USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 629 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 8 CYS SG : rot 149:sc= -4.47 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -2.93! C(o=-18!,f=-22!) USER MOD Set 1.3: A 83 CYS SG : rot -158:sc= -4.43 USER MOD Set 1.4: A 86 CYS SG : rot 136:sc= -6.03! USER MOD Set 2.1: A 75 ASN : amide:sc= -2.61! C(o=-7.4!,f=-18!) USER MOD Set 2.2: A 77 THR OG1 : rot 82:sc= -4.76! USER MOD Set 3.1: A 43 CYS SG : rot 135:sc= -1.36 USER MOD Set 3.2: A 45 GLN : amide:sc= -5.03 K(o=-14,f=-15) USER MOD Set 3.3: A 48 CYS SG : rot -148:sc= 0.136 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -2.85 K(o=-14,f=-17) USER MOD Set 3.5: A 68 LYS NZ :NH3+ -176:sc= -0.578 (180deg=-0.914) USER MOD Set 3.6: A 70 HIS : no HE2:sc= -4.35 K(o=-14,f=-13) USER MOD Set 4.1: A 30 CYS SG : rot -154:sc= -0.613! USER MOD Set 4.2: A 32 SER OG : rot 150:sc= -0.714 USER MOD Set 4.3: A 33 CYS SG : rot -154:sc= 0.155 USER MOD Set 4.4: A 53 CYS SG : rot -117:sc= 1.68 USER MOD Set 4.5: A 60 HIS : no HE2:sc= -5.68! K(o=-5.2!,f=0.26) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 1.39 (180deg=0.368) USER MOD Single : A 26 SER OG : rot -51:sc= -0.733 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 31 GLN : amide:sc= -6.11! C(o=-6.1!,f=-8.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.998! USER MOD Single : A 39 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.33) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -1.53! USER MOD Single : A 61 SER OG : rot -112:sc= -0.563 USER MOD Single : A 62 THR OG1 : rot -94:sc= 0.558 USER MOD Single : A 66 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.76) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.422) USER MOD Single : A 71 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.4!) USER MOD Single : A 73 THR OG1 : rot 21:sc= 0.294 USER MOD Single : A 78 THR OG1 : rot 140:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -113:sc= -0.212 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.617 0.825 4.477 1.00 0.00 N ATOM 85 CA LEU A 7 12.357 -0.017 3.275 1.00 0.00 C ATOM 86 C LEU A 7 12.004 -1.445 3.718 1.00 0.00 C ATOM 87 O LEU A 7 12.349 -1.869 4.803 1.00 0.00 O ATOM 88 CB LEU A 7 13.601 0.017 2.352 1.00 0.00 C ATOM 89 CG LEU A 7 14.503 -1.228 2.511 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.819 -1.497 3.991 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.834 -2.460 1.874 1.00 0.00 C ATOM 0 HA LEU A 7 11.510 0.371 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.275 0.093 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.184 0.912 2.570 1.00 0.00 H new ATOM 0 HG LEU A 7 15.443 -1.032 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.455 -2.378 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.336 -0.636 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.891 -1.668 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.482 -3.329 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.879 -2.649 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.668 -2.276 0.813 1.00 0.00 H new ATOM 103 N CYS A 8 11.305 -2.181 2.889 1.00 0.00 N ATOM 104 CA CYS A 8 10.915 -3.580 3.251 1.00 0.00 C ATOM 105 C CYS A 8 11.444 -4.542 2.178 1.00 0.00 C ATOM 106 O CYS A 8 11.734 -4.146 1.069 1.00 0.00 O ATOM 107 CB CYS A 8 9.376 -3.687 3.352 1.00 0.00 C ATOM 108 SG CYS A 8 8.754 -4.991 2.242 1.00 0.00 S ATOM 0 H CYS A 8 10.986 -1.871 1.971 1.00 0.00 H new ATOM 0 HA CYS A 8 11.346 -3.844 4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.087 -3.908 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.921 -2.731 3.091 1.00 0.00 H new ATOM 0 HG CYS A 8 7.691 -5.531 2.760 1.00 0.00 H new ATOM 113 N PRO A 9 11.575 -5.796 2.512 1.00 0.00 N ATOM 114 CA PRO A 9 12.083 -6.843 1.570 1.00 0.00 C ATOM 115 C PRO A 9 11.255 -6.896 0.284 1.00 0.00 C ATOM 116 O PRO A 9 11.763 -6.758 -0.810 1.00 0.00 O ATOM 117 CB PRO A 9 11.919 -8.151 2.363 1.00 0.00 C ATOM 118 CG PRO A 9 10.952 -7.820 3.449 1.00 0.00 C ATOM 119 CD PRO A 9 11.243 -6.374 3.815 1.00 0.00 C ATOM 0 HA PRO A 9 13.108 -6.650 1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.542 -8.953 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.872 -8.488 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.923 -7.941 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.084 -8.478 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.381 -5.886 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.068 -6.289 4.522 1.00 0.00 H new ATOM 127 N HIS A 10 9.976 -7.096 0.425 1.00 0.00 N ATOM 128 CA HIS A 10 9.084 -7.161 -0.771 1.00 0.00 C ATOM 129 C HIS A 10 8.874 -5.749 -1.313 1.00 0.00 C ATOM 130 O HIS A 10 8.176 -5.539 -2.285 1.00 0.00 O ATOM 131 CB HIS A 10 7.731 -7.778 -0.379 1.00 0.00 C ATOM 132 CG HIS A 10 7.947 -8.820 0.682 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.009 -8.510 2.040 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.120 -10.179 0.596 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.212 -9.669 2.699 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.287 -10.707 1.868 1.00 0.00 N ATOM 0 H HIS A 10 9.505 -7.218 1.321 1.00 0.00 H new ATOM 0 HA HIS A 10 9.544 -7.782 -1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.058 -7.003 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.256 -8.225 -1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.125 -10.750 -0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.303 -9.746 3.772 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.436 -11.685 2.115 1.00 0.00 H new ATOM 144 N LEU A 11 9.479 -4.781 -0.688 1.00 0.00 N ATOM 145 CA LEU A 11 9.326 -3.377 -1.153 1.00 0.00 C ATOM 146 C LEU A 11 10.088 -3.187 -2.466 1.00 0.00 C ATOM 147 O LEU A 11 9.774 -2.320 -3.257 1.00 0.00 O ATOM 148 CB LEU A 11 9.880 -2.439 -0.078 1.00 0.00 C ATOM 149 CG LEU A 11 9.393 -0.999 -0.321 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.067 -0.324 1.017 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.486 -0.200 -1.041 1.00 0.00 C ATOM 0 H LEU A 11 10.076 -4.903 0.130 1.00 0.00 H new ATOM 0 HA LEU A 11 8.274 -3.151 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.561 -2.776 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.970 -2.468 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 11 8.495 -1.027 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.723 0.694 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.285 -0.886 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.961 -0.300 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.139 0.819 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.386 -0.179 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.711 -0.672 -1.997 1.00 0.00 H new ATOM 163 N ASP A 12 11.083 -3.996 -2.706 1.00 0.00 N ATOM 164 CA ASP A 12 11.860 -3.870 -3.972 1.00 0.00 C ATOM 165 C ASP A 12 11.192 -4.710 -5.064 1.00 0.00 C ATOM 166 O ASP A 12 11.403 -4.500 -6.241 1.00 0.00 O ATOM 167 CB ASP A 12 13.282 -4.381 -3.745 1.00 0.00 C ATOM 168 CG ASP A 12 14.137 -4.081 -4.977 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.870 -3.106 -4.942 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.045 -4.831 -5.935 1.00 0.00 O ATOM 0 H ASP A 12 11.392 -4.740 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 12 11.889 -2.825 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.714 -3.905 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.267 -5.454 -3.552 1.00 0.00 H new ATOM 175 N SER A 13 10.397 -5.670 -4.677 1.00 0.00 N ATOM 176 CA SER A 13 9.723 -6.540 -5.683 1.00 0.00 C ATOM 177 C SER A 13 8.466 -5.850 -6.228 1.00 0.00 C ATOM 178 O SER A 13 7.970 -6.194 -7.282 1.00 0.00 O ATOM 179 CB SER A 13 9.326 -7.860 -5.019 1.00 0.00 C ATOM 180 OG SER A 13 8.971 -8.802 -6.023 1.00 0.00 O ATOM 0 H SER A 13 10.184 -5.890 -3.704 1.00 0.00 H new ATOM 0 HA SER A 13 10.410 -6.727 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.153 -8.243 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.488 -7.701 -4.340 1.00 0.00 H new ATOM 0 HG SER A 13 8.717 -9.650 -5.601 1.00 0.00 H new ATOM 186 N ILE A 14 7.941 -4.889 -5.518 1.00 0.00 N ATOM 187 CA ILE A 14 6.710 -4.193 -5.999 1.00 0.00 C ATOM 188 C ILE A 14 7.087 -3.020 -6.913 1.00 0.00 C ATOM 189 O ILE A 14 6.256 -2.477 -7.610 1.00 0.00 O ATOM 190 CB ILE A 14 5.941 -3.655 -4.797 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.889 -2.838 -3.915 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.374 -4.827 -3.987 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.082 -1.869 -3.050 1.00 0.00 C ATOM 0 H ILE A 14 8.309 -4.555 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 14 6.096 -4.900 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 14 5.123 -3.022 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.476 -3.503 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.594 -2.285 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.824 -4.443 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.703 -5.412 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.192 -5.460 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.760 -1.289 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.515 -1.195 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.395 -2.431 -2.417 1.00 0.00 H new ATOM 205 N GLY A 15 8.328 -2.618 -6.910 1.00 0.00 N ATOM 206 CA GLY A 15 8.741 -1.475 -7.777 1.00 0.00 C ATOM 207 C GLY A 15 7.793 -0.292 -7.550 1.00 0.00 C ATOM 208 O GLY A 15 6.891 -0.356 -6.738 1.00 0.00 O ATOM 0 H GLY A 15 9.073 -3.029 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.766 -1.183 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.722 -1.774 -8.825 1.00 0.00 H new ATOM 212 N GLU A 16 7.990 0.791 -8.260 1.00 0.00 N ATOM 213 CA GLU A 16 7.100 1.978 -8.081 1.00 0.00 C ATOM 214 C GLU A 16 6.014 1.975 -9.161 1.00 0.00 C ATOM 215 O GLU A 16 6.281 1.766 -10.327 1.00 0.00 O ATOM 216 CB GLU A 16 7.931 3.268 -8.193 1.00 0.00 C ATOM 217 CG GLU A 16 7.005 4.476 -8.431 1.00 0.00 C ATOM 218 CD GLU A 16 