USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 62 ASN : amide:sc= -0.283 K(o=-0.29,f=-1.8!) USER MOD Set 1.2: A 65 ASN : amide:sc=-0.00777 X(o=-0.29,f=-0.27) USER MOD Set 2.1: A 41 SER OG : rot 71:sc= 0.385 USER MOD Set 2.2: A 45 GLN :FLIP amide:sc= -5.81! C(o=-11!,f=-5.4!) USER MOD Single : A 1 LEU N :NH3+ 162:sc= -6.16! (180deg=-6.94!) USER MOD Single : A 2 ASN : amide:sc= -0.254 K(o=-0.25,f=-7.3!) USER MOD Single : A 5 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.0094) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -134:sc= -2.32 (180deg=-3.34!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0988 USER MOD Single : A 16 TYR OH : rot -176:sc= 0.787 USER MOD Single : A 18 GLN : amide:sc= -0.428 K(o=-0.43,f=-3.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -2.81! C(o=-4.5!,f=-2.8!) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.955 F(o=-4.2!,f=-0.96) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.0652 X(o=0.065,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.054 X(o=-0.054,f=-0.22) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.501 F(o=-2.7!,f=-0.5) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00613 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 80 THR OG1 : rot 134:sc= 0.0609 USER MOD Single : A 82 SER OG : rot 140:sc= -0.556 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.597 13.724 5.425 1.00 0.00 N ATOM 2 CA LEU A 1 5.058 12.476 6.037 1.00 0.00 C ATOM 3 C LEU A 1 6.216 11.591 6.503 1.00 0.00 C ATOM 4 O LEU A 1 7.364 11.987 6.469 1.00 0.00 O ATOM 5 CB LEU A 1 4.180 11.708 5.028 1.00 0.00 C ATOM 6 CG LEU A 1 4.851 11.595 3.645 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.849 12.954 2.939 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.291 11.087 3.785 1.00 0.00 C ATOM 0 H1 LEU A 1 4.859 14.174 4.846 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.895 14.379 6.176 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.414 13.492 4.825 1.00 0.00 H new ATOM 0 HA LEU A 1 4.440 12.745 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.974 10.709 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.220 12.214 4.925 1.00 0.00 H new ATOM 0 HG LEU A 1 4.282 10.882 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.326 12.858 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.822 13.295 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.398 13.678 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.748 11.014 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.864 11.781 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.286 10.104 4.256 1.00 0.00 H new ATOM 22 N ASN A 2 5.928 10.394 6.939 1.00 0.00 N ATOM 23 CA ASN A 2 7.020 9.492 7.405 1.00 0.00 C ATOM 24 C ASN A 2 6.553 8.036 7.345 1.00 0.00 C ATOM 25 O ASN A 2 5.482 7.733 6.856 1.00 0.00 O ATOM 26 CB ASN A 2 7.393 9.844 8.846 1.00 0.00 C ATOM 27 CG ASN A 2 6.143 9.793 9.725 1.00 0.00 C ATOM 28 OD1 ASN A 2 5.872 8.793 10.359 1.00 0.00 O ATOM 29 ND2 ASN A 2 5.363 10.837 9.790 1.00 0.00 N ATOM 0 H ASN A 2 4.987 10.003 6.992 1.00 0.00 H new ATOM 0 HA ASN A 2 7.889 9.619 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.142 9.146 9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.837 10.839 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.526 10.813 10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.590 11.677 9.258 1.00 0.00 H new ATOM 36 N CYS A 3 7.353 7.133 7.844 1.00 0.00 N ATOM 37 CA CYS A 3 6.969 5.692 7.825 1.00 0.00 C ATOM 38 C CYS A 3 6.058 5.398 9.020 1.00 0.00 C ATOM 39 O CYS A 3 5.189 4.557 8.958 1.00 0.00 O ATOM 40 CB CYS A 3 8.236 4.838 7.921 1.00 0.00 C ATOM 41 SG CYS A 3 8.035 3.299 6.985 1.00 0.00 S ATOM 0 H CYS A 3 8.260 7.332 8.266 1.00 0.00 H new ATOM 0 HA CYS A 3 6.440 5.458 6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.089 5.397 7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.450 4.610 8.965 1.00 0.00 H new ATOM 46 N GLY A 4 6.248 6.086 10.111 1.00 0.00 N ATOM 47 CA GLY A 4 5.391 5.838 11.306 1.00 0.00 C ATOM 48 C GLY A 4 3.911 5.883 10.908 1.00 0.00 C ATOM 49 O GLY A 4 3.211 4.891 10.970 1.00 0.00 O ATOM 0 H GLY A 4 6.958 6.809 10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.630 4.867 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.593 6.588 12.071 1.00 0.00 H new ATOM 53 N GLN A 5 3.427 7.028 10.508 1.00 0.00 N ATOM 54 CA GLN A 5 1.990 7.139 10.117 1.00 0.00 C ATOM 55 C GLN A 5 1.665 6.126 9.017 1.00 0.00 C ATOM 56 O GLN A 5 0.849 5.241 9.199 1.00 0.00 O ATOM 57 CB GLN A 5 1.713 8.552 9.601 1.00 0.00 C ATOM 58 CG GLN A 5 0.218 8.856 9.720 1.00 0.00 C ATOM 59 CD GLN A 5 0.001 9.941 10.776 1.00 0.00 C ATOM 60 OE1 GLN A 5 -0.719 10.892 10.547 1.00 0.00 O ATOM 61 NE2 GLN A 5 0.599 9.839 11.931 1.00 0.00 N ATOM 0 H GLN A 5 3.964 7.892 10.435 1.00 0.00 H new ATOM 0 HA GLN A 5 1.367 6.934 10.987 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.289 9.279 10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.031 8.640 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.175 9.186 8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.327 7.953 9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.204 9.040 12.123 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.462 10.558 12.642 1.00 0.00 H new ATOM 70 N VAL A 6 2.292 6.254 7.877 1.00 0.00 N ATOM 71 CA VAL A 6 2.019 5.305 6.759 1.00 0.00 C ATOM 72 C VAL A 6 1.885 3.887 7.315 1.00 0.00 C ATOM 73 O VAL A 6 1.142 3.072 6.802 1.00 0.00 O ATOM 74 CB VAL A 6 3.178 5.349 5.762 1.00 0.00 C ATOM 75 CG1 VAL A 6 2.945 4.316 4.659 1.00 0.00 C ATOM 76 CG2 VAL A 6 3.263 6.745 5.140 1.00 0.00 C ATOM 0 H VAL A 6 2.982 6.976 7.672 1.00 0.00 H new ATOM 0 HA VAL A 6 1.093 5.590 6.259 1.00 0.00 H new ATOM 0 HB VAL A 6 4.110 5.123 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.772 4.349 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.884 3.321 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.013 4.541 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.089 6.777 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.330 6.970 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.430 7.483 5.924 1.00 0.00 H new ATOM 86 N ASP A 7 2.595 3.591 8.366 1.00 0.00 N ATOM 87 CA ASP A 7 2.511 2.234 8.959 1.00 0.00 C ATOM 88 C ASP A 7 1.175 2.099 9.698 1.00 0.00 C ATOM 89 O ASP A 7 0.349 1.295 9.343 1.00 0.00 O ATOM 90 CB ASP A 7 3.713 2.024 9.909 1.00 0.00 C ATOM 91 CG ASP A 7 3.261 1.723 11.345 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.468 0.811 11.517 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.716 2.410 12.245 1.00 0.00 O ATOM 0 H ASP A 7 3.231 4.233 8.839 1.00 0.00 H new ATOM 0 HA ASP A 7 2.553 1.467 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.327 1.202 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.339 2.916 9.905 1.00 0.00 H new ATOM 98 N SER A 8 0.963 2.880 10.721 1.00 0.00 N ATOM 99 CA SER A 8 -0.316 2.789 11.487 1.00 0.00 C ATOM 100 C SER A 8 -1.520 2.821 10.536 1.00 0.00 C ATOM 101 O SER A 8 -2.610 2.422 10.895 1.00 0.00 O ATOM 102 CB SER A 8 -0.406 3.968 12.456 1.00 0.00 C ATOM 103 OG SER A 8 -1.448 3.728 13.393 1.00 0.00 O ATOM 0 H SER A 8 1.622 3.580 11.062 1.00 0.00 H new ATOM 0 HA SER A 8 -0.330 1.848 12.037 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.543 4.099 12.976 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.600 4.890 11.908 1.00 0.00 H new ATOM 0 HG SER A 8 -1.507 4.482 14.017 1.00 0.00 H new ATOM 109 N LYS A 9 -1.343 3.303 9.337 1.00 0.00 N ATOM 110 CA LYS A 9 -2.488 3.369 8.385 1.00 0.00 C ATOM 111 C LYS A 9 -2.473 2.165 7.437 1.00 0.00 C ATOM 112 O LYS A 9 -3.507 1.734 6.969 1.00 0.00 O ATOM 113 CB LYS A 9 -2.393 4.656 7.563 1.00 0.00 C ATOM 114 CG LYS A 9 -2.426 5.866 8.496 1.00 0.00 C ATOM 115 CD LYS A 9 -3.580 6.788 8.098 1.00 0.00 C ATOM 116 CE LYS A 9 -4.191 7.411 9.354 1.00 0.00 C ATOM 117 NZ LYS A 9 -3.876 8.867 9.388 1.00 0.00 N ATOM 0 H LYS A 9 -0.456 3.654 8.975 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.416 3.357 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.472 4.659 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.220 4.708 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.548 5.539 9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.481 6.406 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.221 7.570 7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.338 6.225 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.271 7.261 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.797 6.922 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.291 9.292 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.844 8.999 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.272 9.328 8.544 1.00 0.00 H new ATOM 131 N MET A 10 -1.322 1.624 7.128 1.00 0.00 N ATOM 132 CA MET A 10 -1.297 0.461 6.191 1.00 0.00 C ATOM 133 C MET A 10 -1.211 -0.857 6.965 1.00 0.00 C ATOM 134 O MET A 10 -1.288 -1.929 6.399 1.00 0.00 O ATOM 135 CB MET A 10 -0.126 0.603 5.209 1.00 0.00 C ATOM 136 CG MET A 10 -0.280 1.857 4.313 1.00 0.00 C ATOM 137 SD MET A 10 -1.955 2.564 4.380 1.00 0.00 S ATOM 138 CE MET A 10 -2.670 1.586 3.036 1.00 0.00 C ATOM 0 H MET A 10 -0.414 1.930 7.477 1.00 0.00 H new ATOM 0 HA MET A 10 -2.226 0.449 5.620 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.810 0.665 5.765 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.066 -0.287 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.442 2.612 4.624 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.042 1.594 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.240 2.238 2.375 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.871 1.105 2.471 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.330 0.825 3.451 1.00 0.00 H new ATOM 148 N LYS A 11 -1.110 -0.782 8.258 1.00 0.00 N ATOM 149 CA LYS A 11 -1.086 -2.011 9.076 1.00 0.00 C ATOM 150 C