USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 866 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 Single : A 11 THR OG1 : rot 180:sc= 0.005 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0418 K(o=-0.042,f=-1.2) USER MOD Single : A 19 TYR OH : rot 173:sc= 0.111 USER MOD Single : A 27 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.01) USER MOD Single : A 33 LYS NZ :NH3+ -131:sc= 0.289 (180deg=0.0065) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.775 F(o=-1.8!,f=-0.77) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.26 K(o=-1.3,f=-9.7!) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0253) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -141:sc= -0.617 (180deg=-3.19!) USER MOD Single : A 52 SER OG : rot -157:sc= 0.0191 USER MOD Single : A 59 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.43) USER MOD Single : A 70 MET CE :methyl -164:sc= -2.61 (180deg=-2.94!) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.53 F(o=-2.6!,f=-1.5) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 82 GLN : amide:sc= -0.0591 K(o=-0.059,f=-0.71) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.15) USER MOD Single : A 90 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 91 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.48) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -20:sc= 0.942 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -2.09 K(o=-2.1,f=-12!) USER MOD Single : A 115 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 116 GLN : amide:sc=-0.00426 X(o=-0.0043,f=-0.41) USER MOD Single : A 117 MET CE :methyl -112:sc= -3.26 (180deg=-8.85!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.847 -11.933 11.950 1.00 0.00 N ATOM 89 CA PHE A 10 1.360 -10.714 11.313 1.00 0.00 C ATOM 90 C PHE A 10 1.427 -9.533 12.276 1.00 0.00 C ATOM 91 O PHE A 10 0.703 -8.549 12.123 1.00 0.00 O ATOM 92 CB PHE A 10 -0.077 -10.908 10.825 1.00 0.00 C ATOM 93 CG PHE A 10 -0.185 -11.789 9.613 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.097 -11.251 8.339 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.374 -13.155 9.748 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.197 -12.059 7.223 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.474 -13.968 8.634 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.384 -13.419 7.370 1.00 0.00 C ATOM 0 HA PHE A 10 2.001 -10.499 10.458 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.671 -11.338 11.631 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.509 -9.934 10.596 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.051 -10.188 8.217 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.444 -13.590 10.734 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.129 -11.627 6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.622 -15.031 8.752 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.460 -14.052 6.498 1.00 0.00 H new ATOM 108 N THR A 11 2.302 -9.638 13.272 1.00 0.00 N ATOM 109 CA THR A 11 2.464 -8.580 14.262 1.00 0.00 C ATOM 110 C THR A 11 3.410 -7.496 13.759 1.00 0.00 C ATOM 111 O THR A 11 4.385 -7.784 13.063 1.00 0.00 O ATOM 112 CB THR A 11 2.999 -9.136 15.595 1.00 0.00 C ATOM 113 OG1 THR A 11 4.134 -9.975 15.355 1.00 0.00 O ATOM 114 CG2 THR A 11 1.922 -9.926 16.323 1.00 0.00 C ATOM 0 H THR A 11 2.909 -10.445 13.414 1.00 0.00 H new ATOM 0 HA THR A 11 1.477 -8.148 14.427 1.00 0.00 H new ATOM 0 HB THR A 11 3.296 -8.295 16.222 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.469 -10.323 16.207 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.323 -10.309 17.261 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.072 -9.276 16.530 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.598 -10.760 15.700 1.00 0.00 H new ATOM 122 N ASP A 12 3.119 -6.251 14.116 1.00 0.00 N ATOM 123 CA ASP A 12 3.946 -5.123 13.703 1.00 0.00 C ATOM 124 C ASP A 12 5.427 -5.487 13.756 1.00 0.00 C ATOM 125 O ASP A 12 6.106 -5.514 12.730 1.00 0.00 O ATOM 126 CB ASP A 12 3.674 -3.910 14.593 1.00 0.00 C ATOM 127 CG ASP A 12 3.354 -4.300 16.022 1.00 0.00 C ATOM 128 OD1 ASP A 12 4.302 -4.562 16.792 1.00 0.00 O ATOM 129 OD2 ASP A 12 2.156 -4.345 16.371 1.00 0.00 O ATOM 0 H ASP A 12 2.316 -5.996 14.691 1.00 0.00 H new ATOM 0 HA ASP A 12 3.688 -4.873 12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.545 -3.255 14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.842 -3.340 14.180 1.00 0.00 H new ATOM 134 N GLN A 13 5.919 -5.765 14.959 1.00 0.00 N ATOM 135 CA GLN A 13 7.320 -6.125 15.145 1.00 0.00 C ATOM 136 C GLN A 13 7.788 -7.075 14.048 1.00 0.00 C ATOM 137 O GLN A 13 8.904 -6.954 13.541 1.00 0.00 O ATOM 138 CB GLN A 13 7.524 -6.771 16.517 1.00 0.00 C ATOM 139 CG GLN A 13 6.701 -8.032 16.724 1.00 0.00 C ATOM 140 CD GLN A 13 6.508 -8.369 18.189 1.00 0.00 C ATOM 141 OE1 GLN A 13 7.309 -9.092 18.782 1.00 0.00 O ATOM 142 NE2 GLN A 13 5.441 -7.846 18.782 1.00 0.00 N ATOM 0 H GLN A 13 5.369 -5.748 15.818 1.00 0.00 H new ATOM 0 HA GLN A 13 7.914 -5.213 15.088 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.580 -7.011 16.643 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.267 -6.048 17.291 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.726 -7.907 16.253 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.192 -8.867 16.225 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.803 -7.252 18.252 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.259 -8.038 19.767 1.00 0.00 H new ATOM 151 N LYS A 14 6.929 -8.021 13.685 1.00 0.00 N ATOM 152 CA LYS A 14 7.253 -8.992 12.646 1.00 0.00 C ATOM 153 C LYS A 14 7.192 -8.352 11.264 1.00 0.00 C ATOM 154 O LYS A 14 7.992 -8.673 10.384 1.00 0.00 O ATOM 155 CB LYS A 14 6.292 -10.181 12.712 1.00 0.00 C ATOM 156 CG LYS A 14 6.612 -11.161 13.828 1.00 0.00 C ATOM 157 CD LYS A 14 7.821 -12.017 13.488 1.00 0.00 C ATOM 158 CE LYS A 14 7.455 -13.144 12.534 1.00 0.00 C ATOM 159 NZ LYS A 14 8.641 -13.967 12.167 1.00 0.00 N ATOM 0 H LYS A 14 6.002 -8.136 14.095 1.00 0.00 H new ATOM 0 HA LYS A 14 8.270 -9.345 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.276 -9.809 12.847 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.315 -10.709 11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.801 -10.613 14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.750 -11.803 14.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.594 -11.394 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.241 -12.435 14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.700 -13.780 12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.010 -12.726 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.350 -14.724 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.351 -13.365 11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.051 -14.387 13.025 1.00 0.00 H new ATOM 173 N ILE A 15 6.240 -7.443 11.079 1.00 0.00 N ATOM 174 CA ILE A 15 6.077 -6.756 9.804 1.00 0.00 C ATOM 175 C ILE A 15 7.282 -5.873 9.498 1.00 0.00 C ATOM 176 O ILE A 15 7.840 -5.925 8.401 1.00 0.00 O ATOM 177 CB ILE A 15 4.803 -5.891 9.789 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.564 -6.765 9.994 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.703 -5.118 8.483 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.282 -5.974 10.127 1.00 0.00 C ATOM 0 H ILE A 15 5.570 -7.165 11.796 1.00 0.00 H new ATOM 0 HA ILE A 15 5.991 -7.527 9.039 1.00 0.00 H new ATOM 0 HB ILE A 15 4.858 -5.175 10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.471 -7.453 9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.701 -7.372 10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.797 -4.511 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.573 -4.470 8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.667 -5.818 7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.446 -6.658 10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.354 -5.305 10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.121 -5.388 9.222 1.00 0.00 H new ATOM 192 N ARG A 16 7.679 -5.064 10.474 1.00 0.00 N ATOM 193 CA ARG A 16 8.819 -4.170 10.310 1.00 0.00 C ATOM 194 C ARG A 16 10.107 -4.962 10.109 1.00 0.00 C ATOM 195 O ARG A 16 10.944 -4.603 9.281 1.00 0.00 O ATOM 196 CB ARG A 16 8.955 -3.254 11.528 1.00 0.00 C ATOM 197 CG ARG A 16 9.142 -4.004 12.836 1.00 0.00 C ATOM 198 CD ARG A 16 9.217 -3.051 14.019 1.00 0.00 C ATOM 199 NE ARG A 16 9.969 -3.621 15.134 1.00 0.00 N ATOM 200 CZ ARG A 16 10.225 -2.964 16.260 1.00 0.00 C ATOM 201 NH1 ARG A 16 9.790 -1.722 16.420 1.00 0.00 N ATOM 202 NH2 ARG A 16 10.916 -3.550 17.229 1.00 0.00 N ATOM 0 H ARG A 16 7.228 -5.009 11.387 1.00 0.00 H new ATOM 0 HA ARG A 16 8.646 -3.561 9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.804 -2.587 11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.066 -2.628 11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.315 -4.699 12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.054 -4.599 12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.686 -2.119 13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.208 -2.804 14.350 1.00 0.00 H new ATOM 0 HE ARG A 16 10.317 -4.576 15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.257 -1.269 15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.988 -1.220 17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.251 -4.506 17.110 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.112 -3.045 18.093 1.00 0.00 H new ATOM 216 N GLN A 17 10.259 -6.039 10.873 1.00 0.00 N ATOM 217 CA GLN A 17 11.446 -6.880 10.779 1.00 0.00 C ATOM 218 C GLN A 17 11.423 -7.714 9.502 1.00 0.00 C ATOM 219 O GLN A 17 12.470 -8.084 8.972 1.00 0.00 O ATOM 220 CB GLN A 17 11.544 -7.798 11.999 1.00 0.00 C ATOM 221 CG GLN A 17 12.299 -7.181 13.165 1.00 0.00 C ATOM 222 CD GLN A 17 12.953 -8.221 14.053 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.649 -9.411 13.963 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.858 -7.777 14.917 1.00 0.00 N ATOM 0 H GLN A 17 9.575 -6.349 11.563 1.00 0.00 H new ATOM 0 HA GLN A 17 12.320 -6.229 10.751 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.538 -8.062 12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.037 -8.725 11.707 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.063 -6.505 12.781 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.612 -6.580 13.761 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.079 -6.782 14.958 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.332 -8.431 15.540 1.00 0.00 H new ATOM 233 N ARG A 18 10.222 -8.005 9.013 1.00 0.00 N ATOM 234 CA ARG A 18 10.063 -8.796 7.798 1.00 0.00 C ATOM 235 C ARG A 18 10.445 -7.982 6.565 1.00 0.00 C ATOM 236 O ARG A 18 11.064 -8.499 5.635 1.00 0.00 O ATOM 237 CB ARG A 18 8.620 -9.288 7.670 1.00 0.00 C ATOM 238 CG ARG A 18 8.285 -9.843 6.295 1.00 0.00 C ATOM 239 CD ARG A 18 7.123 -10.821 6.357 1.00 0.00 C ATOM 240 NE ARG A 18 7.410 -11.959 7.226 1.00 0.00 N ATOM 241 CZ ARG A 18 6.598 -13.001 7.365 1.00 0.00 C ATOM 242 NH1 ARG A 18 5.455 -13.049 6.695 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.930 -13.999 8.175 1.00 0.00 N ATOM 0 H ARG A 18 9.345 -7.705 9.439 1.00 0.00 H new ATOM 0 HA ARG A 18 10.729 -9.656 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.441 -10.061 8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.943 -8.464 7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.036 -9.023 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.160 -10.342 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.234 -10.305 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.897 -11.180 5.353 1.00 0.00 H new ATOM 0 HE ARG A 18 8.282 -11.953 7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.197 -12.285 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.833 -13.850 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.809 -13.966 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.306 -14.799 8.281 1.00 0.00 H new ATOM 257 N TYR A 19 10.070 -6.707 6.565 1.00 0.00 N ATOM 258 CA TYR A 19 10.371 -5.823 5.446 1.00 0.00 C ATOM 259 C TYR A 19 11.495 -4.855 5.803 1.00 0.00 C ATOM 260 O TYR A 19 11.737 -3.879 5.094 1.00 0.00 O ATOM 261 CB TYR A 19 9.121 -5.041 5.036 1.00 0.00 C ATOM 262 CG TYR A 19 8.000 -5.918 4.524 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.094 -6.550 3.291 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.848 -6.114 5.275 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.072 -7.350 2.819 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.821 -6.914 4.812 1.00 0.00 C ATOM 267 CZ TYR A 19 5.938 -7.529 3.583 1.00 0.00 C ATOM 268 OH TYR A 19 4.918 -8.327 3.117 1.00 0.00 O ATOM 0 H TYR A 19 9.557 -6.263 7.327 1.00 0.00 H new ATOM 0 HA TYR A 19 10.698 -6.438 4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.762 -4.470 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.390 -4.321 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.982 -6.414 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.753 -5.633 6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.160 -7.833 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.932 -7.057 5.409 1.00 0.00 H new ATOM 0 HH TYR A 19 4.245 -8.442 3.820 1.00 0.00 H new ATOM 278 N ALA A 20 12.179 -5.135 6.907 1.00 0.00 N ATOM 279 CA ALA A 20 13.280 -4.292 7.358 1.00 0.00 C ATOM 280 C ALA A 20 14.423 -4.295 6.349 1.00 0.00 C ATOM 281 O ALA A 20 15.253 -3.386 6.334 1.00 0.00 O ATOM 282 CB ALA A 20 13.775 -4.754 8.721 1.00 0.00 C ATOM 0 H ALA A 20 11.990 -5.939 7.506 1.00 0.00 H new ATOM 0 HA ALA A 20 12.910 -3.270 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.597 -4.116 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.961 -4.693 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.122 -5.785 8.652 1.00 0.00 H new ATOM 288 N ASP A 21 14.461 -5.323 5.508 1.00 0.00 N ATOM 289 CA ASP A 21 15.503 -5.445 4.495 1.00 0.00 C ATOM 290 C ASP A 21 15.289 -4.434 3.373 1.00 0.00 C ATOM 291 O ASP A 21 16.240 -4.017 2.709 1.00 0.00 O ATOM 292 CB ASP A 21 15.525 -6.863 3.924 1.00 0.00 C ATOM 293 CG ASP A 21 15.628 -7.921 5.005 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.722 -7.983 5.863 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.613 -8.688 4.993 1.00 0.00 O ATOM 0 H ASP A 21 13.782 -6.084 5.508 1.00 0.00 H new ATOM 0 HA ASP A 21 16.463 -5.238 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.620 -7.031 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.368 -6.963 3.240 1.00 0.00 H new ATOM 300 N LEU A 22 14.036 -4.045 3.165 1.00 0.00 N ATOM 301 CA LEU A 22 13.697 -3.083 2.121 1.00 0.00 C ATOM 302 C LEU A 22 14.519 -1.807 2.269 1.00 0.00 C ATOM 303 O LEU A 22 14.938 -1.432 3.364 1.00 0.00 O ATOM 304 CB LEU A 22 12.205 -2.751 2.172 1.00 0.00 C ATOM 305 CG LEU A 22 11.249 -3.942 2.092 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.818 -3.466 1.897 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.659 -4.880 0.965 1.00 0.00 C ATOM 0 H LEU A 22 13.238 -4.380 3.705 1.00 0.00 H new ATOM 0 HA LEU A 22 13.930 -3.533 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.005 -2.212 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.976 -2.071 1.351 1.00 0.00 H new ATOM 0 HG LEU A 22 11.303 -4.490 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.152 -4.327 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.527 -2.835 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.748 -2.894 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.968 -5.722 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.635 -4.342 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.669 -5.248 1.147 1.00 0.00 H new ATOM 319 N PRO A 23 14.755 -1.121 1.140 1.00 0.00 N ATOM 320 CA PRO A 23 15.527 0.126 1.119 1.00 0.00 C ATOM 321 C PRO A 23 14.781 1.280 1.780 1.00 0.00 C ATOM 322 O PRO A 23 15.329 1.978 2.633 1.00 0.00 O ATOM 323 CB PRO A 23 15.717 0.399 -0.376 1.00 0.00 C ATOM 324 CG PRO A 23 14.574 -0.292 -1.036 1.00 0.00 C ATOM 325 CD PRO A 23 14.287 -1.509 -0.201 1.00 0.00 C ATOM 0 HA PRO A 23 16.462 0.037 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.708 1.468 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.672 0.012 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.702 0.360 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.825 -0.571 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.225 -1.755 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.817 -2.386 -0.573 1.00 0.00 H new ATOM 333 N GLY A 24 13.528 1.475 1.382 1.00 0.00 N ATOM 334 CA GLY A 24 12.728 2.546 1.947 1.00 0.00 C ATOM 335 C GLY A 24 12.368 2.297 3.398 1.00 0.00 C ATOM 336 O GLY A 24 12.781 1.296 3.983 1.00 0.00 O ATOM 0 H GLY A 24 13.052 0.910 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.276 3.485 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.814 2.660 1.363 1.00 0.00 H new ATOM 340 N GLU A 25 11.597 3.210 3.980 1.00 0.00 N ATOM 341 CA GLU A 25 11.184 3.084 5.373 1.00 0.00 C ATOM 342 C GLU A 25 9.724 2.651 5.471 1.00 0.00 C ATOM 343 O GLU A 25 8.854 3.202 4.794 1.00 0.00 O ATOM 344 CB GLU A 25 11.384 4.410 6.110 1.00 0.00 C ATOM 345 CG GLU A 25 11.624 4.248 7.601 1.00 0.00 C ATOM 346 CD GLU A 25 12.966 3.614 7.911 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.958 4.361 8.041 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.024 2.372 8.023 1.00 0.00 O ATOM 0 H GLU A 25 11.246 4.044 3.509 1.00 0.00 H new ATOM 0 HA GLU A 25 11.804 2.319 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.231 4.937 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.505 5.036 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.568 5.224 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.830 3.636 8.029 1.00 0.00 H new ATOM 355 N LEU A 26 9.462 1.661 6.317 1.00 0.00 N ATOM 356 CA LEU A 26 8.107 1.153 6.503 1.00 0.00 C ATOM 357 C LEU A 26 7.220 2.199 7.171 1.00 0.00 C ATOM 358 O LEU A 26 7.595 2.792 8.182 1.00 0.00 O ATOM 359 CB LEU A 26 8.132 -0.124 7.346 1.00 0.00 C ATOM 360 CG LEU A 26 6.928 -1.054 7.191 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.098 -1.947 5.971 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.737 -1.893 8.446 1.00 0.00 C ATOM 0 H LEU A 26 10.169 1.194 6.885 1.00 0.00 H new ATOM 0 HA LEU A 26 7.692 0.926 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.033 -0.684 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.215 0.159 8.395 1.00 0.00 H new ATOM 0 HG LEU A 26 6.037 -0.443 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.232 -2.602 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.185 -1.329 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.999 -2.550 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.876 -2.549 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.629 -2.495 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.569 -1.237 9.300 1.00 0.00 H new ATOM 374 N HIS A 27 6.040 2.419 6.598 1.00 0.00 N ATOM 375 CA HIS A 27 5.098 3.392 7.139 1.00 0.00 C ATOM 376 C HIS A 27 3.695 2.799 7.225 1.00 0.00 C ATOM 377 O HIS A 27 2.943 2.815 6.250 1.00 0.00 O ATOM 378 CB HIS A 27 5.080 4.652 6.274 1.00 0.00 C ATOM 379 CG HIS A 27 6.152 5.637 6.626 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.990 6.614 7.585 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.407 5.789 6.142 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.099 7.327 7.675 1.00 0.00 C ATOM 383 NE2 HIS A 27 7.975 6.846 6.810 1.00 0.00 N ATOM 0 H HIS A 27 5.714 1.937 5.760 1.00 0.00 H new ATOM 0 HA HIS A 27 5.424 3.656 8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.190 4.366 5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.108 5.135 6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.874 5.191 5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.262 8.161 8.342 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.919 7.202 6.663 1.00 0.00 H new ATOM 392 N ILE A 28 3.349 2.277 8.397 1.00 0.00 N ATOM 393 CA ILE A 28 2.037 1.680 8.610 1.00 0.00 C ATOM 394 C ILE A 28 1.044 2.708 9.140 1.00 0.00 C ATOM 395 O ILE A 28 1.138 3.141 10.290 1.00 0.00 O ATOM 396 CB ILE A 28 2.109 0.497 9.594 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.118 -0.543 9.102 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.734 -0.131 9.768 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.615 -1.465 10.193 1.00 0.00 C ATOM 0 H ILE A 28 3.960 2.256 9.214 1.00 0.00 H new ATOM 0 HA ILE A 28 1.696 1.315 7.641 1.00 0.00 H new ATOM 0 HB ILE A 28 2.442 0.869 10.563 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.658 -1.140 8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.969 -0.029 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.801 -0.965 10.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.041 0.614 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.374 -0.492 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.326 -2.176 9.773 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.105 -0.878 10.970 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.773 -2.006 10.624 1.00 0.00 H new ATOM 411 N ILE A 29 0.093 3.094 8.297 1.00 0.00 N ATOM 412 CA ILE A 29 -0.919 4.070 8.682 1.00 0.00 C ATOM 413 C ILE A 29 -2.324 3.508 8.495 1.00 0.00 C ATOM 414 O ILE A 29 -2.605 2.829 7.508 1.00 0.00 O ATOM 415 CB ILE A 29 -0.786 5.371 7.868 1.00 0.00 C ATOM 416 CG1 ILE A 29 -1.147 5.120 6.403 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.625 5.926 7.984 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.136 6.372 5.555 1.00 0.00 C ATOM 0 H ILE A 29 0.002 2.746 7.343 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.757 4.293 9.737 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.480 6.108 8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.445 4.400 5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.137 4.666 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.703 6.845 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.848 6.137 9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.336 5.194 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.401 6.119 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.858 7.086 5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.140 6.815 5.574 1.00 0.00 H new ATOM 430 N GLU A 30 -3.204 3.797 9.449 1.00 0.00 N ATOM 431 CA GLU A 30 -4.581 3.321 9.388 1.00 0.00 C ATOM 432 C GLU A 30 -5.478 4.338 8.690 1.00 0.00 C ATOM 433 O GLU A 30 -5.599 5.482 9.131 1.00 0.00 O ATOM 434 CB GLU A 30 -5.109 3.040 10.796 1.00 0.00 C ATOM 435 CG GLU A 30 -4.856 1.618 11.269 1.00 0.00 C ATOM 436 CD GLU A 30 -4.691 1.524 12.774 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.636 1.903 13.498 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.619 1.073 13.227 1.00 0.00 O ATOM 0 H GLU A 30 -2.988 4.358 10.273 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.594 2.396 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.643 3.735 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.181 3.236 10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.685 0.983 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.959 1.232 10.784 1.00 0.00 H new ATOM 445 N LEU A 31 -6.105 3.914 7.598 1.00 0.00 N ATOM 446 CA LEU A 31 -6.991 4.788 6.837 1.00 0.00 C ATOM 447 C LEU A 31 -8.418 4.249 6.837 1.00 0.00 C ATOM 448 O LEU A 31 -8.646 3.069 6.574 1.00 0.00 O ATOM 449 CB LEU A 31 -6.488 4.931 5.399 1.00 0.00 C ATOM 450 CG LEU A 31 -5.064 5.462 5.236 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.739 5.678 3.766 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.883 6.754 6.020 1.00 0.00 C ATOM 0 H LEU A 31 -6.016 2.971 7.220 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.992 5.768 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.548 3.956 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.166 5.595 4.863 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.373 4.719 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.721 6.056 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.827 4.732 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.436 6.401 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.863 7.117 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.584 7.504 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.072 6.568 7.077 1.00 0.00 H new ATOM 464 N GLU A 32 -9.375 5.123 7.133 1.00 0.00 N ATOM 465 CA GLU A 32 -10.780 4.734 7.165 1.00 0.00 C ATOM 466 C GLU A 32 -11.450 5.000 5.820 1.00 0.00 C ATOM 467 O GLU A 32 -11.487 6.135 5.345 1.00 0.00 O ATOM 468 CB GLU A 32 -11.517 5.493 8.272 1.00 0.00 C ATOM 469 CG GLU A 32 -12.686 4.723 8.862 1.00 0.00 C ATOM 470 CD GLU A 32 -13.965 4.906 8.069 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.982 4.533 6.877 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.949 5.422 8.639 1.00 0.00 O ATOM 0 H GLU A 32 -9.203 6.104 7.354 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.829 3.665 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.812 5.733 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.881 6.439 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.435 3.663 8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.850 5.049 9.889 1.00 0.00 H new ATOM 479 N LYS A 33 -11.978 3.944 5.210 1.00 0.00 N ATOM 480 CA LYS A 33 -12.647 4.060 3.920 1.00 0.00 C ATOM 481 C LYS A 33 -13.648 5.211 3.928 1.00 0.00 C ATOM 482 O LYS A 33 -14.653 5.168 4.637 1.00 0.00 O ATOM 483 CB LYS A 33 -13.361 2.752 3.573 1.00 0.00 C ATOM 484 CG LYS A 33 -12.414 1.608 3.253 1.00 0.00 C ATOM 485 CD LYS A 33 -13.031 0.634 2.263 1.00 0.00 C ATOM 486 CE LYS A 33 -13.819 -0.457 2.972 1.00 0.00 C ATOM 487 NZ LYS A 33 -14.948 -0.956 2.140 1.00 0.00 N ATOM 0 H LYS A 33 -11.955 2.997 5.589 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.890 4.265 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.998 2.462 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.015 2.921 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.486 2.006 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.156 1.080 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.688 1.174 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.245 0.182 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.154 -1.285 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.206 -0.071 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.819 -0.970 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.080 -0.329 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.736 -1.919 1.808 1.00 0.00 H new ATOM 501 N ASP A 34 -13.367 6.238 3.133 1.00 0.00 N ATOM 502 CA ASP A 34 -14.244 7.400 3.047 1.00 0.00 C ATOM 503 C ASP A 34 -15.534 7.054 2.309 1.00 0.00 C ATOM 504 O ASP