USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 802 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 59 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.32) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 68:sc= -2.41! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -164:sc= 0 (180deg=-0.742) USER MOD Single : A 20 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 22 MET CE :methyl -140:sc= -0.567 (180deg=-0.808) USER MOD Single : A 24 THR OG1 : rot -54:sc= 1.09 USER MOD Single : A 25 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-5.2!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.169 (180deg=-0.949) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 167:sc= -0.0962 (180deg=-0.427) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -27:sc= 0.287 USER MOD Single : A 65 TYR OH : rot -5:sc= 0.179 USER MOD Single : A 67 ASN : amide:sc= -6.79! C(o=-6.8!,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot -47:sc= -0.894 USER MOD Single : A 81 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.6!) USER MOD Single : A 82 CYS SG : rot -159:sc= -1.09 USER MOD Single : A 84 THR OG1 : rot 8:sc= 0.00597 USER MOD Single : A 86 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.6) USER MOD Single : A 90 SER OG : rot -33:sc= 0.093 USER MOD Single : A 97 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=-0.16) USER MOD Single : A 98 ASN : amide:sc= 0.549 K(o=0.55,f=-1.9!) USER MOD Single : A 99 MET CE :methyl -151:sc= -1.19 (180deg=-1.53) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0423) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.699 USER MOD Single : A 105 LYS NZ :NH3+ 156:sc= -0.0952 (180deg=-0.584) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 79:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -1.906 18.524 9.588 1.00 0.00 N ATOM 90 CA LYS A 10 -3.303 18.211 9.310 1.00 0.00 C ATOM 91 C LYS A 10 -3.417 17.186 8.186 1.00 0.00 C ATOM 92 O LYS A 10 -4.171 16.218 8.290 1.00 0.00 O ATOM 93 CB LYS A 10 -4.068 19.482 8.936 1.00 0.00 C ATOM 94 CG LYS A 10 -5.336 19.218 8.143 1.00 0.00 C ATOM 95 CD LYS A 10 -5.950 20.508 7.627 1.00 0.00 C ATOM 96 CE LYS A 10 -7.395 20.305 7.198 1.00 0.00 C ATOM 97 NZ LYS A 10 -7.491 19.636 5.871 1.00 0.00 N ATOM 0 HA LYS A 10 -3.740 17.785 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.325 20.022 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.414 20.131 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.111 18.560 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.058 18.697 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.904 21.271 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.367 20.877 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.915 19.706 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.900 21.270 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.492 19.516 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.017 20.220 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.031 18.704 5.918 1.00 0.00 H new ATOM 111 N ASP A 11 -2.665 17.405 7.114 1.00 0.00 N ATOM 112 CA ASP A 11 -2.680 16.499 5.971 1.00 0.00 C ATOM 113 C ASP A 11 -2.304 15.083 6.396 1.00 0.00 C ATOM 114 O ASP A 11 -2.944 14.111 5.991 1.00 0.00 O ATOM 115 CB ASP A 11 -1.719 16.992 4.889 1.00 0.00 C ATOM 116 CG ASP A 11 -2.246 18.212 4.159 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.461 18.254 3.874 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.443 19.125 3.872 1.00 0.00 O ATOM 0 H ASP A 11 -2.037 18.202 7.012 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.692 16.481 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.757 17.231 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.543 16.191 4.171 1.00 0.00 H new ATOM 123 N LEU A 12 -1.261 14.972 7.212 1.00 0.00 N ATOM 124 CA LEU A 12 -0.798 13.674 7.691 1.00 0.00 C ATOM 125 C LEU A 12 -1.883 12.976 8.505 1.00 0.00 C ATOM 126 O LEU A 12 -2.118 11.779 8.346 1.00 0.00 O ATOM 127 CB LEU A 12 0.464 13.842 8.538 1.00 0.00 C ATOM 128 CG LEU A 12 1.746 14.177 7.774 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.338 12.922 7.150 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.472 15.227 6.708 1.00 0.00 C ATOM 0 H LEU A 12 -0.720 15.765 7.556 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.566 13.055 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.284 14.630 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.628 12.920 9.096 1.00 0.00 H new ATOM 0 HG LEU A 12 2.471 14.584 8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.249 13.179 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.571 12.201 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.618 12.485 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.395 15.453 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.730 14.847 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.094 16.134 7.179 1.00 0.00 H new ATOM 142 N ALA A 13 -2.541 13.734 9.377 1.00 0.00 N ATOM 143 CA ALA A 13 -3.603 13.189 10.213 1.00 0.00 C ATOM 144 C ALA A 13 -4.659 12.484 9.369 1.00 0.00 C ATOM 145 O ALA A 13 -5.110 11.389 9.709 1.00 0.00 O ATOM 146 CB ALA A 13 -4.239 14.293 11.044 1.00 0.00 C ATOM 0 H ALA A 13 -2.357 14.727 9.522 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.162 12.452 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.031 13.872 11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.483 14.750 11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.660 15.050 10.382 1.00 0.00 H new ATOM 152 N LEU A 14 -5.050 13.117 8.269 1.00 0.00 N ATOM 153 CA LEU A 14 -6.055 12.550 7.376 1.00 0.00 C ATOM 154 C LEU A 14 -5.544 11.269 6.725 1.00 0.00 C ATOM 155 O LEU A 14 -6.230 10.246 6.724 1.00 0.00 O ATOM 156 CB LEU A 14 -6.438 13.565 6.298 1.00 0.00 C ATOM 157 CG LEU A 14 -7.252 14.771 6.770 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.380 15.798 5.655 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.626 14.331 7.252 1.00 0.00 C ATOM 0 H LEU A 14 -4.687 14.023 7.974 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.937 12.308 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.524 13.930 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.007 13.047 5.526 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.727 15.235 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.962 16.649 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.388 16.136 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.882 15.346 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.191 15.202 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.159 13.842 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.514 13.633 8.082 1.00 0.00 H new ATOM 171 N CYS A 15 -4.336 11.331 6.176 1.00 0.00 N ATOM 172 CA CYS A 15 -3.733 10.175 5.523 1.00 0.00 C ATOM 173 C CYS A 15 -3.913 8.918 6.368 1.00 0.00 C ATOM 174 O CYS A 15 -4.393 7.894 5.882 1.00 0.00 O ATOM 175 CB CYS A 15 -2.245 10.425 5.270 1.00 0.00 C ATOM 176 SG CYS A 15 -1.908 11.802 4.148 1.00 0.00 S ATOM 0 H CYS A 15 -3.755 12.169 6.170 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.237 10.024 4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.753 10.618 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.800 9.519 4.859 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.249 12.920 4.718 1.00 0.00 H new ATOM 182 N SER A 16 -3.523 9.002 7.636 1.00 0.00 N ATOM 183 CA SER A 16 -3.636 7.870 8.548 1.00 0.00 C ATOM 184 C SER A 16 -5.008 7.213 8.430 1.00 0.00 C ATOM 185 O SER A 16 -5.142 5.999 8.579 1.00 0.00 O ATOM 186 CB SER A 16 -3.396 8.323 9.989 1.00 0.00 C ATOM 187 OG SER A 16 -3.745 7.302 10.909 1.00 0.00 O ATOM 0 H SER A 16 -3.126 9.843 8.055 1.00 0.00 H new ATOM 0 HA SER A 16 -2.877 7.137 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.348 8.592 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.983 9.218 10.195 1.00 0.00 H new ATOM 0 HG SER A 16 -3.581 7.615 11.823 1.00 0.00 H new ATOM 193 N MET A 17 -6.025 8.026 8.163 1.00 0.00 N ATOM 194 CA MET A 17 -7.387 7.525 8.024 1.00 0.00 C ATOM 195 C MET A 17 -7.517 6.635 6.792 1.00 0.00 C ATOM 196 O MET A 17 -7.774 5.436 6.905 1.00 0.00 O ATOM 197 CB MET A 17 -8.375 8.689 7.933 1.00 0.00 C ATOM 198 CG MET A 17 -8.163 9.751 9.000 1.00 0.00 C ATOM 199 SD MET A 17 -9.690 10.599 9.450 1.00 0.00 S ATOM 200 CE MET A 17 -10.255 11.153 7.843 1.00 0.00 C ATOM 0 H MET A 17 -5.931 9.034 8.039 1.00 0.00 H new ATOM 0 HA MET A 17 -7.619 6.929 8.907 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.289 9.151 6.950 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.390 8.301 8.015 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.734 9.287 9.888 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.439 10.482 8.641 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.017 11.922 7.970 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.415 11.565 7.284 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.677 10.310 7.295 1.00 0.00 H new ATOM 210 N ILE A 18 -7.337 7.230 5.617 1.00 0.00 N ATOM 211 CA ILE A 18 -7.433 6.490 4.365 1.00 0.00 C ATOM 212 C ILE A 18 -6.579 5.228 4.405 1.00 0.00 C ATOM 213 O ILE A 18 -7.066 4.127 4.147 1.00 0.00 O ATOM 214 CB ILE A 18 -6.997 7.354 3.166 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.874 8.604 3.065 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.066 6.546 1.879 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.192 9.765 2.376 1.00 0.00 C ATOM 0 H ILE A 18 -7.124 8.221 5.506 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.480 6.213 4.242 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.965 7.669 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.786 8.355 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.172 8.911 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.755 7.170 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.404 5.684 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.089 6.205 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.871 10.617 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.294 10.040 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.918 9.476 1.361 1.00 0.00 H new ATOM 229 N LEU A 19 -5.302 5.394 4.732 1.00 0.00 N ATOM 230 CA LEU A 19 -4.379 4.268 4.808 1.00 0.00 C ATOM 231 C LEU A 19 -4.968 3.136 5.644 1.00 0.00 C ATOM 232 O LEU A 19 -5.120 2.011 5.166 1.00 0.00 O ATOM 233 CB LEU A 19 -3.044 4.716 5.406 1.00 0.00 C ATOM 234 CG LEU A 19 -1.988 3.625 5.585 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.588 3.044 4.238 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.770 4.176 6.313 1.00 0.00 C ATOM 0 H LEU A 19 -4.883 6.298 4.949 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.212 3.899 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.627 5.496 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.238 5.169 6.378 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.417 2.826 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.836 2.269 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.464 2.612 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.177 3.834 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.029 3.386 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.339 4.994 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.068 4.544 7.295 1.00 0.00 H new ATOM 248 N THR A 20 -5.302 3.442 6.894 1.00 0.00 N ATOM 249 CA THR A 20 -5.876 2.451 7.795 1.00 0.00 C ATOM 250 C THR A 20 -6.986 1.662 7.110 1.00 0.00 C ATOM 251 O THR A 20 -6.893 0.444 6.963 1.00 0.00 O ATOM 252 CB THR A 20 -6.442 3.110 9.068 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.381 3.703 9.825 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.175 2.090 9.926 1.00 0.00 C ATOM 0 H THR A 20 -5.185 4.368 7.305 1.00 0.00 H new ATOM 0 HA THR A 20 -5.069 1.773 8.073 1.00 0.00 H new ATOM 0 HB THR A 20 -7.149 3.883 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.036 4.486 9.347 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.565 2.579 10.819 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.000 1.661 9.357 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.486 1.298 10.218 1.00 0.00 H new ATOM 262 N GLU A 21 -8.035 2.364 6.693 1.00 0.00 N ATOM 263 CA GLU A 21 -9.162 1.727 6.023 1.00 0.00 C ATOM 264 C GLU A 21 -8.679 0.731 4.972 1.00 0.00 C ATOM 265 O GLU A 21 -9.040 -0.445 5.005 1.00 0.00 O ATOM 266 CB GLU A 21 -10.057 2.781 5.368 1.00 0.00 C ATOM 267 CG GLU A 21 -10.623 3.794 6.349 1.00 0.00 C ATOM 268 CD GLU A 21 -11.832 3.268 7.098 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.676 