6.789 4.681 -9.934 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.178 5.676 -10.293 1.00 0.00 O ATOM 220 OE2 GLU A 16 7.238 3.846 -10.701 1.00 0.00 O ATOM 0 H GLU A 16 8.728 0.904 -8.955 1.00 0.00 H new ATOM 0 HA GLU A 16 6.633 1.932 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.509 3.417 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.645 3.180 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.047 4.314 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.443 5.373 -7.992 1.00 0.00 H new ATOM 227 N VAL A 17 4.790 2.217 -8.775 1.00 0.00 N ATOM 228 CA VAL A 17 3.677 2.249 -9.767 1.00 0.00 C ATOM 229 C VAL A 17 3.404 3.706 -10.140 1.00 0.00 C ATOM 230 O VAL A 17 4.150 4.592 -9.773 1.00 0.00 O ATOM 231 CB VAL A 17 2.420 1.634 -9.147 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.593 0.118 -9.038 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.198 2.223 -7.753 1.00 0.00 C ATOM 0 H VAL A 17 4.512 2.395 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 17 3.950 1.679 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 17 1.559 1.857 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.698 -0.320 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.750 -0.303 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.454 -0.106 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.303 1.785 -7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.059 2.001 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.073 3.303 -7.830 1.00 0.00 H new ATOM 243 N THR A 18 2.346 3.976 -10.853 1.00 0.00 N ATOM 244 CA THR A 18 2.062 5.390 -11.216 1.00 0.00 C ATOM 245 C THR A 18 1.779 6.165 -9.932 1.00 0.00 C ATOM 246 O THR A 18 0.996 5.750 -9.102 1.00 0.00 O ATOM 247 CB THR A 18 0.844 5.447 -12.154 1.00 0.00 C ATOM 248 OG1 THR A 18 0.272 4.151 -12.259 1.00 0.00 O ATOM 249 CG2 THR A 18 1.279 5.922 -13.544 1.00 0.00 C ATOM 0 H THR A 18 1.675 3.289 -11.196 1.00 0.00 H new ATOM 0 HA THR A 18 2.915 5.830 -11.732 1.00 0.00 H new ATOM 0 HB THR A 18 0.110 6.144 -11.749 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.506 4.184 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.412 5.960 -14.203 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.721 6.916 -13.467 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.015 5.229 -13.952 1.00 0.00 H new ATOM 257 N LYS A 19 2.406 7.291 -9.761 1.00 0.00 N ATOM 258 CA LYS A 19 2.165 8.093 -8.531 1.00 0.00 C ATOM 259 C LYS A 19 0.680 8.410 -8.494 1.00 0.00 C ATOM 260 O LYS A 19 -0.021 8.068 -7.562 1.00 0.00 O ATOM 261 CB LYS A 19 2.998 9.385 -8.576 1.00 0.00 C ATOM 262 CG LYS A 19 3.958 9.341 -9.774 1.00 0.00 C ATOM 263 CD LYS A 19 5.230 10.139 -9.461 1.00 0.00 C ATOM 264 CE LYS A 19 6.263 9.218 -8.799 1.00 0.00 C ATOM 265 NZ LYS A 19 7.326 10.044 -8.160 1.00 0.00 N ATOM 0 H LYS A 19 3.075 7.692 -10.418 1.00 0.00 H new ATOM 0 HA LYS A 19 2.460 7.544 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.340 10.250 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.562 9.498 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.216 8.307 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.469 9.753 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.640 10.564 -10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.995 10.973 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.779 8.588 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.702 8.552 -9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.027 9.421 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.794 10.627 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.900 10.661 -7.440 1.00 0.00 H new ATOM 279 N GLU A 20 0.191 9.027 -9.532 1.00 0.00 N ATOM 280 CA GLU A 20 -1.253 9.330 -9.607 1.00 0.00 C ATOM 281 C GLU A 20 -2.009 8.083 -9.158 1.00 0.00 C ATOM 282 O GLU A 20 -3.018 8.158 -8.496 1.00 0.00 O ATOM 283 CB GLU A 20 -1.612 9.690 -11.050 1.00 0.00 C ATOM 284 CG GLU A 20 -3.125 9.533 -11.300 1.00 0.00 C ATOM 285 CD GLU A 20 -3.366 8.444 -12.351 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.765 7.388 -12.230 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.146 8.684 -13.256 1.00 0.00 O ATOM 0 H GLU A 20 0.739 9.335 -10.335 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.518 10.172 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.310 10.717 -11.258 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.058 9.050 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.632 9.273 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.547 10.479 -11.639 1.00 0.00 H new ATOM 294 N ASP A 21 -1.505 6.927 -9.492 1.00 0.00 N ATOM 295 CA ASP A 21 -2.192 5.681 -9.054 1.00 0.00 C ATOM 296 C ASP A 21 -2.436 5.781 -7.551 1.00 0.00 C ATOM 297 O ASP A 21 -3.486 5.429 -7.054 1.00 0.00 O ATOM 298 CB ASP A 21 -1.317 4.459 -9.365 1.00 0.00 C ATOM 299 CG ASP A 21 -2.203 3.223 -9.545 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.201 3.331 -10.239 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.867 2.192 -8.988 1.00 0.00 O ATOM 0 H ASP A 21 -0.657 6.792 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.138 5.566 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.736 4.637 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.605 4.294 -8.556 1.00 0.00 H new ATOM 306 N LEU A 22 -1.477 6.290 -6.831 1.00 0.00 N ATOM 307 CA LEU A 22 -1.649 6.444 -5.361 1.00 0.00 C ATOM 308 C LEU A 22 -2.580 7.621 -5.107 1.00 0.00 C ATOM 309 O LEU A 22 -3.199 7.737 -4.068 1.00 0.00 O ATOM 310 CB LEU A 22 -0.289 6.701 -4.703 1.00 0.00 C ATOM 311 CG LEU A 22 0.784 5.864 -5.404 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.114 6.019 -4.664 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.369 4.392 -5.401 1.00 0.00 C ATOM 0 H LEU A 22 -0.580 6.607 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.074 5.535 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.037 7.760 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.331 6.445 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 22 0.896 6.207 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.879 5.423 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.412 7.068 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.000 5.677 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.134 3.797 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.256 4.048 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.579 4.280 -5.928 1.00 0.00 H new ATOM 325 N LEU A 23 -2.682 8.490 -6.065 1.00 0.00 N ATOM 326 CA LEU A 23 -3.570 9.668 -5.923 1.00 0.00 C ATOM 327 C LEU A 23 -5.011 9.231 -6.191 1.00 0.00 C ATOM 328 O LEU A 23 -5.874 9.402 -5.353 1.00 0.00 O ATOM 329 CB LEU A 23 -3.113 10.728 -6.930 1.00 0.00 C ATOM 330 CG LEU A 23 -1.609 10.999 -6.731 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.189 12.218 -7.567 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.319 11.279 -5.250 1.00 0.00 C ATOM 0 H LEU A 23 -2.181 8.434 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.522 10.088 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.302 10.386 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.682 11.647 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.046 10.122 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.125 12.408 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.385 12.021 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.759 13.091 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.254 11.470 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.887 12.152 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.610 10.415 -4.653 1.00 0.00 H new ATOM 344 N LEU A 24 -5.289 8.641 -7.325 1.00 0.00 N ATOM 345 CA LEU A 24 -6.681 8.186 -7.563 1.00 0.00 C ATOM 346 C LEU A 24 -7.027 7.176 -6.485 1.00 0.00 C ATOM 347 O LEU A 24 -8.081 7.236 -5.905 1.00 0.00 O ATOM 348 CB LEU A 24 -6.845 7.548 -8.946 1.00 0.00 C ATOM 349 CG LEU A 24 -5.940 6.314 -9.102 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.746 5.036 -8.840 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.398 6.271 -10.536 1.00 0.00 C ATOM 0 H LEU A 24 -4.626 8.460 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.350 9.046 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.886 7.260 -9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.603 8.279 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.120 6.378 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.097 4.167 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.147 5.060 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.567 4.971 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.755 5.399 -10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.230 6.208 -11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.823 7.176 -10.735 1.00 0.00 H new ATOM 363 N LYS A 25 -6.138 6.263 -6.180 1.00 0.00 N ATOM 364 CA LYS A 25 -6.446 5.284 -5.101 1.00 0.00 C ATOM 365 C LYS A 25 -6.974 6.080 -3.907 1.00 0.00 C ATOM 366 O LYS A 25 -7.966 5.738 -3.296 1.00 0.00 O ATOM 367 CB LYS A 25 -5.174 4.521 -4.714 1.00 0.00 C ATOM 368 CG LYS A 25 -4.907 3.409 -5.739 1.00 0.00 C ATOM 369 CD LYS A 25 -3.464 2.911 -5.607 1.00 0.00 C ATOM 370 CE LYS A 25 -3.307 1.593 -6.369 1.00 0.00 C ATOM 371 NZ LYS A 25 -1.899 1.119 -6.256 1.00 0.00 N ATOM 0 H LYS A 25 -5.227 6.156 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.186 4.555 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.326 5.204 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.284 4.092 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.601 2.584 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.080 3.784 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.773 3.656 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.212 2.768 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.988 0.844 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.572 1.733 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.480 1.047 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.350 1.794 