOM 880 CA ASP A 55 -3.569 8.821 4.279 1.00 0.00 C ATOM 881 C ASP A 55 -4.654 7.770 4.111 1.00 0.00 C ATOM 882 O ASP A 55 -5.511 7.883 3.235 1.00 0.00 O ATOM 883 CB ASP A 55 -4.135 10.220 4.050 1.00 0.00 C ATOM 884 CG ASP A 55 -5.168 10.586 5.095 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.344 10.209 4.930 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.806 11.240 6.094 1.00 0.00 O ATOM 0 H ASP A 55 -2.751 8.523 2.371 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.183 8.794 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.324 10.948 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.586 10.272 3.059 1.00 0.00 H new ATOM 891 N PHE A 56 -4.616 6.745 4.952 1.00 0.00 N ATOM 892 CA PHE A 56 -5.427 5.553 4.739 1.00 0.00 C ATOM 893 C PHE A 56 -6.928 5.816 4.817 1.00 0.00 C ATOM 894 O PHE A 56 -7.725 4.970 4.409 1.00 0.00 O ATOM 895 CB PHE A 56 -5.017 4.452 5.709 1.00 0.00 C ATOM 896 CG PHE A 56 -4.192 3.400 5.036 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.839 3.586 4.816 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.782 2.240 4.589 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.094 2.623 4.158 1.00 0.00 C ATOM 900 CE2 PHE A 56 -4.048 1.276 3.938 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.702 1.463 3.718 1.00 0.00 C ATOM 0 H PHE A 56 -4.032 6.715 5.788 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.233 5.225 3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.451 4.886 6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.908 3.995 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.360 4.490 5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.838 2.084 4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.039 2.778 3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.529 0.370 3.599 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.125 0.708 3.205 1.00 0.00 H new ATOM 911 N GLU A 57 -7.318 6.978 5.312 1.00 0.00 N ATOM 912 CA GLU A 57 -8.725 7.324 5.398 1.00 0.00 C ATOM 913 C GLU A 57 -9.208 8.088 4.173 1.00 0.00 C ATOM 914 O GLU A 57 -10.394 8.399 4.061 1.00 0.00 O ATOM 915 CB GLU A 57 -8.983 8.117 6.669 1.00 0.00 C ATOM 916 CG GLU A 57 -8.915 7.249 7.909 1.00 0.00 C ATOM 917 CD GLU A 57 -10.035 6.231 7.953 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.972 5.239 7.201 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.993 6.427 8.730 1.00 0.00 O ATOM 0 H GLU A 57 -6.682 7.696 5.659 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.295 6.396 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.250 8.920 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.965 8.586 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.955 6.733 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.964 7.880 8.796 1.00 0.00 H new ATOM 926 N THR A 58 -8.306 8.374 3.250 1.00 0.00 N ATOM 927 CA THR A 58 -8.681 9.084 2.036 1.00 0.00 C ATOM 928 C THR A 58 -8.392 8.263 0.786 1.00 0.00 C ATOM 929 O THR A 58 -8.772 8.655 -0.319 1.00 0.00 O ATOM 930 CB THR A 58 -7.968 10.443 1.946 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.558 10.262 2.074 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.455 11.360 3.047 1.00 0.00 C ATOM 0 H THR A 58 -7.318 8.129 3.315 1.00 0.00 H new ATOM 0 HA THR A 58 -9.757 9.253 2.089 1.00 0.00 H new ATOM 0 HB THR A 58 -8.192 10.891 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.370 9.338 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.944 12.320 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.529 11.513 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.243 10.909 4.016 1.00 0.00 H new ATOM 940 N LEU A 59 -7.718 7.129 0.956 1.00 0.00 N ATOM 941 CA LEU A 59 -7.486 6.224 -0.169 1.00 0.00 C ATOM 942 C LEU A 59 -8.815 5.609 -0.583 1.00 0.00 C ATOM 943 O LEU A 59 -9.635 5.257 0.271 1.00 0.00 O ATOM 944 CB LEU A 59 -6.515 5.086 0.178 1.00 0.00 C ATOM 945 CG LEU A 59 -5.379 5.426 1.141 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.473 4.218 1.335 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.585 6.638 0.663 1.00 0.00 C ATOM 0 H LEU A 59 -7.328 6.817 1.845 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.041 6.810 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.091 4.266 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.077 4.717 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.818 5.688 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.668 4.474 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.052 3.391 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.049 3.923 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.785 6.852 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.155 6.428 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.247 7.501 0.592 1.00 0.00 H new ATOM 959 N LYS A 60 -9.033 5.494 -1.879 1.00 0.00 N ATOM 960 CA LYS A 60 -10.232 4.859 -2.401 1.00 0.00 C ATOM 961 C LYS A 60 -10.260 3.383 -2.000 1.00 0.00 C ATOM 962 O LYS A 60 -9.212 2.753 -1.843 1.00 0.00 O ATOM 963 CB LYS A 60 -10.256 5.006 -3.925 1.00 0.00 C ATOM 964 CG LYS A 60 -10.162 6.451 -4.393 1.00 0.00 C ATOM 965 CD LYS A 60 -10.133 6.559 -5.905 1.00 0.00 C ATOM 966 CE LYS A 60 -9.874 7.992 -6.336 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.564 8.496 -5.841 1.00 0.00 N ATOM 0 H LYS A 60 -8.392 5.834 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.115 5.342 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.428 4.439 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.175 4.566 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.012 7.013 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.263 