USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Set 1.2: A 80 MET CE :methyl -169:sc= 0 (180deg=-0.24) USER MOD Set 2.1: A 41 CYS SG : rot 49:sc= -7.15! USER MOD Set 2.2: A 51 THR OG1 : rot 123:sc= 0.967 USER MOD Single : A 10 THR OG1 : rot -43:sc= 0.724 USER MOD Single : A 16 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.9!) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.118) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00305 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.18) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00642 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 SER OG : rot 60:sc= 0.909 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 165:sc= -3.54! USER MOD Single : A 50 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0.995 (180deg=0.823) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.469 K(o=-0.47,f=-2.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00577 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.134 USER MOD Single : A 70 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.17) USER MOD Single : A 78 TYR OH : rot 180:sc= -3.21! USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.351 -14.567 -4.578 1.00 0.00 N ATOM 104 CA THR A 10 0.492 -13.122 -4.521 1.00 0.00 C ATOM 105 C THR A 10 0.428 -12.524 -5.928 1.00 0.00 C ATOM 106 O THR A 10 0.811 -13.172 -6.900 1.00 0.00 O ATOM 107 CB THR A 10 1.795 -12.803 -3.784 1.00 0.00 C ATOM 108 OG1 THR A 10 2.710 -13.788 -4.256 1.00 0.00 O ATOM 109 CG2 THR A 10 1.698 -13.073 -2.281 1.00 0.00 C ATOM 0 HA THR A 10 -0.330 -12.666 -3.970 1.00 0.00 H new ATOM 0 HB THR A 10 2.060 -11.758 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.264 -14.660 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.648 -12.830 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.909 -12.456 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.467 -14.125 -2.115 1.00 0.00 H new ATOM 117 N VAL A 11 -0.059 -11.293 -5.991 1.00 0.00 N ATOM 118 CA VAL A 11 -0.178 -10.600 -7.262 1.00 0.00 C ATOM 119 C VAL A 11 0.830 -9.450 -7.308 1.00 0.00 C ATOM 120 O VAL A 11 1.240 -8.937 -6.268 1.00 0.00 O ATOM 121 CB VAL A 11 -1.621 -10.138 -7.473 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.569 -11.334 -7.582 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.062 -9.189 -6.358 1.00 0.00 C ATOM 0 H VAL A 11 -0.376 -10.758 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 11 0.058 -11.273 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.663 -9.590 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.588 -10.978 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.274 -11.956 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.521 -11.921 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.091 -8.876 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.996 -9.700 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.413 -8.313 -6.348 1.00 0.00 H new ATOM 133 N ARG A 12 1.201 -9.078 -8.524 1.00 0.00 N ATOM 134 CA ARG A 12 2.154 -7.998 -8.719 1.00 0.00 C ATOM 135 C ARG A 12 1.443 -6.645 -8.653 1.00 0.00 C ATOM 136 O ARG A 12 0.627 -6.326 -9.517 1.00 0.00 O ATOM 137 CB ARG A 12 2.865 -8.128 -10.068 1.00 0.00 C ATOM 138 CG ARG A 12 1.912 -7.812 -11.223 1.00 0.00 C ATOM 139 CD ARG A 12 2.376 -8.486 -12.516 1.00 0.00 C ATOM 140 NE ARG A 12 1.295 -8.439 -13.526 1.00 0.00 N ATOM 141 CZ ARG A 12 1.266 -9.199 -14.629 1.00 0.00 C ATOM 142 NH1 ARG A 12 2.257 -10.067 -14.872 1.00 0.00 N ATOM 143 NH2 ARG A 12 0.245 -9.089 -15.491 1.00 0.00 N ATOM 0 H ARG A 12 0.859 -9.505 -9.385 1.00 0.00 H new ATOM 0 HA ARG A 12 2.896 -8.062 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.718 -7.451 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.256 -9.139 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.907 -8.150 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.858 -6.733 -11.370 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.265 -7.985 -12.899 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.655 -9.521 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 12 0.525 -7.788 -13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.035 -10.150 -14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.234 -10.645 -15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.509 -8.427 -15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.222 -9.667 -16.331 1.00 0.00 H new ATOM 157 N VAL A 13 1.777 -5.887 -7.620 1.00 0.00 N ATOM 158 CA VAL A 13 1.181 -4.575 -7.430 1.00 0.00 C ATOM 159 C VAL A 13 2.214 -3.497 -7.762 1.00 0.00 C ATOM 160 O VAL A 13 3.401 -3.662 -7.483 1.00 0.00 O ATOM 161 CB VAL A 13 0.626 -4.454 -6.009 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.207 -3.014 -5.705 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.538 -5.422 -5.791 1.00 0.00 C ATOM 0 H VAL A 13 2.453 -6.156 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 13 0.338 -4.436 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 13 1.421 -4.725 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.184 -2.956 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.071 -2.356 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.565 -2.703 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.914 -5.316 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.336 -5.196 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.195 -6.445 -5.946 1.00 0.00 H new ATOM 173 N VAL A 14 1.726 -2.417 -8.353 1.00 0.00 N ATOM 174 CA VAL A 14 2.592 -1.312 -8.727 1.00 0.00 C ATOM 175 C VAL A 14 2.677 -0.320 -7.564 1.00 0.00 C ATOM 176 O VAL A 14 1.742 0.443 -7.326 1.00 0.00 O ATOM 177 CB VAL A 14 2.093 -0.671 -10.024 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.876 0.605 -10.341 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.164 -1.662 -11.187 1.00 0.00 C ATOM 0 H VAL A 14 0.741 -2.283 -8.582 1.00 0.00 H new ATOM 0 HA VAL A 14 3.603 -1.669 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 14 1.048 -0.396 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.502 1.041 -11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.752 1.320 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.933 0.365 -10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.804 -1.182 -12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.196 -1.982 -11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.543 -2.529 -10.964 1.00 0.00 H new ATOM 189 N ILE A 15 3.805 -0.365 -6.872 1.00 0.00 N ATOM 190 CA ILE A 15 4.024 0.520 -5.740 1.00 0.00 C ATOM 191 C ILE A 15 4.703 1.803 -6.225 1.00 0.00 C ATOM 192 O ILE A 15 5.904 1.810 -6.493 1.00 0.00 O ATOM 193 CB ILE A 15 4.795 -0.204 -4.635 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.053 -1.463 -4.183 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.092 0.737 -3.466 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.852 -1.106 -3.304 1.00 0.00 C ATOM 0 H ILE A 15 4.577 -1.000 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 15 3.073 0.811 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 15 5.754 -0.524 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.716 -2.024 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.733 -2.111 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.641 0.197 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.692 1.576 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.155 1.109 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.342 -2.019 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.195 -0.567 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.162 -0.478 -3.868 1.00 0.00 H new ATOM 208 N ASN A 16 3.906 2.856 -6.324 1.00 0.00 N ATOM 209 CA ASN A 16 4.415 4.141 -6.771 1.00 0.00 C ATOM 210 C ASN A 16 4.894 4.945 -5.561 1.00 0.00 C ATOM 211 O ASN A 16 4.131 5.179 -4.625 1.00 0.00 O ATOM 212 CB ASN A 16 3.324 4.951 -7.475 1.00 0.00 C ATOM 213 CG ASN A 16 3.047 4.398 -8.874 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.795 4.612 -9.814 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.932 3.677 -8.960 1.00 0.00 N ATOM 0 H ASN A 16 2.910 2.846 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 16 5.233 3.955 -7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.409 4.927 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.630 