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.883 0.185 -5.798 1.00 0.00 H new ATOM 385 N SER A 26 -6.320 7.168 -3.602 1.00 0.00 N ATOM 386 CA SER A 26 -6.760 8.044 -2.486 1.00 0.00 C ATOM 387 C SER A 26 -8.067 8.740 -2.892 1.00 0.00 C ATOM 388 O SER A 26 -8.497 9.687 -2.263 1.00 0.00 O ATOM 389 CB SER A 26 -5.681 9.106 -2.234 1.00 0.00 C ATOM 390 OG SER A 26 -5.779 9.569 -0.893 1.00 0.00 O ATOM 0 H SER A 26 -5.484 7.490 -4.090 1.00 0.00 H new ATOM 0 HA SER A 26 -6.917 7.455 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.692 8.685 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.804 9.938 -2.928 1.00 0.00 H new ATOM 0 HG SER A 26 -6.705 9.827 -0.703 1.00 0.00 H new ATOM 396 N LYS A 27 -8.680 8.306 -3.964 1.00 0.00 N ATOM 397 CA LYS A 27 -9.929 8.977 -4.432 1.00 0.00 C ATOM 398 C LYS A 27 -10.896 9.179 -3.262 1.00 0.00 C ATOM 399 O LYS A 27 -11.387 10.272 -3.056 1.00 0.00 O ATOM 400 CB LYS A 27 -10.606 8.157 -5.546 1.00 0.00 C ATOM 401 CG LYS A 27 -10.463 6.648 -5.290 1.00 0.00 C ATOM 402 CD LYS A 27 -11.745 5.928 -5.714 1.00 0.00 C ATOM 403 CE LYS A 27 -11.917 6.065 -7.228 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.147 5.341 -7.657 1.00 0.00 N ATOM 0 H LYS A 27 -8.370 7.518 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.660 9.952 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.662 8.420 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.161 8.409 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.612 6.254 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.265 6.466 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.695 4.876 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.605 6.355 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.987 7.117 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.046 5.659 -7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.264 5.434 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.062 4.335 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.975 5.748 -7.177 1.00 0.00 H new ATOM 418 N GLY A 28 -11.171 8.168 -2.477 1.00 0.00 N ATOM 419 CA GLY A 28 -12.094 8.379 -1.330 1.00 0.00 C ATOM 420 C GLY A 28 -12.986 7.165 -1.117 1.00 0.00 C ATOM 421 O GLY A 28 -13.912 7.211 -0.339 1.00 0.00 O ATOM 0 H GLY A 28 -10.802 7.223 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.517 8.574 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.710 9.260 -1.512 1.00 0.00 H new ATOM 425 N THR A 29 -12.742 6.083 -1.797 1.00 0.00 N ATOM 426 CA THR A 29 -13.618 4.902 -1.590 1.00 0.00 C ATOM 427 C THR A 29 -12.927 3.610 -2.058 1.00 0.00 C ATOM 428 O THR A 29 -12.152 3.607 -2.993 1.00 0.00 O ATOM 429 CB THR A 29 -14.908 5.118 -2.384 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.749 6.244 -3.237 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.086 5.364 -1.435 1.00 0.00 C ATOM 0 H THR A 29 -11.989 5.966 -2.475 1.00 0.00 H new ATOM 0 HA THR A 29 -13.835 4.795 -0.527 1.00 0.00 H new ATOM 0 HB THR A 29 -15.113 4.226 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.573 6.385 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.996 5.516 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.213 4.501 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.889 6.250 -0.832 1.00 0.00 H new ATOM 439 N CYS A 30 -13.245 2.507 -1.430 1.00 0.00 N ATOM 440 CA CYS A 30 -12.660 1.193 -1.842 1.00 0.00 C ATOM 441 C CYS A 30 -13.179 0.870 -3.243 1.00 0.00 C ATOM 442 O CYS A 30 -14.353 1.017 -3.520 1.00 0.00 O ATOM 443 CB CYS A 30 -13.114 0.095 -0.864 1.00 0.00 C ATOM 444 SG CYS A 30 -12.573 -1.535 -1.458 1.00 0.00 S ATOM 0 H CYS A 30 -13.891 2.459 -0.642 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.571 1.242 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.700 0.285 0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.199 0.112 -0.764 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.365 -2.453 -0.988 1.00 0.00 H new ATOM 449 N GLN A 31 -12.333 0.441 -4.137 1.00 0.00 N ATOM 450 CA GLN A 31 -12.827 0.136 -5.509 1.00 0.00 C ATOM 451 C GLN A 31 -13.597 -1.181 -5.494 1.00 0.00 C ATOM 452 O GLN A 31 -14.207 -1.567 -6.471 1.00 0.00 O ATOM 453 CB GLN A 31 -11.656 0.034 -6.488 1.00 0.00 C ATOM 454 CG GLN A 31 -10.699 -1.088 -6.066 1.00 0.00 C ATOM 455 CD GLN A 31 -11.270 -2.444 -6.484 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.191 -2.512 -7.275 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.760 -3.535 -5.983 1.00 0.00 N ATOM 0 H GLN A 31 -11.336 0.290 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.486 0.942 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.031 -0.158 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.120 0.983 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.723 -0.937 -6.526 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.550 -1.064 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.987 -3.479 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.134 -4.444 -6.255 1.00 0.00 H new ATOM 466 N SER A 32 -13.572 -1.875 -4.390 1.00 0.00 N ATOM 467 CA SER A 32 -14.302 -3.171 -4.298 1.00 0.00 C ATOM 468 C SER A 32 -15.455 -3.038 -3.302 1.00 0.00 C ATOM 469 O SER A 32 -16.386 -3.820 -3.310 1.00 0.00 O ATOM 470 CB SER A 32 -13.335 -4.254 -3.820 1.00 0.00 C ATOM 471 OG SER A 32 -13.991 -5.515 -3.848 1.00 0.00 O ATOM 0 H SER A 32 -13.075 -1.599 -3.543 1.00 0.00 H new ATOM 0 HA SER A 32 -14.701 -3.440 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.452 -4.276 -4.458 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.993 -4.032 -2.809 1.00 0.00 H new ATOM 0 HG SER A 32 -13.334 -6.222 -4.019 1.00 0.00 H new ATOM 477 N CYS A 33 -15.401 -2.052 -2.441 1.00 0.00 N ATOM 478 CA CYS A 33 -16.494 -1.866 -1.440 1.00 0.00 C ATOM 479 C CYS A 33 -17.028 -0.437 -1.512 1.00 0.00 C ATOM 480 O CYS A 33 -18.135 -0.161 -1.091 1.00 0.00 O ATOM 481 CB CYS A 33 -15.949 -2.123 -0.033 1.00 0.00 C ATOM 482 SG CYS A 33 -15.182 -3.754 0.022 1.00 0.00 S ATOM 0 H CYS A 33 -14.646 -1.368 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.299 -2.567 -1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.220 -1.357 0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.755 -2.063 0.698 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.223 -4.212 1.238 1.00 0.00 H new ATOM 487 N GLY A 34 -16.256 0.486 -2.022 1.00 0.00 N ATOM 488 CA GLY A 34 -16.746 1.889 -2.085 1.00 0.00 C ATOM 489 C GLY A 34 -17.226 2.290 -0.691 1.00 0.00 C ATOM 490 O GLY A 34 -18.403 2.472 -0.453 1.00 0.00 O ATOM 0 H GLY A 34 -15.319 0.330 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.950 2.555 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.558 1.976 -2.806 1.00 0.00 H new ATOM 494 N VAL A 35 -16.315 2.389 0.242 1.00 0.00 N ATOM 495 CA VAL A 35 -16.700 2.732 1.644 1.00 0.00 C ATOM 496 C VAL A 35 -16.285 4.163 2.017 1.00 0.00 C ATOM 497 O VAL A 35 -17.042 4.867 2.653 1.00 0.00 O ATOM 498 CB VAL A 35 -16.034 1.724 2.588 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.706 0.353 2.407 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.545 1.611 2.252 1.00 0.00 C ATOM 0 H VAL A 35 -15.316 2.246 0.093 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.785 2.682 1.734 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.144 2.058 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.240 -0.372 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.767 0.434 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.589 0.024 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.074 0.894 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.429 1.273 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.070 2.585 2.370 1.00 0.00 H new ATOM 510 N THR A 36 -15.110 4.613 1.642 1.00 0.00 N ATOM 511 CA THR A 36 -14.706 6.004 2.011 1.00 0.00 C ATOM 512 C THR A 36 -13.204 6.184 1.796 1.00 0.00 C ATOM 513 O THR A 36 -12.525 5.297 1.327 1.00 0.00 O ATOM 514 CB THR A 36 -15.034 6.277 3.487 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.205 7.329 3.962 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.782 5.018 4.328 1.00 0.00 C ATOM 0 H THR A 36 -14.423 4.084 1.104 1.00 0.00 H new ATOM 0 HA THR A 36 -15.255 6.703 1.380 1.00 0.00 H new ATOM 0 HB THR A 36 -16.084 6.558 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.411 7.509 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.018 5.224 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.414 4.207 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.735 4.728 4.243 1.00 0.00 H new ATOM 524 N GLY A 37 -12.689 7.339 2.130 1.00 0.00 N ATOM 525 CA GLY A 37 -11.235 7.609 1.943 1.00 0.00 C ATOM 526 C GLY A 37 -10.464 7.309 3.224 1.00 0.00 C ATOM 527 O GLY A 37 -9.653 6.407 3.272 1.00 0.00 O ATOM 0 H GLY A 37 -13.220 8.113 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.848 6.998 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.087 8.651 1.658 1.00 0.00 H new ATOM 531 N PRO A 38 -10.691 8.069 4.256 1.00 0.00 N ATOM 532 CA PRO A 38 -9.986 7.873 5.536 1.00 0.00 C ATOM 533 C PRO A 38 -9.914 6.400 5.929 1.00 0.00 C ATOM 534 O PRO A 38 -10.901 5.693 5.946 1.00 0.00 O ATOM 535 CB PRO A 38 -10.792 8.671 6.565 1.00 0.00 C ATOM 536 CG PRO A 38 -11.926 9.321 5.819 1.00 0.00 C ATOM 537 CD PRO A 38 -11.630 9.191 4.321 1.00 0.00 C ATOM 0 HA PRO A 38 -8.951 8.209 5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.170 8.017 7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.167 9.422 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.872 8.840 6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.019 10.370 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.536 8.991 3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.193 10.104 3.917 1.00 0.00 H new ATOM 545 N ASN A 39 -8.743 5.949 6.243 1.00 0.00 N ATOM 546 CA ASN A 39 -8.552 4.529 6.644 1.00 0.00 C ATOM 547 C ASN A 39 -8.621 3.619 5.415 1.00 0.00 C ATOM 548 O ASN A 39 -8.935 2.451 5.522 1.00 0.00 O ATOM 549 CB ASN A 39 -9.634 4.119 7.654 1.00 0.00 C ATOM 550 CG ASN A 39 -8.997 3.348 8.813 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.436 