6.908 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.357 5.907 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.082 6.216 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.898 8.053 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.673 8.633 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.420 9.471 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.556 8.478 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.800 7.891 -6.204 1.00 0.00 H new ATOM 981 N PRO A 61 -11.470 2.821 -1.808 1.00 0.00 N ATOM 982 CA PRO A 61 -11.644 1.420 -1.403 1.00 0.00 C ATOM 983 C PRO A 61 -11.002 0.455 -2.390 1.00 0.00 C ATOM 984 O PRO A 61 -10.573 -0.641 -2.020 1.00 0.00 O ATOM 985 CB PRO A 61 -13.162 1.217 -1.394 1.00 0.00 C ATOM 986 CG PRO A 61 -13.763 2.581 -1.352 1.00 0.00 C ATOM 987 CD PRO A 61 -12.759 3.518 -1.970 1.00 0.00 C ATOM 0 HA PRO A 61 -11.171 1.224 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.488 0.675 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.471 0.628 -0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.704 2.606 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.985 2.874 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.982 3.705 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.755 4.486 -1.468 1.00 0.00 H new ATOM 995 N SER A 62 -10.935 0.875 -3.642 1.00 0.00 N ATOM 996 CA SER A 62 -10.312 0.085 -4.685 1.00 0.00 C ATOM 997 C SER A 62 -8.797 0.110 -4.526 1.00 0.00 C ATOM 998 O SER A 62 -8.114 -0.879 -4.795 1.00 0.00 O ATOM 999 CB SER A 62 -10.722 0.633 -6.051 1.00 0.00 C ATOM 1000 OG SER A 62 -10.631 2.050 -6.073 1.00 0.00 O ATOM 0 H SER A 62 -11.309 1.769 -3.961 1.00 0.00 H new ATOM 0 HA SER A 62 -10.645 -0.950 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.081 0.211 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.742 0.326 -6.280 1.00 0.00 H new ATOM 0 HG SER A 62 -10.896 2.381 -6.956 1.00 0.00 H new ATOM 1006 N THR A 63 -8.282 1.245 -4.065 1.00 0.00 N ATOM 1007 CA THR A 63 -6.866 1.391 -3.794 1.00 0.00 C ATOM 1008 C THR A 63 -6.460 0.450 -2.673 1.00 0.00 C ATOM 1009 O THR A 63 -5.508 -0.309 -2.812 1.00 0.00 O ATOM 1010 CB THR A 63 -6.517 2.851 -3.424 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.246 3.731 -4.287 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.029 3.111 -3.590 1.00 0.00 C ATOM 0 H THR A 63 -8.834 2.081 -3.872 1.00 0.00 H new ATOM 0 HA THR A 63 -6.313 1.135 -4.697 1.00 0.00 H new ATOM 0 HB THR A 63 -6.785 3.025 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.978 4.657 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.808 4.145 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.468 2.441 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.742 2.934 -4.627 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.226 0.467 -1.588 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.977 -0.416 -0.452 1.00 0.00 C ATOM 1022 C LEU A 64 -6.967 -1.880 -0.879 1.00 0.00 C ATOM 1023 O LEU A 64 -6.117 -2.654 -0.452 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.040 -0.204 0.629 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.975 1.137 1.359 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.175 1.314 2.276 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.697 1.237 2.158 1.00 0.00 C ATOM 0 H LEU A 64 -8.029 1.085 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.995 -0.168 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.024 -0.301 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.950 -1.003 1.365 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.991 1.930 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.106 2.276 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.091 1.280 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.189 0.513 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.664 2.197 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.662 0.431 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.841 1.155 1.488 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.894 -2.248 -1.749 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.018 -3.636 -2.177 1.00 0.00 C ATOM 1041 C ARG A 65 -6.959 -3.985 -3.212 1.00 0.00 C ATOM 1042 O ARG A 65 -6.736 -5.156 -3.499 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.421 -3.911 -2.726 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.333 -4.689 -1.775 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.722 -6.009 -1.311 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.749 -6.925 -0.810 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.504 -8.155 -0.351 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.260 -8.579 -0.188 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.511 -8.949 -0.013 1.00 0.00 N ATOM 0 H ARG A 65 -8.569 -1.611 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.860 -4.271 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.896 -2.960 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.330 -4.468 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.553 -4.071 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.282 -4.889 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.188 -6.476 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.989 -5.817 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.716 -6.602 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.478 -7.964 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.084 -9.520 0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.472 -8.620 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.324 -9.888 0.338 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.310 -2.975 -3.775 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.208 -3.203 -4.685 1.00 0.00 C ATOM 1065 C GLU A 66 -3.906 -3.288 -3.901 1.00 0.00 C ATOM 1066 O GLU A 66 -3.042 -4.110 -4.196 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.159 -2.088 -5.728 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.985 -2.178 -6.685 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.031 -3.433 -7.527 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.795 -3.462 -8.514 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.317 -4.399 -7.205 1.00 0.00 O ATOM 0 H GLU A 66 -6.531 -1.992 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.351 -4.148 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.084 -2.105 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.121 -1.127 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.982 -1.305 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.054 -2.156 -6.119 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.797 -2.463 -2.868 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.627 -2.449 -2.017 1.00 0.00 C ATOM 1080 C LEU A 67 -2.552 -3.763 -1.256 1.00 0.00 C ATOM 1081 O LEU A 67 -1.543 -4.467 -1.286 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.728 -1.277 -1.032 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.945 0.094 -1.671 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.994 1.173 -0.602 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.860 0.394 -2.684 1.00 0.00 C ATOM 0 H LEU A 67 -4.516 -1.790 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.728 -2.329 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.549 -1.473 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.815 -1.243 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.901 0.081 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.149 2.144 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.815 0.967 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.053 1.183 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.036 1.375 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.889 0.387 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.874 -0.364 -3.467 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.665 -4.098 -0.621 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.769 -5.295 0.199 1.00 0.00 C ATOM 1099 C GLU A 68 -3.611 -6.563 -0.638 1.00 0.00 C ATOM 1100 O GLU A 68 -2.783 -7.421 -0.321 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.115 -5.316 0.917 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.361 -6.588 1.695 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.653 -7.257 1.293 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.760 -7.701 0.130 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.569 -7.351 2.134 1.00 0.00 O ATOM 0 H GLU A 68 -4.522 -3.547 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.962 -5.271 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.168 -4.466 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.911 -5.188 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.531 -7.277 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.387 -6.362 2.761 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.421 -6.688 -1.693 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.355 -7.859 -2.576 1.00 0.00 C ATOM 1114 C ARG A 69 -2.935 -8.095 -3.081 1.00 0.00 C ATOM 1115 O ARG A 69 -2.483 -9.237 -3.195 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.300 -7.709 -3.767 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.349 -8.945 -4.642 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.874 -8.626 -6.034 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.106 -7.562 -6.686 1.00 0.00 N ATOM 1120 CZ ARG A 69 -4.650 -7.627 -7.937 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -4.862 -8.707 -8.675 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -3.981 -6.607 -8.451 1.00 0.00 N ATOM 0 H ARG A 69 -5.126 -5.999 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.666 -8.720 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.303 -7.488 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.985 -6.857 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.351 -9.377 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.986 -9.696 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.839 -9.526 -6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.920 -8.327 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.908 -6.718 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.378 -9.497 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.510 -8.748 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.815 -5.772 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.632 -6.656 -9.408 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.228 -7.013 -3.351 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.884 -7.106 -3.894 1.00 0.00 C ATOM 1138 C TYR A 70 0.098 -7.589 -2.831 1.00 0.00 C ATOM 1139 O TYR A 70 0.834 -8.551 -3.048 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.435 -5.757 -4.470 1.00 0.00 C ATOM 1141 CG TYR A 70 1.045 -5.702 -4.767 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.575 -6.286 -5.910 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.914 -5.097 -3.873 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.933 -6.265 -6.154 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.274 -5.080 -4.105 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.780 -5.669 -5.247 1.00 0.00 C ATOM 