2.599 6.466 1.00 0.00 O ATOM 270 OE2 GLU A 21 -11.934 3.525 8.316 1.00 0.00 O ATOM 0 H GLU A 21 -8.128 3.373 6.807 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.738 1.186 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.485 3.308 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.881 2.280 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.850 4.072 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.900 4.700 5.810 1.00 0.00 H new ATOM 277 N MET A 22 -7.860 1.211 4.042 1.00 0.00 N ATOM 278 CA MET A 22 -7.326 0.363 2.983 1.00 0.00 C ATOM 279 C MET A 22 -6.601 -0.845 3.566 1.00 0.00 C ATOM 280 O MET A 22 -6.765 -1.968 3.091 1.00 0.00 O ATOM 281 CB MET A 22 -6.375 1.163 2.091 1.00 0.00 C ATOM 282 CG MET A 22 -7.049 2.313 1.361 1.00 0.00 C ATOM 283 SD MET A 22 -6.171 2.793 -0.140 1.00 0.00 S ATOM 284 CE MET A 22 -4.541 3.139 0.517 1.00 0.00 C ATOM 0 H MET A 22 -7.552 2.182 4.000 1.00 0.00 H new ATOM 0 HA MET A 22 -8.162 0.006 2.382 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.563 1.557 2.702 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.926 0.492 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.069 2.027 1.105 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.116 3.172 2.028 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.132 4.023 0.028 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.612 3.318 1.590 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.886 2.287 0.334 1.00 0.00 H new ATOM 294 N GLU A 23 -5.798 -0.605 4.599 1.00 0.00 N ATOM 295 CA GLU A 23 -5.046 -1.674 5.245 1.00 0.00 C ATOM 296 C GLU A 23 -5.983 -2.769 5.751 1.00 0.00 C ATOM 297 O GLU A 23 -5.562 -3.902 5.986 1.00 0.00 O ATOM 298 CB GLU A 23 -4.221 -1.118 6.407 1.00 0.00 C ATOM 299 CG GLU A 23 -2.987 -0.349 5.964 1.00 0.00 C ATOM 300 CD GLU A 23 -2.172 0.169 7.133 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.558 1.205 7.713 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.147 -0.462 7.467 1.00 0.00 O ATOM 0 H GLU A 23 -5.652 0.319 5.005 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.373 -2.108 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.851 -0.462 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.914 -1.942 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.362 -0.996 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.291 0.490 5.338 1.00 0.00 H new ATOM 309 N THR A 24 -7.255 -2.421 5.916 1.00 0.00 N ATOM 310 CA THR A 24 -8.251 -3.371 6.395 1.00 0.00 C ATOM 311 C THR A 24 -9.131 -3.867 5.253 1.00 0.00 C ATOM 312 O THR A 24 -10.314 -4.149 5.445 1.00 0.00 O ATOM 313 CB THR A 24 -9.145 -2.747 7.483 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.951 -1.707 6.918 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.303 -2.183 8.618 1.00 0.00 C ATOM 0 H THR A 24 -7.620 -1.488 5.725 1.00 0.00 H new ATOM 0 HA THR A 24 -7.706 -4.213 6.822 1.00 0.00 H new ATOM 0 HB THR A 24 -9.790 -3.529 7.884 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.375 -1.058 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.956 -1.748 9.374 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.713 -2.983 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.636 -1.414 8.229 1.00 0.00 H new ATOM 323 N HIS A 25 -8.545 -3.974 4.065 1.00 0.00 N ATOM 324 CA HIS A 25 -9.277 -4.438 2.891 1.00 0.00 C ATOM 325 C HIS A 25 -8.979 -5.909 2.613 1.00 0.00 C ATOM 326 O HIS A 25 -7.865 -6.379 2.840 1.00 0.00 O ATOM 327 CB HIS A 25 -8.915 -3.592 1.671 1.00 0.00 C ATOM 328 CG HIS A 25 -10.030 -3.461 0.680 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.096 -4.200 -0.482 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.130 -2.672 0.685 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.186 -3.869 -1.151 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.832 -2.944 -0.463 1.00 0.00 N ATOM 0 H HIS A 25 -7.566 -3.746 3.889 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.343 -4.333 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.618 -2.598 2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.050 -4.034 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.404 -1.961 1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.496 -4.284 -2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.709 -2.504 -0.740 1.00 0.00 H new ATOM 340 N GLU A 26 -9.983 -6.628 2.120 1.00 0.00 N ATOM 341 CA GLU A 26 -9.828 -8.045 1.812 1.00 0.00 C ATOM 342 C GLU A 26 -8.849 -8.247 0.658 1.00 0.00 C ATOM 343 O GLU A 26 -8.502 -9.377 0.316 1.00 0.00 O ATOM 344 CB GLU A 26 -11.182 -8.664 1.461 1.00 0.00 C ATOM 345 CG GLU A 26 -11.758 -8.164 0.148 1.00 0.00 C ATOM 346 CD GLU A 26 -12.944 -8.985 -0.320 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.043 -8.815 0.249 1.00 0.00 O ATOM 348 OE2 GLU A 26 -12.774 -9.797 -1.253 1.00 0.00 O ATOM 0 H GLU A 26 -10.911 -6.253 1.926 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.428 -8.541 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.075 -9.748 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.889 -8.450 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.064 -7.124 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.982 -8.186 -0.617 1.00 0.00 H new ATOM 355 N ASP A 27 -8.410 -7.143 0.063 1.00 0.00 N ATOM 356 CA ASP A 27 -7.471 -7.198 -1.052 1.00 0.00 C ATOM 357 C ASP A 27 -6.346 -6.185 -0.865 1.00 0.00 C ATOM 358 O ASP A 27 -5.814 -5.648 -1.835 1.00 0.00 O ATOM 359 CB ASP A 27 -8.198 -6.934 -2.371 1.00 0.00 C ATOM 360 CG ASP A 27 -8.712 -8.207 -3.014 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.882 -9.070 -3.369 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.945 -8.340 -3.162 1.00 0.00 O ATOM 0 H ASP A 27 -8.689 -6.200 0.334 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.035 -8.197 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.034 -6.257 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.521 -6.430 -3.061 1.00 0.00 H new ATOM 367 N ALA A 28 -5.989 -5.930 0.390 1.00 0.00 N ATOM 368 CA ALA A 28 -4.926 -4.983 0.704 1.00 0.00 C ATOM 369 C ALA A 28 -3.796 -5.661 1.471 1.00 0.00 C ATOM 370 O ALA A 28 -2.808 -5.021 1.831 1.00 0.00 O ATOM 371 CB ALA A 28 -5.481 -3.813 1.503 1.00 0.00 C ATOM 0 H ALA A 28 -6.420 -6.366 1.205 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.519 -4.607 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.677 -3.114 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.249 -3.305 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.916 -4.181 2.432 1.00 0.00 H new ATOM 377 N TRP A 29 -3.948 -6.957 1.716 1.00 0.00 N ATOM 378 CA TRP A 29 -2.939 -7.721 2.442 1.00 0.00 C ATOM 379 C TRP A 29 -1.707 -7.954 1.575 1.00 0.00 C ATOM 380 O TRP A 29 -0.580 -8.045 2.063 1.00 0.00 O ATOM 381 CB TRP A 29 -3.517 -9.061 2.900 1.00 0.00 C ATOM 382 CG TRP A 29 -3.844 -9.986 1.768 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.087 -10.293 1.293 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.913 -10.725 0.969 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.985 -11.179 0.247 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.662 -11.459 0.028 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.520 -10.836 0.955 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.063 -12.292 -0.913 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.927 -11.664 0.021 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.698 -12.382 -0.904 1.00 0.00 C ATOM 0 H TRP A 29 -4.759 -7.501 1.423 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.641 -7.144 3.317 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.803 -9.549 3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.420 -8.879 3.483 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.014 -9.898 1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.768 -11.565 -0.281 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.918 -10.284 1.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.655 -12.848 -1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.149 -11.760 0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.205 -13.019 -1.624 1.00 0.00 H new ATOM 401 N PRO A 30 -1.920 -8.055 0.255 1.00 0.00 N ATOM 402 CA PRO A 30 -0.758 -8.280 -0.610 1.00 0.00 C ATOM 403 C PRO A 30 0.392 -7.329 -0.295 1.00 0.00 C ATOM 404 O PRO A 30 1.544 -7.598 -0.635 1.00 0.00 O ATOM 405 CB PRO A 30 -1.305 -8.011 -2.014 1.00 0.00 C ATOM 406 CG PRO A 30 -2.764 -8.294 -1.914 1.00 0.00 C ATOM 407 CD PRO A 30 -3.176 -7.975 -0.509 1.00 0.00 C ATOM 0 HA PRO A 30 -0.342 -9.280 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.122 -6.981 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.827 -8.653 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.324 -7.689 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.972 -9.338 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.624 -6.984 -0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.915 -8.685 -0.138 1.00 0.00 H new ATOM 415 N PHE A 31 0.072 -6.216 0.357 1.00 0.00 N ATOM 416 CA PHE A 31 1.078 -5.225 0.717 1.00 0.00 C ATOM 417 C PHE A 31 1.271 -5.171 2.230 1.00 0.00 C ATOM 418 O PHE A 31 2.379 -4.943 2.719 1.00 0.00 O ATOM 419 CB PHE A 31 0.677 -3.845 0.193 1.00 0.00 C ATOM 420 CG PHE A 31 -0.153 -3.897 -1.058 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.531 -4.018 -0.986 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.445 -3.823 -2.305 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.297 -4.067 -2.136 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.315 -3.871 -3.458 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.688 -3.992 -3.373 1.00 0.00 C ATOM 0 H PHE A 31 -0.877 -5.978 0.647 1.00 0.00 H new ATOM 0 HA PHE A 31 2.022 -5.519 0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.119 -3.319 0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.578 -3.263 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.012 -4.075 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.518 -3.727 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.370 -4.164 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.164 -3.814 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.285 -4.028 -4.273 1.00 0.00 H new ATOM 435 N LEU A 32 0.186 -5.381 2.966 1.00 0.00 N ATOM 436 CA LEU A 32 0.233 -5.356 4.424 1.00 0.00 C ATOM 437 C LEU A 32 1.581 -5.858 4.934 1.00 0.00 C ATOM 438 O LEU A 32 2.122 -5.335 5.908 1.00 0.00 O ATOM 439 CB LEU A 32 -0.895 -6.210 5.006 1.00 0.00 C ATOM 440 CG LEU A 32 -2.266 -5.538 5.097 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.269 -6.462 5.770 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.165 -4.219 5.849 1.00 0.00 C ATOM 0 H LEU A 32 -0.738 -5.571 2.577 1.00 0.00 H new ATOM 0 HA LEU A 32 0.103 -4.324 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.993 -7.110 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.602 -6.531 6.006 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.616 -5.330 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.239 -5.967 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.363 -7.381 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.925 -6.701 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.150 -3.755 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.794 -4.403 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.479 -3.553 5.325 1.00 0.00 H new ATOM 454 N LEU A 33 2.117 -6.875 4.268 1.00 0.00 N ATOM 455 CA LEU A 33 3.403 -7.447 4.651 1.00 0.00 C ATOM 456 C LEU A 33 4.457 -7.184 3.580 1.00 0.00 C ATOM 457 O LEU A 33 4.170 -7.164 2.383 1.00 0.00 O ATOM 458 CB LEU A 33 3.264 -8.951 4.888 1.00 0.00 C ATOM 459 CG LEU A 33 2.450 -9.366 6.114 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.263 -10.875 6.146 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.123 -8.882 7.390 1.00 0.00 C ATOM 0 H LEU A 33 1.681 -7.320 3.460 1.00 0.00 H new ATOM 0 HA LEU A 33 3.725 -6.968 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.806 -9.397 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.263 -9.378 4.979 1.00 0.00 H new ATOM 0 HG LEU A 33 1.466 -8.901 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.681 -11.151 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.736 -11.195 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.237 -11.362 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.530 -9.186 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.120 -9.317 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.202 -7.795 7.370 1.00 0.00 H new ATOM 473 N PRO A 34 5.709 -6.980 4.018 1.00 0.00 N ATOM 474 CA PRO A 34 6.832 -6.718 