3.938 9.716 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.059 2.045 8.827 1.00 0.00 N ATOM 0 H ASN A 39 -7.891 6.510 6.240 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.571 4.425 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.146 5.004 8.032 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.386 3.501 7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.637 1.523 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.529 1.549 8.070 1.00 0.00 H new ATOM 559 N LEU A 40 -8.315 4.127 4.252 1.00 0.00 N ATOM 560 CA LEU A 40 -8.355 3.256 3.044 1.00 0.00 C ATOM 561 C LEU A 40 -7.050 2.461 2.979 1.00 0.00 C ATOM 562 O LEU A 40 -6.155 2.650 3.778 1.00 0.00 O ATOM 563 CB LEU A 40 -8.486 4.105 1.765 1.00 0.00 C ATOM 564 CG LEU A 40 -9.956 4.308 1.357 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.988 4.936 -0.039 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.704 2.966 1.311 1.00 0.00 C ATOM 0 H LEU A 40 -8.042 5.096 4.087 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.215 2.590 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.016 5.076 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.947 3.620 0.951 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.441 4.953 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.023 5.088 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.471 5.895 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.493 4.272 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.740 3.137 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.227 2.308 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.676 2.500 2.296 1.00 0.00 H new ATOM 578 N TRP A 41 -6.933 1.581 2.030 1.00 0.00 N ATOM 579 CA TRP A 41 -5.681 0.782 1.904 1.00 0.00 C ATOM 580 C TRP A 41 -5.612 0.181 0.500 1.00 0.00 C ATOM 581 O TRP A 41 -6.192 -0.850 0.223 1.00 0.00 O ATOM 582 CB TRP A 41 -5.672 -0.332 2.961 1.00 0.00 C ATOM 583 CG TRP A 41 -4.449 -0.211 3.819 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.186 -0.060 3.357 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.350 -0.228 5.274 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.321 0.017 4.433 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.991 -0.083 5.636 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.300 -0.355 6.303 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.589 -0.063 6.973 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.899 -0.335 7.649 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.546 -0.191 7.982 1.00 0.00 C ATOM 0 H TRP A 41 -7.650 1.378 1.333 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.814 1.422 2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.568 -0.267 3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.691 -1.307 2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.900 -0.008 2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.311 0.133 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.345 -0.469 6.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.545 0.051 7.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.638 -0.431 8.431 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.243 -0.179 9.019 1.00 0.00 H new ATOM 602 N ALA A 42 -4.919 0.830 -0.393 1.00 0.00 N ATOM 603 CA ALA A 42 -4.825 0.311 -1.782 1.00 0.00 C ATOM 604 C ALA A 42 -3.588 -0.570 -1.946 1.00 0.00 C ATOM 605 O ALA A 42 -2.539 -0.308 -1.391 1.00 0.00 O ATOM 606 CB ALA A 42 -4.734 1.489 -2.748 1.00 0.00 C ATOM 0 H ALA A 42 -4.413 1.699 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.711 -0.287 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.665 1.117 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.623 2.111 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.849 2.082 -2.517 1.00 0.00 H new ATOM 612 N CYS A 43 -3.711 -1.610 -2.723 1.00 0.00 N ATOM 613 CA CYS A 43 -2.558 -2.518 -2.961 1.00 0.00 C ATOM 614 C CYS A 43 -1.423 -1.726 -3.609 1.00 0.00 C ATOM 615 O CYS A 43 -1.654 -0.740 -4.280 1.00 0.00 O ATOM 616 CB CYS A 43 -2.991 -3.642 -3.895 1.00 0.00 C ATOM 617 SG CYS A 43 -1.817 -5.011 -3.782 1.00 0.00 S ATOM 0 H CYS A 43 -4.570 -1.871 -3.207 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.216 -2.940 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.991 -3.984 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.042 -3.277 -4.921 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.467 -6.133 -3.691 1.00 0.00 H new ATOM 622 N LEU A 44 -0.201 -2.135 -3.404 1.00 0.00 N ATOM 623 CA LEU A 44 0.941 -1.386 -4.001 1.00 0.00 C ATOM 624 C LEU A 44 1.931 -2.348 -4.660 1.00 0.00 C ATOM 625 O LEU A 44 3.126 -2.196 -4.523 1.00 0.00 O ATOM 626 CB LEU A 44 1.652 -0.603 -2.892 1.00 0.00 C ATOM 627 CG LEU A 44 2.622 0.421 -3.505 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.880 1.725 -3.807 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.755 0.709 -2.516 1.00 0.00 C ATOM 0 H LEU A 44 0.056 -2.953 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 44 0.562 -0.704 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.918 -0.092 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.197 -1.289 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 44 3.032 0.013 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.573 2.446 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.072 1.529 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.466 2.130 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.442 1.435 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.338 1.112 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.292 -0.214 -2.299 1.00 0.00 H new ATOM 641 N GLN A 45 1.462 -3.334 -5.384 1.00 0.00 N ATOM 642 CA GLN A 45 2.422 -4.266 -6.044 1.00 0.00 C ATOM 643 C GLN A 45 2.736 -3.767 -7.455 1.00 0.00 C ATOM 644 O GLN A 45 1.914 -3.166 -8.116 1.00 0.00 O ATOM 645 CB GLN A 45 1.845 -5.681 -6.122 1.00 0.00 C ATOM 646 CG GLN A 45 1.082 -6.022 -4.834 1.00 0.00 C ATOM 647 CD GLN A 45 1.870 -7.064 -4.033 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.312 -8.056 -4.577 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.067 -6.877 -2.758 1.00 0.00 N ATOM 0 H GLN A 45 0.474 -3.531 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 45 3.335 -4.295 -5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.177 -5.761 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.649 -6.400 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.936 -5.122 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.092 -6.407 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.696 -6.044 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.592 -7.564 -2.217 1.00 0.00 H new ATOM 658 N VAL A 46 3.934 -4.005 -7.902 1.00 0.00 N ATOM 659 CA VAL A 46 4.358 -3.551 -9.261 1.00 0.00 C ATOM 660 C VAL A 46 3.236 -3.734 -10.293 1.00 0.00 C ATOM 661 O VAL A 46 3.271 -3.135 -11.350 1.00 0.00 O ATOM 662 CB VAL A 46 5.577 -4.365 -9.706 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.148 -5.797 -10.038 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.194 -3.718 -10.948 1.00 0.00 C ATOM 0 H VAL A 46 4.653 -4.503 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 46 4.601 -2.490 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 46 6.311 -4.386 -8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.018 -6.373 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.708 -6.259 -9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.412 -5.779 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.062 -4.296 -11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.458 -3.697 -11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.503 -2.700 -10.712 1.00 0.00 H new ATOM 674 N ALA A 47 2.257 -4.561 -10.029 1.00 0.00 N ATOM 675 CA ALA A 47 1.182 -4.756 -11.048 1.00 0.00 C ATOM 676 C ALA A 47 -0.171 -5.034 -10.387 1.00 0.00 C ATOM 677 O ALA A 47 -0.844 -5.989 -10.723 1.00 0.00 O ATOM 678 CB ALA A 47 1.551 -5.939 -11.946 1.00 0.00 C ATOM 0 H ALA A 47 2.155 -5.100 -9.169 1.00 0.00 H new ATOM 0 HA ALA A 47 1.096 -3.841 -11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.770 -6.087 -12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.497 -5.734 -12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.648 -6.840 -11.340 1.00 0.00 H new ATOM 684 N CYS A 48 -0.593 -4.207 -9.468 1.00 0.00 N ATOM 685 CA CYS A 48 -1.917 -4.436 -8.822 1.00 0.00 C ATOM 686 C CYS A 48 -2.592 -3.096 -8.527 1.00 0.00 C ATOM 687 O CYS A 48 -2.548 -2.604 -7.417 1.00 0.00 O ATOM 688 CB CYS A 48 -1.727 -5.196 -7.513 1.00 0.00 C ATOM 689 SG CYS A 48 -3.311 -5.905 -7.007 1.00 0.00 S ATOM 0 H CYS A 48 -0.082 -3.388 -9.139 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.543 -5.018 -9.498 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.985 -5.985 -7.640 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.351 -4.526 -6.740 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.371 -5.952 -5.709 1.00 0.00 H new ATOM 694 N PRO A 49 -3.223 -2.512 -9.511 1.00 0.00 N ATOM 695 CA PRO A 49 -3.928 -1.215 -9.349 1.00 0.00 C ATOM 696 C PRO A 49 -5.366 -1.400 -8.848 1.00 0.00 C ATOM 697 O PRO A 49 -6.260 -1.719 -9.605 1.00 0.00 O ATOM 698 CB PRO A 49 -3.919 -0.648 -10.767 1.00 0.00 C ATOM 699 CG PRO A 49 -3.952 -1.846 -11.668 1.00 0.00 C ATOM 700 CD PRO A 49 -3.332 -3.017 -10.887 1.00 0.00 C ATOM 0 HA PRO A 49 -3.454 -0.568 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.780 -0.002 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.028 -0.046 -10.945 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.975 -2.078 -11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.393 -1.655 -12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.960 -3.906 -10.937 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.357 -3.293 -11.289 1.00 0.00 H new ATOM 708 N TYR A 50 -5.587 -1.190 -7.579 1.00 0.00 N ATOM 709 CA TYR A 50 -6.954 -1.339 -7.004 1.00 0.00 C ATOM 710 C TYR A 50 -6.929 -0.783 -5.581 1.00 0.00 C ATOM 711 O TYR A 50 -6.027 -1.071 -4.820 1.00 0.00 O ATOM 712 CB TYR