5.995 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.659 3.265 -9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.351 3.536 -8.134 1.00 0.00 H new ATOM 222 N PHE A 17 6.156 5.345 -5.618 1.00 0.00 N ATOM 223 CA PHE A 17 6.746 6.118 -4.538 1.00 0.00 C ATOM 224 C PHE A 17 7.742 7.145 -5.080 1.00 0.00 C ATOM 225 O PHE A 17 8.065 7.136 -6.267 1.00 0.00 O ATOM 226 CB PHE A 17 7.489 5.130 -3.637 1.00 0.00 C ATOM 227 CG PHE A 17 8.810 4.627 -4.221 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.954 5.338 -4.030 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.842 3.468 -4.932 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.180 4.871 -4.573 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.068 3.000 -5.475 1.00 0.00 C ATOM 232 CZ PHE A 17 11.211 3.712 -5.284 1.00 0.00 C ATOM 0 H PHE A 17 6.786 5.148 -6.395 1.00 0.00 H new ATOM 0 HA PHE A 17 5.968 6.657 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.686 5.607 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.842 4.275 -3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.930 6.258 -3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.934 2.903 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.088 5.436 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.093 2.079 -6.039 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.144 3.357 -5.697 1.00 0.00 H new ATOM 242 N LYS A 18 8.201 8.006 -4.184 1.00 0.00 N ATOM 243 CA LYS A 18 9.153 9.038 -4.556 1.00 0.00 C ATOM 244 C LYS A 18 8.447 10.095 -5.408 1.00 0.00 C ATOM 245 O LYS A 18 9.087 11.005 -5.932 1.00 0.00 O ATOM 246 CB LYS A 18 10.376 8.418 -5.236 1.00 0.00 C ATOM 247 CG LYS A 18 11.566 8.362 -4.276 1.00 0.00 C ATOM 248 CD LYS A 18 12.890 8.396 -5.042 1.00 0.00 C ATOM 249 CE LYS A 18 13.906 7.432 -4.425 1.00 0.00 C ATOM 250 NZ LYS A 18 15.144 8.151 -4.053 1.00 0.00 N ATOM 0 H LYS A 18 7.931 8.010 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 18 9.532 9.544 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.134 7.413 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.642 9.002 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.520 9.203 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.512 7.453 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.718 8.130 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.293 9.409 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.476 6.957 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.139 6.638 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.822 7.482 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.562 8.584 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.919 8.893 -3.360 1.00 0.00 H new ATOM 264 N LYS A 19 7.136 9.940 -5.519 1.00 0.00 N ATOM 265 CA LYS A 19 6.335 10.869 -6.297 1.00 0.00 C ATOM 266 C LYS A 19 6.810 10.850 -7.752 1.00 0.00 C ATOM 267 O LYS A 19 6.748 11.866 -8.442 1.00 0.00 O ATOM 268 CB LYS A 19 6.359 12.260 -5.661 1.00 0.00 C ATOM 269 CG LYS A 19 5.190 12.440 -4.690 1.00 0.00 C ATOM 270 CD LYS A 19 4.728 13.897 -4.652 1.00 0.00 C ATOM 271 CE LYS A 19 3.231 13.990 -4.348 1.00 0.00 C ATOM 272 NZ LYS A 19 2.949 15.156 -3.481 1.00 0.00 N ATOM 0 H LYS A 19 6.608 9.184 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 19 5.289 10.562 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.301 12.406 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.310 13.021 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.361 11.800 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.490 12.124 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.291 14.441 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.939 14.374 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.670 14.077 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.896 13.076 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.929 15.204 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.470 15.057 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.250 16.027 -3.962 1.00 0.00 H new ATOM 286 N THR A 20 7.272 9.682 -8.174 1.00 0.00 N ATOM 287 CA THR A 20 7.757 9.517 -9.534 1.00 0.00 C ATOM 288 C THR A 20 8.197 