3.113 1.00 0.00 C ATOM 475 C PRO A 34 7.214 -7.946 2.293 1.00 0.00 C ATOM 476 O PRO A 34 6.946 -9.080 2.692 1.00 0.00 O ATOM 477 CB PRO A 34 7.969 -6.333 4.062 1.00 0.00 C ATOM 478 CG PRO A 34 7.625 -6.992 5.353 1.00 0.00 C ATOM 479 CD PRO A 34 6.124 -6.991 5.431 1.00 0.00 C ATOM 0 HA PRO A 34 6.593 -5.949 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.932 -6.678 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.040 -5.251 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.017 -8.008 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.060 -6.453 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.748 -7.871 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.750 -6.118 5.966 1.00 0.00 H new ATOM 487 N VAL A 35 7.841 -7.713 1.145 1.00 0.00 N ATOM 488 CA VAL A 35 8.262 -8.801 0.269 1.00 0.00 C ATOM 489 C VAL A 35 9.705 -9.205 0.550 1.00 0.00 C ATOM 490 O VAL A 35 10.590 -8.356 0.648 1.00 0.00 O ATOM 491 CB VAL A 35 8.129 -8.410 -1.214 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.845 -7.096 -1.487 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.669 -9.517 -2.107 1.00 0.00 C ATOM 0 H VAL A 35 8.069 -6.781 0.799 1.00 0.00 H new ATOM 0 HA VAL A 35 7.605 -9.646 0.474 1.00 0.00 H new ATOM 0 HB VAL A 35 7.072 -8.273 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.740 -6.836 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.407 -6.309 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.902 -7.200 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.567 -9.224 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.721 -9.688 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.106 -10.434 -1.931 1.00 0.00 H new ATOM 503 N ASN A 36 9.935 -10.508 0.676 1.00 0.00 N ATOM 504 CA ASN A 36 11.272 -11.025 0.946 1.00 0.00 C ATOM 505 C ASN A 36 12.086 -11.123 -0.341 1.00 0.00 C ATOM 506 O ASN A 36 11.866 -12.015 -1.162 1.00 0.00 O ATOM 507 CB ASN A 36 11.184 -12.399 1.613 1.00 0.00 C ATOM 508 CG ASN A 36 11.060 -12.302 3.121 1.00 0.00 C ATOM 509 OD1 ASN A 36 9.958 -12.343 3.669 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.194 -12.173 3.801 1.00 0.00 N ATOM 0 H ASN A 36 9.214 -11.225 0.596 1.00 0.00 H new ATOM 0 HA ASN A 36 11.774 -10.332 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.325 -12.939 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.071 -12.980 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.173 -12.103 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.085 -12.144 3.306 1.00 0.00 H new ATOM 517 N LEU A 37 13.028 -10.202 -0.510 1.00 0.00 N ATOM 518 CA LEU A 37 13.877 -10.184 -1.696 1.00 0.00 C ATOM 519 C LEU A 37 14.762 -11.426 -1.751 1.00 0.00 C ATOM 520 O LEU A 37 15.022 -11.970 -2.824 1.00 0.00 O ATOM 521 CB LEU A 37 14.745 -8.925 -1.707 1.00 0.00 C ATOM 522 CG LEU A 37 14.016 -7.606 -1.448 1.00 0.00 C ATOM 523 CD1 LEU A 37 15.003 -6.450 -1.406 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.955 -7.364 -2.512 1.00 0.00 C ATOM 0 H LEU A 37 13.223 -9.458 0.159 1.00 0.00 H new ATOM 0 HA LEU A 37 13.232 -10.181 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.526 -9.039 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.242 -8.859 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 37 13.522 -7.671 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.466 -5.520 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.725 -6.617 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.526 -6.383 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.447 -6.421 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.427 -7.320 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.230 -8.178 -2.495 1.00 0.00 H new ATOM 536 N LYS A 38 15.221 -11.870 -0.586 1.00 0.00 N ATOM 537 CA LYS A 38 16.075 -13.049 -0.499 1.00 0.00 C ATOM 538 C LYS A 38 15.317 -14.302 -0.926 1.00 0.00 C ATOM 539 O LYS A 38 15.882 -15.198 -1.554 1.00 0.00 O ATOM 540 CB LYS A 38 16.600 -13.220 0.928 1.00 0.00 C ATOM 541 CG LYS A 38 17.334 -12.000 1.457 1.00 0.00 C ATOM 542 CD LYS A 38 17.370 -11.985 2.976 1.00 0.00 C ATOM 543 CE LYS A 38 16.126 -11.331 3.557 1.00 0.00 C ATOM 544 NZ LYS A 38 16.285 -9.856 3.689 1.00 0.00 N ATOM 0 H LYS A 38 15.016 -11.431 0.312 1.00 0.00 H new ATOM 0 HA LYS A 38 16.918 -12.907 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.763 -13.445 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.271 -14.079 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.352 -11.990 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.846 -11.095 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.454 -13.006 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.256 -11.448 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.270 -11.548 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.912 -11.762 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.416 -9.448 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.086 -9.648 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.464 -9.441 2.752 1.00 0.00 H new ATOM 558 N LEU A 39 14.034 -14.358 -0.583 1.00 0.00 N ATOM 559 CA LEU A 39 13.198 -15.501 -0.932 1.00 0.00 C ATOM 560 C LEU A 39 12.723 -15.406 -2.379 1.00 0.00 C ATOM 561 O LEU A 39 12.971 -16.302 -3.185 1.00 0.00 O ATOM 562 CB LEU A 39 11.994 -15.583 0.008 1.00 0.00 C ATOM 563 CG LEU A 39 12.313 -15.748 1.494 1.00 0.00 C ATOM 564 CD1 LEU A 39 11.039 -15.990 2.289 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.300 -16.887 1.704 1.00 0.00 C ATOM 0 H LEU A 39 13.551 -13.625 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 39 13.797 -16.405 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.399 -14.679 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.371 -16.421 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 39 12.771 -14.826 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.285 -16.105 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.365 -15.142 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.552 -16.896 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.516 -16.990 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.869 -17.816 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.223 -16.672 1.166 1.00 0.00 H new ATOM 577 N VAL A 40 12.039 -14.312 -2.701 1.00 0.00 N ATOM 578 CA VAL A 40 11.532 -14.098 -4.051 1.00 0.00 C ATOM 579 C VAL A 40 12.662 -14.124 -5.073 1.00 0.00 C ATOM 580 O VAL A 40 13.701 -13.486 -4.904 1.00 0.00 O ATOM 581 CB VAL A 40 10.785 -12.755 -4.163 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.170 -12.600 -5.546 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.720 -12.647 -3.082 1.00 0.00 C ATOM 0 H VAL A 40 11.824 -13.561 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 40 10.837 -14.911 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 40 11.502 -11.947 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.647 -11.646 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.957 -12.631 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.465 -13.412 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.202 -11.693 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.004 -13.461 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.190 -12.710 -2.101 1.00 0.00 H new ATOM 593 N PRO A 41 12.458 -14.880 -6.162 1.00 0.00 N ATOM 594 CA PRO A 41 13.448 -15.008 -7.235 1.00 0.00 C ATOM 595 C PRO A 41 13.603 -13.721 -8.038 1.00 0.00 C ATOM 596 O PRO A 41 12.985 -13.555 -9.089 1.00 0.00 O ATOM 597 CB PRO A 41 12.876 -16.122 -8.116 1.00 0.00 C ATOM 598 CG PRO A 41 11.408 -16.086 -7.865 1.00 0.00 C ATOM 599 CD PRO A 41 11.243 -15.668 -6.430 1.00 0.00 C ATOM 0 HA PRO A 41 14.444 -15.222 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.102 -15.950 -9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.299 -17.092 -7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.915 -15.382 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.958 -17.063 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.340 -15.075 -6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.168 -16.530 -5.767 1.00 0.00 H new ATOM 607 N GLY A 42 14.432 -12.811 -7.535 1.00 0.00 N ATOM 608 CA GLY A 42 14.653 -11.550 -8.219 1.00 0.00 C ATOM 609 C GLY A 42 13.411 -10.682 -8.249 1.00 0.00 C ATOM 610 O GLY A 42 12.633 -10.731 -9.202 1.00 0.00 O ATOM 0 H GLY A 42 14.954 -12.925 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.459 -11.008 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.980 -11.746 -9.240 1.00 0.00 H new ATOM 614 N TYR A 43 13.222 -9.886 -7.202 1.00 0.00 N ATOM 615 CA TYR A 43 12.064 -9.005 -7.110 1.00 0.00 C ATOM 616 C TYR A 43 12.460 -7.555 -7.367 1.00 0.00 C ATOM 617 O TYR A 43 11.758 -6.820 -8.063 1.00 0.00 O ATOM 618 CB TYR A 43 11.409 -9.132 -5.734 1.00 0.00 C ATOM 619 CG TYR A 43 10.100 -8.385 -5.615 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.909 -8.957 -6.046 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.053 -7.107 -5.071 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.711 -8.279 -5.940 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.859 -6.421 -4.960 1.00 0.00 C ATOM 624 CZ TYR A 43 7.691 -7.011 -5.396 1.00 0.00 C ATOM 625 OH TYR A 43 6.499 -6.332 -5.288 1.00 0.00 O ATOM 0 H TYR A 43 13.856 -9.833 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 43 11.348 -9.307 -7.875 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.237 -10.187 -5.519 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.100 -8.761 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.921 -9.950 -6.471 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.966 -6.642 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.795 -8.738 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.840 -5.429 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 43 6.658 -5.454 -4.883 1.00 0.00 H new ATOM 635 N LYS A 44 13.590 -7.148 -6.799 1.00 0.00 N ATOM 636 CA LYS A 44 14.084 -5.786 -6.966 1.00 0.00 C ATOM 637 C LYS A 44 14.258 -5.448 -8.443 1.00 0.00 C ATOM 638 O LYS A 44 13.668 -4.491 -8.945 1.00 0.00 O ATOM 639 CB LYS A 44 15.414 -5.610 -6.231 1.00 0.00 C ATOM 640 CG LYS A 44 15.262 -5.445 -4.728 1.00 0.00 C ATOM 641 CD LYS A 44 14.824 -4.036 -4.364 1.00 0.00 C ATOM 642 CE LYS A 44 16.015 -3.099 -4.230 1.00 0.00 C ATOM 643 NZ LYS A 44 16.955 -3.546 -3.165 1.00 0.00 N ATOM 0 H LYS A 44 14.182 -7.742 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 44 13.348 -5.104 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.047 -6.475 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.929 -4.738 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.531 -6.162 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.209 -5.671 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.145 -3.656 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.269 -4.057 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.544 -3.045 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.662 -2.093 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.478 -2.726 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.419 -3.990 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.626 -4.235 -3.561 1.00 0.00 H new ATOM 657 N LYS A 45 15.072 -6.239 -9.134 1.00 0.00 N ATOM 658 CA LYS A 45 15.322 -6.026 -10.555 1.00 0.00 C ATOM 659 C LYS A 45 14.074 -5.497 -11.254 1.00 0.00 C ATOM 660 O LYS A 45 14.129 -4.499 -11.974 1.00 0.00 O ATOM 661 CB LYS A 45 15.776 -7.330 -11.215 1.00 0.00 C ATOM 662 CG LYS A 45 17.024 -7.927 -10.589 1.00 0.00 C ATOM 663 CD LYS A 45 17.413 -9.234 -11.258 1.00 0.00 C ATOM 664 CE LYS A 45 18.128 -10.165 -10.289 1.00 0.00 C ATOM 665 NZ LYS A 45 19.033 -11.112 -10.997 1.00 0.00 N ATOM 0 H LYS A 45 15.570 -7.034 -8.733 1.00 0.00 H new ATOM 0 HA LYS A 45 16.113 -5.283 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.967 -8.058 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.963 -7.146 -12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.847 -7.217 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.853 -8.098 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.520 -9.726 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.059 -9.029 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.705 -9.575 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.391 -10.727 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.501 -11.729 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.479 -11.693 -11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.752 -10.577 -11.525 1.00 0.00 H new ATOM 679 N VAL A 46 12.949 -6.170 -11.037 1.00 0.00 N ATOM 680 CA VAL A 46 