LYS A 11 -2.530 -2.466 9.407 1.00 0.00 C ATOM 151 O LYS A 11 -2.733 -3.630 9.674 1.00 0.00 O ATOM 152 CB LYS A 11 -0.276 -1.814 10.369 1.00 0.00 C ATOM 153 CG LYS A 11 -0.524 -0.432 10.974 1.00 0.00 C ATOM 154 CD LYS A 11 -1.145 -0.582 12.364 1.00 0.00 C ATOM 155 CE LYS A 11 -2.462 -1.351 12.260 1.00 0.00 C ATOM 156 NZ LYS A 11 -2.975 -1.643 13.630 1.00 0.00 N ATOM 0 H LYS A 11 -1.043 0.089 8.785 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.594 -2.789 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.547 -2.584 11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.786 -1.936 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.414 0.120 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.187 0.144 10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.457 -1.108 13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.320 0.400 12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.194 -0.767 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.311 -2.280 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.871 -2.166 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.278 -2.217 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.134 -0.750 14.139 1.00 0.00 H new ATOM 170 N PRO A 12 -3.518 -1.574 9.350 1.00 0.00 N ATOM 171 CA PRO A 12 -4.908 -1.968 9.608 1.00 0.00 C ATOM 172 C PRO A 12 -5.448 -2.629 8.334 1.00 0.00 C ATOM 173 O PRO A 12 -6.553 -3.131 8.290 1.00 0.00 O ATOM 174 CB PRO A 12 -5.621 -0.643 9.904 1.00 0.00 C ATOM 175 CG PRO A 12 -4.762 0.468 9.259 1.00 0.00 C ATOM 176 CD PRO A 12 -3.372 -0.135 9.029 1.00 0.00 C ATOM 0 HA PRO A 12 -5.039 -2.675 10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.629 -0.644 9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.717 -0.485 10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.201 0.801 8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.704 1.340 9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.046 0.008 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.626 0.338 9.668 1.00 0.00 H new ATOM 184 N CYS A 13 -4.644 -2.628 7.298 1.00 0.00 N ATOM 185 CA CYS A 13 -5.043 -3.244 6.006 1.00 0.00 C ATOM 186 C CYS A 13 -4.696 -4.736 6.033 1.00 0.00 C ATOM 187 O CYS A 13 -4.915 -5.458 5.074 1.00 0.00 O ATOM 188 CB CYS A 13 -4.254 -2.552 4.887 1.00 0.00 C ATOM 189 SG CYS A 13 -4.961 -0.917 4.572 1.00 0.00 S ATOM 0 H CYS A 13 -3.711 -2.216 7.300 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.114 -3.129 5.839 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.206 -2.458 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.285 -3.155 3.979 1.00 0.00 H new ATOM 194 N LEU A 14 -4.149 -5.205 7.124 1.00 0.00 N ATOM 195 CA LEU A 14 -3.781 -6.637 7.211 1.00 0.00 C ATOM 196 C LEU A 14 -5.014 -7.508 6.972 1.00 0.00 C ATOM 197 O LEU A 14 -5.102 -8.206 5.988 1.00 0.00 O ATOM 198 CB LEU A 14 -3.210 -6.915 8.591 1.00 0.00 C ATOM 199 CG LEU A 14 -1.896 -6.141 8.816 1.00 0.00 C ATOM 200 CD1 LEU A 14 -0.755 -7.130 9.045 1.00 0.00 C ATOM 201 CD2 LEU A 14 -1.531 -5.222 7.631 1.00 0.00 C ATOM 0 H LEU A 14 -3.943 -4.652 7.956 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.036 -6.872 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.937 -6.632 9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.030 -7.984 8.704 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.046 -5.507 9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.174 -6.583 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.972 -7.739 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.652 -7.775 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.597 -4.703 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.413 -5.822 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.325 -4.491 7.479 1.00 0.00 H new ATOM 213 N THR A 15 -5.968 -7.479 7.863 1.00 0.00 N ATOM 214 CA THR A 15 -7.190 -8.313 7.681 1.00 0.00 C ATOM 215 C THR A 15 -7.626 -8.320 6.212 1.00 0.00 C ATOM 216 O THR A 15 -8.266 -9.242 5.755 1.00 0.00 O ATOM 217 CB THR A 15 -8.324 -7.760 8.540 1.00 0.00 C ATOM 218 OG1 THR A 15 -7.843 -6.679 9.328 1.00 0.00 O ATOM 219 CG2 THR A 15 -8.842 -8.870 9.448 1.00 0.00 C ATOM 0 H THR A 15 -5.953 -6.912 8.711 1.00 0.00 H new ATOM 0 HA THR A 15 -6.959 -9.334 7.986 1.00 0.00 H new ATOM 0 HB THR A 15 -9.131 -7.401 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.573 -6.324 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.653 -8.485 10.066 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.210 -9.696 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.034 -9.223 10.088 1.00 0.00 H new ATOM 227 N TYR A 16 -7.296 -7.306 5.465 1.00 0.00 N ATOM 228 CA TYR A 16 -7.709 -7.288 4.035 1.00 0.00 C ATOM 229 C TYR A 16 -6.737 -8.140 3.204 1.00 0.00 C ATOM 230 O TYR A 16 -7.130 -9.097 2.565 1.00 0.00 O ATOM 231 CB TYR A 16 -7.710 -5.839 3.520 1.00 0.00 C ATOM 232 CG TYR A 16 -7.583 -5.827 2.012 1.00 0.00 C ATOM 233 CD1 TYR A 16 -8.723 -5.949 1.209 1.00 0.00 C ATOM 234 CD2 TYR A 16 -6.320 -5.708 1.423 1.00 0.00 C ATOM 235 CE1 TYR A 16 -8.598 -5.950 -0.186 1.00 0.00 C ATOM 236 CE2 TYR A 16 -6.194 -5.710 0.029 1.00 0.00 C ATOM 237 CZ TYR A 16 -7.334 -5.830 -0.776 1.00 0.00 C ATOM 238 OH TYR A 16 -7.213 -5.830 -2.150 1.00 0.00 O ATOM 0 H TYR A 16 -6.763 -6.495 5.778 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.713 -7.703 3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.630 -5.338 3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.885 -5.284 3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.698 -6.042 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.441 -5.615 2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.477 -6.043 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.219 -5.619 -0.426 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.265 -5.798 -2.395 1.00 0.00 H new ATOM 248 N VAL A 17 -5.480 -7.784 3.186 1.00 0.00 N ATOM 249 CA VAL A 17 -4.494 -8.556 2.368 1.00 0.00 C ATOM 250 C VAL A 17 -4.350 -9.997 2.879 1.00 0.00 C ATOM 251 O VAL A 17 -4.396 -10.941 2.114 1.00 0.00 O ATOM 252 CB VAL A 17 -3.131 -7.860 2.423 1.00 0.00 C ATOM 253 CG1 VAL A 17 -3.265 -6.426 1.910 1.00 0.00 C ATOM 254 CG2 VAL A 17 -2.621 -7.834 3.867 1.00 0.00 C ATOM 0 H VAL A 17 -5.092 -6.994 3.701 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.858 -8.592 1.341 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.426 -8.408 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.294 -5.933 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.623 -6.440 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.974 -5.881 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.651 -7.338 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.329 -7.291 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.520 -8.855 4.236 1.00 0.00 H new ATOM 264 N GLN A 18 -4.147 -10.177 4.155 1.00 0.00 N ATOM 265 CA GLN A 18 -3.969 -11.554 4.700 1.00 0.00 C ATOM 266 C GLN A 18 -5.312 -12.147 5.136 1.00 0.00 C ATOM 267 O GLN A 18 -5.364 -13.225 5.695 1.00 0.00 O ATOM 268 CB GLN A 18 -3.043 -11.480 5.910 1.00 0.00 C ATOM 269 CG GLN A 18 -3.722 -10.667 7.012 1.00 0.00 C ATOM 270 CD GLN A 18 -3.721 -11.463 8.315 1.00 0.00 C ATOM 271 OE1 GLN A 18 -3.380 -12.629 8.332 1.00 0.00 O ATOM 272 NE2 GLN A 18 -4.094 -10.875 9.416 1.00 0.00 N ATOM 0 H GLN A 18 -4.096 -9.428 4.846 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.545 -12.191 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.814 -12.483 6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.096 -11.018 5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.200 -9.720 7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.745 -10.427 6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.380 -9.896 9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.100 -11.394 10.294 1.00 0.00 H new ATOM 281 N GLY A 19 -6.396 -11.465 4.899 1.00 0.00 N ATOM 282 CA GLY A 19 -7.715 -12.018 5.319 1.00 0.00 C ATOM 283 C GLY A 19 -8.544 -12.378 4.087 1.00 0.00 C ATOM 284 O GLY A 19 -8.982 -13.500 3.933 1.00 0.00 O ATOM 0 H GLY A 19 -6.428 -10.556 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.568 -12.902 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.249 -11.287 5.926 1.00 0.00 H new ATOM 288 N GLY A 20 -8.769 -11.440 3.208 1.00 0.00 N ATOM 289 CA GLY A 20 -9.575 -11.753 1.996 1.00 0.00 C ATOM 290 C GLY A 20 -10.756 -10.784 1.877 1.00 0.00 C ATOM 291 O GLY A 20 -10.984 -10.223 0.824 1.00 0.00 O ATOM 0 H GLY A 20 -8.433 -10.479 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.948 -11.684 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.941 -12.778 2.049 1.00 0.00 H new ATOM 295 N PRO A 21 -11.485 -10.625 2.954 1.00 0.00 N ATOM 296 CA PRO A 21 -12.659 -9.738 2.983 1.00 0.00 C ATOM 297 C PRO A 21 -12.224 -8.276 3.117 1.00 0.00 C ATOM 298 O PRO A 21 -11.643 -7.878 4.108 1.00 0.00 O ATOM 299 CB PRO A 21 -13.431 -10.205 4.220 1.00 0.00 C ATOM 300 CG PRO A 21 -12.408 -10.925 5.131 1.00 0.00 C ATOM 301 CD PRO A 21 -11.210 -11.306 4.239 1.00 0.00 C ATOM 0 HA PRO A 21 -13.259 -9.787 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.883 -9.359 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.242 -10.878 3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.092 -10.275 5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.851 -11.812 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.268 -10.972 4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.137 -12.386 4.110 1.00 0.00 H new ATOM 309 N GLY A 22 -12.500 -7.475 2.124 1.00 0.00 N ATOM 310 CA GLY A 22 -12.104 -6.040 2.188 1.00 0.00 C ATOM 311 C GLY A 22 -11.826 -5.521 0.773 1.00 0.00 C ATOM 312 O GLY A 22 -12.192 -6.150 -0.199 1.00 0.00 O ATOM 0 H GLY A 22 -12.983 -7.753 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.897 -5.454 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.216 -5.924 2.810 1.00 0.00 H new ATOM 