8.071 -9.772 1.00 0.00 C ATOM 289 O THR A 20 7.837 7.467 -10.781 1.00 0.00 O ATOM 290 CB THR A 20 8.873 10.538 -9.765 1.00 0.00 C ATOM 291 OG1 THR A 20 9.768 9.878 -10.657 1.00 0.00 O ATOM 292 CG2 THR A 20 9.712 10.783 -8.509 1.00 0.00 C ATOM 0 H THR A 20 7.321 8.841 -7.599 1.00 0.00 H new ATOM 0 HA THR A 20 6.968 9.707 -10.261 1.00 0.00 H new ATOM 0 HB THR A 20 8.439 11.480 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.522 10.470 -10.862 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.489 11.515 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.072 11.161 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.173 9.848 -8.192 1.00 0.00 H new ATOM 300 N GLN A 21 8.968 7.558 -8.825 1.00 0.00 N ATOM 301 CA GLN A 21 9.461 6.194 -8.918 1.00 0.00 C ATOM 302 C GLN A 21 8.350 5.203 -8.564 1.00 0.00 C ATOM 303 O GLN A 21 7.355 5.576 -7.945 1.00 0.00 O ATOM 304 CB GLN A 21 10.684 5.991 -8.022 1.00 0.00 C ATOM 305 CG GLN A 21 11.731 7.078 -8.269 1.00 0.00 C ATOM 306 CD GLN A 21 13.132 6.584 -7.901 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.310 5.547 -7.284 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.113 7.383 -8.312 1.00 0.00 N ATOM 0 H GLN A 21 9.264 8.062 -7.989 1.00 0.00 H new ATOM 0 HA GLN A 21 9.771 6.009 -9.946 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.379 6.006 -6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.120 5.011 -8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.710 7.376 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.487 7.963 -7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.894 8.237 -8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.084 7.141 -8.115 1.00 0.00 H new ATOM 317 N LYS A 22 8.558 3.960 -8.971 1.00 0.00 N ATOM 318 CA LYS A 22 7.587 2.912 -8.704 1.00 0.00 C ATOM 319 C LYS A 22 8.313 1.572 -8.573 1.00 0.00 C ATOM 320 O LYS A 22 9.378 1.379 -9.156 1.00 0.00 O ATOM 321 CB LYS A 22 6.489 2.916 -9.770 1.00 0.00 C ATOM 322 CG LYS A 22 7.090 2.955 -11.176 1.00 0.00 C ATOM 323 CD LYS A 22 6.397 1.948 -12.097 1.00 0.00 C ATOM 324 CE LYS A 22 6.818 0.516 -11.758 1.00 0.00 C ATOM 325 NZ LYS A 22 8.196 0.255 -12.231 1.00 0.00 N ATOM 0 H LYS A 22 9.385 3.654 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 22 7.080 3.094 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.868 2.027 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.839 3.779 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.992 3.959 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.156 2.734 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.316 2.046 -12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.646 2.168 -13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.761 0.359 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.129 -0.191 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.388 -0.767 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.297 0.593 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.873 0.755 -11.621 1.00 0.00 H new ATOM 339 N THR A 23 7.706 0.680 -7.804 1.00 0.00 N ATOM 340 CA THR A 23 8.280 -0.637 -7.589 1.00 0.00 C ATOM 341 C THR A 23 7.183 -1.703 -7.580 1.00 0.00 C ATOM 342 O THR A 23 6.059 -1.439 -7.154 1.00 0.00 O ATOM 343 CB THR A 23 9.094 -0.592 -6.294 1.00 0.00 C ATOM 344 OG1 THR A 23 9.499 -1.943 -6.091 1.00 0.00 O ATOM 345 CG2 THR A 23 8.231 -0.275 -5.071 1.00 0.00 C ATOM 0 H THR A 23 6.822 0.844 -7.322 1.00 0.00 H new ATOM 0 HA THR A 23 8.951 -0.913 -8.403 1.00 0.00 H new ATOM 0 HB THR A 23 9.882 0.156 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.034 -2.005 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.857 -0.255 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.756 0.697 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.464 -1.041 -4.959 1.00 0.00 H new ATOM 353 N ILE A 24 7.547 -2.885 -8.055 1.00 0.00 N ATOM 354 CA ILE A 24 6.607 -3.992 -8.107 1.00 0.00 C ATOM 355 C ILE A 24 6.873 -4.937 -6.934 1.00 0.00 C ATOM 356 O ILE A 24 8.025 -5.194 -6.587 1.00 0.00 O ATOM 357 CB ILE A 24 6.663 -4.678 -9.474 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.154 -3.747 -10.576 