A 34 -15.722 5.921 1.864 1.00 0.00 O ATOM 505 CB ASP A 34 -13.531 8.553 2.339 1.00 0.00 C ATOM 506 CG ASP A 34 -13.677 8.485 0.831 1.00 0.00 C ATOM 507 OD1 ASP A 34 -13.136 7.537 0.225 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.332 9.381 0.258 1.00 0.00 O ATOM 0 H ASP A 34 -12.539 6.289 2.539 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.498 7.708 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.933 9.500 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.473 8.537 2.600 1.00 0.00 H new ATOM 513 N LYS A 35 -16.420 8.036 2.185 1.00 0.00 N ATOM 514 CA LYS A 35 -17.692 7.836 1.501 1.00 0.00 C ATOM 515 C LYS A 35 -17.504 7.017 0.229 1.00 0.00 C ATOM 516 O LYS A 35 -18.410 6.305 -0.202 1.00 0.00 O ATOM 517 CB LYS A 35 -18.329 9.186 1.162 1.00 0.00 C ATOM 518 CG LYS A 35 -17.453 10.071 0.293 1.00 0.00 C ATOM 519 CD LYS A 35 -17.954 11.505 0.274 1.00 0.00 C ATOM 520 CE LYS A 35 -17.614 12.197 -1.038 1.00 0.00 C ATOM 521 NZ LYS A 35 -16.152 12.452 -1.167 1.00 0.00 N ATOM 0 H LYS A 35 -16.281 8.978 2.549 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.353 7.286 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.276 9.013 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.558 9.713 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.429 10.047 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.433 9.678 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.034 11.516 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.512 12.057 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.950 11.581 -1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.155 13.141 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.961 12.924 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.836 13.061 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.638 11.549 -1.132 1.00 0.00 H new ATOM 535 N ASN A 36 -16.321 7.122 -0.367 1.00 0.00 N ATOM 536 CA ASN A 36 -16.014 6.389 -1.591 1.00 0.00 C ATOM 537 C ASN A 36 -14.960 5.316 -1.332 1.00 0.00 C ATOM 538 O ASN A 36 -14.759 4.419 -2.150 1.00 0.00 O ATOM 539 CB ASN A 36 -15.524 7.350 -2.676 1.00 0.00 C ATOM 540 CG ASN A 36 -14.710 6.648 -3.746 1.00 0.00 C ATOM 541 OD1 ASN A 36 -15.272 5.588 -4.316 1.00 0.00 O flip ATOM 542 ND2 ASN A 36 -13.590 7.054 -4.055 1.00 0.00 N flip ATOM 0 H ASN A 36 -15.559 7.707 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.927 5.902 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -16.381 7.839 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.919 8.133 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.198 7.873 -3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.054 6.572 -4.776 1.00 0.00 H new ATOM 549 N GLY A 37 -14.290 5.416 -0.188 1.00 0.00 N ATOM 550 CA GLY A 37 -13.265 4.448 0.158 1.00 0.00 C ATOM 551 C GLY A 37 -11.870 4.935 -0.179 1.00 0.00 C ATOM 552 O GLY A 37 -11.706 5.947 -0.862 1.00 0.00 O ATOM 0 H GLY A 37 -14.438 6.149 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.322 4.228 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.458 3.514 -0.370 1.00 0.00 H new ATOM 556 N LEU A 38 -10.862 4.215 0.300 1.00 0.00 N ATOM 557 CA LEU A 38 -9.472 4.581 0.047 1.00 0.00 C ATOM 558 C LEU A 38 -9.247 4.871 -1.433 1.00 0.00 C ATOM 559 O LEU A 38 -9.478 4.016 -2.287 1.00 0.00 O ATOM 560 CB LEU A 38 -8.538 3.460 0.507 1.00 0.00 C ATOM 561 CG LEU A 38 -8.874 2.815 1.851 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.772 1.856 2.274 1.00 0.00 C ATOM 563 CD2 LEU A 38 -9.093 3.881 2.915 1.00 0.00 C ATOM 0 H LEU A 38 -10.980 3.375 0.866 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.250 5.486 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.534 2.682 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.525 3.858 0.561 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.798 2.247 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.029 1.407 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.663 1.073 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.832 2.400 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.331 3.403 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.187 4.476 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.918 4.528 2.617 1.00 0.00 H new ATOM 575 N GLY A 39 -8.792 6.085 -1.730 1.00 0.00 N ATOM 576 CA GLY A 39 -8.541 6.466 -3.108 1.00 0.00 C ATOM 577 C GLY A 39 -7.063 6.628 -3.404 1.00 0.00 C ATOM 578 O GLY A 39 -6.413 7.535 -2.882 1.00 0.00 O ATOM 0 H GLY A 39 -8.593 6.811 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.961 5.711 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.056 7.402 -3.323 1.00 0.00 H new ATOM 582 N LEU A 40 -6.530 5.748 -4.244 1.00 0.00 N ATOM 583 CA LEU A 40 -5.118 5.796 -4.608 1.00 0.00 C ATOM 584 C LEU A 40 -4.904 5.284 -6.029 1.00 0.00 C ATOM 585 O LEU A 40 -5.513 4.297 -6.442 1.00 0.00 O ATOM 586 CB LEU A 40 -4.289 4.967 -3.625 1.00 0.00 C ATOM 587 CG LEU A 40 -4.418 5.348 -2.150 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.150 4.143 -1.262 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.468 6.487 -1.808 1.00 0.00 C ATOM 0 H LEU A 40 -7.054 4.993 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.792 6.835 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.572 3.920 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.240 5.045 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.438 5.686 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.246 4.433 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.870 3.357 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.141 3.774 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.574 6.745 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.442 6.176 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.707 7.357 -2.420 1.00 0.00 H new ATOM 601 N SER A 41 -4.034 5.961 -6.772 1.00 0.00 N ATOM 602 CA SER A 41 -3.741 5.576 -8.147 1.00 0.00 C ATOM 603 C SER A 41 -2.605 4.558 -8.196 1.00 0.00 C ATOM 604 O SER A 41 -1.432 4.913 -8.070 1.00 0.00 O ATOM 605 CB SER A 41 -3.373 6.808 -8.977 1.00 0.00 C ATOM 606 OG SER A 41 -4.511 7.616 -9.220 1.00 0.00 O ATOM 0 H SER A 41 -3.520 6.779 -6.444 1.00 0.00 H new ATOM 0 HA SER A 41 -4.636 5.117 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.615 7.390 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.936 6.495 -9.925 1.00 0.00 H new ATOM 0 HG SER A 41 -4.250 8.398 -9.750 1.00 0.00 H new ATOM 612 N LEU A 42 -2.962 3.292 -8.380 1.00 0.00 N ATOM 613 CA LEU A 42 -1.973 2.221 -8.446 1.00 0.00 C ATOM 614 C LEU A 42 -1.501 2.003 -9.880 1.00 0.00 C ATOM 615 O LEU A 42 -2.223 2.295 -10.833 1.00 0.00 O ATOM 616 CB LEU A 42 -2.561 0.923 -7.888 1.00 0.00 C ATOM 617 CG LEU A 42 -3.316 1.043 -6.564 1.00 0.00 C ATOM 618 CD1 LEU A 42 -4.020 -0.263 -6.231 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.367 1.440 -5.443 1.00 0.00 C ATOM 0 H LEU A 42 -3.928 2.982 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.115 2.514 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.238 0.505 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.750 0.207 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.071 1.823 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.552 -0.159 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.730 -0.506 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.284 -1.062 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.922 1.521 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.589 0.683 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.909 2.401 -5.677 1.00 0.00 H new ATOM 631 N ALA A 43 -0.285 1.487 -10.025 1.00 0.00 N ATOM 632 CA ALA A 43 0.282 1.227 -11.342 1.00 0.00 C ATOM 633 C ALA A 43 1.372 0.162 -11.270 1.00 0.00 C ATOM 634 O ALA A 43 2.350 0.310 -10.539 1.00 0.00 O ATOM 635 CB ALA A 43 0.835 2.511 -11.942 1.00 0.00 C ATOM 0 H ALA A 43 0.326 1.241 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.514 0.852 -11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.255 2.301 -12.926 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.033 3.243 -12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.614 2.910 -11.292 1.00 0.00 H new ATOM 641 N GLY A 44 1.195 -0.912 -12.033 1.00 0.00 N ATOM 642 CA GLY A 44 2.171 -1.986 -12.040 1.00 0.00 C ATOM 643 C GLY A 44 3.561 -1.505 -12.406 1.00 0.00 C ATOM 644 O GLY A 44 3.723 -0.687 -13.311 1.00 0.00 O ATOM 0 H GLY A 44 0.393 -1.058 -12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.199 -2.453 -11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.857 -2.753 -12.748 1.00 0.00 H new ATOM 648 N ASN A 45 4.566 -2.011 -11.700 1.00 0.00 N ATOM 649 CA ASN A 45 5.949 -1.626 -11.955 1.00 0.00 C ATOM 650 C ASN A 45 6.180 -1.378 -13.443 1.00 0.00 C ATOM 651 O ASN A 45 5.534 -1.991 -14.293 1.00 0.00 O ATOM 652 CB ASN A 45 6.904 -2.711 -11.453 1.00 0.00 C ATOM 653 CG ASN A 45 8.354 -2.268 -11.490 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.872 -1.889 -12.540 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.016 -2.315 -10.340 1.00 0.00 N ATOM 0 H ASN A 45 4.449 -2.689 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 45 6.147 -0.700 -11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.636 -2.983 -10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.785 -3.606 -12.063 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.995 -2.030 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.546 -2.636 -9.494 1.00 0.00 H new ATOM 662 N LYS A 46 7.106 -0.476 -13.750 1.00 0.00 N ATOM 663 CA LYS A 46 7.425 -0.148 -15.134 1.00 0.00 C ATOM 664 C LYS A 46 7.599 -1.413 -15.968 1.00 0.00 C ATOM 665 O LYS A 46 7.122 -1.493 -17.100 1.00 0.00 O ATOM 666 CB LYS A 46 8.699 0.697 -15.199 1.00 0.00 C ATOM 667 CG LYS A 46 8.480 2.157 -14.841 1.00 0.00 C ATOM 668 CD LYS A 46 9.793 2.919 -14.776 1.00 0.00 C ATOM 669 CE LYS A 46 9.574 4.376 -14.400 1.00 0.00 C ATOM 670 NZ LYS A 46 8.934 5.144 -15.503 1.00 0.00 N ATOM 0 H LYS A 46 7.649 0.041 -13.058 1.00 0.00 H new ATOM 0 HA LYS A 46 6.594 0.425 -15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.441 0.273 -14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.114 0.637 -16.205 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.826 2.620 -15.580 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.971 2.224 -13.879 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.452 2.449 -14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.296 2.863 -15.742 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.949 4.431 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.530 4.833 -14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.864 6.146 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.509 5.057 -16.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.982 4.766 -15.682 1.00 0.00 H new ATOM 684 N ASP A 47 8.284 -2.400 -15.400 1.00 0.00 N ATOM 685 CA ASP A 47 8.518 -3.663 -16.090 1.00 0.00 C ATOM 686 C ASP A 47 7.368 -4.636 -15.849 1.00 0.00 C ATOM 687 O ASP A 47 7.057 -4.974 -14.707 1.00 0.00 O ATOM 688 CB ASP A 47 9.835 -4.286 -15.625 1.00 0.00 C ATOM 689 CG ASP A 47 11.013 -3.851 -16.475 1.00 0.00 C ATOM 690 OD1 ASP A 47 11.151 -4.363 -17.605 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.797 -2.997 -16.009 1.00 0.00 O ATOM 0 H ASP A 47 8.687 -2.350 -14.464 1.00 0.00 H new ATOM 0 HA ASP A 47 8.579 -3.458 -17.159 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.018 -4.009 -14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.750 -5.372 -15.655 1.00 0.00 H new ATOM 696 N ARG A 48 6.739 -5.082 -16.932 1.00 0.00 N ATOM 697 CA ARG A 48 5.622 -6.014 -16.837 1.00 0.00 C ATOM 698 C ARG A 48 6.029 -7.275 -16.081 1.00 0.00 C ATOM 699 O ARG A 48 5.326 -7.721 -15.174 1.00 0.00 O ATOM 700 CB ARG A 48 5.119 -6.383 -18.234 1.00 0.00 C ATOM 701 CG ARG A 48 3.659 -6.805 -18.264 1.00 0.00 C ATOM 702 CD ARG A 48 3.330 -7.586 -19.527 1.00 0.00 C ATOM 703 NE ARG A 48 1.897 -7.832 -19.660 1.00 0.00 N ATOM 704 CZ ARG A 48 1.347 -8.417 -20.719 1.00 0.00 C ATOM 705 NH1 ARG A 48 2.107 -8.812 -21.731 1.00 0.00 N ATOM 706 NH2 ARG A 48 0.035 -8.606 -20.767 1.00 0.00 N ATOM 0 H ARG A 48 6.984 -4.813 -17.885 1.00 0.00 H new ATOM 0 HA ARG A 48 4.818 -5.525 -16.286 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.255 -5.529 -18.897 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.731 -7.194 -18.629 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.438 -7.416 -17.389 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.023 -5.922 -18.205 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.685 -7.034 -20.397 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.862 -8.538 -19.514 1.00 0.00 H new ATOM 0 HE ARG A 48 1.285 -7.539 -18.899 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.116 -8.667 -21.698 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.683 -9.261 -22.543 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.553 -8.302 -19.991 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.386 -9.055 -21.580 1.00 0.00 H new ATOM 720 N SER A 49 7.167 -7.846 -16.462 1.00 0.00 N ATOM 721 CA SER A 49 7.665 -9.059 -15.823 1.00 0.00 C ATOM 722 C SER A 49 7.626 -8.927 -14.303 1.00 0.00 C ATOM 723 O SER A 49 7.485 -9.919 -13.587 1.00 0.00 O ATOM 724 CB SER A 49 9.094 -9.353 -16.283 1.00 0.00 C ATOM 725 OG SER A 49 9.108 -9.874 -17.601 1.00 0.00 