316 N PRO A 23 -11.185 -4.382 0.705 1.00 0.00 N ATOM 317 CA PRO A 23 -10.748 -3.632 1.895 1.00 0.00 C ATOM 318 C PRO A 23 -11.922 -2.859 2.502 1.00 0.00 C ATOM 319 O PRO A 23 -13.040 -2.935 2.029 1.00 0.00 O ATOM 320 CB PRO A 23 -9.693 -2.670 1.345 1.00 0.00 C ATOM 321 CG PRO A 23 -9.982 -2.521 -0.168 1.00 0.00 C ATOM 322 CD PRO A 23 -10.836 -3.737 -0.577 1.00 0.00 C ATOM 0 HA PRO A 23 -10.364 -4.274 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.749 -1.704 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.689 -3.059 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.512 -1.590 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.054 -2.491 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.727 -3.431 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.280 -4.414 -1.225 1.00 0.00 H new ATOM 330 N SER A 24 -11.676 -2.110 3.542 1.00 0.00 N ATOM 331 CA SER A 24 -12.774 -1.328 4.175 1.00 0.00 C ATOM 332 C SER A 24 -12.917 0.014 3.454 1.00 0.00 C ATOM 333 O SER A 24 -13.569 0.921 3.933 1.00 0.00 O ATOM 334 CB SER A 24 -12.444 -1.083 5.647 1.00 0.00 C ATOM 335 OG SER A 24 -12.802 -2.231 6.405 1.00 0.00 O ATOM 0 H SER A 24 -10.761 -2.006 3.981 1.00 0.00 H new ATOM 0 HA SER A 24 -13.708 -1.885 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.381 -0.873 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.983 -0.209 6.012 1.00 0.00 H new ATOM 0 HG SER A 24 -12.590 -2.078 7.350 1.00 0.00 H new ATOM 341 N GLY A 25 -12.309 0.148 2.307 1.00 0.00 N ATOM 342 CA GLY A 25 -12.405 1.432 1.557 1.00 0.00 C ATOM 343 C GLY A 25 -11.308 2.381 2.038 1.00 0.00 C ATOM 344 O GLY A 25 -10.615 2.996 1.252 1.00 0.00 O ATOM 0 H GLY A 25 -11.750 -0.577 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.301 1.250 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.385 1.883 1.710 1.00 0.00 H new ATOM 348 N GLU A 26 -11.146 2.507 3.327 1.00 0.00 N ATOM 349 CA GLU A 26 -10.106 3.410 3.865 1.00 0.00 C ATOM 350 C GLU A 26 -8.719 2.883 3.491 1.00 0.00 C ATOM 351 O GLU A 26 -7.776 3.637 3.354 1.00 0.00 O ATOM 352 CB GLU A 26 -10.264 3.471 5.385 1.00 0.00 C ATOM 353 CG GLU A 26 -9.587 2.262 6.041 1.00 0.00 C ATOM 354 CD GLU A 26 -8.146 2.621 6.407 1.00 0.00 C ATOM 355 OE1 GLU A 26 -7.967 3.409 7.321 1.00 0.00 O ATOM 356 OE2 GLU A 26 -7.246 2.101 5.768 1.00 0.00 O ATOM 0 H GLU A 26 -11.697 2.016 4.031 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.215 4.409 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.825 4.393 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.322 3.490 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.137 1.964 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.599 1.411 5.360 1.00 0.00 H new ATOM 363 N CYS A 27 -8.586 1.598 3.321 1.00 0.00 N ATOM 364 CA CYS A 27 -7.260 1.035 2.951 1.00 0.00 C ATOM 365 C CYS A 27 -6.818 1.632 1.616 1.00 0.00 C ATOM 366 O CYS A 27 -5.747 2.201 1.498 1.00 0.00 O ATOM 367 CB CYS A 27 -7.373 -0.483 2.813 1.00 0.00 C ATOM 368 SG CYS A 27 -6.941 -1.262 4.385 1.00 0.00 S ATOM 0 H CYS A 27 -9.337 0.915 3.422 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.530 1.277 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.387 -0.759 2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.710 -0.838 2.024 1.00 0.00 H new ATOM 373 N CYS A 28 -7.635 1.506 0.608 1.00 0.00 N ATOM 374 CA CYS A 28 -7.262 2.063 -0.717 1.00 0.00 C ATOM 375 C CYS A 28 -7.187 3.590 -0.624 1.00 0.00 C ATOM 376 O CYS A 28 -6.270 4.199 -1.131 1.00 0.00 O ATOM 377 CB CYS A 28 -8.289 1.622 -1.771 1.00 0.00 C ATOM 378 SG CYS A 28 -9.699 2.763 -1.828 1.00 0.00 S ATOM 0 H CYS A 28 -8.543 1.042 0.646 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.284 1.687 -1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.813 1.578 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.640 0.616 -1.542 1.00 0.00 H new ATOM 383 N ASN A 29 -8.129 4.217 0.034 1.00 0.00 N ATOM 384 CA ASN A 29 -8.057 5.697 0.154 1.00 0.00 C ATOM 385 C ASN A 29 -6.775 6.023 0.924 1.00 0.00 C ATOM 386 O ASN A 29 -6.247 7.114 0.850 1.00 0.00 O ATOM 387 CB ASN A 29 -9.323 6.230 0.869 1.00 0.00 C ATOM 388 CG ASN A 29 -8.981 7.004 2.152 1.00 0.00 C ATOM 389 OD1 ASN A 29 -9.709 6.821 3.218 1.00 0.00 O flip ATOM 390 ND2 ASN A 29 -8.060 7.797 2.178 1.00 0.00 N flip ATOM 0 H ASN A 29 -8.930 3.774 0.485 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.026 6.181 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.875 6.880 0.190 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.979 5.395 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.489 7.942 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.859 8.317 3.032 1.00 0.00 H new ATOM 397 N GLY A 30 -6.265 5.063 1.650 1.00 0.00 N ATOM 398 CA GLY A 30 -5.010 5.287 2.412 1.00 0.00 C ATOM 399 C GLY A 30 -3.835 5.283 1.436 1.00 0.00 C ATOM 400 O GLY A 30 -3.087 6.230 1.356 1.00 0.00 O ATOM 0 H GLY A 30 -6.668 4.131 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.056 6.237 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.880 4.508 3.163 1.00 0.00 H new ATOM 404 N VAL A 31 -3.668 4.233 0.679 1.00 0.00 N ATOM 405 CA VAL A 31 -2.536 4.210 -0.291 1.00 0.00 C ATOM 406 C VAL A 31 -2.617 5.462 -1.172 1.00 0.00 C ATOM 407 O VAL A 31 -1.666 6.212 -1.303 1.00 0.00 O ATOM 408 CB VAL A 31 -2.616 2.953 -1.161 1.00 0.00 C ATOM 409 CG1 VAL A 31 -1.326 2.815 -1.972 1.00 0.00 C ATOM 410 CG2 VAL A 31 -2.779 1.723 -0.265 1.00 0.00 C ATOM 0 H VAL A 31 -4.257 3.401 0.689 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.589 4.198 0.249 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.469 3.032 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.380 1.921 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.201 3.691 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.477 2.735 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.836 0.827 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.924 1.646 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.693 1.818 0.321 1.00 0.00 H new ATOM 420 N ARG A 32 -3.755 5.719 -1.753 1.00 0.00 N ATOM 421 CA ARG A 32 -3.885 6.941 -2.586 1.00 0.00 C ATOM 422 C ARG A 32 -3.546 8.127 -1.688 1.00 0.00 C ATOM 423 O ARG A 32 -3.016 9.130 -2.120 1.00 0.00 O ATOM 424 CB ARG A 32 -5.319 7.070 -3.101 1.00 0.00 C ATOM 425 CG ARG A 32 -5.362 8.103 -4.226 1.00 0.00 C ATOM 426 CD ARG A 32 -6.789 8.628 -4.379 1.00 0.00 C ATOM 427 NE ARG A 32 -6.796 9.765 -5.340 1.00 0.00 N ATOM 428 CZ ARG A 32 -6.303 9.608 -6.538 1.00 0.00 C ATOM 429 NH1 ARG A 32 -6.474 8.480 -7.171 1.00 0.00 N ATOM 430 NH2 ARG A 32 -5.636 10.579 -7.103 1.00 0.00 N ATOM 0 H ARG A 32 -4.592 5.140 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.219 6.900 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.675 6.106 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.983 7.371 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.682 8.926 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.026 7.653 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.445 7.833 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.175 8.952 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.186 10.666 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.993 7.721 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.089 8.357 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.500 11.460 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.251 10.456 -8.039 1.00 0.00 H new ATOM 444 N ASP A 33 -3.824 8.002 -0.417 1.00 0.00 N ATOM 445 CA ASP A 33 -3.479 9.099 0.520 1.00 0.00 C ATOM 446 C ASP A 33 -1.976 9.324 0.401 1.00 0.00 C ATOM 447 O ASP A 33 -1.513 10.434 0.241 1.00 0.00 O ATOM 448 CB ASP A 33 -3.838 8.698 1.951 1.00 0.00 C ATOM 449 CG ASP A 33 -3.883 9.946 2.833 1.00 0.00 C ATOM 450 OD1 ASP A 33 -3.503 11.001 2.353 1.00 0.00 O ATOM 451 OD2 ASP A 33 -4.297 9.826 3.975 1.00 0.00 O ATOM 0 H ASP A 33 -4.273 7.190 0.007 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.031 10.008 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.804 8.193 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.103 7.992 2.338 1.00 0.00 H new ATOM 456 N LEU A 34 -1.211 8.260 0.423 1.00 0.00 N ATOM 457 CA LEU A 34 0.247 8.393 0.250 1.00 0.00 C ATOM 458 C LEU A 34 0.456 9.142 -1.058 1.00 0.00 C ATOM 459 O LEU A 34 1.342 9.960 -1.204 1.00 0.00 O ATOM 460 CB LEU A 34 0.854 6.992 0.129 1.00 0.00 C ATOM 461 CG LEU A 34 0.936 6.293 1.495 1.00 0.00 C ATOM 462 CD1 LEU A 34 -0.230 6.716 2.393 1.00 0.00 C ATOM 463 CD2 LEU A 34 0.881 4.772 1.280 1.00 0.00 C ATOM 0 H LEU A 34 -1.546 7.306 0.555 1.00 0.00 H new ATOM 0 HA LEU A 34 0.711 8.915 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.252 6.391 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.851 7.063 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 34 1.870 6.577 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.151 6.209 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.197 7.794 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.173 6.446 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.939 4.266 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.054 4.508 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.720 4.462 0.657 1.00 0.00 H new ATOM 475 N HIS A 35 -0.389 8.852 -2.008 1.00 0.00 N ATOM 476 CA HIS A 35 -0.310 9.517 -3.335 1.00 0.00 C ATOM 477 C HIS A 35 -0.392 11.037 -3.164 1.00 0.00 C ATOM 478 O HIS A 35 0.381 11.778 -3.738 1.00 0.00 O ATOM 479 CB HIS A 35 -1.490 9.039 -4.180 1.00 0.00 C ATOM 480 CG HIS A 35 -0.997 8.494 -5.473 1.00 0.00 C ATOM 481 ND1 HIS A 35 -1.037 8.974 -6.755 1.00 0.00 N flip ATOM 482 CD2 HIS A 35 -0.398 7.258 -5.542 1.00 0.00 C flip ATOM 483 CE1 HIS A 35 -0.470 8.040 -7.613 1.00 0.00 C flip ATOM 484 NE2 HIS A 35 -0.105 7.026 -6.822 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.143 8.171 -1.917 1.00 0.00 H new ATOM 0 HA HIS A 35 0.634 9.268 