11.687 -5.766 -11.644 1.00 0.00 C ATOM 681 C VAL A 46 11.087 -4.567 -10.919 1.00 0.00 C ATOM 682 O VAL A 46 10.597 -3.629 -11.549 1.00 0.00 O ATOM 683 CB VAL A 46 10.666 -6.920 -11.637 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.377 -6.497 -12.325 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.254 -8.155 -12.302 1.00 0.00 C ATOM 0 H VAL A 46 12.886 -6.998 -10.445 1.00 0.00 H new ATOM 0 HA VAL A 46 11.906 -5.490 -12.676 1.00 0.00 H new ATOM 0 HB VAL A 46 10.432 -7.169 -10.602 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.668 -7.325 -12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.948 -5.643 -11.801 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.590 -6.220 -13.357 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.519 -8.960 -12.288 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.518 -7.922 -13.334 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.147 -8.469 -11.761 1.00 0.00 H new ATOM 695 N ILE A 47 11.129 -4.604 -9.592 1.00 0.00 N ATOM 696 CA ILE A 47 10.591 -3.519 -8.780 1.00 0.00 C ATOM 697 C ILE A 47 11.692 -2.554 -8.352 1.00 0.00 C ATOM 698 O ILE A 47 12.554 -2.898 -7.543 1.00 0.00 O ATOM 699 CB ILE A 47 9.877 -4.055 -7.526 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.719 -4.972 -7.924 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.375 -2.902 -6.669 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.798 -4.368 -8.961 1.00 0.00 C ATOM 0 H ILE A 47 11.530 -5.373 -9.056 1.00 0.00 H new ATOM 0 HA ILE A 47 9.868 -2.989 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 47 10.590 -4.635 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.123 -5.908 -8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.139 -5.218 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.872 -3.297 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.218 -2.284 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.674 -2.298 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.001 -5.074 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.365 -3.447 -8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.364 -4.147 -9.866 1.00 0.00 H new ATOM 714 N LYS A 48 11.656 -1.344 -8.899 1.00 0.00 N ATOM 715 CA LYS A 48 12.649 -0.327 -8.572 1.00 0.00 C ATOM 716 C LYS A 48 12.545 0.083 -7.106 1.00 0.00 C ATOM 717 O LYS A 48 13.543 0.106 -6.385 1.00 0.00 O ATOM 718 CB LYS A 48 12.467 0.899 -9.469 1.00 0.00 C ATOM 719 CG LYS A 48 12.797 0.639 -10.929 1.00 0.00 C ATOM 720 CD LYS A 48 14.274 0.335 -11.121 1.00 0.00 C ATOM 721 CE LYS A 48 14.631 0.215 -12.595 1.00 0.00 C ATOM 722 NZ LYS A 48 16.099 0.326 -12.820 1.00 0.00 N ATOM 0 H LYS A 48 10.950 -1.043 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 48 13.638 -0.752 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.436 1.244 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.100 1.706 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.202 -0.198 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.523 1.509 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.871 1.124 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.525 -0.593 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.276 -0.742 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.117 0.994 -13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.302 0.239 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.434 1.249 -12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.588 -0.433 -12.303 1.00 0.00 H new ATOM 736 N LYS A 49 11.332 0.404 -6.671 1.00 0.00 N ATOM 737 CA LYS A 49 11.097 0.811 -5.290 1.00 0.00 C ATOM 738 C LYS A 49 9.969 -0.006 -4.667 1.00 0.00 C ATOM 739 O LYS A 49 8.797 0.367 -4.721 1.00 0.00 O ATOM 740 CB LYS A 49 10.757 2.301 -5.227 1.00 0.00 C ATOM 741 CG LYS A 49 11.973 3.196 -5.063 1.00 0.00 C ATOM 742 CD LYS A 49 11.594 4.667 -5.113 1.00 0.00 C ATOM 743 CE LYS A 49 11.071 5.154 -3.770 1.00 0.00 C ATOM 744 NZ LYS A 49 10.873 6.630 -3.754 1.00 0.00 N ATOM 0 H LYS A 49 10.496 0.390 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 49 12.010 0.629 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.229 2.583 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.074 2.474 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.461 2.977 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.695 2.978 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.463 5.258 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.834 4.822 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.126 4.658 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.772 4.873 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.516 6.922 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.780 7.104 -3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.185 6.896 -4.487 1.00 0.00 H new ATOM 758 N PRO A 50 10.329 -1.147 -4.061 1.00 0.00 N ATOM 759 CA PRO A 50 9.361 -2.039 -3.414 1.00 0.00 C ATOM 760 C PRO A 50 8.774 -1.434 -2.144 1.00 0.00 C ATOM 761 O PRO A 50 9.396 -1.471 -1.082 1.00 0.00 O ATOM 762 CB PRO A 50 10.192 -3.281 -3.081 1.00 0.00 C ATOM 763 CG PRO A 50 11.592 -2.783 -2.972 1.00 0.00 C ATOM 764 CD PRO A 50 11.707 -1.654 -3.959 1.00 0.00 C ATOM 0 HA PRO A 50 8.502 -2.243 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.862 -3.740 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.101 -4.039 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.807 -2.440 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.307 -3.574 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.394 -0.883 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.080 -2.000 -4.923 1.00 0.00 H new ATOM 772 N MET A 51 7.573 -0.877 -2.259 1.00 0.00 N ATOM 773 CA MET A 51 6.902 -0.265 -1.118 1.00 0.00 C ATOM 774 C MET A 51 5.904 -1.233 -0.492 1.00 0.00 C ATOM 775 O MET A 51 5.583 -2.270 -1.072 1.00 0.00 O ATOM 776 CB MET A 51 6.186 1.017 -1.548 1.00 0.00 C ATOM 777 CG MET A 51 5.673 1.847 -0.382 1.00 0.00 C ATOM 778 SD MET A 51 6.948 2.177 0.849 1.00 0.00 S ATOM 779 CE MET A 51 8.194 2.977 -0.159 1.00 0.00 C ATOM 0 H MET A 51 7.045 -0.837 -3.130 1.00 0.00 H new ATOM 0 HA MET A 51 7.658 -0.018 -0.373 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.870 1.623 -2.142 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.348 0.756 -2.194 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.283 2.793 -0.758 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.842 1.325 0.092 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.938 3.445 0.486 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.679 2.236 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.724 3.737 -0.783 1.00 0.00 H new ATOM 789 N ASP A 52 5.417 -0.888 0.695 1.00 0.00 N ATOM 790 CA ASP A 52 4.454 -1.727 1.400 1.00 0.00 C ATOM 791 C ASP A 52 3.747 -0.937 2.497 1.00 0.00 C ATOM 792 O ASP A 52 4.341 -0.065 3.130 1.00 0.00 O ATOM 793 CB ASP A 52 5.153 -2.947 2.002 1.00 0.00 C ATOM 794 CG ASP A 52 6.268 -3.470 1.118 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.360 -2.863 1.117 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.049 -4.487 0.427 1.00 0.00 O ATOM 0 H ASP A 52 5.673 -0.033 1.189 1.00 0.00 H new ATOM 0 HA ASP A 52 3.707 -2.064 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.560 -2.684 2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.421 -3.738 2.165 1.00 0.00 H new ATOM 801 N PHE A 53 2.474 -1.249 2.717 1.00 0.00 N ATOM 802 CA PHE A 53 1.684 -0.568 3.736 1.00 0.00 C ATOM 803 C PHE A 53 2.387 -0.616 5.090 1.00 0.00 C ATOM 804 O PHE A 53 2.424 0.376 5.817 1.00 0.00 O ATOM 805 CB PHE A 53 0.297 -1.203 3.846 1.00 0.00 C ATOM 806 CG PHE A 53 -0.616 -0.851 2.706 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.721 0.459 2.265 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.368 -1.828 2.075 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.561 0.786 1.218 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.209 -1.507 1.027 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.305 -0.198 0.597 1.00 0.00 C ATOM 0 H PHE A 53 1.967 -1.970 2.203 1.00 0.00 H new ATOM 0 HA PHE A 53 1.575 0.475 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.405 -2.287 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.165 -0.888 4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.140 1.232 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.296 -2.853 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.636 1.811 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.791 -2.279 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.960 0.056 -0.223 1.00 0.00 H new ATOM 821 N SER A 54 2.941 -1.778 5.421 1.00 0.00 N ATOM 822 CA SER A 54 3.639 -1.958 6.689 1.00 0.00 C ATOM 823 C SER A 54 4.668 -0.852 6.905 1.00 0.00 C ATOM 824 O SER A 54 4.783 -0.299 7.999 1.00 0.00 O ATOM 825 CB SER A 54 4.326 -3.324 6.728 1.00 0.00 C ATOM 826 OG SER A 54 5.480 -3.292 7.550 1.00 0.00 O ATOM 0 H SER A 54 2.920 -2.609 4.829 1.00 0.00 H new ATOM 0 HA SER A 54 2.903 -1.907 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.630 -4.074 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.604 -3.624 5.717 1.00 0.00 H new ATOM 0 HG SER A 54 5.900 -4.178 7.559 1.00 0.00 H new ATOM 832 N THR A 55 5.415 -0.534 5.852 1.00 0.00 N ATOM 833 CA THR A 55 6.435 0.504 5.925 1.00 0.00 C ATOM 834 C THR A 55 5.813 1.893 5.852 1.00 0.00 C ATOM 835 O THR A 55 6.096 2.755 6.684 1.00 0.00 O ATOM 836 CB THR A 55 7.468 0.357 4.792 1.00 0.00 C ATOM 837 OG1 THR A 55 8.109 -0.921 4.876 1.00 0.00 O ATOM 838 CG2 THR A 55 8.514 1.459 4.866 1.00 0.00 C ATOM 0 H THR A 55 5.332 -0.981 4.939 1.00 0.00 H new ATOM 0 HA THR A 55 6.939 0.385 6.884 1.00 0.00 H new ATOM 0 HB THR A 55 6.943 0.439 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.763 -1.007 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.232 1.334 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.027 2.430 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.033 1.404 5.823 1.00 0.00 H new ATOM 846 N ILE A 56 4.963 2.104 4.852 1.00 0.00 N ATOM 847 CA ILE A 56 4.299 3.389 4.673 1.00 0.00 C ATOM 848 C ILE A 56 3.748 3.913 5.995 1.00 0.00 C ATOM 849 O ILE A 56 3.750 5.118 6.246 1.00 0.00 O ATOM 850 CB ILE A 56 3.149 3.290 3.653 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.695 2.940 2.268 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.369 4.596 3.606 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.621 2.811 1.210 1.00 0.00 C ATOM 0 H ILE A 56 4.718 1.402 4.154 1.00 0.00 H new ATOM 0 HA ILE A 56 5.050 4.083 4.296 1.00 0.00 H new ATOM 0 HB ILE A 56 2.472 2.496 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.405 3.708 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.247 2.002 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.560 4.511 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.953 4.807 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.035 5.407 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.081 2.562 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.923 2.023 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.084 3.755 1.119 1.00 0.00 H new ATOM 865 N ARG A 57 3.278 2.998 6.837 1.00 0.00 N ATOM 866 CA ARG A 57 2.725 3.368 8.135 1.00 0.00 C ATOM 867 C ARG A 57 3.777 4.058 8.998 1.00 0.00 C ATOM 868 O ARG A 57 3.599 5.203 9.412 1.00 0.00 O ATOM 869 CB ARG A 57 2.190 2.129 8.856 1.00 0.00 C ATOM 870 CG ARG A 57 0.737 1.820 8.538 1.00 0.00 C ATOM 871 CD ARG A 57 -0.200 2.847 9.154 1.00 0.00 C ATOM 872 NE ARG A 57 -0.421 2.603 10.577 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.439 3.114 11.261 1.00 0.00 C ATOM 874 NH1 ARG A 57 -2.325 3.892 10.655 1.00 0.00 N ATOM 875 NH2 ARG A 57 -1.573 2.845 12.553 1.00 0.00 N ATOM 0 H ARG A 57 3.269 1.996 6.644 1.00 0.00 H new ATOM 0 HA ARG A 57 1.904 4.066 7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.803 1.269 8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.296 2.271 9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.596 1.800 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.485 0.827 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.216 3.845 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.156 2.826 8.630 1.00 0.00 H new ATOM 0 HE ARG A 57 0.243 2.008 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.226 4.100 9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.106 4.283 11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.894 2.245 13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.355 3.238 13.077 1.00 0.00 H new ATOM 889 N GLU A 58 4.872 3.353 9.265 1.00 0.00 N ATOM 890 CA