1147 OH TYR A 70 5.137 -5.670 -5.476 1.00 0.00 O ATOM 0 H TYR A 70 -2.561 -6.060 -3.204 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.897 -7.836 -4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.991 -5.557 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.687 -4.965 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.915 -6.764 -6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.521 -4.632 -2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.330 -6.714 -7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.939 -4.608 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 70 5.556 -4.946 -4.965 1.00 0.00 H new ATOM 1157 N VAL A 71 0.097 -6.934 -1.679 1.00 0.00 N ATOM 1158 CA VAL A 71 1.046 -7.262 -0.626 1.00 0.00 C ATOM 1159 C VAL A 71 0.805 -8.658 -0.079 1.00 0.00 C ATOM 1160 O VAL A 71 1.749 -9.409 0.127 1.00 0.00 O ATOM 1161 CB VAL A 71 1.006 -6.243 0.525 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.303 -4.854 0.013 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.330 -6.264 1.236 1.00 0.00 C ATOM 0 H VAL A 71 -0.547 -6.176 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 71 2.036 -7.225 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 71 1.774 -6.526 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.270 -4.146 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.294 -4.837 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.559 -4.574 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.324 -5.532 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.122 -6.018 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.507 -7.257 1.648 1.00 0.00 H new ATOM 1173 N THR A 72 -0.459 -9.015 0.125 1.00 0.00 N ATOM 1174 CA THR A 72 -0.807 -10.328 0.655 1.00 0.00 C ATOM 1175 C THR A 72 -0.305 -11.427 -0.287 1.00 0.00 C ATOM 1176 O THR A 72 -0.023 -12.546 0.136 1.00 0.00 O ATOM 1177 CB THR A 72 -2.336 -10.453 0.882 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.609 -11.410 1.907 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.055 -10.875 -0.386 1.00 0.00 C ATOM 0 H THR A 72 -1.259 -8.413 -0.069 1.00 0.00 H new ATOM 0 HA THR A 72 -0.319 -10.447 1.622 1.00 0.00 H new ATOM 0 HB THR A 72 -2.700 -9.470 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.577 -11.478 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.124 -10.952 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.882 -10.134 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.676 -11.843 -0.715 1.00 0.00 H new ATOM 1187 N SER A 73 -0.158 -11.086 -1.561 1.00 0.00 N ATOM 1188 CA SER A 73 0.384 -12.008 -2.538 1.00 0.00 C ATOM 1189 C SER A 73 1.890 -12.195 -2.339 1.00 0.00 C ATOM 1190 O SER A 73 2.444 -13.244 -2.665 1.00 0.00 O ATOM 1191 CB SER A 73 0.083 -11.509 -3.937 1.00 0.00 C ATOM 1192 OG SER A 73 -1.315 -11.510 -4.195 1.00 0.00 O ATOM 0 H SER A 73 -0.409 -10.172 -1.938 1.00 0.00 H new ATOM 0 HA SER A 73 -0.090 -12.980 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.477 -10.500 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.590 -12.139 -4.667 1.00 0.00 H new ATOM 0 HG SER A 73 -1.713 -10.686 -3.844 1.00 0.00 H new ATOM 1198 N CYS A 74 2.544 -11.174 -1.793 1.00 0.00 N ATOM 1199 CA CYS A 74 3.977 -11.228 -1.532 1.00 0.00 C ATOM 1200 C CYS A 74 4.259 -11.780 -0.132 1.00 0.00 C ATOM 1201 O CYS A 74 5.001 -12.748 0.020 1.00 0.00 O ATOM 1202 CB CYS A 74 4.605 -9.837 -1.698 1.00 0.00 C ATOM 1203 SG CYS A 74 6.399 -9.804 -1.463 1.00 0.00 S ATOM 0 H CYS A 74 2.101 -10.296 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 74 4.429 -11.903 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.373 -9.462 -2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.143 -9.154 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 74 6.863 -8.646 -1.829 1.00 0.00 H new ATOM 1209 N LEU A 75 3.670 -11.149 0.881 1.00 0.00 N ATOM 1210 CA LEU A 75 3.831 -11.561 2.275 1.00 0.00 C ATOM 1211 C LEU A 75 3.597 -13.053 2.462 1.00 0.00 C ATOM 1212 O LEU A 75 4.453 -13.761 2.984 1.00 0.00 O ATOM 1213 CB LEU A 75 2.843 -10.809 3.163 1.00 0.00 C ATOM 1214 CG LEU A 75 2.663 -9.344 2.826 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.458 -8.781 3.537 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.912 -8.581 3.189 1.00 0.00 C ATOM 0 H LEU A 75 3.066 -10.336 0.759 1.00 0.00 H new ATOM 0 HA LEU A 75 4.858 -11.329 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.873 -11.302 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.175 -10.890 4.198 1.00 0.00 H new ATOM 0 HG LEU A 75 2.493 -9.243 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.345 -7.727 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.566 -9.326 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.591 -8.882 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.778 -7.527 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.104 -8.685 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.757 -8.979 2.628 1.00 0.00 H new ATOM 1228 N ARG A 76 2.438 -13.528 2.019 1.00 0.00 N ATOM 1229 CA ARG A 76 2.011 -14.883 2.329 1.00 0.00 C ATOM 1230 C ARG A 76 2.713 -15.920 1.466 1.00 0.00 C ATOM 1231 O ARG A 76 2.518 -17.121 1.646 1.00 0.00 O ATOM 1232 CB ARG A 76 0.503 -15.004 2.162 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.253 -13.858 2.777 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.724 -14.110 2.737 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.103 -15.339 3.432 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.219 -16.023 3.182 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.068 -15.602 2.254 