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.048 8.273 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.177 9.865 -4.362 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.423 9.876 -7.036 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.201 6.596 -4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.350 8.116 -8.684 1.00 0.00 H new ATOM 492 N ASN A 36 -1.330 11.506 -2.386 1.00 0.00 N ATOM 493 CA ASN A 36 -1.468 12.978 -2.188 1.00 0.00 C ATOM 494 C ASN A 36 -0.301 13.500 -1.346 1.00 0.00 C ATOM 495 O ASN A 36 0.104 14.638 -1.469 1.00 0.00 O ATOM 496 CB ASN A 36 -2.788 13.277 -1.471 1.00 0.00 C ATOM 497 CG ASN A 36 -3.848 13.677 -2.498 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.096 14.848 -2.710 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.491 12.746 -3.149 1.00 0.00 N ATOM 0 H ASN A 36 -2.006 10.934 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.460 13.472 -3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.118 12.400 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.647 14.079 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.201 13.001 -3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.283 11.763 -2.971 1.00 0.00 H new ATOM 506 N GLN A 37 0.245 12.678 -0.493 1.00 0.00 N ATOM 507 CA GLN A 37 1.385 13.133 0.350 1.00 0.00 C ATOM 508 C GLN A 37 2.675 13.054 -0.465 1.00 0.00 C ATOM 509 O GLN A 37 3.185 14.050 -0.938 1.00 0.00 O ATOM 510 CB GLN A 37 1.503 12.230 1.580 1.00 0.00 C ATOM 511 CG GLN A 37 0.643 12.793 2.712 1.00 0.00 C ATOM 512 CD GLN A 37 0.221 11.657 3.645 1.00 0.00 C ATOM 513 OE1 GLN A 37 0.982 10.741 3.887 1.00 0.00 O ATOM 514 NE2 GLN A 37 -0.968 11.678 4.182 1.00 0.00 N ATOM 0 H GLN A 37 -0.049 11.713 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 37 1.216 14.161 0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.181 11.218 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.544 12.165 1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.202 13.546 3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.238 13.288 2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.606 12.447 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.259 10.925 4.805 1.00 0.00 H new ATOM 523 N ALA A 38 3.205 11.874 -0.638 1.00 0.00 N ATOM 524 CA ALA A 38 4.459 11.732 -1.427 1.00 0.00 C ATOM 525 C ALA A 38 4.287 12.433 -2.775 1.00 0.00 C ATOM 526 O ALA A 38 3.245 12.359 -3.394 1.00 0.00 O ATOM 527 CB ALA A 38 4.756 10.249 -1.656 1.00 0.00 C ATOM 0 H ALA A 38 2.824 11.004 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 38 5.287 12.184 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.675 10.147 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.875 9.749 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.931 9.793 -2.203 1.00 0.00 H new ATOM 533 N GLN A 39 5.298 13.118 -3.233 1.00 0.00 N ATOM 534 CA GLN A 39 5.183 13.825 -4.539 1.00 0.00 C ATOM 535 C GLN A 39 6.097 13.160 -5.570 1.00 0.00 C ATOM 536 O GLN A 39 5.641 12.595 -6.544 1.00 0.00 O ATOM 537 CB GLN A 39 5.596 15.288 -4.364 1.00 0.00 C ATOM 538 CG GLN A 39 4.388 16.194 -4.612 1.00 0.00 C ATOM 539 CD GLN A 39 3.507 16.226 -3.360 1.00 0.00 C ATOM 540 OE1 GLN A 39 2.500 15.549 -3.294 1.00 0.00 O ATOM 541 NE2 GLN A 39 3.846 16.990 -2.358 1.00 0.00 N ATOM 0 H GLN A 39 6.196 13.219 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 39 4.151 13.774 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.984 15.449 -3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.398 15.536 -5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.721 17.202 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.815 15.828 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.691 17.558 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.266 17.019 -1.520 1.00 0.00 H new ATOM 550 N SER A 40 7.384 13.227 -5.369 1.00 0.00 N ATOM 551 CA SER A 40 8.321 12.602 -6.345 1.00 0.00 C ATOM 552 C SER A 40 8.814 11.261 -5.803 1.00 0.00 C ATOM 553 O SER A 40 8.252 10.706 -4.879 1.00 0.00 O ATOM 554 CB SER A 40 9.516 13.529 -6.571 1.00 0.00 C ATOM 555 OG SER A 40 9.058 14.871 -6.670 1.00 0.00 O ATOM 0 H SER A 40 7.827 13.686 -4.573 1.00 0.00 H new ATOM 0 HA SER A 40 7.800 12.440 -7.289 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.225 13.434 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.044 13.245 -7.481 1.00 0.00 H new ATOM 0 HG SER A 40 9.822 15.468 -6.813 1.00 0.00 H new ATOM 561 N SER A 41 9.864 10.735 -6.372 1.00 0.00 N ATOM 562 CA SER A 41 10.396 9.430 -5.894 1.00 0.00 C ATOM 563 C SER A 41 11.087 9.625 -4.544 1.00 0.00 C ATOM 564 O SER A 41 11.207 8.707 -3.759 1.00 0.00 O ATOM 565 CB SER A 41 11.402 8.886 -6.909 1.00 0.00 C ATOM 566 OG SER A 41 10.982 7.599 -7.342 1.00 0.00 O ATOM 0 H SER A 41 10.376 11.154 -7.148 1.00 0.00 H new ATOM 0 HA SER A 41 9.575 8.722 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.479 9.562 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.393 8.826 -6.460 1.00 0.00 H new ATOM 0 HG SER A 41 10.192 7.688 -7.915 1.00 0.00 H new ATOM 572 N GLY A 42 11.538 10.816 -4.262 1.00 0.00 N ATOM 573 CA GLY A 42 12.216 11.067 -2.958 1.00 0.00 C ATOM 574 C GLY A 42 11.183 11.068 -1.826 1.00 0.00 C ATOM 575 O GLY A 42 11.514 11.280 -0.676 1.00 0.00 O ATOM 0 H GLY A 42 11.467 11.626 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.968 10.299 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.737 12.024 -2.987 1.00 0.00 H new ATOM 579 N ASP A 43 9.934 10.840 -2.138 1.00 0.00 N ATOM 580 CA ASP A 43 8.893 10.836 -1.073 1.00 0.00 C ATOM 581 C ASP A 43 8.176 9.483 -1.045 1.00 0.00 C ATOM 582 O ASP A 43 7.700 9.050 -0.014 1.00 0.00 O ATOM 583 CB ASP A 43 7.879 11.946 -1.355 1.00 0.00 C ATOM 584 CG ASP A 43 8.581 13.304 -1.302 1.00 0.00 C ATOM 585 OD1 ASP A 43 9.716 13.345 -0.857 1.00 0.00 O ATOM 586 OD2 ASP A 43 7.971 14.280 -1.707 1.00 0.00 O ATOM 0 H ASP A 43 9.592 10.657 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 43 9.367 11.006 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.425 11.798 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.073 11.912 -0.621 1.00 0.00 H new ATOM 591 N ARG A 44 8.087 8.807 -2.161 1.00 0.00 N ATOM 592 CA ARG A 44 7.397 7.497 -2.170 1.00 0.00 C ATOM 593 C ARG A 44 8.277 6.445 -1.498 1.00 0.00 C ATOM 594 O ARG A 44 7.884 5.838 -0.528 1.00 0.00 O ATOM 595 CB ARG A 44 7.107 7.092 -3.603 1.00 0.00 C ATOM 596 CG ARG A 44 5.780 7.706 -4.055 1.00 0.00 C ATOM 597 CD ARG A 44 6.052 9.005 -4.815 1.00 0.00 C ATOM 598 NE ARG A 44 5.048 9.163 -5.905 1.00 0.00 N ATOM 599 CZ ARG A 44 3.806 9.436 -5.613 1.00 0.00 C ATOM 600 NH1 ARG A 44 2.995 8.480 -5.248 1.00 0.00 N ATOM 601 NH2 ARG A 44 3.375 10.666 -5.684 1.00 0.00 N ATOM 0 H ARG A 44 8.463 9.109 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 44 6.459 7.575 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.914 7.426 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.062 6.006 -3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.241 7.005 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.145 7.904 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.002 9.855 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.059 8.990 -5.233 1.00 0.00 H new ATOM 0 HE ARG A 44 5.332 9.058 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.332 7.519 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.024 8.694 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.009 11.413 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.404 10.880 -5.456 1.00 0.00 H new ATOM 615 N GLN A 45 9.460 6.231 -2.014 1.00 0.00 N ATOM 616 CA GLN A 45 10.392 5.218 -1.430 1.00 0.00 C ATOM 617 C GLN A 45 10.173 5.089 0.078 1.00 0.00 C ATOM 618 O GLN A 45 10.222 4.008 0.628 1.00 0.00 O ATOM 619 CB GLN A 45 11.832 5.642 -1.709 1.00 0.00 C ATOM 620 CG GLN A 45 12.220 5.174 -3.109 1.00 0.00 C ATOM 621 CD GLN A 45 12.007 6.307 -4.114 1.00 0.00 C ATOM 622 OE1 GLN A 45 10.826 6.476 -4.645 1.00 0.00 O flip ATOM 623 NE2 GLN A 45 12.921 7.047 -4.417 1.00 0.00 N flip ATOM 0 H GLN A 45 9.826 6.723 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 45 10.195 4.249 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.928 6.725 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.503 5.210 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.263 4.858 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.621 4.308 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.843 6.915 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.766 7.801 -5.086 1.00 0.00 H new ATOM 632 N THR A 46 9.908 6.172 0.749 1.00 0.00 N ATOM 633 CA THR A 46 9.656 6.081 2.214 1.00 0.00 C ATOM 634 C THR A 46 8.347 5.315 2.421 1.00 0.00 C ATOM 635 O THR A 46 8.297 4.294 3.081 1.00 0.00 O ATOM 636 CB THR A 46 9.562 7.507 2.809 1.00 0.00 C ATOM 637 OG1 THR A 46 10.569 7.663 3.798 1.00 0.00 O ATOM 638 CG2 THR A 46 8.181 7.764 3.445 1.00 0.00 C ATOM 0 H THR A 46 9.855 7.110 0.352 1.00 0.00 H new ATOM 0 HA THR A 46 10.468 5.557 2.719 1.00 0.00 H new ATOM 0 HB THR A 46 9.702 8.226 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.517 8.565 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.151 8.774 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.405 7.655 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.010 7.044 4.246 1.00 0.00 H new ATOM 646 N VAL A 47 7.288 5.818 1.856 1.00 0.00 N ATOM 647 CA VAL A 47 5.966 5.157 1.999 1.00 0.00 C ATOM 648 C VAL A 47 6.047 3.714 1.498 1.00 0.00 C ATOM 649 O VAL A 47 5.765 2.775 2.218 1.00 0.00 O ATOM 650 CB VAL A 47 4.945 5.920 1.170 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.619 5.196 1.257 1.00 0.00 C ATOM 652 CG2 VAL A 47 4.782 7.338 1.720 1.00 0.00 C ATOM 0 H VAL A 47 7.283 6.670 1.294 1.00 0.00 H new ATOM 0 HA VAL A 47 5.672 5.153 3.049 1.00 0.00 H new ATOM 0 HB VAL A 47 5.280 5.977 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.874 