A 50 -7.342 -2.821 -6.955 1.00 0.00 C ATOM 713 CG TYR A 50 -7.687 -3.312 -8.343 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.867 -2.887 -8.965 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.825 -4.195 -9.006 1.00 0.00 C ATOM 716 CE1 TYR A 50 -9.184 -3.343 -10.251 1.00 0.00 C ATOM 717 CE2 TYR A 50 -7.143 -4.650 -10.291 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.323 -4.224 -10.913 1.00 0.00 C ATOM 719 OH TYR A 50 -8.636 -4.674 -12.180 1.00 0.00 O ATOM 0 H TYR A 50 -4.869 -0.918 -6.908 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.678 -0.804 -7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.519 -3.408 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.193 -2.961 -6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.533 -2.208 -8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.915 -4.525 -8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.094 -3.014 -10.731 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.478 -5.330 -10.803 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.932 -5.278 -12.496 1.00 0.00 H new ATOM 729 N VAL A 51 -7.895 0.014 -5.207 1.00 0.00 N ATOM 730 CA VAL A 51 -7.884 0.578 -3.825 1.00 0.00 C ATOM 731 C VAL A 51 -8.866 -0.191 -2.941 1.00 0.00 C ATOM 732 O VAL A 51 -10.067 -0.053 -3.047 1.00 0.00 O ATOM 733 CB VAL A 51 -8.240 2.067 -3.866 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.413 2.300 -4.821 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.611 2.556 -2.460 1.00 0.00 C ATOM 0 H VAL A 51 -8.682 0.296 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.885 0.475 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.375 2.626 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.659 3.362 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.138 1.970 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.279 1.734 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.863 3.616 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.469 1.992 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.765 2.408 -1.788 1.00 0.00 H new ATOM 745 N GLY A 52 -8.349 -1.006 -2.063 1.00 0.00 N ATOM 746 CA GLY A 52 -9.224 -1.804 -1.161 1.00 0.00 C ATOM 747 C GLY A 52 -9.574 -0.989 0.086 1.00 0.00 C ATOM 748 O GLY A 52 -9.257 0.178 0.187 1.00 0.00 O ATOM 0 H GLY A 52 -7.348 -1.154 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.135 -2.091 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.719 -2.726 -0.873 1.00 0.00 H new ATOM 752 N CYS A 53 -10.232 -1.601 1.034 1.00 0.00 N ATOM 753 CA CYS A 53 -10.617 -0.874 2.278 1.00 0.00 C ATOM 754 C CYS A 53 -9.639 -1.180 3.389 1.00 0.00 C ATOM 755 O CYS A 53 -8.819 -2.074 3.314 1.00 0.00 O ATOM 756 CB CYS A 53 -11.973 -1.370 2.806 1.00 0.00 C ATOM 757 SG CYS A 53 -12.311 -3.024 2.159 1.00 0.00 S ATOM 0 H CYS A 53 -10.521 -2.579 1.000 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.641 0.185 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.964 -1.390 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.764 -0.683 2.506 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.378 -2.990 1.417 1.00 0.00 H new ATOM 762 N GLY A 54 -9.820 -0.481 4.456 1.00 0.00 N ATOM 763 CA GLY A 54 -9.035 -0.720 5.680 1.00 0.00 C ATOM 764 C GLY A 54 -10.080 -1.147 6.695 1.00 0.00 C ATOM 765 O GLY A 54 -11.251 -0.910 6.480 1.00 0.00 O ATOM 0 H GLY A 54 -10.503 0.272 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.282 -1.494 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.508 0.179 6.001 1.00 0.00 H new ATOM 769 N GLU A 55 -9.716 -1.788 7.762 1.00 0.00 N ATOM 770 CA GLU A 55 -10.760 -2.225 8.745 1.00 0.00 C ATOM 771 C GLU A 55 -11.981 -1.329 8.631 1.00 0.00 C ATOM 772 O GLU A 55 -13.105 -1.779 8.728 1.00 0.00 O ATOM 773 CB GLU A 55 -10.209 -2.123 10.156 1.00 0.00 C ATOM 774 CG GLU A 55 -10.031 -0.651 10.538 1.00 0.00 C ATOM 775 CD GLU A 55 -9.123 -0.547 11.765 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.121 -1.242 11.797 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.444 0.228 12.652 1.00 0.00 O ATOM 0 H GLU A 55 -8.755 -2.031 8.003 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.038 -3.257 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.886 -2.611 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.253 -2.643 10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.598 -0.098 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.000 -0.200 10.751 1.00 0.00 H new ATOM 784 N SER A 56 -11.756 -0.069 8.396 1.00 0.00 N ATOM 785 CA SER A 56 -12.886 0.886 8.231 1.00 0.00 C ATOM 786 C SER A 56 -14.090 0.122 7.684 1.00 0.00 C ATOM 787 O SER A 56 -15.205 0.280 8.141 1.00 0.00 O ATOM 788 CB SER A 56 -12.469 1.975 7.242 1.00 0.00 C ATOM 789 OG SER A 56 -12.365 3.214 7.930 1.00 0.00 O ATOM 0 H SER A 56 -10.828 0.345 8.310 1.00 0.00 H new ATOM 0 HA SER A 56 -13.146 1.344 9.185 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.515 1.719 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.200 2.052 6.437 1.00 0.00 H new ATOM 0 HG SER A 56 -12.573 3.948 7.315 1.00 0.00 H new ATOM 795 N PHE A 57 -13.858 -0.730 6.718 1.00 0.00 N ATOM 796 CA PHE A 57 -14.975 -1.542 6.149 1.00 0.00 C ATOM 797 C PHE A 57 -14.713 -3.017 6.418 1.00 0.00 C ATOM 798 O PHE A 57 -15.051 -3.549 7.457 1.00 0.00 O ATOM 799 CB PHE A 57 -15.073 -1.336 4.642 1.00 0.00 C ATOM 800 CG PHE A 57 -16.170 -2.226 4.096 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.863 -3.238 3.177 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.494 -2.044 4.516 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.879 -4.065 2.680 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.509 -2.869 4.017 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.200 -3.880 3.100 1.00 0.00 C ATOM 0 H PHE A 57 -12.943 -0.898 6.299 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.907 -1.226 6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.288 -0.291 4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.122 -1.575 4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.843 -3.381 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.732 -1.266 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.642 -4.846 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.530 -2.725 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.982 -4.518 2.716 1.00 0.00 H new ATOM 815 N ALA A 58 -14.101 -3.672 5.476 1.00 0.00 N ATOM 816 CA ALA A 58 -13.785 -5.123 5.632 1.00 0.00 C ATOM 817 C ALA A 58 -12.276 -5.301 5.515 1.00 0.00 C ATOM 818 O ALA A 58 -11.756 -6.397 5.581 1.00 0.00 O ATOM 819 CB ALA A 58 -14.484 -5.921 4.530 1.00 0.00 C ATOM 0 H ALA A 58 -13.801 -3.262 4.592 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.131 -5.481 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.253 -6.980 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.562 -5.775 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.136 -5.577 3.556 1.00 0.00 H new ATOM 825 N ASP A 59 -11.573 -4.218 5.341 1.00 0.00 N ATOM 826 CA ASP A 59 -10.094 -4.285 5.218 1.00 0.00 C ATOM 827 C ASP A 59 -9.700 -5.253 4.102 1.00 0.00 C ATOM 828 O ASP A 59 -9.056 -6.253 4.347 1.00 0.00 O ATOM 829 CB ASP A 59 -9.482 -4.757 6.543 1.00 0.00 C ATOM 830 CG ASP A 59 -7.981 -4.993 6.370 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.601 -6.125 6.123 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.236 -4.035 6.497 1.00 0.00 O ATOM 0 H ASP A 59 -11.966 -3.279 5.278 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.718 -3.291 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.654 -4.011 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.968 -5.676 6.871 1.00 0.00 H new ATOM 837 N HIS A 60 -10.046 -4.962 2.871 1.00 0.00 N ATOM 838 CA HIS A 60 -9.632 -5.879 1.771 1.00 0.00 C ATOM 839 C HIS A 60 -8.144 -6.145 1.969 1.00 0.00 C ATOM 840 O HIS A 60 -7.606 -7.139 1.548 1.00 0.00 O ATOM 841 CB HIS A 60 -9.850 -5.212 0.403 1.00 0.00 C ATOM 842 CG HIS A 60 -11.032 -5.827 -0.302 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.194 -5.112 -0.592 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.242 -7.097 -0.782 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.036 -5.962 -1.214 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.504 -7.174 -1.353 1.00 0.00 N ATOM 0 H HIS A 60 -10.587 -4.145 2.587 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.217 -6.798 1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.014 -4.143 0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.955 -5.324 -0.209 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.373 -4.132 -0.375 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.534 -7.910 -0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.023 -5.692 -1.558 1.00 0.00 H new ATOM 854 N SER A 61 -7.489 -5.238 2.630 1.00 0.00 N ATOM 855 CA SER A 61 -6.033 -5.389 2.897 1.00 0.00 C ATOM 856 C SER A 61 -5.721 -6.817 3.342 1.00 0.00 C ATOM 857 O SER A 61 -4.652 -7.337 3.085 1.00 0.00 O ATOM 858 CB SER A 61 -5.644 -4.418 4.012 1.00 0.00 C ATOM 859 OG SER A 61 -4.288 -4.028 3.849 1.00 0.00 O ATOM 0 H SER A 61 -7.906 -4.385 3.003 1.00 0.00 H new ATOM 0 HA SER A 61 -5.471 -5.175 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.291 -3.541 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.783 -4.890 4.985 1.00 0.00 H new ATOM 0 HG SER A 61 -3.752 -4.392 4.584 1.00 0.00 H new ATOM 865 N THR A 62 -6.634 -7.457 4.021 1.00 0.00 N ATOM 866 CA THR A 62 -6.366 -8.839 4.491 1.00 0.00 C ATOM 867 C THR A 62 -6.790 -9.854 3.437 1.00 0.00 C ATOM 868 O THR A 62 -5.977 -10.573 2.893 1.00 0.00 O ATOM 869 CB THR A 62 -7.158 -9.108 5.767 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.353 -8.342 5.753 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.320 -8.737 6.993 1.00 0.00 C ATOM 0 H THR A 62 -7.550 -7.081 4.268 1.00 0.00 H new ATOM 0 HA THR A 62 -5.297 -8.936 4.679 1.00 0.00 H new ATOM 0 HB THR A 62 -7.407 -10.168 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.207 -7.499 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.894 -8.933 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.408 -9.334 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.060 -7.679 6.950 1.00 0.00 H new ATOM 879 N ILE A 63 -8.064 -9.943 3.162 1.00 0.00 N ATOM 880 CA ILE A 63 -8.519 -10.942 2.165 1.00 0.00 C ATOM 881 C ILE A 63 -7.808 -10.687 0.837 1.00 0.00 C ATOM 882 O ILE A 63 -7.525 -11.596 0.083 1.00 0.00 O ATOM 883 CB ILE A 63 -10.027 -10.859 1.964 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.425 -9.401 1.810 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.746 -11.466 3.170 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.837 -9.311 1.230 1.00 0.00 C ATOM 0 H ILE A 63 -8.798 -9.372 3.581 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.277 -11.940 2.531 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.309 -11.414 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.386 -8.899 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.719 -8.888 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.824 -11.404 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.455 -12.511 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.473 -10.917 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.119 -8.264 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.861 -9.797 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.538 -9.808 1.901 1.00 0.00 H new ATOM 898 N HIS A 64 -7.518 -9.452 0.551 1.00 0.00 N ATOM 899 CA HIS A 64 -6.817 -9.117 -0.722 1.00 0.00 C ATOM 900 C HIS A 64 -5.365 -9.589 -0.639 1.00 0.00 C ATOM 901 O HIS A 64 -4.834 -10.153 -1.574 1.00 0.00 O ATOM 902 CB HIS A 64 -6.838 -7.606 -0.956 1.00 0.00 C ATOM 903 CG HIS A 64 -6.138 -7.306 -2.250 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.824 -6.975 -3.408 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.809 -7.304 -2.586 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.912 -6.792 -4.381 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.669 -6.982 -3.931 1.00 0.00 N ATOM 0 H HIS A 64 -7.737 -8.653 1.146 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.326 -9.614 -1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.866 -7.244 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.345 -7.090 -0.132 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.835 -6.886 -3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.995 -7.520 -1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.155 -6.525 -5.399 1.00 0.00 H new ATOM 915 N ALA A 65 -4.722 -9.387 0.482 1.00 0.00 N ATOM 916 CA ALA A 65 -3.312 -9.856 0.614 1.00 0.00 C ATOM 917 C ALA A 65 -3.367 -11.359 0.828 1.00 0.00 C ATOM 918 O ALA A 65 -2.411 -12.081 0.648 1.00 0.00 O ATOM 919 CB ALA A 65 -2.651 -9.182 1.819 1.00 0.00 C ATOM 0 H ALA A 65 -5.108 -8.922 1.304 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.731 -9.608 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.622 -9.528 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.659 -8.101 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.201 -9.436 2.725 1.00 0.00 H new ATOM 925 N GLN A 66 -4.509 -11.803 1.237 1.00 0.00 N ATOM 926 CA GLN A 66 -4.756 -13.237 1.517 1.00 0.00 C ATOM 927 C GLN A 66 -5.095 -13.987 0.222 1.00 0.00 C ATOM 928 O GLN A 66 -4.749 -15.139 0.049 1.00 0.00 O ATOM 929 CB GLN A 66 -5.963 -13.258 2.446 1.00 0.00 C ATOM 930 CG GLN A 66 -6.559 -14.662 2.597 1.00 0.00 C ATOM 931 CD GLN A 66 -5.993 -15.337 3.849 1.00 0.00 C ATOM 932 OE1 GLN A 66 -5.883 -14.720 4.890 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.625 -16.588 3.790 1.00 0.00 N ATOM 0 H GLN A 66 -5.320 -11.205 1.397 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.881 -13.718 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.670 -12.883 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.726 -12.582 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.645 -14.600 2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.330 -15.261 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.717 -17.106 2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.245 -17.047 4.618 1.00 0.00 H new ATOM 942 N ALA A 67 -5.796 -13.348 -0.674 1.00 0.00 N ATOM 943 CA ALA A 67 -6.195 -14.026 -1.940 1.00 0.00 C ATOM 944 C ALA A 67 -5.111 -13.837 -2.998 1.00 0.00 C ATOM 945 O ALA A 67 -4.752 -14.754 -3.708 1.00 0.00 O ATOM 946 CB ALA A 67 -7.512 -13.425 -2.441 1.00 0.00 C ATOM 0 H ALA A 67 -6.111 -12.382 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.325 -15.092 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.808 -13.918 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.288 -13.570 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.379 -12.359 -2.624 1.00 0.00 H new ATOM 952 N LYS A 68 -4.601 -12.645 -3.113 1.00 0.00 N ATOM 953 CA LYS A 68 -3.551 -12.376 -4.133 1.00 0.00 C ATOM 954 C LYS A 68 -2.175 -12.489 -3.485 1.00 0.00 C ATOM 955 O LYS A 68 -1.157 -12.266 -4.109 1.00 0.00 O ATOM 956 CB LYS A 68 -3.753 -10.971 -4.692 1.00 0.00 C ATOM 957 CG LYS A 68 -5.183 -10.845 -5.240 1.00 0.00 C ATOM 958 CD LYS A 68 -6.101 -10.240 -4.173 1.00 0.00 C ATOM 959 CE LYS A 68 -7.482 -9.977 -4.778 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.447 -9.655 -3.689 1.00 0.00 N ATOM 0 H LYS A 68 -4.867 -11.842 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.621 -13.102 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.583 -10.229 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.029 -10.774 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.186 -10.218 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.555 -11.825 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.187 -10.919 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.675 -9.311 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.429 -9.151 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.821 -10.852 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.400 -9.543 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.454 -10.427 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.162 -8.770 -3.223 1.00 0.00 H new ATOM 974 N LYS A 69 -2.145 -12.842 -2.235 1.00 0.00 N ATOM 975 CA LYS A 69 -0.850 -12.991 -1.521 1.00 0.00 C ATOM 976 C LYS A 69 -0.045 -11.688 -1.609 1.00 0.00 C ATOM 977 O LYS A 69 1.138 -11.665 -1.333 1.00 0.00 O ATOM 978 CB LYS A 69 -0.051 -14.143 -2.147 1.00 0.00 C ATOM 979 CG LYS A 69 -0.373 -15.459 -1.425 1.00 0.00 C ATOM 980 CD LYS A 69 -1.895 -15.632 -1.293 1.00 0.00 C ATOM 981 CE LYS A 69 -2.245 -17.122 -1.266 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.404 -17.811 -0.246 1.00 0.00 N ATOM 0 H LYS A 69 -2.972 -13.036 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.043 -13.212 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.293 -14.231 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.017 -13.934 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.049 -16.298 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.088 -15.463 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.248 -15.149 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.400 -15.145 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.301 -17.254 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.079 -17.564 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.849 -18.713 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.459 -17.994 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.316 -17.208 0.596 1.00 0.00 H new ATOM 996 N HIS A 70 -0.675 -10.596 -1.957 1.00 0.00 N ATOM 997 CA HIS A 70 0.071 -9.305 -2.018 1.00 0.00 C ATOM 998 C HIS A 70 0.298 -8.843 -0.577 1.00 0.00 C ATOM 999 O HIS A 70 -0.632 -8.728 0.197 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.744 -8.271 -2.802 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.807 -8.697 -4.246 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.847 -8.324 -5.085 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.033 -9.469 -5.015 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.608 -8.866 -6.295 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.478 -9.571 -6.302 1.00 0.00 N ATOM 0 H HIS A 70 -1.664 -10.542 -2.199 1.00 0.00 H new ATOM 0 HA HIS A 70 1.027 -9.426 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.749 -8.190 -2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.285 -7.286 -2.719 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -2.647 -7.745 -4.832 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.949 -9.926 -4.670 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.253 -8.744 -7.153 1.00 0.00 H new ATOM 1013 N ASN A 71 1.527 -8.625 -0.189 1.00 0.00 N ATOM 1014 CA ASN A 71 1.800 -8.232 1.223 1.00 0.00 C ATOM 1015 C ASN A 71 1.816 -6.709 1.381 1.00 0.00 C ATOM 1016 O ASN A 71 1.294 -6.174 2.338 1.00 0.00 O ATOM 1017 CB ASN A 71 3.161 -8.801 1.637 1.00 0.00 C ATOM 1018 CG ASN A 71 3.526 -9.975 0.725 1.00 0.00 C ATOM 1019 OD1 ASN A 71 3.178 -11.105 1.003 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.218 -9.754 -0.358 1.00 0.00 N ATOM 0 H ASN A 71 2.350 -8.702 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 71 1.008 -8.630 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.925 -8.026 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.128 -9.131 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.467 -10.530 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.510 -8.805 -0.592 1.00 0.00 H new ATOM 1027 N LEU A 72 2.447 -6.013 0.481 1.00 0.00 N ATOM 1028 CA LEU A 72 2.546 -4.532 0.620 1.00 0.00 C ATOM 1029 C LEU A 72 1.314 -3.800 0.086 1.00 0.00 C ATOM 1030 O LEU A 72 0.802 -4.081 -0.980 1.00 0.00 O ATOM 1031 CB LEU A 72 3.774 -4.050 -0.141 1.00 0.00 C ATOM 1032 CG LEU A 72 5.033 -4.565 0.555 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.223 -4.413 -0.389 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.292 -3.760 1.837 1.00 0.00 C ATOM 0 H LEU A 72 2.899 -6.403 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 72 2.620 -4.308 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.742 -4.407 