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.905 -6.007 -9.451 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.629 -3.634 -10.538 1.00 0.00 C ATOM 0 H ILE A 24 8.480 -3.100 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 24 5.585 -3.629 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 24 7.705 -4.905 -9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.598 -2.759 -10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.470 -4.123 -11.549 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.960 -6.474 -10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.353 -6.668 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.861 -5.826 -9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.294 -2.966 -11.332 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.187 -4.620 -10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.318 -3.235 -9.573 1.00 0.00 H new ATOM 372 N VAL A 25 5.788 -5.429 -6.353 1.00 0.00 N ATOM 373 CA VAL A 25 5.889 -6.339 -5.226 1.00 0.00 C ATOM 374 C VAL A 25 4.799 -7.407 -5.338 1.00 0.00 C ATOM 375 O VAL A 25 3.753 -7.170 -5.940 1.00 0.00 O ATOM 376 CB VAL A 25 5.826 -5.556 -3.913 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.939 -4.509 -3.845 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.452 -4.909 -3.727 1.00 0.00 C ATOM 0 H VAL A 25 4.834 -5.214 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 25 6.850 -6.853 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 25 5.979 -6.260 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.871 -3.967 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.908 -5.003 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.832 -3.810 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.433 -4.359 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.258 -4.224 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.685 -5.683 -3.710 1.00 0.00 H new ATOM 388 N ARG A 26 5.082 -8.560 -4.750 1.00 0.00 N ATOM 389 CA ARG A 26 4.139 -9.665 -4.777 1.00 0.00 C ATOM 390 C ARG A 26 3.526 -9.873 -3.390 1.00 0.00 C ATOM 391 O ARG A 26 4.202 -10.331 -2.471 1.00 0.00 O ATOM 392 CB ARG A 26 4.820 -10.960 -5.225 1.00 0.00 C ATOM 393 CG ARG A 26 4.221 -11.467 -6.539 1.00 0.00 C ATOM 394 CD ARG A 26 5.270 -12.211 -7.368 1.00 0.00 C ATOM 395 NE ARG A 26 4.631 -13.310 -8.125 1.00 0.00 N ATOM 396 CZ ARG A 26 5.303 -14.206 -8.861 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.639 -14.138 -8.943 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.640 -15.169 -9.514 1.00 0.00 N ATOM 0 H ARG A 26 5.951 -8.753 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 26 3.355 -9.414 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.889 -10.789 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.708 -11.721 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.382 -12.130 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.828 -10.627 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.758 -11.521 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.045 -12.611 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 26 3.615 -13.391 -8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.144 -13.405 -8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.151 -14.820 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.623 -15.221 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.152 -15.851 -10.074 1.00 0.00 H new ATOM 412 N VAL A 27 2.251 -9.526 -3.284 1.00 0.00 N ATOM 413 CA VAL A 27 1.539 -9.670 -2.026 1.00 0.00 C ATOM 414 C VAL A 27 0.173 -10.307 -2.287 1.00 0.00 C ATOM 415 O VAL A 27 -0.220 -10.491 -3.438 1.00 0.00 O ATOM 416 CB VAL A 27 1.442 -8.314 -1.323 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.724 -8.006 -0.546 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.125 -7.200 -2.322 1.00 0.00 C ATOM 0 H VAL A 27 1.693 -9.146 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 27 2.083 -10.333 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 27 0.621 -8.366 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.629 -7.037 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.888 -8.778 