5.730 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.731 4.184 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.296 5.152 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.049 7.879 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.441 7.290 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.739 7.857 1.677 1.00 0.00 H new ATOM 662 N CYS A 48 6.423 3.532 0.264 1.00 0.00 N ATOM 663 CA CYS A 48 6.530 2.162 -0.287 1.00 0.00 C ATOM 664 C CYS A 48 7.287 1.291 0.713 1.00 0.00 C ATOM 665 O CYS A 48 6.848 0.219 1.080 1.00 0.00 O ATOM 666 CB CYS A 48 7.293 2.209 -1.609 1.00 0.00 C ATOM 667 SG CYS A 48 7.667 0.520 -2.147 1.00 0.00 S ATOM 0 H CYS A 48 6.661 4.280 -0.387 1.00 0.00 H new ATOM 0 HA CYS A 48 5.537 1.747 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.699 2.721 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.215 2.777 -1.489 1.00 0.00 H new ATOM 672 N ASN A 49 8.417 1.756 1.169 1.00 0.00 N ATOM 673 CA ASN A 49 9.199 0.969 2.159 1.00 0.00 C ATOM 674 C ASN A 49 8.283 0.612 3.325 1.00 0.00 C ATOM 675 O ASN A 49 8.319 -0.483 3.839 1.00 0.00 O ATOM 676 CB ASN A 49 10.378 1.802 2.663 1.00 0.00 C ATOM 677 CG ASN A 49 11.655 1.369 1.941 1.00 0.00 C ATOM 678 OD1 ASN A 49 12.616 0.969 2.568 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.706 1.430 0.638 1.00 0.00 N ATOM 0 H ASN A 49 8.832 2.648 0.898 1.00 0.00 H new ATOM 0 HA ASN A 49 9.583 0.060 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.190 2.861 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.494 1.673 3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.552 1.142 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.900 1.766 0.111 1.00 0.00 H new ATOM 686 N CYS A 50 7.455 1.534 3.740 1.00 0.00 N ATOM 687 CA CYS A 50 6.519 1.256 4.869 1.00 0.00 C ATOM 688 C CYS A 50 5.547 0.134 4.474 1.00 0.00 C ATOM 689 O CYS A 50 5.590 -0.951 5.020 1.00 0.00 O ATOM 690 CB CYS A 50 5.732 2.526 5.201 1.00 0.00 C ATOM 691 SG CYS A 50 6.043 2.991 6.919 1.00 0.00 S ATOM 0 H CYS A 50 7.386 2.471 3.344 1.00 0.00 H new ATOM 0 HA CYS A 50 7.090 0.943 5.743 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.028 3.336 4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.666 2.358 5.045 1.00 0.00 H new ATOM 696 N LEU A 51 4.668 0.378 3.533 1.00 0.00 N ATOM 697 CA LEU A 51 3.712 -0.691 3.126 1.00 0.00 C ATOM 698 C LEU A 51 4.482 -2.001 2.932 1.00 0.00 C ATOM 699 O LEU A 51 3.931 -3.080 3.037 1.00 0.00 O ATOM 700 CB LEU A 51 3.000 -0.307 1.817 1.00 0.00 C ATOM 701 CG LEU A 51 2.735 1.203 1.776 1.00 0.00 C ATOM 702 CD1 LEU A 51 1.649 1.501 0.736 1.00 0.00 C ATOM 703 CD2 LEU A 51 2.266 1.688 3.153 1.00 0.00 C ATOM 0 H LEU A 51 4.573 1.263 3.035 1.00 0.00 H new ATOM 0 HA LEU A 51 2.959 -0.814 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.612 -0.599 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.059 -0.850 1.735 1.00 0.00 H new ATOM 0 HG LEU A 51 3.655 1.721 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.459 2.574 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.982 1.163 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.732 0.978 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.080 2.761 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.348 1.169 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.037 1.479 3.895 1.00 0.00 H new ATOM 715 N LYS A 52 5.757 -1.913 2.655 1.00 0.00 N ATOM 716 CA LYS A 52 6.573 -3.145 2.460 1.00 0.00 C ATOM 717 C LYS A 52 6.870 -3.783 3.821 1.00 0.00 C ATOM 718 O LYS A 52 6.757 -4.980 3.995 1.00 0.00 O ATOM 719 CB LYS A 52 7.889 -2.768 1.776 1.00 0.00 C ATOM 720 CG LYS A 52 8.726 -4.025 1.534 1.00 0.00 C ATOM 721 CD LYS A 52 10.010 -3.643 0.795 1.00 0.00 C ATOM 722 CE LYS A 52 10.581 -4.875 0.092 1.00 0.00 C ATOM 723 NZ LYS A 52 11.912 -5.205 0.675 1.00 0.00 N ATOM 0 H LYS A 52 6.269 -1.036 2.555 1.00 0.00 H new ATOM 0 HA LYS A 52 6.025 -3.855 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.687 -2.267 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.444 -2.065 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.968 -4.503 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.157 -4.748 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.803 -2.859 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.740 -3.241 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.902 -5.720 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.677 -4.686 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.302 -6.043 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.558 -4.400 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.807 -5.403 1.691 1.00 0.00 H new ATOM 737 N GLY A 53 7.244 -2.990 4.788 1.00 0.00 N ATOM 738 CA GLY A 53 7.545 -3.538 6.138 1.00 0.00 C ATOM 739 C GLY A 53 6.278 -4.160 6.717 1.00 0.00 C ATOM 740 O GLY A 53 6.322 -5.140 7.434 1.00 0.00 O ATOM 0 H GLY A 53 7.354 -1.980 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.335 -4.286 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.909 -2.746 6.793 1.00 0.00 H new ATOM 744 N ILE A 54 5.146 -3.596 6.406 1.00 0.00 N ATOM 745 CA ILE A 54 3.868 -4.148 6.929 1.00 0.00 C ATOM 746 C ILE A 54 3.539 -5.450 6.195 1.00 0.00 C ATOM 747 O ILE A 54 3.406 -6.498 6.795 1.00 0.00 O ATOM 748 CB ILE A 54 2.751 -3.131 6.696 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.108 -1.819 7.398 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.437 -3.672 7.260 1.00 0.00 C ATOM 751 CD1 ILE A 54 2.417 -0.652 6.692 1.00 0.00 C ATOM 0 H ILE A 54 5.051 -2.774 5.810 1.00 0.00 H new ATOM 0 HA ILE A 54 3.962 -4.350 7.996 1.00 0.00 H new ATOM 0 HB ILE A 54 2.637 -2.954 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.799 -1.859 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.188 -1.673 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.642 -2.945 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.184 -4.607 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.546 -3.850 8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.673 0.281 7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.747 -0.608 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.337 -0.796 6.723 1.00 0.00 H new ATOM 763 N ALA A 55 3.399 -5.387 4.901 1.00 0.00 N ATOM 764 CA ALA A 55 3.069 -6.613 4.119 1.00 0.00 C ATOM 765 C ALA A 55 4.124 -7.703 4.359 1.00 0.00 C ATOM 766 O ALA A 55 3.855 -8.876 4.193 1.00 0.00 O ATOM 767 CB ALA A 55 3.022 -6.265 2.630 1.00 0.00 C ATOM 0 H ALA A 55 3.499 -4.536 4.348 1.00 0.00 H new ATOM 0 HA ALA A 55 2.098 -6.989 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.781 -7.159 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.259 -5.506 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.993 -5.882 2.315 1.00 0.00 H new ATOM 773 N ARG A 56 5.320 -7.337 4.742 1.00 0.00 N ATOM 774 CA ARG A 56 6.367 -8.376 4.979 1.00 0.00 C ATOM 775 C ARG A 56 6.299 -8.854 6.433 1.00 0.00 C ATOM 776 O ARG A 56 7.301 -9.148 7.051 1.00 0.00 O ATOM 777 CB ARG A 56 7.756 -7.796 4.681 1.00 0.00 C ATOM 778 CG ARG A 56 8.212 -6.905 5.838 1.00 0.00 C ATOM 779 CD ARG A 56 9.292 -7.626 6.648 1.00 0.00 C ATOM 780 NE ARG A 56 10.521 -6.788 6.700 1.00 0.00 N ATOM 781 CZ ARG A 56 11.584 -7.148 6.036 1.00 0.00 C ATOM 782 NH1 ARG A 56 11.721 -6.801 4.785 1.00 0.00 N ATOM 783 NH2 ARG A 56 12.510 -7.856 6.621 1.00 0.00 N ATOM 0 H ARG A 56 5.615 -6.374 4.900 1.00 0.00 H new ATOM 0 HA ARG A 56 6.189 -9.223 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.472 -8.604 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.727 -7.219 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.601 -5.962 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.364 -6.662 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.932 -7.824 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.517 -8.591 6.195 1.00 0.00 H new ATOM 0 HE ARG A 56 10.532 -5.932 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.997 -6.248 4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.553 -7.083 4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.403 -8.128 7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.341 -8.137 6.101 1.00 0.00 H new ATOM 797 N GLY A 57 5.121 -8.955 6.976 1.00 0.00 N ATOM 798 CA GLY A 57 4.980 -9.430 8.380 1.00 0.00 C ATOM 799 C GLY A 57 3.729 -10.286 8.438 1.00 0.00 C ATOM 800 O GLY A 57 3.034 -10.345 9.432 1.00 0.00 O ATOM 0 H GLY A 57 4.244 -8.728 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.855 -10.006 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.902 -8.587 9.066 1.00 0.00 H new ATOM 804 N ILE A 58 3.430 -10.924 7.346 1.00 0.00 N ATOM 805 CA ILE A 58 2.215 -11.760 7.270 1.00 0.00 C ATOM 806 C ILE A 58 2.596 -13.236 7.199 1.00 0.00 C ATOM 807 O ILE A 58 3.678 -13.592 6.776 1.00 0.00 O ATOM 808 CB ILE A 58 1.455 -11.383 6.005 1.00 0.00 C ATOM 809 CG1 ILE A 58 1.549 -9.872 5.779 1.00 0.00 C ATOM 810 CG2 ILE A 58 -0.004 -11.787 6.147 1.00 0.00 C ATOM 811 CD1 ILE A 58 0.689 -9.135 6.808 1.00 0.00 C ATOM 0 H ILE A 58 3.987 -10.899 6.492 1.00 0.00 H new ATOM 0 HA ILE A 58 1.600 -11.595 8.155 1.00 0.00 H new ATOM 0 HB ILE A 58 1.893 -11.903 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.586 -9.548 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.216 -9.625 4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.546 -11.516 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.070 -12.864 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.443 -11.271 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.762 -8.060 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.350 -9.449 6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.042 -9.370 7.812 1.00 0.00 H new ATOM 823 N HIS A 59 1.702 -14.093 7.594 1.00 0.00 N ATOM 824 CA HIS A 59 1.987 -15.553 7.537 1.00 0.00 C ATOM 825 C HIS A 59 1.367 -16.122 6.261 1.00 0.00 C ATOM 826 O HIS A 59 1.823 -17.110 5.719 1.00 0.00 