GLU A 58 5.951 3.898 10.080 1.00 0.00 C ATOM 891 C GLU A 58 6.296 5.320 9.646 1.00 0.00 C ATOM 892 O GLU A 58 6.470 6.210 10.478 1.00 0.00 O ATOM 893 CB GLU A 58 7.192 3.008 9.983 1.00 0.00 C ATOM 894 CG GLU A 58 6.960 1.585 10.463 1.00 0.00 C ATOM 895 CD GLU A 58 6.575 1.519 11.928 1.00 0.00 C ATOM 896 OE1 GLU A 58 5.476 2.003 12.275 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.370 0.985 12.728 1.00 0.00 O ATOM 0 H GLU A 58 5.035 2.404 8.929 1.00 0.00 H new ATOM 0 HA GLU A 58 5.612 3.925 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.530 2.982 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.995 3.454 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.173 1.127 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.865 0.999 10.302 1.00 0.00 H new ATOM 904 N LYS A 59 6.394 5.525 8.337 1.00 0.00 N ATOM 905 CA LYS A 59 6.717 6.837 7.789 1.00 0.00 C ATOM 906 C LYS A 59 5.580 7.824 8.035 1.00 0.00 C ATOM 907 O LYS A 59 5.773 8.864 8.666 1.00 0.00 O ATOM 908 CB LYS A 59 7.000 6.731 6.289 1.00 0.00 C ATOM 909 CG LYS A 59 8.140 5.787 5.950 1.00 0.00 C ATOM 910 CD LYS A 59 8.328 5.656 4.448 1.00 0.00 C ATOM 911 CE LYS A 59 8.923 6.921 3.849 1.00 0.00 C ATOM 912 NZ LYS A 59 10.412 6.892 3.857 1.00 0.00 N ATOM 0 H LYS A 59 6.254 4.798 7.635 1.00 0.00 H new ATOM 0 HA LYS A 59 7.610 7.205 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.097 6.394 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.233 7.723 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.062 6.152 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.941 4.805 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.980 4.809 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.368 5.446 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.568 7.040 2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.574 7.788 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.778 7.865 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.745 6.414 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.754 6.377 3.021 1.00 0.00 H new ATOM 926 N LEU A 60 4.396 7.491 7.534 1.00 0.00 N ATOM 927 CA LEU A 60 3.227 8.348 7.700 1.00 0.00 C ATOM 928 C LEU A 60 3.121 8.852 9.136 1.00 0.00 C ATOM 929 O LEU A 60 3.163 10.057 9.386 1.00 0.00 O ATOM 930 CB LEU A 60 1.955 7.588 7.320 1.00 0.00 C ATOM 931 CG LEU A 60 0.781 8.443 6.841 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.520 7.660 6.929 1.00 0.00 C ATOM 933 CD2 LEU A 60 0.689 9.726 7.653 1.00 0.00 C ATOM 0 H LEU A 60 4.220 6.634 7.010 1.00 0.00 H new ATOM 0 HA LEU A 60 3.341 9.208 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.203 6.874 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.629 7.010 8.185 1.00 0.00 H new ATOM 0 HG LEU A 60 0.952 8.709 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.344 8.284 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.452 6.770 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.697 7.364 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.152 10.322 7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.542 9.481 8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.611 10.296 7.539 1.00 0.00 H new ATOM 945 N SER A 61 2.986 7.922 10.076 1.00 0.00 N ATOM 946 CA SER A 61 2.873 8.272 11.487 1.00 0.00 C ATOM 947 C SER A 61 4.047 9.142 11.927 1.00 0.00 C ATOM 948 O SER A 61 3.871 10.120 12.653 1.00 0.00 O ATOM 949 CB SER A 61 2.812 7.007 12.345 1.00 0.00 C ATOM 950 OG SER A 61 1.497 6.481 12.385 1.00 0.00 O ATOM 0 H SER A 61 2.952 6.920 9.886 1.00 0.00 H new ATOM 0 HA SER A 61 1.952 8.839 11.622 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.495 6.258 11.943 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.147 7.234 13.357 1.00 0.00 H new ATOM 0 HG SER A 61 1.485 5.672 12.938 1.00 0.00 H new ATOM 956 N SER A 62 5.245 8.778 11.480 1.00 0.00 N ATOM 957 CA SER A 62 6.449 9.522 11.830 1.00 0.00 C ATOM 958 C SER A 62 6.461 10.888 11.150 1.00 0.00 C ATOM 959 O SER A 62 7.359 11.698 11.375 1.00 0.00 O ATOM 960 CB SER A 62 7.697 8.731 11.431 1.00 0.00 C ATOM 961 OG SER A 62 8.868 9.319 11.970 1.00 0.00 O ATOM 0 H SER A 62 5.407 7.973 10.875 1.00 0.00 H new ATOM 0 HA SER A 62 6.452 9.673 12.910 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.608 7.703 11.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.774 8.691 10.344 1.00 0.00 H new ATOM 0 HG SER A 62 8.724 10.281 12.093 1.00 0.00 H new ATOM 967 N GLY A 63 5.454 11.136 10.318 1.00 0.00 N ATOM 968 CA GLY A 63 5.366 12.404 9.617 1.00 0.00 C ATOM 969 C GLY A 63 6.570 12.663 8.734 1.00 0.00 C ATOM 970 O GLY A 63 7.081 13.782 8.683 1.00 0.00 O ATOM 0 H GLY A 63 4.698 10.482 10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.463 12.417 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.272 13.211 10.343 1.00 0.00 H new ATOM 974 N GLN A 64 7.026 11.627 8.038 1.00 0.00 N ATOM 975 CA GLN A 64 8.179 11.748 7.154 1.00 0.00 C ATOM 976 C GLN A 64 7.783 12.385 5.826 1.00 0.00 C ATOM 977 O GLN A 64 8.640 12.771 5.031 1.00 0.00 O ATOM 978 CB GLN A 64 8.805 10.374 6.907 1.00 0.00 C ATOM 979 CG GLN A 64 9.532 9.810 8.117 1.00 0.00 C ATOM 980 CD GLN A 64 10.647 8.856 7.736 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.736 8.894 8.310 1.00 0.00 O ATOM 982 NE2 GLN A 64 10.381 7.993 6.763 1.00 0.00 N ATOM 0 H GLN A 64 6.615 10.694 8.069 1.00 0.00 H new ATOM 0 HA GLN A 64 8.912 12.392 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.023 9.677 6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.505 10.447 6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.946 10.631 8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.818 9.291 8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.465 7.996 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.093 7.326 6.464 1.00 0.00 H new ATOM 991 N TYR A 65 6.479 12.492 5.593 1.00 0.00 N ATOM 992 CA TYR A 65 5.970 13.080 4.360 1.00 0.00 C ATOM 993 C TYR A 65 5.728 14.577 4.530 1.00 0.00 C ATOM 994 O TYR A 65 4.955 15.015 5.382 1.00 0.00 O ATOM 995 CB TYR A 65 4.673 12.388 3.938 1.00 0.00 C ATOM 996 CG TYR A 65 4.832 10.905 3.688 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.498 10.439 2.561 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.315 9.971 4.577 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.645 9.085 2.328 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.458 8.616 4.352 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.124 8.178 3.226 1.00 0.00 C ATOM 1002 OH TYR A 65 5.268 6.828 2.998 1.00 0.00 O ATOM 0 H TYR A 65 5.756 12.179 6.241 1.00 0.00 H new ATOM 0 HA TYR A 65 6.720 12.937 3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.922 12.539 4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.296 12.862 3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.908 11.147 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.792 10.310 5.459 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.165 8.739 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.051 7.903 5.054 1.00 0.00 H new ATOM 0 HH TYR A 65 5.687 6.687 2.124 1.00 0.00 H new ATOM 1012 N PRO A 66 6.406 15.383 3.698 1.00 0.00 N ATOM 1013 CA PRO A 66 6.282 16.843 3.735 1.00 0.00 C ATOM 1014 C PRO A 66 4.919 17.321 3.245 1.00 0.00 C ATOM 1015 O PRO A 66 4.505 18.444 3.532 1.00 0.00 O ATOM 1016 CB PRO A 66 7.387 17.317 2.787 1.00 0.00 C ATOM 1017 CG PRO A 66 7.602 16.175 1.855 1.00 0.00 C ATOM 1018 CD PRO A 66 7.345 14.930 2.658 1.00 0.00 C ATOM 0 HA PRO A 66 6.374 17.234 4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.088 18.216 2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.299 17.560 3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.926 16.235 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.617 16.181 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.914 14.138 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.264 14.534 3.091 1.00 0.00 H new ATOM 1026 N ASN A 67 4.226 16.462 2.505 1.00 0.00 N ATOM 1027 CA ASN A 67 2.909 16.798 1.975 1.00 0.00 C ATOM 1028 C ASN A 67 2.183 15.546 1.491 1.00 0.00 C ATOM 1029 O ASN A 67 2.767 14.464 1.418 1.00 0.00 O ATOM 1030 CB ASN A 67 3.039 17.802 0.829 1.00 0.00 C ATOM 1031 CG ASN A 67 4.223 18.733 1.007 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.078 19.851 1.502 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.401 18.276 0.601 1.00 0.00 N ATOM 0 H ASN A 67 4.554 15.528 2.259 1.00 0.00 H new ATOM 0 HA ASN A 67 2.325 17.248 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.143 17.263 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.124 18.391 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.233 18.858 0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.474 17.342 0.196 1.00 0.00 H new ATOM 1040 N LEU A 68 0.906 15.702 1.160 1.00 0.00 N ATOM 1041 CA LEU A 68 0.098 14.585 0.681 1.00 0.00 C ATOM 1042 C LEU A 68 0.671 14.014 -0.612 1.00 0.00 C ATOM 1043 O LEU A 68 0.554 12.818 -0.878 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.347 15.034 0.457 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.077 15.581 1.684 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.366 16.277 1.273 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.366 14.463 2.675 1.00 0.00 C ATOM 0 H LEU A 68 0.408 16.590 1.214 1.00 0.00 H new ATOM 0 HA LEU A 68 0.116 13.804 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.352 15.802 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.914 14.187 0.069 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.432 16.313 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.872 16.660 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.135 17.104 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.016 15.567 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.886 14.871 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.991 13.708 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.428 14.009 2.995 1.00 0.00 H new ATOM 1059 N GLU A 69 1.292 14.876 -1.410 1.00 0.00 N ATOM 1060 CA GLU A 69 1.885 14.456 -2.675 1.00 0.00 C ATOM 1061 C GLU A 69 2.806 13.257 -2.472 1.00 0.00 C ATOM 1062 O GLU A 69 2.617 12.203 -3.082 1.00 0.00 O ATOM 1063 CB GLU A 69 2.665 15.611 -3.307 1.00 0.00 C ATOM 1064 CG GLU A 69 2.997 15.390 -4.773 1.00 0.00 C ATOM 1065 CD GLU A 69 1.761 15.189 -5.627 1.00 0.00 C ATOM 1066 OE1 GLU A 69 0.698 15.739 -5.273 1.00 0.00 O ATOM 1067 OE2 GLU A 69 1.858 14.480 -6.651 1.00 0.00 O ATOM 0 H GLU A 69 1.398 15.869 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 69 1.077 14.163 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.084 16.528 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.591 15.760 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.558 16.246 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.645 14.519 -4.868 1.00 0.00 H new ATOM 1074 N THR A 70 3.804 13.424 -1.611 1.00 0.00 N ATOM 1075 CA THR A 70 4.756 12.357 -1.328 1.00 0.00 C ATOM 1076 C THR A 70 4.048 11.111 -0.808 1.00 0.00 C ATOM 1077 O THR A 70 4.195 10.023 -1.364 1.00 0.00 O ATOM 1078 CB THR A 70 5.810 12.803 -0.296 1.00 0.00 C ATOM 1079 OG1 THR A 70 5.172 13.147 0.938 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.602 13.994 -0.813 1.00 0.00 C ATOM 0 H THR A 70 3.974 14.288 -1.097 1.00 0.00 H new ATOM 0 HA THR A 70 5.255 12.122 -2.268 1.00 0.00 H new ATOM 0 HB THR A 70 6.498 11.974 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.398 13.721 0.757 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.340 14.291 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.110 13.719 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.924 14.826 -1.005 1.00 0.00 H new ATOM 1088 N PHE A 71 3.278 11.278 0.263 1.00 0.00 N ATOM 1089 CA PHE A 71 2.546 10.166 0.858 1.00 0.00 C ATOM 1090 C PHE A 71 1.795 9.375 -0.209 1.00 0.00 C ATOM 1091 O PHE A 71 1.901 8.151 -0.278 1.00 0.00 O ATOM 1092 CB PHE A 71 1.564 10.681 1.913 1.00 0.00 C ATOM 1093 CG PHE A 71 0.593 9.638 2.387 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.943 8.751 3.392 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.671 9.544 1.827 1.00 0.00 C ATOM 1096 CE1 PHE A 71 0.051 7.791 3.831 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.567 8.586 2.262 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.205 7.708 3.264 1.00 0.00 C ATOM 0 H PHE A 71 3.145 12.172 0.736 1.00 0.00 H new ATOM 0 HA PHE A 71 3.267 9.503 1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.126 11.058 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.008 11.523 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.925 