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.485 -17.130 3.861 1.00 0.00 N ATOM 0 H ARG A 76 1.782 -12.996 1.447 1.00 0.00 H new ATOM 0 HA ARG A 76 2.285 -15.081 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.265 -15.060 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.167 -15.937 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.068 -13.717 3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.023 -12.936 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.246 -13.266 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.051 -14.169 1.699 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.475 -15.695 4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.868 -14.751 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.921 -16.129 2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.835 -17.459 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.339 -17.653 3.669 1.00 0.00 H new ATOM 1252 N LYS A 77 3.535 -15.459 0.540 1.00 0.00 N ATOM 1253 CA LYS A 77 4.219 -16.357 -0.382 1.00 0.00 C ATOM 1254 C LYS A 77 5.721 -16.103 -0.407 1.00 0.00 C ATOM 1255 O LYS A 77 6.185 -15.117 -0.981 1.00 0.00 O ATOM 1256 CB LYS A 77 3.636 -16.224 -1.785 1.00 0.00 C ATOM 1257 CG LYS A 77 2.296 -16.917 -1.934 1.00 0.00 C ATOM 1258 CD LYS A 77 1.622 -16.569 -3.251 1.00 0.00 C ATOM 1259 CE LYS A 77 0.307 -17.312 -3.422 1.00 0.00 C ATOM 1260 NZ LYS A 77 -0.681 -16.948 -2.373 1.00 0.00 N ATOM 0 H LYS A 77 3.747 -14.471 0.404 1.00 0.00 H new ATOM 0 HA LYS A 77 4.062 -17.375 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.522 -15.167 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.338 -16.642 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.436 -17.996 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.646 -16.632 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.442 -15.495 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.289 -16.814 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.109 -17.090 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.491 -18.386 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.607 -17.357 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.365 -17.320 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.763 -15.913 -2.318 1.00 0.00 H new ATOM 1274 N LYS A 78 6.477 -16.996 0.215 1.00 0.00 N ATOM 1275 CA LYS A 78 7.928 -16.901 0.213 1.00 0.00 C ATOM 1276 C LYS A 78 8.515 -17.727 -0.928 1.00 0.00 C ATOM 1277 O LYS A 78 7.784 -18.411 -1.646 1.00 0.00 O ATOM 1278 CB LYS A 78 8.516 -17.391 1.538 1.00 0.00 C ATOM 1279 CG LYS A 78 8.635 -16.327 2.618 1.00 0.00 C ATOM 1280 CD LYS A 78 7.283 -15.856 3.117 1.00 0.00 C ATOM 1281 CE LYS A 78 7.437 -14.921 4.305 1.00 0.00 C ATOM 1282 NZ LYS A 78 6.129 -14.549 4.903 1.00 0.00 N ATOM 0 H LYS A 78 6.108 -17.796 0.729 1.00 0.00 H new ATOM 0 HA LYS A 78 8.187 -15.851 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.895 -18.204 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.505 -17.807 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.209 -16.725 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.191 -15.476 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.753 -15.345 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.677 -16.716 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.058 -15.399 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.959 -14.018 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.186 -13.585 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.390 -14.586 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.894 -15.215 5.667 1.00 0.00 H new ATOM 1296 N ARG A 79 9.836 -17.656 -1.079 1.00 0.00 N ATOM 1297 CA ARG A 79 10.569 -18.475 -2.048 1.00 0.00 C ATOM 1298 C ARG A 79 10.076 -18.264 -3.476 1.00 0.00 C ATOM 1299 O ARG A 79 9.945 -19.219 -4.246 1.00 0.00 O ATOM 1300 CB ARG A 79 10.490 -19.965 -1.695 1.00 0.00 C ATOM 1301 CG ARG A 79 11.426 -20.402 -0.574 1.00 0.00 C ATOM 1302 CD ARG A 79 10.996 -19.876 0.786 1.00 0.00 C ATOM 1303 NE ARG A 79 11.847 -20.383 1.863 1.00 0.00 N ATOM 1304 CZ ARG A 79 11.545 -20.308 3.159 1.00 0.00 C ATOM 1305 NH1 ARG A 79 10.401 -19.758 3.552 1.00 0.00 N ATOM 1306 NH2 ARG A 79 12.387 -20.791 4.063 1.00 0.00 N ATOM 0 H ARG A 79 10.430 -17.030 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 79 11.608 -18.149 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.466 -20.203 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.716 -20.549 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.465 -21.491 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.435 -20.053 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.029 -18.787 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.962 -20.163 0.975 1.00 0.00 H new ATOM 0 HE ARG A 79 12.730 -20.823 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.748 -19.390 2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.176 -19.704 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.264 -21.219 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.158 -20.734 5.055 1.00 0.00 H new ATOM 1320 N LYS A 80 9.815 -17.018 -3.831 1.00 0.00 N ATOM 1321 CA LYS A 80 9.403 -16.688 -5.189 1.00 0.00 C ATOM 1322 C LYS A 80 9.777 -15.245 -5.546 1.00 0.00 C ATOM 1323 O LYS A 80 8.909 -14.391 -5.740 1.00 0.00 O ATOM 1324 CB LYS A 80 7.896 -16.915 -5.376 1.00 0.00 C ATOM 1325 CG LYS A 80 7.015 -16.119 -4.421 1.00 0.00 C ATOM 1326 CD LYS A 80 5.562 -16.111 -4.873 1.00 0.00 C ATOM 1327 CE LYS A 80 5.412 -15.550 -6.283 1.00 0.00 C ATOM 1328 NZ LYS A 80 6.062 -14.220 -6.433 1.00 0.00 N ATOM 0 H LYS A 80 9.880 -16.218 