O ATOM 827 CB HIS A 59 1.379 -16.243 8.760 1.00 0.00 C ATOM 828 CG HIS A 59 2.071 -15.760 10.006 1.00 0.00 C ATOM 829 ND1 HIS A 59 3.443 -15.570 10.063 1.00 0.00 N ATOM 830 CD2 HIS A 59 1.595 -15.423 11.249 1.00 0.00 C ATOM 831 CE1 HIS A 59 3.742 -15.138 11.302 1.00 0.00 C ATOM 832 NE2 HIS A 59 2.651 -15.032 12.066 1.00 0.00 N ATOM 0 H HIS A 59 0.781 -13.846 7.956 1.00 0.00 H new ATOM 0 HA HIS A 59 3.064 -15.724 7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.312 -16.029 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.483 -17.324 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.558 -15.456 11.547 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.742 -14.905 11.638 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.603 -14.729 13.039 1.00 0.00 H new ATOM 840 N ASN A 60 0.330 -15.495 5.776 1.00 0.00 N ATOM 841 CA ASN A 60 -0.333 -15.977 4.532 1.00 0.00 C ATOM 842 C ASN A 60 -0.862 -14.772 3.748 1.00 0.00 C ATOM 843 O ASN A 60 -1.988 -14.757 3.294 1.00 0.00 O ATOM 844 CB ASN A 60 -1.495 -16.904 4.897 1.00 0.00 C ATOM 845 CG ASN A 60 -1.575 -18.046 3.883 1.00 0.00 C ATOM 846 OD1 ASN A 60 -1.792 -17.818 2.709 1.00 0.00 O ATOM 847 ND2 ASN A 60 -1.408 -19.276 4.288 1.00 0.00 N ATOM 0 H ASN A 60 -0.089 -14.663 6.192 1.00 0.00 H new ATOM 0 HA ASN A 60 0.384 -16.526 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.353 -17.304 5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.431 -16.345 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.460 -20.045 3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.226 -19.468 5.273 1.00 0.00 H new ATOM 854 N LEU A 61 -0.053 -13.758 3.592 1.00 0.00 N ATOM 855 CA LEU A 61 -0.497 -12.546 2.845 1.00 0.00 C ATOM 856 C LEU A 61 -0.942 -12.942 1.437 1.00 0.00 C ATOM 857 O LEU A 61 -0.228 -13.602 0.709 1.00 0.00 O ATOM 858 CB LEU A 61 0.672 -11.552 2.761 1.00 0.00 C ATOM 859 CG LEU A 61 0.364 -10.438 1.750 1.00 0.00 C ATOM 860 CD1 LEU A 61 -0.220 -9.225 2.475 1.00 0.00 C ATOM 861 CD2 LEU A 61 1.659 -10.029 1.043 1.00 0.00 C ATOM 0 H LEU A 61 0.901 -13.717 3.952 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.336 -12.082 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.858 -11.118 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.581 -12.076 2.467 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.359 -10.802 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.436 -8.438 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.140 -9.513 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.499 -8.857 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.447 -9.238 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.377 -9.667 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.077 -10.890 0.522 1.00 0.00 H new ATOM 873 N ASN A 62 -2.115 -12.524 1.044 1.00 0.00 N ATOM 874 CA ASN A 62 -2.608 -12.852 -0.322 1.00 0.00 C ATOM 875 C ASN A 62 -2.068 -11.802 -1.293 1.00 0.00 C ATOM 876 O ASN A 62 -2.282 -10.621 -1.118 1.00 0.00 O ATOM 877 CB ASN A 62 -4.139 -12.825 -0.333 1.00 0.00 C ATOM 878 CG ASN A 62 -4.670 -14.004 -1.150 1.00 0.00 C ATOM 879 OD1 ASN A 62 -3.946 -14.598 -1.923 1.00 0.00 O ATOM 880 ND2 ASN A 62 -5.916 -14.369 -1.010 1.00 0.00 N ATOM 0 H ASN A 62 -2.754 -11.968 1.613 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.269 -13.845 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.520 -12.876 0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.493 -11.886 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.281 -15.153 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.524 -13.870 -0.361 1.00 0.00 H new ATOM 887 N LEU A 63 -1.357 -12.214 -2.304 1.00 0.00 N ATOM 888 CA LEU A 63 -0.795 -11.224 -3.266 1.00 0.00 C ATOM 889 C LEU A 63 -1.920 -10.637 -4.117 1.00 0.00 C ATOM 890 O LEU A 63 -1.891 -9.481 -4.491 1.00 0.00 O ATOM 891 CB LEU A 63 0.230 -11.914 -4.169 1.00 0.00 C ATOM 892 CG LEU A 63 1.528 -12.139 -3.390 1.00 0.00 C ATOM 893 CD1 LEU A 63 2.187 -10.792 -3.090 1.00 0.00 C ATOM 894 CD2 LEU A 63 1.217 -12.857 -2.073 1.00 0.00 C ATOM 0 H LEU A 63 -1.141 -13.190 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.307 -10.420 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.164 -12.867 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.424 -11.303 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 63 2.205 -12.750 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.111 -10.955 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.411 -10.280 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.509 -10.180 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.142 -13.017 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.538 -12.247 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.750 -13.819 -2.284 1.00 0.00 H new ATOM 906 N ASN A 64 -2.915 -11.420 -4.421 1.00 0.00 N ATOM 907 CA ASN A 64 -4.045 -10.902 -5.241 1.00 0.00 C ATOM 908 C ASN A 64 -4.707 -9.741 -4.500 1.00 0.00 C ATOM 909 O ASN A 64 -4.869 -8.661 -5.031 1.00 0.00 O ATOM 910 CB ASN A 64 -5.057 -12.027 -5.456 1.00 0.00 C ATOM 911 CG ASN A 64 -6.414 -11.444 -5.860 1.00 0.00 C ATOM 912 OD1 ASN A 64 -7.188 -10.934 -4.940 1.00 0.00 O flip ATOM 913 ND2 ASN A 64 -6.773 -11.453 -7.020 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.996 -12.397 -4.138 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.682 -10.552 -6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.699 -12.706 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.161 -12.612 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.168 -11.851 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.680 -11.062 -7.276 1.00 0.00 H new ATOM 920 N ASN A 65 -5.087 -9.957 -3.272 1.00 0.00 N ATOM 921 CA ASN A 65 -5.729 -8.867 -2.491 1.00 0.00 C ATOM 922 C ASN A 65 -4.712 -7.748 -2.305 1.00 0.00 C ATOM 923 O ASN A 65 -5.024 -6.577 -2.390 1.00 0.00 O ATOM 924 CB ASN A 65 -6.143 -9.403 -1.122 1.00 0.00 C ATOM 925 CG ASN A 65 -7.483 -10.130 -1.238 1.00 0.00 C ATOM 926 OD1 ASN A 65 -8.517 -9.509 -1.389 1.00 0.00 O ATOM 927 ND2 ASN A 65 -7.507 -11.433 -1.174 1.00 0.00 N ATOM 0 H ASN A 65 -4.980 -10.842 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.609 -8.495 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.381 -10.083 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.224 -8.583 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.394 -11.931 -1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.639 -11.953 -1.047 1.00 0.00 H new ATOM 934 N ALA A 66 -3.489 -8.113 -2.058 1.00 0.00 N ATOM 935 CA ALA A 66 -2.420 -7.090 -1.870 1.00 0.00 C ATOM 936 C ALA A 66 -1.997 -6.542 -3.235 1.00 0.00 C ATOM 937 O ALA A 66 -1.199 -5.632 -3.332 1.00 0.00 O ATOM 938 CB ALA A 66 -1.214 -7.733 -1.183 1.00 0.00 C ATOM 0 H ALA A 66 -3.179 -9.081 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.799 -6.276 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.432 -6.986 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.515 -8.126 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.834 -8.546 -1.801 1.00 0.00 H new ATOM 944 N ALA A 67 -2.526 -7.095 -4.293 1.00 0.00 N ATOM 945 CA ALA A 67 -2.159 -6.616 -5.654 1.00 0.00 C ATOM 946 C ALA A 67 -3.384 -5.987 -6.323 1.00 0.00 C ATOM 947 O ALA A 67 -3.412 -5.787 -7.521 1.00 0.00 O ATOM 948 CB ALA A 67 -1.680 -7.802 -6.494 1.00 0.00 C ATOM 0 H ALA A 67 -3.199 -7.861 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.365 -5.873 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.410 -7.456 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.810 -8.256 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.478 -8.540 -6.570 1.00 0.00 H new ATOM 954 N SER A 68 -4.400 -5.680 -5.563 1.00 0.00 N ATOM 955 CA SER A 68 -5.619 -5.073 -6.170 1.00 0.00 C ATOM 956 C SER A 68 -6.019 -3.807 -5.406 1.00 0.00 C ATOM 957 O SER A 68 -7.086 -3.261 -5.616 1.00 0.00 O ATOM 958 CB SER A 68 -6.768 -6.082 -6.114 1.00 0.00 C ATOM 959 OG SER A 68 -7.853 -5.603 -6.898 1.00 0.00 O ATOM 0 H SER A 68 -4.439 -5.822 -4.554 1.00 0.00 H new ATOM 0 HA SER A 68 -5.405 -4.809 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.435 -7.051 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.087 -6.230 -5.082 1.00 0.00 H new ATOM 0 HG SER A 68 -8.590 -6.248 -6.865 1.00 0.00 H new ATOM 965 N ILE A 69 -5.180 -3.325 -4.526 1.00 0.00 N ATOM 966 CA ILE A 69 -5.545 -2.090 -3.771 1.00 0.00 C ATOM 967 C ILE A 69 -5.659 -0.912 -4.750 1.00 0.00 C ATOM 968 O ILE A 69 -6.661 -0.217 -4.764 1.00 0.00 O ATOM 969 CB ILE A 69 -4.497 -1.764 -2.690 1.00 0.00 C ATOM 970 CG1 ILE A 69 -3.746 -3.033 -2.263 1.00 0.00 C ATOM 971 CG2 ILE A 69 -5.206 -1.173 -1.471 1.00 0.00 C ATOM 972 CD1 ILE A 69 -2.393 -3.087 -2.978 1.00 0.00 C ATOM 0 H ILE A 69 -4.270 -3.727 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.501 -2.260 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.781 -1.051 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.600 -3.036 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.335 -3.917 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.471 -0.939 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.730 -0.262 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.923 -1.896 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.858 -3.987 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.552 -3.103 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.805 -2.209 -2.711 1.00 0.00 H new ATOM 984 N PRO A 70 -4.635 -0.722 -5.549 1.00 0.00 N ATOM 985 CA PRO A 70 -4.603 0.363 -6.542 1.00 0.00 C ATOM 986 C PRO A 70 -5.454 -0.019 -7.752 1.00 0.00 C ATOM 987 O PRO A 70 -6.216 0.771 -8.263 1.00 0.00 O ATOM 988 CB PRO A 70 -3.125 0.463 -6.923 1.00 0.00 C ATOM 989 CG PRO A 70 -2.493 -0.903 -6.579 1.00 0.00 C ATOM 990 CD PRO A 70 -3.421 -1.567 -5.546 1.00 0.00 C ATOM 0 HA PRO A 70 -5.000 1.307 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.012 