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.787 -2.961 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 72 4.897 -5.615 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.125 -4.779 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.044 -4.990 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.351 -3.362 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.191 -4.134 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.427 -2.708 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.442 -3.865 2.511 1.00 0.00 H new ATOM 1046 N THR A 73 0.878 -2.823 0.832 1.00 0.00 N ATOM 1047 CA THR A 73 -0.283 -1.982 0.430 1.00 0.00 C ATOM 1048 C THR A 73 -0.068 -0.607 1.066 1.00 0.00 C ATOM 1049 O THR A 73 0.695 -0.482 1.999 1.00 0.00 O ATOM 1050 CB THR A 73 -1.585 -2.601 0.944 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.667 -1.725 0.659 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.485 -2.818 2.452 1.00 0.00 C ATOM 0 H THR A 73 1.291 -2.566 1.729 1.00 0.00 H new ATOM 0 HA THR A 73 -0.357 -1.907 -0.655 1.00 0.00 H new ATOM 0 HB THR A 73 -1.754 -3.559 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.411 -1.112 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.412 -3.259 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.654 -3.489 2.669 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.318 -1.861 2.947 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.698 0.431 0.580 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.458 1.779 1.189 1.00 0.00 C ATOM 1062 C VAL A 74 -1.761 2.399 1.690 1.00 0.00 C ATOM 1063 O VAL A 74 -2.752 2.461 0.989 1.00 0.00 O ATOM 1064 CB VAL A 74 0.186 2.697 0.146 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.555 2.554 -1.185 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.106 4.156 0.612 1.00 0.00 C ATOM 0 H VAL A 74 -1.357 0.409 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 74 0.209 1.660 2.043 1.00 0.00 H new ATOM 0 HB VAL A 74 1.231 2.415 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.097 3.207 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.496 1.520 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.600 2.833 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.566 4.802 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.938 4.439 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.633 4.265 1.560 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.746 2.874 2.909 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.955 3.513 3.489 1.00 0.00 C ATOM 1078 C ASN A 75 -2.997 4.975 3.052 1.00 0.00 C ATOM 1079 O ASN A 75 -2.266 5.806 3.554 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.894 3.440 5.017 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.276 3.742 5.598 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.094 4.369 4.954 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.573 3.322 6.797 1.00 0.00 N ATOM 0 H ASN A 75 -0.937 2.844 3.530 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.848 2.994 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.564 2.450 5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.164 4.155 5.397 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.492 3.520 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.887 2.796 7.338 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.844 5.293 2.120 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.933 6.701 1.645 1.00 0.00 C ATOM 1092 C LEU A 76 -4.542 7.560 2.748 1.00 0.00 C ATOM 1093 O LEU A 76 -4.936 8.690 2.533 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.797 6.744 0.385 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.332 5.630 -0.578 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.513 4.731 -0.948 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.731 6.234 -1.854 1.00 0.00 C ATOM 0 H LEU A 76 -4.481 4.640 1.664 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.943 7.089 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.847 6.605 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.713 7.718 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.568 5.039 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.176 3.948 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.921 4.277 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.285 5.327 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.409 5.433 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.482 6.844 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.874 6.855 -1.594 1.00 0.00 H new ATOM 1109 N THR A 77 -4.602 7.028 3.936 1.00 0.00 N ATOM 1110 CA THR A 77 -5.159 7.791 5.082 1.00 0.00 C ATOM 1111 C THR A 77 -4.006 8.463 5.821 1.00 0.00 C ATOM 1112 O THR A 77 -4.108 9.588 6.269 1.00 0.00 O ATOM 1113 CB THR A 77 -5.866 6.825 6.028 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.840 6.096 5.298 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.532 7.612 7.160 1.00 0.00 C ATOM 0 H THR A 77 -4.284 6.085 4.162 1.00 0.00 H new ATOM 0 HA THR A 77 -5.867 8.541 4.729 1.00 0.00 H new ATOM 0 HB THR A 77 -5.145 6.131 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.408 5.352 4.829 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.037 6.921 7.835 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.774 8.169 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.260 8.307 6.741 1.00 0.00 H new ATOM 1123 N THR A 78 -2.912 7.764 5.952 1.00 0.00 N ATOM 1124 CA THR A 78 -1.730 8.335 6.669 1.00 0.00 C ATOM 1125 C THR A 78 -0.517 8.409 5.735 1.00 0.00 C ATOM 1126 O THR A 78 0.445 9.094 6.017 1.00 0.00 O ATOM 1127 CB THR A 78 -1.390 7.445 7.865 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.555 7.248 8.653 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.305 8.114 8.711 1.00 0.00 C ATOM 0 H THR A 78 -2.783 6.818 5.593 1.00 0.00 H new ATOM 0 HA THR A 78 -1.976 9.342 7.006 1.00 0.00 H new ATOM 0 HB THR A 78 -1.025 6.482 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.588 6.318 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.064 7.478 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.589 8.263 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.666 9.078 9.069 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.555 7.717 4.628 1.00 0.00 N ATOM 1138 CA PHE A 79 0.591 7.752 3.667 1.00 0.00 C ATOM 1139 C PHE A 79 1.738 6.856 4.157 1.00 0.00 C ATOM 1140 O PHE A 79 2.869 7.283 4.274 1.00 0.00 O ATOM 1141 CB PHE A 79 1.098 9.190 3.496 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.070 10.148 3.527 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.178 9.929 2.698 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -0.045 11.257 4.382 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -2.259 10.817 2.724 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -1.127 12.146 4.408 1.00 0.00 C ATOM 1147 CZ PHE A 79 -2.234 11.926 3.580 1.00 0.00 C ATOM 0 H PHE A 79 -1.335 7.124 4.344 1.00 0.00 H new ATOM 0 HA PHE A 79 0.239 7.378 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.803 9.434 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.635 9.287 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.198 9.074 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.809 11.427 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.113 10.648 2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.107 13.001 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.069 12.611 3.601 1.00 0.00 H new ATOM 1157 N ARG A 80 1.452 5.610 4.404 1.00 0.00 N ATOM 1158 CA ARG A 80 2.505 4.650 4.841 1.00 0.00 C ATOM 1159 C ARG A 80 2.180 3.312 4.190 1.00 0.00 C ATOM 1160 O ARG A 80 1.212 3.194 3.468 1.00 0.00 O ATOM 1161 CB ARG A 80 2.520 4.496 6.369 1.00 0.00 C ATOM 1162 CG ARG A 80 1.193 4.973 6.974 1.00 0.00 C ATOM 1163 CD ARG A 80 0.961 4.257 8.310 1.00 0.00 C ATOM 1164 NE ARG A 80 0.015 5.046 9.151 1.00 0.00 N ATOM 1165 CZ ARG A 80 0.042 4.930 10.452 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -0.787 5.623 11.184 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.895 4.122 11.020 1.00 0.00 N ATOM 0 H ARG A 80 0.518 5.208 4.321 1.00 0.00 H new ATOM 0 HA ARG A 80 3.489 5.012 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.692 3.452 6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.345 5.071 6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.216 6.052 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.371 4.765 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.559 3.260 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.908 4.130 8.834 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.654 5.677 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.454 6.254 10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.767 5.534 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.542 3.580 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.914 4.033 12.036 1.00 0.00 H new ATOM 1181 N LEU A 81 2.966 2.307 4.423 1.00 0.00 N ATOM 1182 CA LEU A 81 2.680 0.990 3.793 1.00 0.00 C ATOM 1183 C LEU A 81 2.339 -0.036 4.864 1.00 0.00 C ATOM 1184 O LEU A 81 2.370 0.237 6.045 1.00 0.00 O ATOM 1185 CB LEU A 81 3.909 0.525 3.004 1.00 0.00 C ATOM 1186 CG LEU A 81 3.778 0.937 1.532 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.170 1.208 0.953 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.089 -0.176 0.718 1.00 0.00 C ATOM 0 H LEU A 81 3.793 2.336 5.020 1.00 0.00 H new ATOM 0 HA LEU A 81 1.831 1.092 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.812 0.960 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.011 -0.558 3.079 1.00 0.00 H new ATOM 0 HG LEU A 81 3.171 1.840 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.078 1.501 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.647 2.011 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.776 0.305 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.005 0.134 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.680 -1.090 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.094 -0.360 1.123 1.00 0.00 H new ATOM 1200 N TRP A 82 2.016 -1.217 4.439 1.00 0.00 N ATOM 1201 CA TRP A 82 1.671 -2.300 5.390 1.00 0.00 C ATOM 1202 C TRP A 82 1.982 -3.628 4.715 1.00 0.00 C ATOM 1203 O TRP A 82 1.340 -4.016 3.760 1.00 0.00 O ATOM 1204 CB TRP A 82 0.183 -2.224 5.738 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.099 -3.061 6.946 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.525 -2.941 8.141 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.067 -4.140 7.096 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.004 -3.880 9.014 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.981 -4.642 8.417 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.002 -4.726 6.224 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.794 -5.688 8.857 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.822 -5.779 6.663 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.718 -6.259 7.976 1.00 0.00 C ATOM 0 H TRP A 82 1.976 -1.483 3.455 1.00 0.00 H new ATOM 0 HA TRP A 82 2.246 -2.201 6.311 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.103 -1.189 5.926 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.415 -2.572 4.896 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.302 -2.229 8.375 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.310 -3.995 9.980 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.090 -4.364 5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.710 -6.053 9.