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.570 -7.983 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.062 -6.247 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.914 -7.149 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.173 -7.409 -2.810 1.00 0.00 H new ATOM 428 N SER A 28 -0.514 -10.625 -1.200 1.00 0.00 N ATOM 429 CA SER A 28 -1.828 -11.238 -1.297 1.00 0.00 C ATOM 430 C SER A 28 -2.896 -10.158 -1.483 1.00 0.00 C ATOM 431 O SER A 28 -2.938 -9.186 -0.731 1.00 0.00 O ATOM 432 CB SER A 28 -2.135 -12.081 -0.058 1.00 0.00 C ATOM 433 OG SER A 28 -2.450 -13.430 -0.395 1.00 0.00 O ATOM 0 H SER A 28 -0.185 -10.470 -0.247 1.00 0.00 H new ATOM 0 HA SER A 28 -1.834 -11.899 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.276 -12.066 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.971 -11.638 0.484 1.00 0.00 H new ATOM 0 HG SER A 28 -2.638 -13.936 0.423 1.00 0.00 H new ATOM 439 N PRO A 29 -3.755 -10.372 -2.515 1.00 0.00 N ATOM 440 CA PRO A 29 -4.820 -9.429 -2.809 1.00 0.00 C ATOM 441 C PRO A 29 -5.957 -9.551 -1.792 1.00 0.00 C ATOM 442 O PRO A 29 -6.909 -8.773 -1.824 1.00 0.00 O ATOM 443 CB PRO A 29 -5.255 -9.756 -4.228 1.00 0.00 C ATOM 444 CG PRO A 29 -4.744 -11.161 -4.507 1.00 0.00 C ATOM 445 CD PRO A 29 -3.735 -11.513 -3.426 1.00 0.00 C ATOM 0 HA PRO A 29 -4.495 -8.391 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.340 -9.708 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.840 -9.041 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.568 -11.874 -4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.281 -11.210 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.010 -12.434 -2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.741 -11.667 -3.847 1.00 0.00 H new ATOM 453 N HIS A 30 -5.820 -10.534 -0.915 1.00 0.00 N ATOM 454 CA HIS A 30 -6.824 -10.768 0.110 1.00 0.00 C ATOM 455 C HIS A 30 -6.527 -9.892 1.328 1.00 0.00 C ATOM 456 O HIS A 30 -7.325 -9.026 1.684 1.00 0.00 O ATOM 457 CB HIS A 30 -6.910 -12.256 0.456 1.00 0.00 C ATOM 458 CG HIS A 30 -7.929 -13.017 -0.357 1.00 0.00 C ATOM 459 ND1 HIS A 30 -9.282 -12.728 -0.325 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.779 -14.059 -1.224 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.908 -13.564 -1.139 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.975 -14.389 -1.695 1.00 0.00 N ATOM 0 H HIS A 30 -5.029 -11.178 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.807 -10.485 -0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.930 -12.710 0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.153 -12.359 1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.845 -14.535 -1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.971 -13.588 -1.329 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.165 -15.136 -2.363 1.00 0.00 H new ATOM 470 N ALA A 31 -5.377 -10.146 1.935 1.00 0.00 N ATOM 471 CA ALA A 31 -4.965 -9.392 3.106 1.00 0.00 C ATOM 472 C ALA A 31 -5.282 -7.911 2.890 1.00 0.00 C ATOM 473 O ALA A 31 -5.371 -7.450 1.753 1.00 0.00 O ATOM 474 CB ALA A 31 -3.479 -9.637 3.375 1.00 0.00 C ATOM 0 H ALA A 31 -4.717 -10.864 1.637 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.514 -9.722 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.170 -9.071 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.311 -10.700 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.895 -9.315 2.513 1.00 0.00 H new ATOM 480 N SER A 32 -5.443 -7.205 4.000 1.00 0.00 N ATOM 481 CA SER A 32 -5.748 -5.785 3.947 1.00 0.00 C ATOM 482 C SER A 32 -4.454 -4.975 3.848 1.00 0.00 C ATOM 483 O SER A 32 -3.423 -5.379 4.383 1.00 0.00 O ATOM 484 CB SER A 32 -6.556 -5.349 5.171 1.00 0.00 C ATOM 485 OG SER A 32 -7.127 -6.459 5.857 1.00 0.00 O ATOM 0 H SER A 32 -5.368 -7.590 4.942 1.00 0.00 H new ATOM 0 HA SER A 32 -6.354 -5.598 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.911 -4.795 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.349 -4.669 4.859 1.00 0.00 H new ATOM 0 HG SER A 32 -7.633 -6.139 6.633 1.00 0.00 H new ATOM 491 N LEU A 33 -4.551 -3.847 3.160 1.00 0.00 N ATOM 492 CA LEU A 33 -3.400 -2.977 2.985 1.00 0.00 C ATOM 493 C LEU A 33 -2.756 -2.709 4.346 1.00 0.00 C ATOM 494 O LEU A 33 -1.549 -2.491 4.434 1.00 0.00 O ATOM 495 CB LEU A 33 -3.800 -1.706 2.232 1.00 0.00 C ATOM 496 CG LEU A 33 -4.207 -1.893 0.769 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.120 -0.756 0.305 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.977 -2.043 -0.128 1.00 0.00 C ATOM 0 H LEU A 33 -5.408 -3.515 2.717 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.645 -3.463 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.630 -1.239 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.964 -1.007 2.