0.687 -7.984 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.636 1.267 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.399 -1.523 -7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.490 -0.775 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.652 -2.596 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.960 -1.598 -4.559 1.00 0.00 H new ATOM 998 N SER A 71 -5.335 -1.231 -8.210 1.00 0.00 N ATOM 999 CA SER A 71 -6.148 -1.659 -9.379 1.00 0.00 C ATOM 1000 C SER A 71 -7.629 -1.592 -9.006 1.00 0.00 C ATOM 1001 O SER A 71 -8.490 -1.475 -9.855 1.00 0.00 O ATOM 1002 CB SER A 71 -5.783 -3.094 -9.756 1.00 0.00 C ATOM 1003 OG SER A 71 -4.780 -3.073 -10.763 1.00 0.00 O ATOM 0 H SER A 71 -4.712 -1.942 -7.827 1.00 0.00 H new ATOM 0 HA SER A 71 -5.950 -1.002 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.423 -3.633 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.665 -3.624 -10.116 1.00 0.00 H new ATOM 0 HG SER A 71 -4.542 -3.992 -11.007 1.00 0.00 H new ATOM 1009 N LYS A 72 -7.932 -1.673 -7.738 1.00 0.00 N ATOM 1010 CA LYS A 72 -9.356 -1.624 -7.305 1.00 0.00 C ATOM 1011 C LYS A 72 -9.820 -0.171 -7.143 1.00 0.00 C ATOM 1012 O LYS A 72 -10.821 0.230 -7.703 1.00 0.00 O ATOM 1013 CB LYS A 72 -9.507 -2.352 -5.968 1.00 0.00 C ATOM 1014 CG LYS A 72 -10.983 -2.378 -5.564 1.00 0.00 C ATOM 1015 CD LYS A 72 -11.825 -2.870 -6.743 1.00 0.00 C ATOM 1016 CE LYS A 72 -13.144 -3.445 -6.225 1.00 0.00 C ATOM 1017 NZ LYS A 72 -14.263 -2.537 -6.603 1.00 0.00 N ATOM 0 H LYS A 72 -7.253 -1.771 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.969 -2.108 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.124 -3.369 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.918 -1.851 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.124 -3.033 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.306 -1.382 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.020 -2.048 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.279 -3.631 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.310 -4.438 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.103 -3.558 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.161 -2.927 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.105 -1.598 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.305 -2.451 -7.639 1.00 0.00 H new ATOM 1031 N CYS A 73 -9.120 0.621 -6.370 1.00 0.00 N ATOM 1032 CA CYS A 73 -9.562 2.038 -6.175 1.00 0.00 C ATOM 1033 C CYS A 73 -8.979 2.940 -7.268 1.00 0.00 C ATOM 1034 O CYS A 73 -9.160 4.141 -7.255 1.00 0.00 O ATOM 1035 CB CYS A 73 -9.108 2.532 -4.802 1.00 0.00 C ATOM 1036 SG CYS A 73 -10.510 2.460 -3.654 1.00 0.00 S ATOM 0 H CYS A 73 -8.272 0.353 -5.871 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.650 2.077 -6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.288 1.917 -4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.733 3.553 -4.874 1.00 0.00 H new ATOM 1041 N ASN A 74 -8.300 2.370 -8.222 1.00 0.00 N ATOM 1042 CA ASN A 74 -7.725 3.189 -9.330 1.00 0.00 C ATOM 1043 C ASN A 74 -6.663 4.166 -8.803 1.00 0.00 C ATOM 1044 O ASN A 74 -6.831 5.368 -8.870 1.00 0.00 O ATOM 1045 CB ASN A 74 -8.848 3.980 -10.006 1.00 0.00 C ATOM 1046 CG ASN A 74 -9.400 3.180 -11.187 1.00 0.00 C ATOM 1047 OD1 ASN A 74 -9.197 3.542 -12.329 1.00 0.00 O ATOM 1048 ND2 ASN A 74 -10.096 2.099 -10.960 1.00 0.00 N ATOM 0 H ASN A 74 -8.116 1.369 -8.285 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.250 2.518 -10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.643 4.186 -9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.472 4.943 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.469 1.559 -11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.267 1.794 -10.002 1.00 0.00 H new ATOM 1055 N VAL A 75 -5.559 3.667 -8.311 1.00 0.00 N ATOM 1056 CA VAL A 75 -4.480 4.575 -7.821 1.00 0.00 C ATOM 1057 C VAL A 75 -3.222 4.316 -8.655 1.00 0.00 C ATOM 1058 O VAL A 75 -2.885 3.185 -8.947 1.00 0.00 O ATOM 1059 CB VAL A 75 -4.186 4.306 -6.340 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -3.460 5.514 -5.733 1.00 0.00 C ATOM 1061 CG2 VAL A 75 -5.502 4.079 -5.594 1.00 0.00 C ATOM 0 H VAL A 75 -5.358 2.670 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.796 5.613 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.557 3.421 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.251 5.322 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.523 5.680 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.089 6.399 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.295 3.888 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.130 4.966 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.021 3.222 -6.023 1.00 0.00 H new ATOM 1071 N ASN A 76 -2.538 5.348 -9.064 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.321 5.148 -9.904 1.00 0.00 C ATOM 1073 C ASN A 76 -0.096 4.880 -9.025 1.00 0.00 C ATOM 1074 O ASN A 76 0.998 5.315 -9.329 1.00 0.00 O ATOM 1075 CB ASN A 76 -1.074 6.403 -10.743 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.952 6.366 -11.995 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.111 5.767 -11.950 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -1.580 6.889 -13.026 1.00 0.00 N flip ATOM 0 H ASN A 76 -2.767 6.320 -8.854 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.482 4.288 -10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.297 7.294 -10.157 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.023 6.462 -11.026 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.675 7.357 -13.062 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.173 6.860 -13.855 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.255 4.165 -7.943 1.00 0.00 N ATOM 1086 CA VAL A 77 0.921 3.876 -7.069 1.00 0.00 C ATOM 1087 C VAL A 77 1.724 2.734 -7.704 1.00 0.00 C ATOM 1088 O VAL A 77 1.149 1.820 -8.262 1.00 0.00 O ATOM 1089 CB VAL A 77 0.433 3.498 -5.656 1.00 0.00 C ATOM 1090 CG1 VAL A 77 0.068 2.009 -5.586 1.00 0.00 C ATOM 1091 CG2 VAL A 77 1.529 3.813 -4.637 1.00 0.00 C ATOM 0 H VAL A 77 -1.141 3.771 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 77 1.561 4.754 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.459 4.080 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.274 1.765 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.727 1.795 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.945 1.408 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.185 3.546 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.425 3.240 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.760 4.878 -4.669 1.00 0.00 H new ATOM 1101 N PRO A 78 3.030 2.822 -7.622 1.00 0.00 N ATOM 1102 CA PRO A 78 3.925 1.814 -8.204 1.00 0.00 C ATOM 1103 C PRO A 78 4.131 0.708 -7.180 1.00 0.00 C ATOM 1104 O PRO A 78 4.244 -0.459 -7.500 1.00 0.00 O ATOM 1105 CB PRO A 78 5.225 2.590 -8.430 1.00 0.00 C ATOM 1106 CG PRO A 78 5.191 3.795 -7.455 1.00 0.00 C ATOM 1107 CD PRO A 78 3.745 3.920 -6.939 1.00 0.00 C ATOM 0 HA PRO A 78 3.553 1.351 -9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.093 1.959 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.301 2.929 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.883 3.640 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.499 4.709 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.697 3.815 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.315 4.891 -7.185 1.00 0.00 H new ATOM 1115 N TYR A 79 4.165 1.094 -5.942 1.00 0.00 N ATOM 1116 CA TYR A 79 4.345 0.135 -4.843 1.00 0.00 C ATOM 1117 C TYR A 79 2.970 -0.215 -4.282 1.00 0.00 C ATOM 1118 O TYR A 79 1.975 0.361 -4.670 1.00 0.00 O ATOM 1119 CB TYR A 79 5.185 0.807 -3.766 1.00 0.00 C ATOM 1120 CG TYR A 79 4.496 2.052 -3.271 1.00 0.00 C ATOM 1121 CD1 TYR A 79 3.378 1.945 -2.432 1.00 0.00 C ATOM 1122 CD2 TYR A 79 4.977 3.314 -3.638 1.00 0.00 C ATOM 1123 CE1 TYR A 79 2.746 3.096 -1.960 1.00 0.00 C ATOM 1124 CE2 TYR A 79 4.346 4.464 -3.164 1.00 0.00 C ATOM 1125 CZ TYR A 79 3.230 4.359 -2.324 1.00 0.00 C ATOM 1126 OH TYR A 79 2.605 5.498 -1.859 1.00 0.00 O ATOM 0 H TYR A 79 4.072 2.065 -5.644 1.00 0.00 H new ATOM 0 HA TYR A 79 4.841 -0.773 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.346 0.118 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.167 1.060 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.006 0.971 -2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.836 3.397 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.884 3.013 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.719 5.438 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 79 3.068 6.290 -2.205 1.00 0.00 H new ATOM 1136 N THR A 80 2.893 -1.144 -3.378 1.00 0.00 N ATOM 1137 CA THR A 80 1.564 -1.503 -2.815 1.00 0.00 C ATOM 1138 C THR A 80 1.741 -2.154 -1.447 1.00 0.00 C ATOM 1139 O THR A 80 2.821 -2.189 -0.893 1.00 0.00 O ATOM 1140 CB THR A 80 0.854 -2.490 -3.749 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.308 -3.808 -3.475 1.00 0.00 O ATOM 1142 CG2 THR A 80 1.154 -2.139 -5.207 1.00 0.00 C ATOM 0 H THR A 80 3.685 -1.668 -3.005 1.00 0.00 H new ATOM 0 HA THR A 80 0.967 -0.597 -2.716 1.00 0.00 H new ATOM 0 HB THR A 80 -0.222 -2.430 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.540 -4.414 -3.421 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.646 -2.845 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.802 -1.129 -5.418 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.229 -2.192 -5.380 1.00 0.00 H new ATOM 1150 N ILE A 81 0.679 -2.677 -0.908 1.00 0.00 N ATOM 1151 CA ILE A 81 0.756 -3.343 0.417 1.00 0.00 C ATOM 1152 C ILE A 81 1.246 -4.778 0.208 1.00 0.00 C ATOM 1153 O ILE A 81 0.500 -5.729 0.328 1.00 0.00 O ATOM 1154 CB ILE A 81 -0.639 -3.341 1.042 1.00 0.00 C ATOM 1155 CG1 ILE A 81 -0.657 -4.197 2.304 1.00 0.00 C ATOM 1156 CG2 ILE A 81 -1.639 -3.907 0.038 1.00 0.00 C ATOM 