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 80 9.937 -17.354 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.627 -16.656 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.682 -17.976 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.083 -16.547 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.382 -15.095 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.166 -17.126 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.969 -15.515 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.848 -16.248 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.353 -15.464 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.848 -13.833 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.702 -13.573 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.091 -14.323 -6.327 1.00 0.00 H new ATOM 1342 N PRO A 81 11.082 -14.952 -5.642 1.00 0.00 N ATOM 1343 CA PRO A 81 11.557 -13.616 -6.000 1.00 0.00 C ATOM 1344 C PRO A 81 11.347 -13.313 -7.480 1.00 0.00 C ATOM 1345 O PRO A 81 11.495 -14.190 -8.337 1.00 0.00 O ATOM 1346 CB PRO A 81 13.047 -13.674 -5.667 1.00 0.00 C ATOM 1347 CG PRO A 81 13.411 -15.108 -5.827 1.00 0.00 C ATOM 1348 CD PRO A 81 12.196 -15.893 -5.415 1.00 0.00 C ATOM 0 HA PRO A 81 11.021 -12.829 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.628 -13.040 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.240 -13.327 -4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.686 -15.328 -6.859 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.270 -15.364 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.083 -16.799 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.253 -16.202 -4.371 1.00 0.00 H new ATOM 1356 N GLN A 82 10.992 -12.072 -7.771 1.00 0.00 N ATOM 1357 CA GLN A 82 10.778 -11.634 -9.142 1.00 0.00 C ATOM 1358 C GLN A 82 12.103 -11.187 -9.747 1.00 0.00 C ATOM 1359 O GLN A 82 12.263 -11.135 -10.970 1.00 0.00 O ATOM 1360 CB GLN A 82 9.756 -10.492 -9.171 1.00 0.00 C ATOM 1361 CG GLN A 82 9.376 -10.026 -10.567 1.00 0.00 C ATOM 1362 CD GLN A 82 8.788 -11.134 -11.416 1.00 0.00 C ATOM 1363 OE1 GLN A 82 8.166 -12.065 -10.904 1.00 0.00 O ATOM 1364 NE2 GLN A 82 8.974 -11.038 -12.720 1.00 0.00 N ATOM 0 H GLN A 82 10.845 -11.345 -7.071 1.00 0.00 H new ATOM 0 HA GLN A 82 10.385 -12.462 -9.733 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.854 -10.814 -8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.159 -9.645 -8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.655 -9.212 -10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 82 10.259 -9.624 -11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.496 -10.250 -13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.596 -11.752 -13.343 1.00 0.00 H new ATOM 1373 N ALA A 83 13.048 -10.874 -8.874 1.00 0.00 N ATOM 1374 CA ALA A 83 14.386 -10.490 -9.283 1.00 0.00 C ATOM 1375 C ALA A 83 15.418 -11.142 -8.371 1.00 0.00 C ATOM 1376 O ALA A 83 15.962 -12.201 -8.747 1.00 0.00 O ATOM 1377 CB ALA A 83 14.534 -8.977 -9.267 1.00 0.00 C ATOM 1378 OXT ALA A 83 15.666 -10.606 -7.269 1.00 0.00 O ATOM 0 H ALA A 83 12.907 -10.880 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 83 14.555 -10.836 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.544 -8.707 -9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.813 -8.534 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.351 -8.604 -8.259 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -4.738 9.569 11.646 1.00 0.00 N ATOM 1386 CA GLU B 201 -4.458 8.444 12.568 1.00 0.00 C ATOM 1387 C GLU B 201 -3.705 7.334 11.842 1.00 0.00 C ATOM 1388 O GLU B 201 -2.534 7.079 12.124 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.751 7.881 13.178 1.00 0.00 C ATOM 1390 CG GLU B 201 -6.515 8.867 14.054 1.00 0.00 C ATOM 1391 CD GLU B 201 -7.246 9.925 13.255 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -6.630 10.963 12.931 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -8.433 9.722 12.938 1.00 0.00 O ATOM 0 HA GLU B 201 -3.839 8.830 13.377 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -6.404 7.549 12.371 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -5.505 7.001 13.772 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -7.233 8.321 14.665 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -5.819 9.352 14.738 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.379 6.680 10.902 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.774 5.593 10.141 1.00 0.00 C ATOM 1404 C ILE B 202 -2.975 6.154 8.975 1.00 0.00 C ATOM 1405 O ILE B 202 -3.538 6.556 7.954 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.832 4.605 9.604 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.755 4.145 10.733 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -4.158 3.406 8.951 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -5.019 3.514 11.896 1.00 0.00 C ATOM 0 H ILE B 202 -5.346 6.884 10.649 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.116 5.050 10.820 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.432 5.118 8.852 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -6.326 5.000 11.096 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -6.473 3.428 10.335 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -4.918 2.720 8.578 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -3.537 3.745 8.122 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -3.536 2.894 9.685 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.736 3.212 12.659 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -4.470 2.639 11.547 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -4.321 4.236 12.320 