8.810 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.959 10.227 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.336 7.107 4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.550 8.524 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.903 6.957 3.604 1.00 0.00 H new ATOM 1108 N ALA A 72 1.037 10.084 -1.038 1.00 0.00 N ATOM 1109 CA ALA A 72 0.269 9.450 -2.102 1.00 0.00 C ATOM 1110 C ALA A 72 1.187 8.758 -3.104 1.00 0.00 C ATOM 1111 O ALA A 72 0.993 7.587 -3.434 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.605 10.477 -2.807 1.00 0.00 C ATOM 0 H ALA A 72 0.938 11.098 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.372 8.692 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.173 9.989 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.293 10.923 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.024 11.256 -3.238 1.00 0.00 H new ATOM 1118 N LEU A 73 2.188 9.488 -3.585 1.00 0.00 N ATOM 1119 CA LEU A 73 3.137 8.944 -4.550 1.00 0.00 C ATOM 1120 C LEU A 73 3.524 7.514 -4.186 1.00 0.00 C ATOM 1121 O LEU A 73 3.593 6.640 -5.051 1.00 0.00 O ATOM 1122 CB LEU A 73 4.388 9.822 -4.615 1.00 0.00 C ATOM 1123 CG LEU A 73 4.256 11.118 -5.416 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.428 12.044 -5.128 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.164 10.818 -6.905 1.00 0.00 C ATOM 0 H LEU A 73 2.363 10.458 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 73 2.657 8.933 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.683 10.076 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.199 9.234 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 73 3.338 11.620 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.318 12.961 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.448 12.285 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.359 11.550 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.071 11.752 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.064 10.294 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.292 10.193 -7.097 1.00 0.00 H new ATOM 1137 N ASP A 74 3.773 7.282 -2.902 1.00 0.00 N ATOM 1138 CA ASP A 74 4.149 5.957 -2.423 1.00 0.00 C ATOM 1139 C ASP A 74 2.978 4.986 -2.534 1.00 0.00 C ATOM 1140 O ASP A 74 3.127 3.872 -3.035 1.00 0.00 O ATOM 1141 CB ASP A 74 4.630 6.033 -0.973 1.00 0.00 C ATOM 1142 CG ASP A 74 5.889 6.864 -0.823 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.140 7.722 -1.696 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.623 6.657 0.165 1.00 0.00 O ATOM 0 H ASP A 74 3.721 7.994 -2.174 1.00 0.00 H new ATOM 0 HA ASP A 74 4.962 5.589 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.841 6.459 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.817 5.025 -0.602 1.00 0.00 H new ATOM 1149 N VAL A 75 1.813 5.416 -2.060 1.00 0.00 N ATOM 1150 CA VAL A 75 0.616 4.585 -2.106 1.00 0.00 C ATOM 1151 C VAL A 75 0.333 4.106 -3.525 1.00 0.00 C ATOM 1152 O VAL A 75 0.286 2.904 -3.788 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.615 5.345 -1.577 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.855 4.467 -1.646 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.373 5.828 -0.155 1.00 0.00 C ATOM 0 H VAL A 75 1.673 6.335 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 75 0.804 3.723 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.781 6.217 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.714 5.021 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.037 4.176 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.703 3.575 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.253 6.363 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.181 4.972 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.488 6.496 -0.139 1.00 0.00 H new ATOM 1165 N ARG A 76 0.145 5.054 -4.437 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.134 4.729 -5.831 1.00 0.00 C ATOM 1167 C ARG A 76 0.914 3.770 -6.386 1.00 0.00 C ATOM 1168 O ARG A 76 0.601 2.883 -7.182 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.174 6.004 -6.676 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.137 7.055 -6.149 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.919 8.399 -6.825 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.835 9.419 -6.322 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.973 10.620 -6.874 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.258 10.949 -7.941 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.827 11.494 -6.359 1.00 0.00 N ATOM 0 H ARG A 76 0.181 6.053 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.108 4.241 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.828 6.431 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.456 5.745 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.163 6.726 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.006 7.163 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.109 8.724 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.054 8.290 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.400 9.198 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.600 10.280 -8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.366 11.871 -8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.379 11.245 -5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.932 12.415 -6.784 1.00 0.00 H new ATOM 1189 N LEU A 77 2.160 3.954 -5.962 1.00 0.00 N ATOM 1190 CA LEU A 77 3.256 3.105 -6.417 1.00 0.00 C ATOM 1191 C LEU A 77 3.064 1.667 -5.944 1.00 0.00 C ATOM 1192 O LEU A 77 3.406 0.719 -6.651 1.00 0.00 O ATOM 1193 CB LEU A 77 4.592 3.647 -5.907 1.00 0.00 C ATOM 1194 CG LEU A 77 5.809 2.748 -6.126 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.345 2.911 -7.540 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.893 3.058 -5.104 1.00 0.00 C ATOM 0 H LEU A 77 2.436 4.683 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 77 3.260 3.112 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.781 4.605 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.498 3.843 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 77 5.499 1.711 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.211 2.264 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.570 2.638 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.638 3.948 -7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.751 2.408 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.200 4.099 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.505 2.889 -4.099 1.00 0.00 H new ATOM 1208 N VAL A 78 2.511 1.513 -4.745 1.00 0.00 N ATOM 1209 CA VAL A 78 2.270 0.191 -4.179 1.00 0.00 C ATOM 1210 C VAL A 78 1.444 -0.670 -5.128 1.00 0.00 C ATOM 1211 O VAL A 78 1.799 -1.814 -5.415 1.00 0.00 O ATOM 1212 CB VAL A 78 1.543 0.284 -2.825 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.086 -1.092 -2.367 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.443 0.930 -1.782 1.00 0.00 C ATOM 0 H VAL A 78 2.222 2.287 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 78 3.245 -0.271 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 78 0.659 0.910 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.574 -1.005 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.404 -1.513 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.952 -1.745 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.914 0.988 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.346 0.331 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.715 1.934 -2.108 1.00 0.00 H new ATOM 1224 N PHE A 79 0.339 -0.114 -5.614 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.539 -0.831 -6.531 1.00 0.00 C ATOM 1226 C PHE A 79 0.039 -0.839 -7.943 1.00 0.00 C ATOM 1227 O PHE A 79 -0.454 -1.545 -8.823 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.931 -0.196 -6.541 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.384 0.276 -5.188 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.347 -0.575 -4.096 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.846 1.570 -5.010 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.765 -0.144 -2.850 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.264 2.006 -3.767 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.222 1.148 -2.686 1.00 0.00 C ATOM 0 H PHE A 79 0.030 0.831 -5.388 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.620 -1.861 -6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.932 0.648 -7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.650 -0.921 -6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.988 -1.586 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.880 2.245 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.734 -0.818 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.623 3.017 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.546 1.487 -1.713 1.00 0.00 H new ATOM 1244 N ASP A 80 1.086 -0.048 -8.151 1.00 0.00 N ATOM 1245 CA ASP A 80 1.733 0.036 -9.456 1.00 0.00 C ATOM 1246 C ASP A 80 2.754 -1.083 -9.630 1.00 0.00 C ATOM 1247 O ASP A 80 2.757 -1.781 -10.643 1.00 0.00 O ATOM 1248 CB ASP A 80 2.414 1.396 -9.624 1.00 0.00 C ATOM 1249 CG ASP A 80 2.918 1.620 -11.036 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.019 1.124 -11.358 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.213 2.290 -11.818 1.00 0.00 O ATOM 0 H ASP A 80 1.505 0.544 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 80 0.966 -0.075 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.710 2.186 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.249 1.470 -8.927 1.00 0.00 H new ATOM 1256 N ASN A 81 3.620 -1.247 -8.636 1.00 0.00 N ATOM 1257 CA ASN A 81 4.648 -2.281 -8.680 1.00 0.00 C ATOM 1258 C ASN A 81 4.022 -3.672 -8.636 1.00 0.00 C ATOM 1259 O ASN A 81 4.455 -4.581 -9.345 1.00 0.00 O ATOM 1260 CB ASN A 81 5.623 -2.111 -7.513 1.00 0.00 C ATOM 1261 CG ASN A 81 6.546 -0.922 -7.700 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.692 -0.403 -8.807 1.00 0.00 O ATOM 1263 ND2 ASN A 81 7.174 -0.485 -6.614 1.00 0.00 N ATOM 0 H ASN A 81 3.631 -0.677 -7.790 1.00 0.00 H new ATOM 0 HA ASN A 81 5.193 -2.176 -9.618 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.060 -1.989 -6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.219 -3.017 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.808 0.312 -6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.023 -0.946 -5.717 1.00 0.00 H new ATOM 1270 N CYS A 82 3.003 -3.830 -7.799 1.00 0.00 N ATOM 1271 CA CYS A 82 2.318 -5.110 -7.662 1.00 0.00 C ATOM 1272 C CYS A 82 1.711 -5.547 -8.991 1.00 0.00 C ATOM 1273 O CYS A 82 1.719 -6.731 -9.328 1.00 0.00 O ATOM 1274 CB CYS A 82 1.225 -5.016 -6.595 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.358 -4.399 -7.213 1.00 0.00 S ATOM 0 H CYS A 82 2.633 -3.088 -7.205 1.00 0.00 H new ATOM 0 HA CYS A 82 3.052 -5.855 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.073 -6.003 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.570 -4.363 -5.794 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.063 -3.942 -6.221 1.00 0.00 H new ATOM 1281 N GLU A 83 1.185 -4.584 -9.741 1.00 0.00 N ATOM 1282 CA GLU A 83 0.571 -4.871 -11.032 1.00 0.00 C ATOM 1283 C GLU A 83 1.617 -5.343 -12.038 1.00 0.00 C ATOM 1284 O GLU A 83 1.332 -6.168 -12.907 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.144 -3.629 -11.569 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.614 -3.772 -13.007 1.00 0.00 C ATOM 1287 CD GLU A 83 0.536 -3.818 -13.994 1.00 0.00 C ATOM 1288 OE1 GLU A 83 1.418 -2.936 -13.921 1.00 0.00 O ATOM 1289 OE2 GLU A 83 0.555 -4.736 -14.841 1.00 0.00 O ATOM 0 H GLU A 83 1.172 -3.599 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.158 -5.668 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.003 -3.412 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.528 -2.774 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.207 -4.682 -13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.269 -2.937 -13.256 1.00 0.00 H new ATOM 1296 N THR A 84 2.830 -4.814 -11.914 1.00 0.00 N ATOM 1297 CA THR A 84 3.919 -5.179 -12.812 1.00 0.00 C ATOM 1298 C THR A 84 4.443 -6.576 -12.501 1.00 0.00 C ATOM 1299 O THR A 84 4.520 -7.433 -13.382 1.00 0.00 O ATOM 1300 CB THR A 84 5.083 -4.174 -12.722 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.693 -2.921 -13.294 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.313 -4.705 -13.442 1.00 0.00 C ATOM 0 H THR A 84 3.083 -4.131 -11.200 1.00 0.00 H new ATOM 0 HA THR A 84 3.513 -5.163 -13.823 1.00 0.00 H new ATOM 0 HB THR A 84 5.331 -4.031 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.737 -2.942 -13.507 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.122 -3.978 -13.365 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.625 -5.644 -12.985 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.075 -4.873 -14.492 1.00 0.00 H new ATOM 1310 N PHE A 85 4.804 -6.801 -11.241 1.00 0.00 N ATOM 1311 CA PHE A 85 5.322 -8.095 -10.814 1.00 0.00 C ATOM 1312 C PHE A 85 4.223 -9.154 -10.833 1.00 0.00 C ATOM 1313 O PHE A 85 4.387 -10.223 -11.419 1.00 0.00 O ATOM 1314 CB PHE A 85 5.920 -7.990 -9.409 1.00 0.00 C ATOM 1315 CG PHE A 85 6.972 -9.024 -9.127 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.254 -8.883 -9.633 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.679 -10.137 -8.356 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.225 -9.833 -9.374 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.645 -11.090 -8.094 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.919 -10.938 -8.605 1.00 0.00 C ATOM 0 H PHE A 85 4.747 -6.104 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 85 6.103 -8.394 -11.513 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.353 -6.998 -9.280 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.121 -8.087 -8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.498 -8.021 -10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.684 -10.261 -7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.221 -9.711 -9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.404 -11.953 -7.490 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.675 -11.683 -8.403 1.00 0.00 H new ATOM 1330 N ASN A 86 3.103 -8.848 -10.186 1.00 0.00 N ATOM 1331 CA ASN A 86 1.977 -9.773 -10.127 1.00 0.00 C ATOM 1332 C ASN A 86 1.064 -9.596 -11.336 1.00 0.00 C ATOM 1333 O ASN A 86 0.872 -8.482 -11.823 1.00 0.00 O ATOM 1334 CB ASN A 86 1.182 -9.560 -8.837 1.00 0.00 C ATOM 1335 CG ASN A 86 2.079 -9.354 -7.632 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.678 -10.301 -7.122 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.175 -8.112 -7.171 1.00 0.00 N ATOM 0 H ASN A 86 2.951 -7.967 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 86 2.372 -10.789 -10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.531 -8.694 -8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.538 -10.422 -8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.764 -7.912 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.660 -7.358 -7.626 1.00 0.00 H new ATOM 1383 N SER A 90 -3.451 -13.081 -11.196 1.00 0.00 N ATOM 1384 CA SER A 90 -2.966 -13.630 -9.935 1.00 0.00 C ATOM 1385 C SER A 90 -3.716 -13.023 -8.754 1.00 0.00 C ATOM 1386 O SER A 90 -4.109 -11.857 -8.787 1.00 0.00 O ATOM 1387 CB SER A 90 -1.465 -13.376 -9.787 1.00 0.00 C ATOM 1388 OG SER A 90 -1.206 -12.016 -9.483 1.00 0.00 O ATOM 0 HA SER A 90 -3.145 -14.705 -9.942 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.061 -14.011 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.954 -13.649 -10.710 1.00 0.00 H new ATOM 0 HG SER A 90 -1.876 -11.450 -9.920 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.910 -13.822 -7.711 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.612 -13.365 -6.517 1.00 0.00 C ATOM 1396 C ASP A 91 -4.250 -11.918 -6.195 1.00 0.00 C ATOM 1397 O ASP A 91 -5.100 -11.029 -6.247 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.277 -14.265 -5.326 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.679 -15.708 -5.560 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -4.166 -16.318 -6.522 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.504 -16.227 -4.781 1.00 0.00 O ATOM 0 H ASP A 91 -3.591 -14.790 -7.668 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.683 -13.418 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.206 -14.217 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.783 -13.889 -4.437 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.984 -11.691 -5.861 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.510 -10.353 -5.531 1.00 0.00 C ATOM 1408 C ILE A 92 -2.897 -9.350 -6.613 1.00 0.00 C ATOM 1409 O ILE A 92 -3.457 -8.293 -6.323 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.982 -10.326 -5.345 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.590 -11.050 -4.055 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.474 -8.892 -5.329 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.875 -10.912 -3.705 1.00 0.00 C ATOM 0 H ILE A 92 -2.268 -12.416 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.987 -10.073 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.520 -10.844 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.190 -10.660 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.833 -12.108 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.608 -8.891 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.725 -8.407 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.941 -8.350 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.080 -11.450 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.482 -11.328 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.120 -9.858 -3.574 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.595 -9.690 -7.862 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.919 -8.810 -8.970 1.00 0.00 C ATOM 1427 C GLY A 93 -4.290 -8.179 -8.826 1.00 0.00 C ATOM 1428 O GLY A 93 -4.408 -6.966 -8.651 1.00 0.00 O ATOM 0 H GLY A 93 -2.132 -10.559 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.166 -8.025 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.878 -9.374 -9.902 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.330 -9.003 -8.902 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.700 -8.518 -8.783 1.00 0.00 C ATOM 1434 C ARG A 94 -6.841 -7.577 -7.590 1.00 0.00 C ATOM 1435 O ARG A 94 -7.559 -6.580 -7.655 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.668 -9.693 -8.637 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.574 -10.704 -9.768 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.844 -11.533 -9.882 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.877 -10.849 -10.655 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.905 -11.471 -11.220 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -11.037 -12.785 -11.098 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.804 -10.779 -11.907 1.00 0.00 N ATOM 0 H ARG A 94 -5.250 -10.010 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.944 -7.966 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.472 -10.199 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.687 -9.309 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.392 -10.184 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.722 -11.363 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.612 -12.488 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.224 -11.753 -8.884 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.805 -9.838 -10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.348 -13.320 -10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.828 -13.261 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.706 -9.768 -12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.593 -11.258 -12.341 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.151 -7.903 -6.501 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.199 -7.087 -5.295 1.00 0.00 C ATOM 1458 C ALA A 95 -5.804 -5.644 -5.592 1.00 0.00 C ATOM 1459 O ALA A 95 -6.440 -4.705 -5.113 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.291 -7.674 -4.224 1.00 0.00 C ATOM 0 H ALA A 95 -5.553 -8.726 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.225 -7.087 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.337 -7.054 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.619 -8.685 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.266 -7.704 -4.593 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.750 -5.474 -6.384 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.288 -4.143 -6.730 1.00 0.00 C ATOM 1468 C GLY A 96 -5.379 -3.295 -7.353 1.00 0.00 C ATOM 1469 O GLY A 96 -5.487 -2.102 -7.068 1.00 0.00 O ATOM 0 H GLY A 96 -4.208 -6.235 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.914 -3.647 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.451 -4.221 -7.424 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.191 -3.911 -8.207 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.279 -3.204 -8.874 1.00 0.00 C ATOM 1475 C HIS A 97 -8.364 -2.812 -7.875 1.00 0.00 C ATOM 1476 O HIS A 97 -8.772 -1.653 -7.811 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.877 -4.073 -9.980 1.00 0.00 C ATOM 1478 CG HIS A 97 -7.077 -4.066 -11.246 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.655 -2.908 -11.864 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.620 -5.086 -12.010 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.974 -3.216 -12.953 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.938 -4.532 -13.064 1.00 0.00 N ATOM 0 H HIS A 97 -6.116 -4.898 -8.453 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.872 -2.295 -9.317 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.962 -5.098 -9.619 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.888 -3.727 -10.197 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.765 -6.140 -11.824 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.523 -2.512 -13.637 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.478 -5.052 -13.812 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.826 -3.786 -7.099 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.865 -3.542 -6.104 1.00 0.00 C ATOM 1492 C ASN A 98 -9.496 -2.363 -5.210 1.00 0.00 C ATOM 1493 O ASN A 98 -10.320 -1.486 -4.950 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.087 -4.793 -5.252 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.096 -5.742 -5.870 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.653 -5.468 -6.933 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.336 -6.866 -5.204 1.00 0.00 N ATOM 0 H ASN A 98 -8.498 -4.751 -7.139 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.788 -3.300 -6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.138 -5.312 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.430 -4.498 -4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.005 -7.543 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.851 -7.052 -4.326 1.00 0.00 H new ATOM 1504 N MET A 99 -8.252 -2.348 -4.742 1.00 0.00 N ATOM 1505 CA MET A 99 -7.773 -1.275 -3.878 1.00 0.00 C ATOM 1506 C MET A 99 -7.725 0.049 -4.632 1.00 0.00 C ATOM 1507 O MET A 99 -8.374 1.020 -4.243 1.00 0.00 O ATOM 1508 CB MET A 99 -6.386 -1.614 -3.329 1.00 0.00 C ATOM 1509 CG MET A 99 -6.361 -2.872 -2.475 1.00 0.00 C ATOM 1510 SD MET A 99 -7.578 -2.832 -1.145 1.00 0.00 S ATOM 1511 CE MET A 99 -7.168 -1.277 -0.357 1.00 0.00 C ATOM 0 H MET A 99 -7.558 -3.067 -4.947 1.00 0.00 H new ATOM 0 HA MET A 99 -8.470 -1.174 -3.046 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.694 -1.737 -4.162 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.024 -0.775 -2.735 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.548 -3.740 -3.108 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.366 -2.997 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.422 -1.328 0.702 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.101 -1.085 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.732 -0.471 -0.827 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.951 0.082 -5.713 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.817 1.288 -6.520 1.00 0.00 C ATOM 1523 C ARG A 100 -8.127 2.070 -6.551 1.00 0.00 C ATOM 1524 O ARG A 100 -8.186 3.221 -6.115 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.392 0.929 -7.945 1.00 0.00 C ATOM 1526 CG ARG A 100 -6.661 2.031 -8.957 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.718 3.208 -8.763 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.340 2.868 -9.106 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.362 3.763 -9.193 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -3.610 5.045 -8.963 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.133 3.376 -9.511 1.00 0.00 N ATOM 0 H ARG A 100 -6.408 -0.713 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.050 1.915 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.327 0.695 -7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.918 0.026 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.548 1.635 -9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.692 2.370 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.049 