1157 CD1 ILE A 81 0.510 -3.801 3.209 1.00 0.00 C ATOM 0 H ILE A 81 -0.248 -2.671 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 81 1.446 -2.821 1.080 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.908 -2.318 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.601 -4.064 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.585 -5.252 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.636 -3.908 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.640 -3.291 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.356 -4.927 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.496 -4.414 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.450 -3.956 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.418 -2.750 3.483 1.00 0.00 H new ATOM 1169 N SER A 82 2.497 -4.936 -0.128 1.00 0.00 N ATOM 1170 CA SER A 82 3.041 -6.300 -0.372 1.00 0.00 C ATOM 1171 C SER A 82 4.559 -6.281 -0.191 1.00 0.00 C ATOM 1172 O SER A 82 5.181 -5.255 -0.357 1.00 0.00 O ATOM 1173 CB SER A 82 2.718 -6.718 -1.805 1.00 0.00 C ATOM 1174 OG SER A 82 2.089 -7.994 -1.797 1.00 0.00 O ATOM 0 H SER A 82 3.167 -4.176 -0.244 1.00 0.00 H new ATOM 0 HA SER A 82 2.595 -7.003 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.064 -5.981 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.631 -6.755 -2.399 1.00 0.00 H new ATOM 0 HG SER A 82 1.364 -8.006 -2.456 1.00 0.00 H new ATOM 1180 N PRO A 83 5.106 -7.423 0.136 1.00 0.00 N ATOM 1181 CA PRO A 83 6.556 -7.584 0.334 1.00 0.00 C ATOM 1182 C PRO A 83 7.255 -7.817 -1.014 1.00 0.00 C ATOM 1183 O PRO A 83 8.403 -8.209 -1.065 1.00 0.00 O ATOM 1184 CB PRO A 83 6.656 -8.840 1.202 1.00 0.00 C ATOM 1185 CG PRO A 83 5.349 -9.639 0.968 1.00 0.00 C ATOM 1186 CD PRO A 83 4.328 -8.656 0.363 1.00 0.00 C ATOM 0 HA PRO A 83 7.026 -6.710 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.528 -9.433 0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.767 -8.577 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.524 -10.478 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.977 -10.055 1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.908 -9.039 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.493 -8.481 1.041 1.00 0.00 H new ATOM 1194 N ASP A 84 6.569 -7.596 -2.105 1.00 0.00 N ATOM 1195 CA ASP A 84 7.199 -7.828 -3.438 1.00 0.00 C ATOM 1196 C ASP A 84 7.157 -6.544 -4.273 1.00 0.00 C ATOM 1197 O ASP A 84 7.728 -6.472 -5.343 1.00 0.00 O ATOM 1198 CB ASP A 84 6.438 -8.936 -4.170 1.00 0.00 C ATOM 1199 CG ASP A 84 7.389 -10.095 -4.472 1.00 0.00 C ATOM 1200 OD1 ASP A 84 8.556 -9.832 -4.711 1.00 0.00 O ATOM 1201 OD2 ASP A 84 6.934 -11.228 -4.460 1.00 0.00 O ATOM 0 H ASP A 84 5.604 -7.266 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 84 8.238 -8.124 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.605 -9.285 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.013 -8.549 -5.096 1.00 0.00 H new ATOM 1206 N ILE A 85 6.488 -5.532 -3.797 1.00 0.00 N ATOM 1207 CA ILE A 85 6.410 -4.259 -4.563 1.00 0.00 C ATOM 1208 C ILE A 85 7.817 -3.737 -4.873 1.00 0.00 C ATOM 1209 O ILE A 85 8.803 -4.404 -4.630 1.00 0.00 O ATOM 1210 CB ILE A 85 5.625 -3.229 -3.742 1.00 0.00 C ATOM 1211 CG1 ILE A 85 6.373 -2.810 -2.459 1.00 0.00 C ATOM 1212 CG2 ILE A 85 4.277 -3.829 -3.346 1.00 0.00 C ATOM 1213 CD1 ILE A 85 7.311 -3.908 -1.933 1.00 0.00 C ATOM 0 H ILE A 85 5.990 -5.532 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 85 5.898 -4.434 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 85 5.497 -2.342 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.952 -1.909 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.647 -2.557 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.713 -3.102 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.716 -4.087 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.439 -4.727 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.810 -3.558 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.732 -4.802 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.057 -4.143 -2.692 1.00 0.00 H new ATOM 1225 N ASP A 86 7.921 -2.552 -5.406 1.00 0.00 N ATOM 1226 CA ASP A 86 9.266 -1.995 -5.723 1.00 0.00 C ATOM 1227 C ASP A 86 9.289 -0.505 -5.390 1.00 0.00 C ATOM 1228 O ASP A 86 8.604 0.290 -6.004 1.00 0.00 O ATOM 1229 CB ASP A 86 9.569 -2.191 -7.210 1.00 0.00 C ATOM 1230 CG ASP A 86 11.074 -2.046 -7.445 1.00 0.00 C ATOM 1231 OD1 ASP A 86 11.672 -1.188 -6.816 1.00 0.00 O ATOM 1232 OD2 ASP A 86 11.603 -2.794 -8.251 1.00 0.00 O ATOM 0 H ASP A 86 7.134 -1.945 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 86 10.020 -2.513 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.232 -3.176 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.025 -1.456 -7.803 1.00 0.00 H new ATOM 1237 N CYS A 87 10.067 -0.117 -4.418 1.00 0.00 N ATOM 1238 CA CYS A 87 10.124 1.321 -4.046 1.00 0.00 C ATOM 1239 C CYS A 87 11.170 2.034 -4.905 1.00 0.00 C ATOM 1240 O CYS A 87 11.111 3.230 -5.105 1.00 0.00 O ATOM 1241 CB CYS A 87 10.498 1.457 -2.569 1.00 0.00 C ATOM 1242 SG CYS A 87 9.588 0.229 -1.604 1.00 0.00 S ATOM 0 H CYS A 87 10.664 -0.734 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 87 9.147 1.774 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.571 1.315 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.264 2.461 -2.214 1.00 0.00 H new ATOM 1247 N SER A 88 12.128 1.311 -5.416 1.00 0.00 N ATOM 1248 CA SER A 88 13.172 1.955 -6.260 1.00 0.00 C ATOM 1249 C SER A 88 12.596 2.263 -7.643 1.00 0.00 C ATOM 1250 O SER A 88 13.074 3.132 -8.346 1.00 0.00 O ATOM 1251 CB SER A 88 14.365 1.017 -6.393 1.00 0.00 C ATOM 1252 OG SER A 88 15.523 1.656 -5.873 1.00 0.00 O ATOM 0 H SER A 88 12.233 0.305 -5.286 1.00 0.00 H new ATOM 0 HA SER A 88 13.496 2.885 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.175 0.089 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.520 0.753 -7.439 1.00 0.00 H new ATOM 0 HG SER A 88 16.293 1.055 -5.955 1.00 0.00 H new ATOM 1258 N ARG A 89 11.570 1.560 -8.038 1.00 0.00 N ATOM 1259 CA ARG A 89 10.958 1.812 -9.374 1.00 0.00 C ATOM 1260 C ARG A 89 9.704 2.672 -9.206 1.00 0.00 C ATOM 1261 O ARG A 89 8.734 2.520 -9.922 1.00 0.00 O ATOM 1262 CB ARG A 89 10.577 0.478 -10.018 1.00 0.00 C ATOM 1263 CG ARG A 89 11.836 -0.366 -10.227 1.00 0.00 C ATOM 1264 CD ARG A 89 12.360 -0.158 -11.649 1.00 0.00 C ATOM 1265 NE ARG A 89 13.845 -0.285 -11.654 1.00 0.00 N ATOM 1266 CZ ARG A 89 14.415 -1.258 -12.311 1.00 0.00 C ATOM 1267 NH1 ARG A 89 13.790 -2.393 -12.467 1.00 0.00 N ATOM 1268 NH2 ARG A 89 15.609 -1.096 -12.812 1.00 0.00 N ATOM 0 H ARG A 89 11.128 0.820 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 89 11.674 2.333 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.870 -0.056 -9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.080 0.652 -10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.600 -0.085 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.612 -1.420 -10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.919 -0.893 -12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.067 0.826 -12.016 1.00 0.00 H new ATOM 0 HE ARG A 89 14.416 0.389 -11.144 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.857 -2.519 -12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.235 -3.154 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.097 -0.209 -12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.054 -1.857 -13.325 1.00 0.00 H new ATOM 1282 N ILE A 90 9.716 3.576 -8.265 1.00 0.00 N ATOM 1283 CA ILE A 90 8.525 4.446 -8.051 1.00 0.00 C ATOM 1284 C ILE A 90 8.655 5.707 -8.907 1.00 0.00 C ATOM 1285 O ILE A 90 9.654 6.397 -8.864 1.00 0.00 O ATOM 1286 CB ILE A 90 8.437 4.842 -6.577 1.00 0.00 C ATOM 1287 CG1 ILE A 90 8.383 3.583 -5.709 1.00 0.00 C ATOM 1288 CG2 ILE A 90 7.177 5.679 -6.347 1.00 0.00 C ATOM 1289 CD1 ILE A 90 8.481 3.980 -4.236 1.00 0.00 C ATOM 0 H ILE A 90 10.499 3.750 -7.635 1.00 0.00 H new ATOM 0 HA ILE A 90 7.624 3.902 -8.335 1.00 0.00 H new ATOM 0 HB ILE A 90 9.315 5.428 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.454 3.042 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.200 2.911 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.114 5.961 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.220 6.578 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.298 5.095 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 90 8.443 3.085 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.421 4.503 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.649 4.635 -3.980 1.00 0.00 H new ATOM 1301 N TYR A 91 7.653 6.015 -9.684 1.00 0.00 N ATOM 1302 CA TYR A 91 7.724 7.233 -10.539 1.00 0.00 C ATOM 1303 C TYR A 91 6.742 8.283 -10.013 1.00 0.00 C ATOM 1304 O TYR A 91 6.585 9.299 -10.670 1.00 0.00 O ATOM 1305 CB TYR A 91 7.356 6.868 -11.978 1.00 0.00 C ATOM 1306 CG TYR A 91 8.128 5.641 -12.404 1.00 0.00 C ATOM 1307 CD1 TYR A 91 9.479 5.749 -12.752 1.00 0.00 C ATOM 1308 CD2 TYR A 91 7.489 4.396 -12.454 1.00 0.00 C ATOM 1309 CE1 TYR A 91 10.192 4.612 -13.151 1.00 0.00 C ATOM 1310 CE2 TYR A 91 8.202 3.259 -12.852 1.00 0.00 C ATOM 1311 CZ TYR A 91 9.553 3.366 -13.201 1.00 0.00 C ATOM 1312 OH TYR A 91 10.255 2.245 -13.595 1.00 0.00 O ATOM 1313 OXT TYR A 91 6.166 8.054 -8.962 1.00 0.00 O ATOM 0 H TYR A 91 6.790 5.477 -9.764 1.00 0.00 H new ATOM 0 HA TYR A 91 8.736 7.636 -10.514 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.285 6.680 -12.053 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.581 7.701 -12.644 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.972 6.709 -12.713 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.446 4.313 -12.186 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.235 4.695 -13.420 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.709 2.299 -12.890 1.00 0.00 H new ATOM 0 HH TYR A 91 9.663 1.464 -13.573 1.00 0.00 H new TER 1323 TYR A 91