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.666 6.194 9.139 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.795 6.777 8.136 1.00 0.00 C ATOM 1423 C LYS B 203 0.298 5.797 7.744 1.00 0.00 C ATOM 1424 O LYS B 203 0.471 4.757 8.383 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.178 8.072 8.664 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.210 9.099 9.103 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.571 10.433 9.445 1.00 0.00 C ATOM 1428 CE LYS B 203 0.132 11.039 8.244 1.00 0.00 C ATOM 1429 NZ LYS B 203 0.647 12.400 8.532 1.00 0.00 N ATOM 0 H LYS B 203 -1.182 5.829 9.959 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.389 7.004 7.251 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.472 7.838 9.507 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.451 8.509 7.888 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.942 9.240 8.308 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.751 8.722 9.971 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -1.335 11.121 9.806 1.00 0.00 H new ATOM 0 HD3 LYS B 203 0.144 10.297 10.256 1.00 0.00 H new ATOM 0 HE2 LYS B 203 0.958 10.394 7.944 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -0.560 11.083 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 1.120 12.778 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -0.144 13.022 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 1.327 12.355 9.318 1.00 0.00 H new ATOM 1443 N LEU B 204 1.033 6.136 6.699 1.00 0.00 N ATOM 1444 CA LEU B 204 2.095 5.280 6.203 1.00 0.00 C ATOM 1445 C LEU B 204 3.120 6.106 5.433 1.00 0.00 C ATOM 1446 O LEU B 204 2.973 6.335 4.237 1.00 0.00 O ATOM 1447 CB LEU B 204 1.519 4.208 5.271 1.00 0.00 C ATOM 1448 CG LEU B 204 2.208 2.836 5.299 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.762 2.004 4.107 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.722 2.969 5.314 1.00 0.00 C ATOM 0 H LEU B 204 0.912 7.003 6.176 1.00 0.00 H new ATOM 0 HA LEU B 204 2.577 4.802 7.056 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.467 4.067 5.521 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.556 4.588 4.250 1.00 0.00 H new ATOM 0 HG LEU B 204 1.913 2.332 6.219 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.256 1.033 4.136 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.682 1.863 4.146 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.028 2.519 3.184 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.174 1.977 5.334 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.050 3.499 4.420 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.030 3.526 6.199 1.00 0.00 H new ATOM 1462 N LYS B 205 4.150 6.566 6.107 1.00 0.00 N ATOM 1463 CA LYS B 205 5.257 7.200 5.415 1.00 0.00 C ATOM 1464 C LYS B 205 6.127 6.140 4.756 1.00 0.00 C ATOM 1465 O LYS B 205 7.209 5.824 5.256 1.00 0.00 O ATOM 1466 CB LYS B 205 6.102 8.043 6.373 1.00 0.00 C ATOM 1467 CG LYS B 205 5.604 9.466 6.562 1.00 0.00 C ATOM 1468 CD LYS B 205 5.623 10.244 5.255 1.00 0.00 C ATOM 1469 CE LYS B 205 5.625 11.744 5.495 1.00 0.00 C ATOM 1470 NZ LYS B 205 4.558 12.166 6.445 1.00 0.00 N ATOM 0 H LYS B 205 4.247 6.516 7.121 1.00 0.00 H new ATOM 0 HA LYS B 205 4.846 7.863 4.653 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.130 7.549 7.344 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.126 8.076 6.002 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.590 9.447 6.960 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.226 9.975 7.298 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.506 9.966 4.679 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.753 9.972 4.657 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.597 12.046 5.886 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.489 12.262 4.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 4.334 13.170 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.705 11.592 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.889 12.031 7.422 1.00 0.00 H new ATOM 1484 N ILE B 206 5.647 5.565 3.651 1.00 0.00 N ATOM 1485 CA ILE B 206 6.424 4.559 2.943 1.00 0.00 C ATOM 1486 C ILE B 206 7.714 5.190 2.436 1.00 0.00 C ATOM 1487 O ILE B 206 7.712 5.913 1.435 1.00 0.00 O ATOM 1488 CB ILE B 206 5.698 3.926 1.728 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.254 3.550 2.020 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.417 2.668 1.331 1.00 0.00 C ATOM 1491 CD1 ILE B 206 3.553 2.900 0.842 1.00 0.00 C ATOM 0 H ILE B 206 4.739 5.777 3.237 1.00 0.00 H new ATOM 0 HA ILE B 206 6.602 3.761 3.664 1.00 0.00 H new ATOM 0 HB ILE B 206 5.701 4.677 0.938 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.228 2.869 2.870 1.00 0.00 H new ATOM 0 HG13 ILE B 206 3.705 4.445 2.312 1.00 0.00 H new ATOM 0 HG21 ILE B 206 5.914 2.215 0.477 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.446 2.907 1.061 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.414 1.968 2.167 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.527 2.657 1.118 1.00 0.00 H new ATOM 0 HD12 ILE B 206 3.548 3.588 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.080 1.987 0.564 1.00 0.00 H new ATOM 1503 N THR B 207 8.804 4.934 3.129 1.00 0.00 N ATOM 1504 CA THR B 207 10.085 5.499 2.763 1.00 0.00 C ATOM 1505 C THR B 207 10.966 4.417 2.151 1.00 0.00 C ATOM 1506 O THR B 207 11.282 3.427 2.806 1.00 0.00 O ATOM 1507 CB THR B 207 10.772 6.123 3.994 1.00 0.00 C ATOM 1508 OG1 THR B 207 9.803 6.846 4.772 1.00 0.00 O ATOM 1509 CG2 THR B 207 11.882 7.072 3.579 1.00 0.00 C ATOM 0 H THR B 207 8.827 4.334 3.954 1.00 0.00 H new ATOM 0 HA THR B 207 9.928 6.287 2.027 