O ATOM 0 H SER A 49 7.762 -7.489 -17.210 1.00 0.00 H new ATOM 0 HA SER A 49 7.019 -9.886 -16.116 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.687 -8.440 -16.243 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.559 -10.065 -15.602 1.00 0.00 H new ATOM 0 HG SER A 49 10.033 -10.052 -17.873 1.00 0.00 H new ATOM 731 N ARG A 50 7.751 -7.696 -13.818 1.00 0.00 N ATOM 732 CA ARG A 50 7.731 -7.434 -12.384 1.00 0.00 C ATOM 733 C ARG A 50 6.318 -7.578 -11.825 1.00 0.00 C ATOM 734 O ARG A 50 5.335 -7.425 -12.549 1.00 0.00 O ATOM 735 CB ARG A 50 8.266 -6.031 -12.093 1.00 0.00 C ATOM 736 CG ARG A 50 9.711 -5.830 -12.520 1.00 0.00 C ATOM 737 CD ARG A 50 10.677 -6.187 -11.401 1.00 0.00 C ATOM 738 NE ARG A 50 11.986 -6.581 -11.913 1.00 0.00 N ATOM 739 CZ ARG A 50 12.242 -7.774 -12.438 1.00 0.00 C ATOM 740 NH1 ARG A 50 11.282 -8.685 -12.520 1.00 0.00 N ATOM 741 NH2 ARG A 50 13.459 -8.057 -12.883 1.00 0.00 N ATOM 0 H ARG A 50 7.867 -6.864 -14.397 1.00 0.00 H new ATOM 0 HA ARG A 50 8.373 -8.168 -11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.640 -5.299 -12.604 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.181 -5.833 -11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.922 -6.445 -13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.863 -4.792 -12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.791 -5.332 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.260 -7.001 -10.808 1.00 0.00 H new ATOM 0 HE ARG A 50 12.746 -5.903 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.345 -8.470 -12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.481 -9.600 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.200 -7.358 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.654 -8.973 -13.286 1.00 0.00 H new ATOM 755 N MET A 51 6.226 -7.873 -10.533 1.00 0.00 N ATOM 756 CA MET A 51 4.934 -8.036 -9.877 1.00 0.00 C ATOM 757 C MET A 51 4.908 -7.308 -8.537 1.00 0.00 C ATOM 758 O MET A 51 5.310 -7.859 -7.512 1.00 0.00 O ATOM 759 CB MET A 51 4.627 -9.521 -9.669 1.00 0.00 C ATOM 760 CG MET A 51 3.200 -9.790 -9.222 1.00 0.00 C ATOM 761 SD MET A 51 2.073 -10.040 -10.607 1.00 0.00 S ATOM 762 CE MET A 51 1.710 -8.346 -11.059 1.00 0.00 C ATOM 0 H MET A 51 7.030 -8.004 -9.920 1.00 0.00 H new ATOM 0 HA MET A 51 4.171 -7.601 -10.522 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.814 -10.056 -10.600 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.314 -9.925 -8.925 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.184 -10.672 -8.582 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.848 -8.953 -8.619 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.657 -8.259 -11.329 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.924 -7.690 -10.215 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.327 -8.056 -11.909 1.00 0.00 H new ATOM 772 N SER A 52 4.435 -6.066 -8.552 1.00 0.00 N ATOM 773 CA SER A 52 4.361 -5.260 -7.339 1.00 0.00 C ATOM 774 C SER A 52 3.378 -4.107 -7.511 1.00 0.00 C ATOM 775 O SER A 52 3.014 -3.750 -8.632 1.00 0.00 O ATOM 776 CB SER A 52 5.745 -4.716 -6.978 1.00 0.00 C ATOM 777 OG SER A 52 5.880 -4.557 -5.576 1.00 0.00 O ATOM 0 H SER A 52 4.097 -5.596 -9.392 1.00 0.00 H new ATOM 0 HA SER A 52 4.006 -5.898 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.514 -5.396 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.903 -3.758 -7.473 1.00 0.00 H new ATOM 0 HG SER A 52 6.577 -3.895 -5.388 1.00 0.00 H new ATOM 783 N ILE A 53 2.952 -3.529 -6.393 1.00 0.00 N ATOM 784 CA ILE A 53 2.011 -2.416 -6.420 1.00 0.00 C ATOM 785 C ILE A 53 2.667 -1.130 -5.928 1.00 0.00 C ATOM 786 O ILE A 53 3.353 -1.122 -4.905 1.00 0.00 O ATOM 787 CB ILE A 53 0.769 -2.707 -5.558 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.156 -4.054 -5.947 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.254 -1.591 -5.707 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.655 -4.691 -4.840 1.00 0.00 C ATOM 0 H ILE A 53 3.243 -3.813 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 53 1.701 -2.290 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 53 1.074 -2.756 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.482 -3.915 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.954 -4.736 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.126 -1.812 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.187 -0.648 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.558 -1.513 -6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.059 -5.642 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.016 -4.862 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.475 -4.028 -4.562 1.00 0.00 H new ATOM 802 N PHE A 54 2.452 -0.044 -6.662 1.00 0.00 N ATOM 803 CA PHE A 54 3.021 1.249 -6.300 1.00 0.00 C ATOM 804 C PHE A 54 1.962 2.345 -6.356 1.00 0.00 C ATOM 805 O PHE A 54 0.900 2.168 -6.954 1.00 0.00 O ATOM 806 CB PHE A 54 4.182 1.598 -7.233 1.00 0.00 C ATOM 807 CG PHE A 54 5.341 0.647 -7.131 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.087 0.567 -5.966 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.683 -0.166 -8.199 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.154 -0.307 -5.868 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.748 -1.042 -8.107 1.00 0.00 C ATOM 812 CZ PHE A 54 7.485 -1.112 -6.940 1.00 0.00 C ATOM 0 H PHE A 54 1.888 -0.033 -7.512 1.00 0.00 H new ATOM 0 HA PHE A 54 3.393 1.180 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.821 1.608 -8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.529 2.606 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.832 1.195 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.111 -0.115 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.728 -0.360 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.004 -1.671 -8.946 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.318 -1.795 -6.867 1.00 0.00 H new ATOM 822 N VAL A 55 2.257 3.479 -5.728 1.00 0.00 N ATOM 823 CA VAL A 55 1.331 4.605 -5.706 1.00 0.00 C ATOM 824 C VAL A 55 1.844 5.754 -6.567 1.00 0.00 C ATOM 825 O VAL A 55 2.784 6.454 -6.191 1.00 0.00 O ATOM 826 CB VAL A 55 1.102 5.115 -4.271 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.335 6.429 -4.288 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.368 4.070 -3.446 1.00 0.00 C ATOM 0 H VAL A 55 3.131 3.642 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 55 0.385 4.246 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 55 2.072 5.294 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.182 6.774 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.904 7.175 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.632 6.280 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.214 4.447 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.598 3.857 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.960 3.156 -3.407 1.00 0.00 H new ATOM 838 N VAL A 56 1.218 5.944 -7.725 1.00 0.00 N ATOM 839 CA VAL A 56 1.609 7.010 -8.639 1.00 0.00 C ATOM 840 C VAL A 56 0.666 8.202 -8.529 1.00 0.00 C ATOM 841 O VAL A 56 0.770 9.163 -9.291 1.00 0.00 O ATOM 842 CB VAL A 56 1.630 6.518 -10.099 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.498 5.276 -10.231 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.216 6.246 -10.588 1.00 0.00 C ATOM 0 H VAL A 56 0.438 5.373 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 56 2.614 7.319 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 56 2.061 7.301 -10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.501 4.943 -11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.517 5.510 -9.922 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.099 4.484 -9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.249 5.899 -11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.244 5.481 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.371 7.163 -10.531 1.00 0.00 H new ATOM 854 N GLY A 57 -0.258 8.134 -7.575 1.00 0.00 N ATOM 855 CA GLY A 57 -1.207 9.214 -7.382 1.00 0.00 C ATOM 856 C GLY A 57 -2.066 9.018 -6.148 1.00 0.00 C ATOM 857 O GLY A 57 -2.346 7.886 -5.753 1.00 0.00 O ATOM 0 H GLY A 57 -0.366 7.349 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.667 10.157 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.849 9.290 -8.259 1.00 0.00 H new ATOM 861 N ILE A 58 -2.483 10.122 -5.538 1.00 0.00 N ATOM 862 CA ILE A 58 -3.315 10.066 -4.342 1.00 0.00 C ATOM 863 C ILE A 58 -4.507 11.009 -4.457 1.00 0.00 C ATOM 864 O ILE A 58 -4.369 12.222 -4.307 1.00 0.00 O ATOM 865 CB ILE A 58 -2.509 10.425 -3.080 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.341 9.453 -2.899 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.411 10.412 -1.855 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.420 9.821 -1.757 1.00 0.00 C ATOM 0 H ILE A 58 -2.259 11.066 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.674 9.041 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.104 11.430 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.736 8.451 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.764 9.415 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.827 10.668 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.211 11.141 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.842 9.418 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.384 9.089 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.004 10.809 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.983 9.830 -0.824 1.00 0.00 H new ATOM 880 N ASN A 59 -5.680 10.442 -4.722 1.00 0.00 N ATOM 881 CA ASN A 59 -6.898 11.232 -4.855 1.00 0.00 C ATOM 882 C ASN A 59 -6.997 12.272 -3.743 1.00 0.00 C ATOM 883 O ASN A 59 -7.001 11.948 -2.555 1.00 0.00 O ATOM 884 CB ASN A 59 -8.127 10.321 -4.827 1.00 0.00 C ATOM 885 CG ASN A 59 -9.316 10.931 -5.545 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.212 11.344 -6.700 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.452 10.992 -4.861 1.00 0.00 N ATOM 0 H ASN A 59 -5.812 9.439 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.861 11.752 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.878 9.366 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.398 10.113 -3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.285 11.394 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.492 10.637 -3.906 1.00 0.00 H new ATOM 894 N PRO A 60 -7.079 13.552 -4.135 1.00 0.00 N ATOM 895 CA PRO A 60 -7.180 14.665 -3.187 1.00 0.00 C ATOM 896 C PRO A 60 -8.526 14.696 -2.471 1.00 0.00 C ATOM 897 O PRO A 60 -8.704 15.428 -1.498 1.00 0.00 O ATOM 898 CB PRO A 60 -7.018 15.902 -4.074 1.00 0.00 C ATOM 899 CG PRO A 60 -7.463 15.460 -5.425 1.00 0.00 C ATOM 900 CD PRO A 60 -7.080 14.010 -5.534 1.00 0.00 C ATOM 0 HA PRO A 60 -6.437 14.593 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.623 16.732 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.983 16.245 -4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.539 15.589 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.983 16.050 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.793 13.450 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.101 13.887 -5.998 1.00 0.00 H new ATOM 908 N GLU A 61 -9.469 13.896 -2.958 1.00 0.00 N ATOM 909 CA GLU A 61 -10.799 13.834 -2.363 1.00 0.00 C ATOM 910 C GLU A 61 -10.935 12.609 -1.464 1.00 0.00 C ATOM 911 O GLU A 61 -11.841 12.531 -0.635 1.00 0.00 O ATOM 912 CB GLU A 61 -11.870 13.799 -3.456 1.00 0.00 C ATOM 913 CG GLU A 61 -11.789 14.968 -4.424 1.00 0.00 C ATOM 914 CD GLU A 61 -12.721 14.808 -5.610 1.00 0.00 C ATOM 915 OE1 GLU A 61 -12.980 13.654 -6.010 1.00 0.00 O ATOM 916 OE2 GLU A 61 -13.191 15.838 -6.137 1.00 0.00 O ATOM 0 H GLU A 61 -9.337 13.282 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.940 14.728 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.777 12.868 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.855 13.793 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.033 15.890 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.764 15.068 -4.782 1.00 0.00 H new ATOM 923 N GLY A 62 -10.028 11.652 -1.635 1.00 0.00 N ATOM 924 CA GLY A 62 -10.064 10.443 -0.833 1.00 0.00 C ATOM 925 C GLY A 62 -9.471 10.645 0.548 1.00 0.00 C ATOM 926 O GLY A 62 -8.951 11.712 0.873 1.00 0.00 O ATOM 0 H GLY A 62 -9.269 11.692 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.096 10.106 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.517 9.653 -1.348 1.00 0.00 H new ATOM 930 N PRO A 63 -9.547 9.602 1.387 1.00 0.00 N ATOM 931 CA PRO A 63 -9.019 9.645 2.754 1.00 0.00 C ATOM 932 C PRO A 63 -7.495 9.686 2.786 1.00 0.00 C ATOM 933 O PRO A 63 -6.900 10.372 3.616 1.00 0.00 O ATOM 934 CB PRO A 63 -9.532 8.344 3.374 1.00 0.00 C ATOM 935 CG PRO A 63 -9.735 7.427 2.218 1.00 0.00 C ATOM 936 CD PRO A 63 -10.153 8.299 1.066 1.00 0.00 C ATOM 0 HA PRO A 63 -9.338 10.541 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.813 7.933 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.462 8.505 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.819 6.885 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.499 6.682 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.789 7.910 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.238 8.369 0.988 1.00 0.00 H new ATOM 944 N ALA A 64 -6.869 8.946 1.876 1.00 0.00 N ATOM 945 CA ALA A 64 -5.414 8.899 