4.043 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.762 3.540 -7.726 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.116 1.890 -9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.553 5.346 -8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.857 5.730 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.939 2.391 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.383 4.064 -9.578 1.00 0.00 H new ATOM 1545 N LYS A 101 -9.175 1.439 -7.068 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.485 2.074 -7.155 1.00 0.00 C ATOM 1547 C LYS A 101 -10.857 2.737 -5.833 1.00 0.00 C ATOM 1548 O LYS A 101 -11.216 3.915 -5.798 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.550 1.043 -7.538 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.307 0.391 -8.888 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.497 -0.447 -9.325 1.00 0.00 C ATOM 1552 CE LYS A 101 -12.166 -1.291 -10.546 1.00 0.00 C ATOM 1553 NZ LYS A 101 -11.803 -0.450 -11.721 1.00 0.00 N ATOM 0 H LYS A 101 -9.143 0.487 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.438 2.843 -7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.587 0.269 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.526 1.528 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.109 1.160 -9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.418 -0.238 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.807 -1.096 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.340 0.206 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.340 -1.962 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.022 -1.916 -10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.700 -1.054 -12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.551 0.253 -11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.904 0.039 -11.534 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.768 1.976 -4.749 1.00 0.00 N ATOM 1568 CA TYR A 102 -11.097 2.490 -3.424 1.00 0.00 C ATOM 1569 C TYR A 102 -10.220 3.688 -3.072 1.00 0.00 C ATOM 1570 O TYR A 102 -10.721 4.776 -2.787 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.927 1.393 -2.372 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.146 1.874 -0.955 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.127 2.814 -0.664 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.371 1.390 0.091 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.331 3.257 0.629 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.568 1.826 1.387 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.549 2.760 1.651 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.748 3.198 2.940 1.00 0.00 O ATOM 0 H TYR A 102 -10.471 1.000 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 102 -12.137 2.815 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.627 0.585 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.924 0.975 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.741 3.205 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.601 0.660 -0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.098 3.988 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.958 1.438 2.189 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.690 3.442 3.061 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.908 3.479 -3.096 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.960 4.541 -2.779 1.00 0.00 C ATOM 1590 C PHE A 103 -8.419 5.873 -3.365 1.00 0.00 C ATOM 1591 O PHE A 103 -8.312 6.916 -2.720 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.570 4.188 -3.313 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.530 5.230 -3.012 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.385 5.732 -1.729 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.697 5.706 -4.012 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.429 6.690 -1.448 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.739 6.663 -3.737 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.606 7.157 -2.454 1.00 0.00 C ATOM 0 H PHE A 103 -8.477 2.585 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.911 4.639 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.255 3.237 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.629 4.046 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.027 5.371 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.798 5.325 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.326 7.073 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.095 7.025 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.860 7.907 -2.238 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.929 5.829 -4.592 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.403 7.032 -5.265 1.00 0.00 C ATOM 1610 C GLU A 104 -10.730 7.500 -4.674 1.00 0.00 C ATOM 1611 O GLU A 104 -10.802 8.546 -4.029 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.562 6.775 -6.765 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.307 6.232 -7.426 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.217 6.596 -8.895 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -9.121 6.201 -9.661 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.243 7.276 -9.279 1.00 0.00 O ATOM 0 H GLU A 104 -9.024 4.974 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.662 7.817 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.378 6.069 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.848 7.705 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.431 6.618 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.287 5.147 -7.322 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.780 6.717 -4.900 1.00 0.00 N ATOM 1624 CA LYS A 105 -13.105 7.048 -4.391 1.00 0.00 C ATOM 1625 C LYS A 105 -13.033 7.493 -2.934 1.00 0.00 C ATOM 1626 O LYS A 105 -13.907 8.211 -2.449 1.00 0.00 O ATOM 1627 CB LYS A 105 -14.039 5.842 -4.520 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.754 5.768 -5.859 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.781 6.879 -6.004 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.827 6.536 -7.055 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.639 5.351 -6.663 1.00 0.00 N ATOM 0 H LYS A 105 -11.738 5.848 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.499 7.872 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.462 4.929 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.781 5.881 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.025 5.837 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.247 4.801 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.270 7.052 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.279 7.807 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.484 7.392 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.334 6.340 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.557 5.383 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.135 4.481 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.793 5.360 -5.634 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.984 7.064 -2.240 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.794 7.420 -0.839 1.00 0.00 C ATOM 1647 C LYS A 106 -10.953 8.686 -0.708 1.00 0.00 C ATOM 1648 O LYS A 106 -11.311 9.607 0.026 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.124 6.270 -0.084 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.855 6.577 1.378 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.147 6.734 2.163 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.911 7.439 3.490 1.00 0.00 C ATOM 1653 NZ LYS A 106 -13.188 7.864 4.126 1.00 0.00 N ATOM 0 H LYS A 106 -11.251 6.468 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.775 7.609 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.757 5.385 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.182 6.025 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.258 5.776 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.267 7.492 1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.867 7.300 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.585 5.753 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.373 6.773 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.277 8.311 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.985 8.340 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.690 8.520 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.783 7.029 4.302 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.837 8.725 -1.426 1.00 0.00 N ATOM 1668 CA TRP A 107 -8.946 9.879 -1.391 1.00 0.00 C ATOM 1669 C TRP A 107 -9.669 11.139 -1.854 1.00 0.00 C ATOM 1670 O TRP A 107 -9.630 12.172 -1.183 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.718 9.629 -2.268 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.768 10.788 -2.305 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.941 11.968 -2.971 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.498 10.876 -1.651 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.854 12.784 -2.769 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -4.955 12.138 -1.963 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -4.767 10.012 -0.831 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.716 12.554 -1.483 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.537 10.427 -0.356 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.022 11.688 -0.683 1.00 0.00 C ATOM 0 H TRP A 107 -9.527 7.971 -2.039 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.623 10.026 -0.360 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.191 8.748 -1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.045 9.404 -3.283 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.804 12.222 -3.568 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.736 13.720 -3.157 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.156 9.038 -0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.317 13.526 -1.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -2.963 9.768 0.278 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.058 11.982 -0.296 1.00 0.00 H new ATOM 1691 N THR A 108 -10.329 11.049 -3.004 1.00 0.00 N ATOM 1692 CA THR A 108 -11.060 12.182 -3.557 1.00 0.00 C ATOM 1693 C THR A 108 -12.087 12.711 -2.563 1.00 0.00 C ATOM 1694 O THR A 108 -12.216 13.921 -2.374 1.00 0.00 O ATOM 1695 CB THR A 108 -11.777 11.803 -4.867 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.322 12.975 -5.484 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.889 10.799 -4.603 1.00 0.00 C ATOM 0 H THR A 108 -10.372 10.202 -3.571 1.00 0.00 H new ATOM 0 HA THR A 108 -10.326 12.960 -3.766 1.00 0.00 H new ATOM 0 HB THR A 108 -11.048 11.347 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.775 12.726 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.381 10.546 -5.542 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.467 9.897 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.617 11.234 -3.918 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.816 11.798 -1.930 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.831 12.174 -0.953 1.00 0.00 C ATOM 1707 C ASP A 109 -13.190 12.777 0.293 1.00 0.00 C ATOM 1708 O ASP A 109 -13.644 13.801 0.804 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.675 10.957 -0.570 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.048 11.343 -0.057 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.121 12.075 0.952 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -17.050 10.913 -0.665 1.00 0.00 O ATOM 0 H ASP A 109 -12.723 10.793 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.476 12.926 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.784 10.307 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.153 10.383 0.195 1.00 0.00 H new ATOM 1717 N THR A 110 -12.132 12.135 0.778 1.00 0.00 N ATOM 1718 CA THR A 110 -11.430 12.606 1.965 1.00 0.00 C ATOM 1719 C THR A 110 -11.173 14.106 1.892 1.00 0.00 C ATOM 1720 O THR A 110 -11.654 14.870 2.729 1.00 0.00 O ATOM 1721 CB THR A 110 -10.087 11.874 2.151 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.314 10.472 2.334 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.329 12.431 3.347 1.00 0.00 C ATOM 0 H THR A 110 -11.742 11.287 0.367 1.00 0.00 H new ATOM 0 HA THR A 110 -12.073 12.392 2.819 1.00 0.00 H new ATOM 0 HB THR A 110 -9.486 12.030 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.486 10.052 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.384 11.899 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.132 13.492 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.927 12.302 4.249 1.00 0.00 H new