1.00 0.00 H new ATOM 0 HB THR B 207 11.205 5.317 4.586 1.00 0.00 H new ATOM 0 HG1 THR B 207 9.034 6.267 4.957 1.00 0.00 H new ATOM 0 HG21 THR B 207 12.349 7.497 4.468 1.00 0.00 H new ATOM 0 HG22 THR B 207 12.629 6.527 3.002 1.00 0.00 H new ATOM 0 HG23 THR B 207 11.466 7.874 2.969 1.00 0.00 H new ATOM 1517 N LYS B 208 11.329 4.592 0.879 1.00 0.00 N ATOM 1518 CA LYS B 208 12.082 3.570 0.153 1.00 0.00 C ATOM 1519 C LYS B 208 12.587 4.105 -1.187 1.00 0.00 C ATOM 1520 O LYS B 208 12.856 5.300 -1.311 1.00 0.00 O ATOM 1521 CB LYS B 208 11.243 2.283 -0.044 1.00 0.00 C ATOM 1522 CG LYS B 208 10.101 2.357 -1.068 1.00 0.00 C ATOM 1523 CD LYS B 208 9.045 3.376 -0.705 1.00 0.00 C ATOM 1524 CE LYS B 208 9.260 4.662 -1.472 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.257 5.687 -1.123 1.00 0.00 N ATOM 0 H LYS B 208 11.115 5.427 0.334 1.00 0.00 H new ATOM 0 HA LYS B 208 12.950 3.310 0.759 1.00 0.00 H new ATOM 0 HB2 LYS B 208 11.917 1.480 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.819 2.002 0.920 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.514 2.603 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.635 1.375 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.055 2.976 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.077 3.575 0.366 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.259 5.046 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS B 208 9.214 4.458 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.544 6.603 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.332 5.414 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.188 5.767 -0.088 1.00 0.00 H new ATOM 1539 N THR B 209 12.732 3.201 -2.164 1.00 0.00 N ATOM 1540 CA THR B 209 13.200 3.525 -3.516 1.00 0.00 C ATOM 1541 C THR B 209 14.583 4.168 -3.491 1.00 0.00 C ATOM 1542 O THR B 209 14.846 5.151 -4.183 1.00 0.00 O ATOM 1543 CB THR B 209 12.198 4.402 -4.324 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.817 5.577 -3.599 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.947 3.612 -4.681 1.00 0.00 C ATOM 0 H THR B 209 12.525 2.211 -2.035 1.00 0.00 H new ATOM 0 HA THR B 209 13.270 2.571 -4.039 1.00 0.00 H new ATOM 0 HB THR B 209 12.711 4.704 -5.237 1.00 0.00 H new ATOM 0 HG1 THR B 209 12.468 5.747 -2.886 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.264 4.247 -5.245 1.00 0.00 H new ATOM 0 HG22 THR B 209 11.222 2.748 -5.286 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.457 3.274 -3.768 1.00 0.00 H new ATOM 1553 N ILE B 210 15.460 3.597 -2.676 1.00 0.00 N ATOM 1554 CA ILE B 210 16.844 4.041 -2.597 1.00 0.00 C ATOM 1555 C ILE B 210 17.779 2.904 -3.011 1.00 0.00 C ATOM 1556 O ILE B 210 18.830 3.122 -3.618 1.00 0.00 O ATOM 1557 CB ILE B 210 17.195 4.540 -1.171 1.00 0.00 C ATOM 1558 CG1 ILE B 210 18.671 4.943 -1.083 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.859 3.479 -0.130 1.00 0.00 C ATOM 1560 CD1 ILE B 210 19.066 5.518 0.262 1.00 0.00 C ATOM 0 H ILE B 210 15.234 2.819 -2.056 1.00 0.00 H new ATOM 0 HA ILE B 210 16.974 4.879 -3.282 1.00 0.00 H new ATOM 0 HB ILE B 210 16.591 5.423 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE B 210 19.290 4.070 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE B 210 18.885 5.678 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE B 210 17.113 3.850 0.863 1.00 0.00 H new ATOM 0 HG22 ILE B 210 15.793 3.253 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE B 210 17.430 2.574 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE B 210 20.124 5.780 0.249 1.00 0.00 H new ATOM 0 HD12 ILE B 210 18.474 6.410 0.464 1.00 0.00 H new ATOM 0 HD13 ILE B 210 18.885 4.778 1.041 1.00 0.00 H new ATOM 1572 N GLN B 211 17.367 1.683 -2.700 1.00 0.00 N ATOM 1573 CA GLN B 211 18.104 0.493 -3.094 1.00 0.00 C ATOM 1574 C GLN B 211 17.367 -0.187 -4.248 1.00 0.00 C ATOM 1575 O GLN B 211 17.647 -1.330 -4.616 1.00 0.00 O ATOM 1576 CB GLN B 211 18.252 -0.446 -1.888 1.00 0.00 C ATOM 1577 CG GLN B 211 19.217 -1.603 -2.098 1.00 0.00 C ATOM 1578 CD GLN B 211 20.618 -1.144 -2.448 1.00 0.00 C ATOM 1579 OE1 GLN B 211 20.961 -0.997 -3.619 1.00 0.00 O ATOM 1580 NE2 GLN B 211 21.434 -0.910 -1.434 1.00 0.00 N ATOM 0 H GLN B 211 16.517 1.491 -2.170 1.00 0.00 H new ATOM 0 HA GLN B 211 19.105 0.760 -3.432 1.00 0.00 H new ATOM 0 HB2 GLN B 211 18.586 0.137 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN B 211 17.271 -0.850 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN B 211 19.254 -2.208 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN B 211 18.840 -2.244 -2.895 1.00 0.00 H new ATOM 0 HE21 GLN B 211 21.109 -1.045 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN B 211 22.388 -0.595 -1.609 1.00 0.00 H new ATOM 1589 N ASN B 212 16.407 0.541 -4.807 1.00 0.00 N ATOM 1590 CA ASN B 212 15.631 0.073 -5.945 1.00 0.00 C ATOM 1591 C ASN B 212 15.022 1.264 -6.675 1.00 0.00 C ATOM 1592 O ASN B 212 15.572 1.665 -7.719 1.00 0.00 O ATOM 1593 CB ASN B 212 14.532 -0.901 -5.503 1.00 0.00 C ATOM 1594 CG ASN B 212 13.669 -1.372 -6.661 1.00 0.00 C ATOM 1595 OD1 ASN B 212 12.613 -0.808 -6.936 1.00 0.00 O ATOM 1596 ND2 ASN B 212 14.114 -2.411 -7.352 1.00 0.00 N ATOM 1597 OXT ASN B 212 14.025 1.825 -6.181 1.00 0.00 O ATOM 0 H ASN B 212 16.146 1.472 -4.483 1.00 0.00 H new ATOM 0 HA ASN B 212 16.297 -0.462 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN B 212 14.990 -1.765 -5.021 1.00 0.00 H new ATOM 0 HB3 ASN B 212 13.901 -0.417 -4.758 1.00 0.00 H new ATOM 0 HD21 ASN B 212 13.575 -2.767 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN B 212 14.996 -2.855 -7.095 1.00 0.00 H new TER 1604 ASN B 212