1.799 1.00 0.00 C ATOM 946 C ALA A 64 -4.822 10.304 1.743 1.00 0.00 C ATOM 947 O ALA A 64 -3.727 10.547 2.250 1.00 0.00 O ATOM 948 CB ALA A 64 -4.975 8.091 0.587 1.00 0.00 C ATOM 0 H ALA A 64 -7.347 8.371 1.182 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.043 8.412 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.886 8.064 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.360 7.074 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.364 8.554 -0.320 1.00 0.00 H new ATOM 954 N ALA A 65 -5.553 11.224 1.123 1.00 0.00 N ATOM 955 CA ALA A 65 -5.100 12.605 1.002 1.00 0.00 C ATOM 956 C ALA A 65 -5.274 13.357 2.317 1.00 0.00 C ATOM 957 O ALA A 65 -4.461 14.212 2.666 1.00 0.00 O ATOM 958 CB ALA A 65 -5.854 13.311 -0.115 1.00 0.00 C ATOM 0 H ALA A 65 -6.461 11.039 0.697 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.038 12.593 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.506 14.341 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.676 12.794 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.921 13.305 0.106 1.00 0.00 H new ATOM 964 N ALA A 66 -6.339 13.032 3.043 1.00 0.00 N ATOM 965 CA ALA A 66 -6.618 13.676 4.321 1.00 0.00 C ATOM 966 C ALA A 66 -5.479 13.452 5.309 1.00 0.00 C ATOM 967 O ALA A 66 -5.044 14.381 5.990 1.00 0.00 O ATOM 968 CB ALA A 66 -7.928 13.160 4.897 1.00 0.00 C ATOM 0 H ALA A 66 -7.023 12.327 2.768 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.707 14.748 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.124 13.649 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.741 13.378 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.859 12.083 5.049 1.00 0.00 H new ATOM 974 N ASP A 67 -5.000 12.215 5.382 1.00 0.00 N ATOM 975 CA ASP A 67 -3.910 11.870 6.288 1.00 0.00 C ATOM 976 C ASP A 67 -2.640 12.632 5.924 1.00 0.00 C ATOM 977 O ASP A 67 -2.030 13.283 6.772 1.00 0.00 O ATOM 978 CB ASP A 67 -3.645 10.364 6.249 1.00 0.00 C ATOM 979 CG ASP A 67 -3.041 9.849 7.541 1.00 0.00 C ATOM 980 OD1 ASP A 67 -2.642 10.682 8.382 1.00 0.00 O ATOM 981 OD2 ASP A 67 -2.967 8.614 7.711 1.00 0.00 O ATOM 0 H ASP A 67 -5.349 11.435 4.825 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.205 12.153 7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.580 9.838 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.973 10.138 5.421 1.00 0.00 H new ATOM 986 N GLY A 68 -2.244 12.544 4.658 1.00 0.00 N ATOM 987 CA GLY A 68 -1.048 13.229 4.205 1.00 0.00 C ATOM 988 C GLY A 68 0.199 12.381 4.359 1.00 0.00 C ATOM 989 O GLY A 68 1.239 12.683 3.774 1.00 0.00 O ATOM 0 H GLY A 68 -2.731 12.010 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.167 13.508 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.927 14.154 4.769 1.00 0.00 H new ATOM 993 N ARG A 69 0.096 11.318 5.150 1.00 0.00 N ATOM 994 CA ARG A 69 1.225 10.426 5.382 1.00 0.00 C ATOM 995 C ARG A 69 1.601 9.681 4.105 1.00 0.00 C ATOM 996 O ARG A 69 2.780 9.502 3.803 1.00 0.00 O ATOM 997 CB ARG A 69 0.892 9.425 6.490 1.00 0.00 C ATOM 998 CG ARG A 69 1.277 9.904 7.880 1.00 0.00 C ATOM 999 CD ARG A 69 2.669 9.431 8.267 1.00 0.00 C ATOM 1000 NE ARG A 69 3.713 10.286 7.708 1.00 0.00 N ATOM 1001 CZ ARG A 69 4.928 10.400 8.233 1.00 0.00 C ATOM 1002 NH1 ARG A 69 5.250 9.717 9.322 1.00 0.00 N ATOM 1003 NH2 ARG A 69 5.824 11.199 7.666 1.00 0.00 N ATOM 0 H ARG A 69 -0.758 11.054 5.641 1.00 0.00 H new ATOM 0 HA ARG A 69 2.076 11.032 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.178 9.217 6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.404 8.485 6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.239 10.993 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.552 9.537 8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.757 9.414 9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.814 8.408 7.920 1.00 0.00 H new ATOM 0 HE ARG A 69 3.498 10.825 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.564 9.102 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.184 9.807 9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.580 11.725 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.757 11.286 8.069 1.00 0.00 H new ATOM 1017 N MET A 70 0.590 9.249 3.358 1.00 0.00 N ATOM 1018 CA MET A 70 0.814 8.524 2.113 1.00 0.00 C ATOM 1019 C MET A 70 1.335 9.459 1.026 1.00 0.00 C ATOM 1020 O MET A 70 0.838 10.574 0.863 1.00 0.00 O ATOM 1021 CB MET A 70 -0.479 7.853 1.648 1.00 0.00 C ATOM 1022 CG MET A 70 -0.661 6.444 2.189 1.00 0.00 C ATOM 1023 SD MET A 70 -1.602 5.387 1.071 1.00 0.00 S ATOM 1024 CE MET A 70 -0.278 4.554 0.198 1.00 0.00 C ATOM 0 H MET A 70 -0.393 9.389 3.594 1.00 0.00 H new ATOM 0 HA MET A 70 1.566 7.757 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.327 8.464 1.956 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.490 7.819 0.559 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.318 5.998 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.169 6.492 3.152 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.674 4.089 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.491 5.278 -0.073 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.156 3.788 0.840 1.00 0.00 H new ATOM 1034 N ARG A 71 2.337 8.999 0.286 1.00 0.00 N ATOM 1035 CA ARG A 71 2.926 9.795 -0.785 1.00 0.00 C ATOM 1036 C ARG A 71 3.080 8.967 -2.057 1.00 0.00 C ATOM 1037 O ARG A 71 2.883 7.751 -2.045 1.00 0.00 O ATOM 1038 CB ARG A 71 4.286 10.344 -0.352 1.00 0.00 C ATOM 1039 CG ARG A 71 4.206 11.334 0.799 1.00 0.00 C ATOM 1040 CD ARG A 71 4.041 12.760 0.296 1.00 0.00 C ATOM 1041 NE ARG A 71 5.252 13.256 -0.352 1.00 0.00 N ATOM 1042 CZ ARG A 71 6.332 13.649 0.314 1.00 0.00 C ATOM 1043 NH1 ARG A 71 6.352 13.605 1.638 1.00 0.00 N ATOM 1044 NH2 ARG A 71 7.396 14.088 -0.347 1.00 0.00 N ATOM 0 H ARG A 71 2.759 8.078 0.408 1.00 0.00 H new ATOM 0 HA ARG A 71 2.256 10.629 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.928 9.512 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.761 10.829 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.367 11.075 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.109 11.263 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.210 12.802 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.784 13.411 1.131 1.00 0.00 H new ATOM 0 HE ARG A 71 5.269 13.303 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.536 13.268 2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.183 13.908 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.384 14.124 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.225 14.390 0.164 1.00 0.00 H new ATOM 1058 N ILE A 72 3.433 9.632 -3.151 1.00 0.00 N ATOM 1059 CA ILE A 72 3.615 8.958 -4.430 1.00 0.00 C ATOM 1060 C ILE A 72 4.915 8.160 -4.451 1.00 0.00 C ATOM 1061 O ILE A 72 5.999 8.717 -4.287 1.00 0.00 O ATOM 1062 CB ILE A 72 3.621 9.960 -5.599 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.467 10.954 -5.454 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.529 9.224 -6.928 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.169 10.313 -5.017 1.00 0.00 C ATOM 0 H ILE A 72 3.599 10.638 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 72 2.772 8.278 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 72 4.559 10.515 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.746 11.720 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.311 11.459 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.534 9.946 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.381 8.552 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.605 8.646 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.396 11.077 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.866 9.567 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.308 9.832 -4.049 1.00 0.00 H new ATOM 1077 N GLY A 73 4.797 6.852 -4.657 1.00 0.00 N ATOM 1078 CA GLY A 73 5.970 5.999 -4.699 1.00 0.00 C ATOM 1079 C GLY A 73 5.878 4.839 -3.727 1.00 0.00 C ATOM 1080 O GLY A 73 6.625 3.867 -3.839 1.00 0.00 O ATOM 0 H GLY A 73 3.910 6.368 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.099 5.613 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.855 6.592 -4.470 1.00 0.00 H new ATOM 1084 N ASP A 74 4.962 4.942 -2.771 1.00 0.00 N ATOM 1085 CA ASP A 74 4.775 3.893 -1.775 1.00 0.00 C ATOM 1086 C ASP A 74 4.542 2.542 -2.445 1.00 0.00 C ATOM 1087 O ASP A 74 4.060 2.475 -3.576 1.00 0.00 O ATOM 1088 CB ASP A 74 3.597 4.232 -0.861 1.00 0.00 C ATOM 1089 CG ASP A 74 3.809 5.527 -0.101 1.00 0.00 C ATOM 1090 OD1 ASP A 74 4.902 5.705 0.477 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.882 6.363 -0.084 1.00 0.00 O ATOM 0 H ASP A 74 4.337 5.741 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 74 5.683 3.830 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.688 4.309 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.445 3.418 -0.152 1.00 0.00 H new ATOM 1096 N GLU A 75 4.889 1.470 -1.741 1.00 0.00 N ATOM 1097 CA GLU A 75 4.719 0.122 -2.269 1.00 0.00 C ATOM 1098 C GLU A 75 3.913 -0.744 -1.304 1.00 0.00 C ATOM 1099 O GLU A 75 4.462 -1.321 -0.364 1.00 0.00 O ATOM 1100 CB GLU A 75 6.081 -0.522 -2.533 1.00 0.00 C ATOM 1101 CG GLU A 75 6.005 -2.012 -2.821 1.00 0.00 C ATOM 1102 CD GLU A 75 7.374 -2.656 -2.929 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.964 -2.613 -4.029 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.854 -3.205 -1.915 1.00 0.00 O ATOM 0 H GLU A 75 5.290 1.509 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 75 4.171 0.195 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.553 -0.021 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.724 -0.360 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.438 -2.503 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.458 -2.171 -3.750 1.00 0.00 H new ATOM 1111 N LEU A 76 2.609 -0.828 -1.542 1.00 0.00 N ATOM 1112 CA LEU A 76 1.727 -1.622 -0.694 1.00 0.00 C ATOM 1113 C LEU A 76 2.271 -3.035 -0.514 1.00 0.00 C ATOM 1114 O LEU A 76 2.585 -3.720 -1.489 1.00 0.00 O ATOM 1115 CB LEU A 76 0.322 -1.677 -1.297 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.414 -0.341 -1.409 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.686 -0.499 -2.226 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.731 0.210 -0.026 1.00 0.00 C ATOM 0 H LEU A 76 2.139 -0.356 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 76 1.678 -1.145 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.393 -2.114 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.284 -2.353 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 76 0.236 0.368 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.196 0.462 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.434 -0.849 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.341 -1.224 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.255 1.161 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.362 -0.498 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.196 0.362 0.526 1.00 0.00 H new ATOM 1130 N LEU A 77 2.378 -3.467 0.738 1.00 0.00 N ATOM 1131 CA LEU A 77 2.883 -4.801 1.046 1.00 0.00 C ATOM 1132 C LEU A 77 1.762 -5.703 1.553 1.00 0.00 C ATOM 1133 O LEU A 77 1.652 -6.859 1.147 1.00 0.00 O ATOM 1134 CB LEU A 77 3.997 -4.717 2.090 1.00 0.00 C ATOM 1135 CG LEU A 77 5.210 -3.867 1.710 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.913 -3.353 2.957 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.173 -4.668 0.845 1.00 0.00 C ATOM 0 H LEU A 77 2.122 -2.914 1.556 1.00 0.00 H new ATOM 0 HA LEU A 77 3.285 -5.232 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.574 -4.319 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.341 -5.728 2.308 1.00 0.00 H new ATOM 0 HG LEU A 77 4.863 -3.010 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.774 -2.750 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.222 -2.743 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.248 -4.197 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.030 -4.047 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.514 -5.544 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.665 -4.987 -0.065 1.00 0.00 H new ATOM 1149 N GLU A 78 0.933 -5.165 2.442 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.180 -5.922 3.003 1.00 0.00 C ATOM 1151 C GLU A 78 -1.372 -5.011 3.283 1.00 0.00 C ATOM 1152 O GLU A 78 -1.211 -3.807 3.487 1.00 0.00 O ATOM 1153 CB GLU A 78 0.251 -6.627 4.291 1.00 0.00 C ATOM 1154 CG GLU A 78 1.644 -7.229 4.218 1.00 0.00 C ATOM 1155 CD GLU A 78 1.928 -8.182 5.363 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.965 -8.771 5.898 1.00 0.00 O ATOM 1157 OE2 GLU A 78 3.113 -8.339 5.723 1.00 0.00 O ATOM 0 H GLU A 78 1.011 -4.209 2.789 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.482 -6.671 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.215 -5.914 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.465 -7.416 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.758 -7.759 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.383 -6.428 4.225 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.566 -5.593 3.290 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.784 -4.835 3.546 1.00 0.00 C ATOM 1166 C ILE A 79 -4.851 -5.710 4.194 1.00 0.00 C ATOM 1167 O ILE A 79 -4.985 -6.888 3.866 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.351 -4.228 2.249 