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.537 -6.221 5.985 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.351 -7.069 8.307 1.00 0.00 H new ATOM 1224 N CYS A 83 2.979 -4.318 5.184 1.00 0.00 N ATOM 1225 CA CYS A 83 3.349 -5.605 4.550 1.00 0.00 C ATOM 1226 C CYS A 83 2.664 -6.758 5.266 1.00 0.00 C ATOM 1227 O CYS A 83 3.007 -7.082 6.375 1.00 0.00 O ATOM 1228 CB CYS A 83 4.862 -5.790 4.654 1.00 0.00 C ATOM 1229 SG CYS A 83 5.465 -6.606 3.162 1.00 0.00 S ATOM 0 H CYS A 83 3.554 -4.044 5.981 1.00 0.00 H new ATOM 0 HA CYS A 83 3.036 -5.593 3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.351 -4.824 4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.108 -6.386 5.533 1.00 0.00 H new ATOM 0 HG CYS A 83 6.604 -7.181 3.412 1.00 0.00 H new ATOM 1234 N TYR A 84 1.726 -7.407 4.640 1.00 0.00 N ATOM 1235 CA TYR A 84 1.087 -8.563 5.320 1.00 0.00 C ATOM 1236 C TYR A 84 2.134 -9.671 5.378 1.00 0.00 C ATOM 1237 O TYR A 84 1.895 -10.755 5.872 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.143 -9.031 4.532 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.039 -9.849 5.434 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.669 -9.245 6.528 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.242 -11.211 5.175 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.500 -10.000 7.362 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.072 -11.968 6.011 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.702 -11.362 7.105 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.520 -12.107 7.929 1.00 0.00 O ATOM 0 H TYR A 84 1.379 -7.193 3.705 1.00 0.00 H new ATOM 0 HA TYR A 84 0.750 -8.292 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.688 -8.171 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.167 -9.626 3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.513 -8.195 6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.758 -11.677 4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.987 -9.532 8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.226 -13.018 5.812 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.552 -13.033 7.608 1.00 0.00 H new ATOM 1255 N ALA A 85 3.314 -9.375 4.893 1.00 0.00 N ATOM 1256 CA ALA A 85 4.422 -10.360 4.927 1.00 0.00 C ATOM 1257 C ALA A 85 5.318 -9.976 6.098 1.00 0.00 C ATOM 1258 O ALA A 85 5.318 -10.622 7.128 1.00 0.00 O ATOM 1259 CB ALA A 85 5.220 -10.306 3.623 1.00 0.00 C ATOM 0 H ALA A 85 3.553 -8.478 4.470 1.00 0.00 H new ATOM 0 HA ALA A 85 4.036 -11.373 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.030 -11.034 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.563 -10.538 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.636 -9.307 3.492 1.00 0.00 H new ATOM 1265 N CYS A 86 6.036 -8.885 5.981 1.00 0.00 N ATOM 1266 CA CYS A 86 6.858 -8.437 7.122 1.00 0.00 C ATOM 1267 C CYS A 86 5.865 -8.125 8.231 1.00 0.00 C ATOM 1268 O CYS A 86 6.210 -7.942 9.382 1.00 0.00 O ATOM 1269 CB CYS A 86 7.641 -7.175 6.738 1.00 0.00 C ATOM 1270 SG CYS A 86 8.598 -7.485 5.232 1.00 0.00 S ATOM 0 H CYS A 86 6.081 -8.298 5.148 1.00 0.00 H new ATOM 0 HA CYS A 86 7.585 -9.190 7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.954 -6.344 6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.307 -6.887 7.551 1.00 0.00 H new ATOM 0 HG CYS A 86 8.475 -6.474 4.424 1.00 0.00 H new ATOM 1275 N GLU A 87 4.613 -8.080 7.858 1.00 0.00 N ATOM 1276 CA GLU A 87 3.528 -7.798 8.829 1.00 0.00 C ATOM 1277 C GLU A 87 3.904 -6.579 9.676 1.00 0.00 C ATOM 1278 O GLU A 87 4.058 -6.654 10.878 1.00 0.00 O ATOM 1279 CB GLU A 87 3.317 -9.043 9.692 1.00 0.00 C ATOM 1280 CG GLU A 87 1.902 -9.593 9.480 1.00 0.00 C ATOM 1281 CD GLU A 87 0.883 -8.647 10.118 1.00 0.00 C ATOM 1282 OE1 GLU A 87 -0.295 -8.962 10.077 1.00 0.00 O ATOM 1283 OE2 GLU A 87 1.299 -7.624 10.637 1.00 0.00 O ATOM 0 H GLU A 87 4.296 -8.231 6.900 1.00 0.00 H new ATOM 0 HA GLU A 87 2.595 -7.567 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.054 -9.803 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.467 -8.797 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.698 -9.699 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.817 -10.586 9.921 1.00 0.00 H new ATOM 1290 N LYS A 88 4.044 -5.448 9.038 1.00 0.00 N ATOM 1291 CA LYS A 88 4.400 -4.204 9.775 1.00 0.00 C ATOM 1292 C LYS A 88 4.049 -2.996 8.905 1.00 0.00 C ATOM 1293 O LYS A 88 3.513 -3.138 7.827 1.00 0.00 O ATOM 1294 CB LYS A 88 5.900 -4.198 10.072 1.00 0.00 C ATOM 1295 CG LYS A 88 6.661 -4.663 8.831 1.00 0.00 C ATOM 1296 CD LYS A 88 8.156 -4.381 9.008 1.00 0.00 C ATOM 1297 CE LYS A 88 8.704 -5.191 10.189 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.688 -4.349 11.418 1.00 0.00 N ATOM 0 H LYS A 88 3.926 -5.333 8.031 1.00 0.00 H new ATOM 0 HA LYS A 88 3.847 -4.159 10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.222 -3.196 10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.119 -4.854 10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.498 -5.729 8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.286 -4.147 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.694 -4.641 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.316 -3.317 9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.101 -6.086 10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.720 -5.523 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.665 -4.154 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.201 -3.452 11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.187 -4.853 12.177 1.00 0.00 H new ATOM 1312 N GLU A 89 4.354 -1.812 9.363 1.00 0.00 N ATOM 1313 CA GLU A 89 4.045 -0.586 8.565 1.00 0.00 C ATOM 1314 C GLU A 89 5.360 0.014 8.062 1.00 0.00 C ATOM 1315 O GLU A 89 6.354 0.005 8.761 1.00 0.00 O ATOM 1316 CB GLU A 89 3.314 0.425 9.465 1.00 0.00 C ATOM 1317 CG GLU A 89 2.031 0.917 8.782 1.00 0.00 C ATOM 1318 CD GLU A 89 1.062 1.447 9.840 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.125 1.494 9.559 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.522 1.795 10.915 1.00 0.00 O ATOM 0 H GLU A 89 4.807 -1.638 10.260 1.00 0.00 H new ATOM 0 HA GLU A 89 3.409 -0.833 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.070 -0.039 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.968 1.271 9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.267 1.702 8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.568 0.103 8.224 1.00 0.00 H new ATOM 1327 N VAL A 90 5.393 0.531 6.858 1.00 0.00 N ATOM 1328 CA VAL A 90 6.674 1.110 6.354 1.00 0.00 C ATOM 1329 C VAL A 90 6.395 2.303 5.436 1.00 0.00 C ATOM 1330 O VAL A 90 5.436 2.335 4.703 1.00 0.00 O ATOM 1331 CB VAL A 90 7.460 0.027 5.588 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.545 -0.561 6.494 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.507 -1.093 5.156 1.00 0.00 C ATOM 0 H VAL A 90 4.603 0.577 6.214 1.00 0.00 H new ATOM 0 HA VAL A 90 7.266 1.457 7.201 1.00 0.00 H new ATOM 0 HB VAL A 90 7.921 0.477 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.098 -1.326 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.228 0.230 6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.082 -1.006 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.065 -1.857 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.045 -1.537 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.733 -0.682 4.508 1.00 0.00 H new ATOM 1343 N PHE A 91 7.246 3.284 5.476 1.00 0.00 N ATOM 1344 CA PHE A 91 7.073 4.487 4.615 1.00 0.00 C ATOM 1345 C PHE A 91 8.045 4.397 3.455 1.00 0.00 C ATOM 1346 O PHE A 91 8.944 3.580 3.452 1.00 0.00 O ATOM 1347 CB PHE A 91 7.423 5.749 5.396 1.00 0.00 C ATOM 1348 CG PHE A 91 6.478 5.921 6.563 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.548 5.048 7.656 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.537 6.957 6.554 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.675 5.211 8.738 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.664 7.120 7.637 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.733 6.246 8.729 1.00 0.00 C ATOM 0 H PHE A 91 8.069 3.306 6.078 1.00 0.00 H new ATOM 0 HA PHE A 91 6.038 4.528 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.450 5.689 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.365 6.618 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.275 4.250 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.484 7.631 5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.728 4.537 9.581 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.938 7.919 7.630 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.059 6.371 9.564 1.00 0.00 H new