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.343 -3.257 1.631 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.671 -3.524 2.527 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.766 -2.728 0.278 1.00 0.00 C ATOM 0 H ILE A 79 -2.716 -6.588 3.121 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.516 -4.029 4.229 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.534 -5.034 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.195 -2.418 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.381 -3.759 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.059 -3.100 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.388 -4.241 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.512 -2.726 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.005 -2.046 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.886 -3.559 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.713 -2.197 0.375 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.610 -5.125 5.114 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.668 -5.851 5.808 1.00 0.00 C ATOM 1185 C ASN A 80 -6.267 -7.305 6.041 1.00 0.00 C ATOM 1186 O ASN A 80 -7.022 -8.225 5.732 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.968 -5.792 5.004 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.153 -6.332 5.780 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.590 -5.585 6.788 1.00 0.00 O flip ATOM 1190 ND2 ASN A 80 -9.670 -7.408 5.478 1.00 0.00 N flip ATOM 0 H ASN A 80 -5.513 -4.150 5.397 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.826 -5.376 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.166 -4.760 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.849 -6.364 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.302 -7.949 4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.467 -7.758 6.010 1.00 0.00 H new ATOM 1197 N ASN A 81 -5.072 -7.502 6.589 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.570 -8.844 6.864 1.00 0.00 C ATOM 1199 C ASN A 81 -4.521 -9.678 5.588 1.00 0.00 C ATOM 1200 O ASN A 81 -5.082 -10.772 5.529 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.450 -9.536 7.907 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.017 -9.226 9.327 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.872 -8.062 9.703 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -4.809 -10.268 10.123 1.00 0.00 N ATOM 0 H ASN A 81 -4.434 -6.751 6.851 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.557 -8.753 7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.485 -9.224 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.418 -10.614 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.517 -10.121 11.089 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.942 -11.215 9.768 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.846 -9.154 4.570 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.724 -9.852 3.296 1.00 0.00 C ATOM 1213 C GLN A 82 -2.498 -9.370 2.527 1.00 0.00 C ATOM 1214 O GLN A 82 -2.496 -8.274 1.966 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.984 -9.642 2.453 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.156 -10.508 2.887 1.00 0.00 C ATOM 1217 CD GLN A 82 -7.192 -10.678 1.793 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -6.852 -10.848 0.622 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -8.464 -10.633 2.170 1.00 0.00 N ATOM 0 H GLN A 82 -3.376 -8.249 4.603 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.606 -10.916 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.277 -8.594 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.753 -9.854 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.787 -11.488 3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.628 -10.062 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.700 -10.490 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.205 -10.741 1.478 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.458 -10.196 2.505 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.226 -9.854 1.804 1.00 0.00 C ATOM 1230 C ILE A 83 -0.461 -9.745 0.301 1.00 0.00 C ATOM 1231 O ILE A 83 -1.029 -10.647 -0.317 1.00 0.00 O ATOM 1232 CB ILE A 83 0.878 -10.895 2.065 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.179 -10.987 3.563 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.137 -10.539 1.288 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.355 -11.880 3.889 1.00 0.00 C ATOM 0 H ILE A 83 -1.443 -11.107 2.964 1.00 0.00 H new ATOM 0 HA ILE A 83 0.099 -8.888 2.190 1.00 0.00 H new ATOM 0 HB ILE A 83 0.526 -11.868 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.375 -9.986 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.295 -11.360 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.908 -11.284 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.913 -10.519 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.493 -9.558 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.510 -11.898 4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.153 -12.891 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.250 -11.496 3.400 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.019 -8.636 -0.282 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.179 -8.409 -1.714 1.00 0.00 C ATOM 1249 C LEU A 84 1.092 -8.783 -2.470 1.00 0.00 C ATOM 1250 O LEU A 84 1.038 -9.206 -3.625 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.533 -6.946 -1.982 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.557 -6.319 -1.035 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.525 -4.802 -1.142 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.952 -6.847 -1.333 1.00 0.00 C ATOM 0 H LEU A 84 0.453 -7.880 0.215 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.991 -9.044 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.383 -6.357 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.913 -6.866 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.296 -6.596 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.260 -4.374 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.531 -4.440 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.760 -4.504 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.668 -6.390 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.223 -6.601 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.967 -7.929 -1.204 1.00 0.00 H new ATOM 1266 N TYR A 85 2.234 -8.626 -1.811 1.00 0.00 N ATOM 1267 CA TYR A 85 3.520 -8.947 -2.420 1.00 0.00 C ATOM 1268 C TYR A 85 3.403 -10.169 -3.325 1.00 0.00 C ATOM 1269 O TYR A 85 3.405 -11.306 -2.855 1.00 0.00 O ATOM 1270 CB TYR A 85 4.572 -9.197 -1.339 1.00 0.00 C ATOM 1271 CG TYR A 85 5.959 -9.443 -1.889 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.350 -10.712 -2.297 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.878 -8.407 -2.000 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.616 -10.942 -2.800 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.146 -8.628 -2.503 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.510 -9.897 -2.902 1.00 0.00 C ATOM 1277 OH TYR A 85 9.772 -10.121 -3.402 1.00 0.00 O ATOM 0 H TYR A 85 2.296 -8.278 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 85 3.829 -8.096 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.603 -8.338 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.269 -10.057 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.652 -11.533 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.597 -7.412 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.904 -11.935 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.848 -7.811 -2.583 1.00 0.00 H new ATOM 0 HH TYR A 85 10.276 -9.280 -3.408 1.00 0.00 H new ATOM 1287 N GLY A 86 3.304 -9.926 -4.628 1.00 0.00 N ATOM 1288 CA GLY A 86 3.189 -11.016 -5.580 1.00 0.00 C ATOM 1289 C GLY A 86 1.813 -11.091 -6.211 1.00 0.00 C ATOM 1290 O GLY A 86 1.374 -12.161 -6.633 1.00 0.00 O ATOM 0 H GLY A 86 3.301 -8.994 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.938 -10.892 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.407 -11.958 -5.077 1.00 0.00 H new ATOM 1294 N ARG A 87 1.129 -9.953 -6.275 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.206 -9.896 -6.857 1.00 0.00 C ATOM 1296 C ARG A 87 -0.349 -8.683 -7.772 1.00 0.00 C ATOM 1297 O ARG A 87 0.611 -7.946 -7.997 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.264 -9.842 -5.753 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.212 -11.025 -4.800 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.229 -10.883 -3.679 1.00 0.00 C ATOM 1301 NE ARG A 87 -3.523 -11.458 -4.037 1.00 0.00 N ATOM 1302 CZ ARG A 87 -3.724 -12.758 -4.220 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -2.721 -13.614 -4.078 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -4.930 -13.205 -4.544 1.00 0.00 N ATOM 0 H ARG A 87 1.478 -9.058 -5.931 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.355 -10.798 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.136 -8.922 -5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.252 -9.798 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.403 -11.946 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.211 -11.108 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.850 -11.373 -2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.356 -9.828 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.316 -10.827 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.792 -13.274 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.878 -14.612 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.704 -12.550 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.083 -14.204 -4.684 1.00 0.00 H new ATOM 1318 N SER A 88 -1.553 -8.484 -8.299 1.00 0.00 N ATOM 1319 CA SER A 88 -1.820 -7.364 -9.193 1.00 0.00 C ATOM 1320 C SER A 88 -2.543 -6.241 -8.457 1.00 0.00 C ATOM 1321 O SER A 88 -3.391 -6.490 -7.599 1.00 0.00 O ATOM 1322 CB SER A 88 -2.656 -7.827 -10.388 1.00 0.00 C ATOM 1323 OG SER A 88 -2.433 -7.000 -11.517 1.00 0.00 O ATOM 0 H SER A 88 -2.359 -9.084 -8.122 1.00 0.00 H new ATOM 0 HA SER A 88 -0.864 -6.982 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.405 -8.859 -10.634 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.713 -7.811 -10.124 1.00 0.00 H new ATOM 0 HG SER A 88 -2.977 -7.317 -12.268 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.202 -5.002 -8.798 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.819 -3.839 -8.170 1.00 0.00 C ATOM 1331 C HIS A 89 -4.340 -3.956 -8.185 1.00 0.00 C ATOM 1332 O HIS A 89 -5.023 -3.394 -7.329 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.387 -2.558 -8.885 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.725 -2.543 -10.344 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.928 -2.078 -10.833 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -2.009 -2.938 -11.422 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.938 -2.190 -12.149 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.785 -2.708 -12.532 1.00 0.00 N ATOM 0 H HIS A 89 -1.502 -4.778 -9.505 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.486 -3.797 -7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.862 -1.704 -8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.311 -2.432 -8.769 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.013 -3.356 -11.412 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.751 -1.906 -12.801 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.515 -2.905 -13.496 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.863 -4.687 -9.164 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.303 -4.876 -9.290 1.00 0.00 C ATOM 1349 C GLN A 90 -6.868 -5.590 -8.067 1.00 0.00 C ATOM 1350 O GLN A 90 -8.001 -5.338 -7.658 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.625 -5.673 -10.555 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.631 -4.831 -11.821 1.00 0.00 C ATOM 1353 CD GLN A 90 -7.897 -4.012 -11.971 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -8.141 -3.078 -11.206 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -8.713 -4.358 -12.960 1.00 0.00 N ATOM 0 H GLN A 90 -4.311 -5.158 -9.881 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.768 -3.893 -9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.894 -6.474 -10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.600 -6.145 -10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.770 -4.163 -11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.520 -5.483 -12.687 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.472 -5.139 -13.571 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.581 -3.843 -13.109 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.071 -6.481 -7.487 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.492 -7.233 -6.311 1.00 0.00 C ATOM 1366 C ASN A 91 -6.611 -6.319 -5.095 1.00 0.00 C ATOM 1367 O ASN A 91 -7.654 -6.266 -4.445 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.502 -8.362 -6.019 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.866 -9.649 -6.733 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -7.018 -10.081 -6.709 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -4.881 -10.269 -7.373 1.00 0.00 N ATOM 0 H ASN A 91 -5.129 -6.700 -7.812 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.472 -7.663 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.502 -8.052 -6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.468 -8.543 -4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.065 -11.140 -7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.940 -9.874 -7.366 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.535 -5.599 -4.795 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.519 -4.685 -3.660 1.00 0.00 C ATOM 1380 C ALA A 92 -6.860 -3.976 -3.507 1.00 0.00 C ATOM 1381 O ALA A 92 -7.502 -4.061 -2.460 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.397 -3.669 -3.816 1.00 0.00 C ATOM 0 H ALA A 92 -4.663 -5.631 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.342 -5.269 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.397 -2.993 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.440 -4.189 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.549 -3.097 -4.731 1.00 0.00 H new ATOM 1388 N SER A 93 -7.277 -3.277 -4.557 1.00 0.00 N ATOM 1389 CA SER A 93 -8.541 -2.549 -4.537 1.00 0.00 C ATOM 1390 C SER A 93 -9.684 -3.458 -4.097 1.00 0.00 C ATOM 1391 O SER A 93 -10.545 -3.056 -3.314 1.00 0.00 O ATOM 1392 CB SER A 93 -8.840 -1.967 -5.920 1.00 0.00 C ATOM 1393 OG SER A 93 -10.065 -1.254 -5.919 1.00 0.00 O ATOM 0 H SER A 93 -6.759 -3.199 -5.432 1.00 0.00 H new ATOM 0 HA SER A 93 -8.452 -1.734 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.030 -1.303 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.884 -2.771 -6.655 1.00 0.00 H new ATOM 0 HG SER A 93 -10.233 -0.891 -6.814 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.686 -4.685 -4.606 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.722 -5.652 -4.265 1.00 0.00 C ATOM 1401 C ALA A 94 -10.687 -5.992 -2.779 1.00 0.00 C ATOM 1402 O ALA A 94 -11.727 -6.052 -2.122 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.562 -6.914 -5.100 1.00 0.00 C ATOM 0 H ALA A 94 -8.982 -5.033 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.690 -5.203 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.342 -7.627 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.644 -6.663 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.585 -7.357 -4.907 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.486 -6.215 -2.255 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.317 -6.548 -0.846 1.00 0.00 C ATOM 1411 C ILE A 95 -9.859 -5.439 0.050 1.00 0.00 C ATOM 1412 O ILE A 95 -10.524 -5.706 1.051 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.837 -6.796 -0.500 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.293 -7.978 -1.304 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.677 -7.044 0.992 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.803 -8.183 -1.145 1.00 0.00 C ATOM 0 H ILE A 95 -8.616 -6.171 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.881 -7.463 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.264 -5.908 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.811 -8.886 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.520 -7.824 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.626 -7.218 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.030 -6.174 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.260 -7.918 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.487 -9.038 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.275 -7.290 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.571 -8.369 -0.096 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.571 -4.195 -0.318 1.00 0.00 N ATOM 1429 CA ILE A 96 -10.032 -3.046 0.451 1.00 0.00 C ATOM 1430 C ILE A 96 -11.553 -2.947 0.434 1.00 0.00 C ATOM 1431 O ILE A 96 -12.185 -2.727 1.467 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.437 -1.732 -0.089 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.935 -1.672 0.197 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.147 -0.537 0.528 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.199 -0.659 -0.652 1.00 0.00 C ATOM 0 H ILE A 96 -9.021 -3.957 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.692 -3.195 1.476 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.584 -1.700 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.783 -1.431 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.502 -2.658 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.716 0.384 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.207 -0.575 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.028 -0.562 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.140 -0.671 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.320 -0.910 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.606 0.335 -0.467 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.138 -3.113 -0.748 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.586 -3.046 -0.902 1.00 0.00 C ATOM 1449 C LYS A 97 -14.281 -3.993 0.071 1.00 0.00 C ATOM 1450 O LYS A 97 -15.264 -3.626 0.716 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.983 -3.393 -2.339 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.252 -2.699 -2.803 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.449 -2.842 -4.303 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.501 -1.938 -5.078 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.695 -2.063 -6.549 1.00 0.00 N ATOM 0 H LYS A 97 -11.630 -3.295 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.903 -2.027 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.166 -3.123 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.118 -4.472 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.110 -3.121 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.207 -1.642 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.285 -3.879 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.479 -2.597 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.660 -0.902 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.471 -2.189 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.031 -1.432 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.519 -3.046 -6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.671 -1.799 -6.794 1.00 0.00 H new ATOM 1469 N THR A 98 -13.764 -5.213 0.174 1.00 0.00 N ATOM 1470 CA THR A 98 -14.334 -6.212 1.069 1.00 0.00 C ATOM 1471 C THR A 98 -14.006 -5.898 2.524 1.00 0.00 C ATOM 1472 O THR A 98 -14.741 -6.283 3.433 1.00 0.00 O ATOM 1473 CB THR A 98 -13.823 -7.625 0.733 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.408 -7.696 0.939 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.150 -7.990 -0.707 1.00 0.00 C ATOM 0 H THR A 98 -12.951 -5.533 -0.352 1.00 0.00 H new ATOM 0 HA THR A 98 -15.414 -6.182 0.928 1.00 0.00 H new ATOM 0 HB THR A 98 -14.322 -8.335 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.031 -6.791 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.779 -8.992 -0.921 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.230 -7.964 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.675 -7.276 -1.380 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.898 -5.196 2.738 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.474 -4.828 4.083 1.00 0.00 C ATOM 1485 C ALA A 99 -13.443 -3.833 4.711 1.00 0.00 C ATOM 1486 O ALA A 99 -14.127 -3.076 4.022 1.00 0.00 O ATOM 1487 CB ALA A 99 -11.066 -4.251 4.054 1.00 0.00 C ATOM 0 H ALA A 99 -12.278 -4.871 1.997 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.472 -5.729 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.763 -3.981 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.376 -4.995 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.049 -3.364 3.421 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.506 -3.831 6.051 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.389 -2.933 6.801 1.00 0.00 C ATOM 1495 C PRO A 100 -13.938 -1.479 6.723 1.00 0.00 C ATOM 1496 O PRO A 100 -12.855 -1.180 6.219 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.282 -3.450 8.238 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.953 -4.120 8.302 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.719 -4.706 6.937 1.00 0.00 C ATOM 0 HA PRO A 100 -15.405 -2.937 6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.349 -2.634 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.088 -4.147 8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.169 -3.408 8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.944 -4.896 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.662 -4.699 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.055 -5.741 6.881 1.00 0.00 H new ATOM 1507 N SER A 101 -14.775 -0.577 7.226 1.00 0.00 N ATOM 1508 CA SER A 101 -14.464 0.848 7.210 1.00 0.00 C ATOM 1509 C SER A 101 -12.995 1.087 7.545 1.00 0.00 C ATOM 1510 O SER A 101 -12.248 1.656 6.749 1.00 0.00 O ATOM 1511 CB SER A 101 -15.354 1.597 8.203 1.00 0.00 C ATOM 1512 OG SER A 101 -16.556 2.026 7.587 1.00 0.00 O ATOM 0 H SER A 101 -15.674 -0.808 7.650 1.00 0.00 H new ATOM 0 HA SER A 101 -14.656 1.225 6.206 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.586 0.949 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.817 2.459 8.599 1.00 0.00 H new ATOM 0 HG SER A 101 -17.108 2.501 8.243 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.586 0.647 8.730 1.00 0.00 N ATOM 1519 CA LYS A 102 -11.207 0.810 9.174 1.00 0.00 C ATOM 1520 C LYS A 102 -10.314 -0.277 8.585 1.00 0.00 C ATOM 1521 O LYS A 102 -10.456 -1.455 8.911 1.00 0.00 O ATOM 1522 CB LYS A 102 -11.133 0.774 10.702 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.799 1.240 11.258 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.950 1.834 12.648 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.380 3.292 12.586 1.00 0.00 C ATOM 1526 NZ LYS A 102 -11.072 3.719 13.834 1.00 0.00 N ATOM 0 H LYS A 102 -13.191 0.174 9.401 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.851 1.778 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.926 1.400 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.323 -0.244 11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.106 0.400 11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.365 1.983 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.685 1.260 13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.004 1.755 13.184 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.506 3.922 12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.044 3.439 11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.349 4.718 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.920 3.135 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.430 3.603 14.644 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.392 0.127 7.716 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.474 -0.813 7.084 1.00 0.00 C ATOM 1542 C VAL A 103 -7.023 -0.438 7.366 1.00 0.00 C ATOM 1543 O VAL A 103 -6.692 0.738 7.517 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.690 -0.870 5.560 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.814 -1.945 4.936 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -10.157 -1.114 5.240 1.00 0.00 C ATOM 0 H VAL A 103 -9.261 1.099 7.434 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.683 -1.794 7.510 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.403 0.091 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.980 -1.970 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.766 -1.722 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.067 -2.915 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.292 -1.151 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.472 -2.061 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.759 -0.305 5.653 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.161 -1.446 7.437 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.744 -1.224 7.700 1.00 0.00 C ATOM 1558 C LYS A 104 -3.926 -1.357 6.419 1.00 0.00 C ATOM 1559 O LYS A 104 -4.068 -2.330 5.677 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.236 -2.218 8.747 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.799 -1.972 9.173 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.405 -2.858 10.343 1.00 0.00 C ATOM 1563 CE LYS A 104 -0.907 -2.807 10.600 1.00 0.00 C ATOM 1564 NZ LYS A 104 -0.479 -3.837 11.587 1.00 0.00 N ATOM 0 H LYS A 104 -6.419 -2.425 7.316 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.626 -0.210 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.880 -2.169 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.320 -3.228 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.132 -2.160 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.675 -0.925 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.940 -2.540 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.706 -3.886 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.372 -2.958 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.635 -1.817 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.548 -3.770 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.970 -3.678 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.716 -4.783 11.226 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.069 -0.374 6.165 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.226 -0.381 4.974 1.00 0.00 C ATOM 1580 C LEU A 105 -0.749 -0.351 5.352 1.00 0.00 C ATOM 1581 O LEU A 105 -0.283 0.583 6.005 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.560 0.815 4.082 1.00 0.00 C ATOM 1583 CG LEU A 105 -4.026 0.957 3.670 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.355 2.409 3.360 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.332 0.071 2.471 1.00 0.00 C ATOM 0 H LEU A 105 -2.939 0.438 6.768 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.423 -1.302 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.260 1.725 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.954 0.749 3.178 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.650 0.634 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.402 2.491 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.176 3.020 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.723 2.759 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.380 0.185 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.699 0.362 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.137 -0.970 2.728 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.016 -1.379 4.936 1.00 0.00 N ATOM 1598 CA VAL A 106 1.410 -1.469 5.228 1.00 0.00 C ATOM 1599 C VAL A 106 2.241 -1.325 3.958 1.00 0.00 C ATOM 1600 O VAL A 106 2.358 -2.264 3.170 1.00 0.00 O ATOM 1601 CB VAL A 106 1.760 -2.806 5.908 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.256 -2.898 6.165 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.977 -2.965 7.203 1.00 0.00 C ATOM 0 H VAL A 106 -0.386 -2.161 4.396 1.00 0.00 H new ATOM 0 HA VAL A 106 1.646 -0.651 5.908 1.00 0.00 H new ATOM 0 HB VAL A 106 1.480 -3.619 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.485 -3.849 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.793 -2.832 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.565 -2.079 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.236 -3.915 7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.224 -2.148 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.091 -2.947 6.987 1.00 0.00 H new ATOM 1613 N PHE A 107 2.817 -0.143 3.765 1.00 0.00 N ATOM 1614 CA PHE A 107 3.638 0.125 2.590 1.00 0.00 C ATOM 1615 C PHE A 107 4.988 0.711 2.992 1.00 0.00 C ATOM 1616 O PHE A 107 5.219 1.020 4.161 1.00 0.00 O ATOM 1617 CB PHE A 107 2.913 1.084 1.644 1.00 0.00 C ATOM 1618 CG PHE A 107 2.715 2.458 2.219 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.745 3.384 2.204 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.499 2.822 2.773 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.566 4.648 2.734 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.313 4.085 3.304 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.348 5.000 3.283 1.00 0.00 C ATOM 0 H PHE A 107 2.730 0.645 4.407 1.00 0.00 H new ATOM 0 HA PHE A 107 3.812 -0.820 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.480 1.165 0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.941 0.663 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.698 3.115 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.686 2.111 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.378 5.360 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.360 4.356 3.734 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.205 5.988 3.695 1.00 0.00 H new ATOM 1633 N ILE A 108 5.876 0.861 2.014 1.00 0.00 N ATOM 1634 CA ILE A 108 7.202 1.411 2.265 1.00 0.00 C ATOM 1635 C ILE A 108 7.437 2.675 1.446 1.00 0.00 C ATOM 1636 O ILE A 108 7.133 2.720 0.254 1.00 0.00 O ATOM 1637 CB ILE A 108 8.306 0.388 1.939 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.680 0.954 2.303 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.257 0.008 0.466 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.702 -0.109 2.640 1.00 0.00 C ATOM 0 H ILE A 108 5.701 0.609 1.041 1.00 0.00 H new ATOM 0 HA ILE A 108 7.247 1.656 3.326 1.00 0.00 H new ATOM 0 HB ILE A 108 8.135 -0.510 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.050 1.551 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.573 1.626 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.043 -0.716 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.286 -0.431 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.406 0.898 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.652 0.365 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.354 -0.691 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.838 -0.768 1.782 1.00 0.00 H new ATOM 1652 N ARG A 109 7.983 3.700 2.093 1.00 0.00 N ATOM 1653 CA ARG A 109 8.260 4.965 1.424 1.00 0.00 C ATOM 1654 C ARG A 109 9.685 4.992 0.881 1.00 0.00 C ATOM 1655 O ARG A 109 10.594 5.521 1.520 1.00 0.00 O ATOM 1656 CB ARG A 109 8.048 6.134 2.389 1.00 0.00 C ATOM 1657 CG ARG A 109 8.356 7.491 1.778 1.00 0.00 C ATOM 1658 CD ARG A 109 7.126 8.100 1.124 1.00 0.00 C ATOM 1659 NE ARG A 109 6.298 8.825 2.084 1.00 0.00 N ATOM 1660 CZ ARG A 109 6.708 9.905 2.740 1.00 0.00 C ATOM 1661 NH1 ARG A 109 7.929 10.382 2.541 1.00 0.00 N ATOM 1662 NH2 ARG A 109 5.896 10.510 3.597 1.00 0.00 N ATOM 0 H ARG A 109 8.242 3.679 3.079 1.00 0.00 H new ATOM 0 HA ARG A 109 7.569 5.064 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.014 6.126 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.678 5.989 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.729 8.163 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.149 7.386 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.436 8.778 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.535 7.311 0.658 1.00 0.00 H new ATOM 0 HE ARG A 109 5.353 8.483 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.556 9.920 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.241 11.211 3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.956 10.146 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.212 11.339 4.100 1.00 0.00 H new ATOM 1676 N ASN A 110 9.873 4.418 -0.303 1.00 0.00 N ATOM 1677 CA ASN A 110 11.188 4.375 -0.932 1.00 0.00 C ATOM 1678 C ASN A 110 11.299 5.427 -2.032 1.00 0.00 C ATOM 1679 O ASN A 110 10.616 5.346 -3.052 1.00 0.00 O ATOM 1680 CB ASN A 110 11.454 2.985 -1.512 1.00 0.00 C ATOM 1681 CG ASN A 110 12.772 2.912 -2.258 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.540 3.874 -2.280 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.041 1.766 -2.874 1.00 0.00 N ATOM 0 H ASN A 110 9.131 3.976 -0.846 1.00 0.00 H new ATOM 0 HA ASN A 110 11.936 4.592 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.455 2.252 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.642 2.715 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.913 1.658 -3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.375 0.994 -2.829 1.00 0.00 H new ATOM 1690 N GLU A 111 12.165 6.412 -1.816 1.00 0.00 N ATOM 1691 CA GLU A 111 12.366 7.479 -2.789 1.00 0.00 C ATOM 1692 C GLU A 111 12.668 6.906 -4.171 1.00 0.00 C ATOM 1693 O GLU A 111 12.286 7.480 -5.190 1.00 0.00 O ATOM 1694 CB GLU A 111 13.506 8.397 -2.345 1.00 0.00 C ATOM 1695 CG GLU A 111 14.887 7.805 -2.571 1.00 0.00 C ATOM 1696 CD GLU A 111 15.974 8.560 -1.829 1.00 0.00 C ATOM 1697 OE1 GLU A 111 15.667 9.166 -0.782 1.00 0.00 O ATOM 1698 OE2 GLU A 111 17.131 8.543 -2.297 1.00 0.00 O ATOM 0 H GLU A 111 12.738 6.493 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 111 11.445 8.059 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.432 9.341 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.386 8.625 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.889 6.764 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.110 7.810 -3.638 1.00 0.00 H new ATOM 1705 N ASP A 112 13.357 5.770 -4.196 1.00 0.00 N ATOM 1706 CA ASP A 112 13.711 5.118 -5.451 1.00 0.00 C ATOM 1707 C ASP A 112 12.472 4.554 -6.138 1.00 0.00 C ATOM 1708 O ASP A 112 12.439 4.410 -7.360 1.00 0.00 O ATOM 1709 CB ASP A 112 14.724 4.000 -5.201 1.00 0.00 C ATOM 1710 CG ASP A 112 16.141 4.522 -5.067 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.355 5.462 -4.272 1.00 0.00 O ATOM 1712 OD2 ASP A 112 17.037 3.992 -5.756 1.00 0.00 O ATOM 0 H ASP A 112 13.681 5.282 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 112 14.160 5.865 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.451 3.462 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.680 3.284 -6.021 1.00 0.00 H new ATOM 1717 N ALA A 113 11.454 4.235 -5.345 1.00 0.00 N ATOM 1718 CA ALA A 113 10.213 3.687 -5.877 1.00 0.00 C ATOM 1719 C ALA A 113 9.690 4.534 -7.033 1.00 0.00 C ATOM 1720 O ALA A 113 9.429 4.022 -8.122 1.00 0.00 O ATOM 1721 CB ALA A 113 9.166 3.588 -4.777 1.00 0.00 C ATOM 0 H ALA A 113 11.465 4.347 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 113 10.420 2.687 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.244 3.177 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.532 2.936 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.971 4.580 -4.370 1.00 0.00 H new ATOM 1727 N VAL A 114 9.539 5.831 -6.788 1.00 0.00 N ATOM 1728 CA VAL A 114 9.047 6.749 -7.809 1.00 0.00 C ATOM 1729 C VAL A 114 9.675 6.449 -9.166 1.00 0.00 C ATOM 1730 O VAL A 114 9.069 6.692 -10.208 1.00 0.00 O ATOM 1731 CB VAL A 114 9.339 8.214 -7.434 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.699 8.561 -6.098 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.839 8.466 -7.397 1.00 0.00 C ATOM 0 H VAL A 114 9.750 6.270 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 114 7.968 6.605 -7.871 1.00 0.00 H new ATOM 0 HB VAL A 114 8.904 8.860 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.916 9.600 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.620 8.422 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.102 7.911 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.027 9.506 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.300 7.813 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.267 8.260 -8.378 1.00 0.00 H new ATOM 1743 N ASN A 115 10.893 5.919 -9.144 1.00 0.00 N ATOM 1744 CA ASN A 115 11.603 5.585 -10.373 1.00 0.00 C ATOM 1745 C ASN A 115 11.193 4.206 -10.881 1.00 0.00 C ATOM 1746 O ASN A 115 10.975 4.015 -12.077 1.00 0.00 O ATOM 1747 CB ASN A 115 13.115 5.626 -10.140 1.00 0.00 C ATOM 1748 CG ASN A 115 13.633 7.039 -9.951 1.00 0.00 C ATOM 1749 OD1 ASN A 115 13.608 7.850 -10.876 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.105 7.339 -8.746 1.00 0.00 N ATOM 0 H ASN A 115 11.409 5.712 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 115 11.338 6.324 -11.129 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.360 5.031 -9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.623 5.166 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.466 8.274 -8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.106 6.634 -8.009 1.00 0.00 H new ATOM 1757 N GLN A 116 11.090 3.250 -9.964 1.00 0.00 N ATOM 1758 CA GLN A 116 10.706 1.889 -10.319 1.00 0.00 C ATOM 1759 C GLN A 116 9.253 1.836 -10.780 1.00 0.00 C ATOM 1760 O GLN A 116 8.966 1.463 -11.917 1.00 0.00 O ATOM 1761 CB GLN A 116 10.910 0.951 -9.128 1.00 0.00 C ATOM 1762 CG GLN A 116 12.367 0.787 -8.726 1.00 0.00 C ATOM 1763 CD GLN A 116 12.598 -0.429 -7.851 1.00 0.00 C ATOM 1764 OE1 GLN A 116 12.103 -1.519 -8.142 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.352 -0.249 -6.773 1.00 0.00 N ATOM 0 H GLN A 116 11.267 3.393 -8.970 1.00 0.00 H new ATOM 0 HA GLN A 116 11.342 1.563 -11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.347 1.332 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.496 -0.028 -9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.981 0.706 -9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.696 1.680 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.742 0.672 -6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.542 -1.032 -6.147 1.00 0.00 H new ATOM 1774 N MET A 117 8.341 2.211 -9.889 1.00 0.00 N ATOM 1775 CA MET A 117 6.917 2.207 -10.205 1.00 0.00 C ATOM 1776 C MET A 117 6.660 2.857 -11.561 1.00 0.00 C ATOM 1777 O MET A 117 7.423 3.714 -12.004 1.00 0.00 O ATOM 1778 CB MET A 117 6.129 2.940 -9.118 1.00 0.00 C ATOM 1779 CG MET A 117 6.372 4.441 -9.098 1.00 0.00 C ATOM 1780 SD MET A 117 5.146 5.330 -8.121 1.00 0.00 S ATOM 1781 CE MET A 117 5.437 7.012 -8.662 1.00 0.00 C ATOM 0 H MET A 117 8.562 2.521 -8.943 1.00 0.00 H new ATOM 0 HA MET A 117 6.583 1.170 -10.249 1.00 0.00 H new ATOM 0 HB2 MET A 117 5.065 2.754 -9.265 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.394 2.524 -8.146 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.365 4.639 -8.695 1.00 0.00 H new ATOM 0 HG3 MET A 117 6.361 4.820 -10.120 1.00 0.00 H new ATOM 0 HE1 MET A 117 5.856 7.591 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 117 6.137 7.009 -9.498 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.495 7.460 -8.979 1.00 0.00 H new ATOM 1791 N ALA A 118 5.580 2.442 -12.216 1.00 0.00 N ATOM 1792 CA ALA A 118 5.222 2.984 -13.520 1.00 0.00 C ATOM 1793 C ALA A 118 4.158 4.070 -13.390 1.00 0.00 C ATOM 1794 O ALA A 118 3.384 4.082 -12.433 1.00 0.00 O ATOM 1795 CB ALA A 118 4.735 1.873 -14.438 1.00 0.00 C ATOM 0 H ALA A 118 4.938 1.732 -11.864 1.00 0.00 H new ATOM 0 HA ALA A 118 6.114 3.435 -13.955 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.471 2.293 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.526 1.133 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.859 1.396 -13.999 1.00 0.00 H new