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.778 -2.818 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.395 -0.913 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.021 -0.739 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.596 0.195 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.295 -2.175 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.358 -1.149 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.400 -2.912 0.188 1.00 0.00 H new ATOM 510 N GLN A 34 -3.591 -2.734 5.375 1.00 0.00 N ATOM 511 CA GLN A 34 -3.119 -2.496 6.728 1.00 0.00 C ATOM 512 C GLN A 34 -1.995 -3.475 7.078 1.00 0.00 C ATOM 513 O GLN A 34 -1.062 -3.122 7.797 1.00 0.00 O ATOM 514 CB GLN A 34 -4.266 -2.596 7.735 1.00 0.00 C ATOM 515 CG GLN A 34 -3.737 -2.878 9.143 1.00 0.00 C ATOM 516 CD GLN A 34 -4.827 -2.654 10.193 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.973 -2.371 9.886 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.407 -2.795 11.447 1.00 0.00 N ATOM 0 H GLN A 34 -4.592 -2.916 5.298 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.721 -1.482 6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.836 -1.667 7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.951 -3.389 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.377 -3.905 9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.886 -2.229 9.352 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.433 -3.033 11.635 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.059 -2.665 12.221 1.00 0.00 H new ATOM 527 N GLU A 35 -2.123 -4.684 6.552 1.00 0.00 N ATOM 528 CA GLU A 35 -1.130 -5.716 6.800 1.00 0.00 C ATOM 529 C GLU A 35 -0.042 -5.674 5.725 1.00 0.00 C ATOM 530 O GLU A 35 1.072 -6.146 5.947 1.00 0.00 O ATOM 531 CB GLU A 35 -1.782 -7.099 6.867 1.00 0.00 C ATOM 532 CG GLU A 35 -2.131 -7.471 8.310 1.00 0.00 C ATOM 533 CD GLU A 35 -0.872 -7.824 9.105 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.142 -6.874 9.461 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.669 -9.035 9.338 1.00 0.00 O ATOM 0 H GLU A 35 -2.899 -4.972 5.955 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.666 -5.522 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.685 -7.109 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.106 -7.845 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.647 -6.639 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.818 -8.317 8.315 1.00 0.00 H new ATOM 542 N LEU A 36 -0.403 -5.106 4.584 1.00 0.00 N ATOM 543 CA LEU A 36 0.528 -4.997 3.475 1.00 0.00 C ATOM 544 C LEU A 36 1.208 -3.627 3.518 1.00 0.00 C ATOM 545 O LEU A 36 1.901 -3.243 2.577 1.00 0.00 O ATOM 546 CB LEU A 36 -0.179 -5.291 2.150 1.00 0.00 C ATOM 547 CG LEU A 36 -0.803 -6.681 2.017 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.742 -6.748 0.811 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.278 -7.764 1.962 1.00 0.00 C ATOM 0 H LEU A 36 -1.328 -4.716 4.404 1.00 0.00 H new ATOM 0 HA LEU A 36 1.314 -5.747 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.963 -4.547 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.539 -5.158 1.341 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.406 -6.871 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.172 -7.747 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.541 -6.017 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.183 -6.528 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.192 -8.743 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.926 -7.588 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.871 -7.733 2.876 1.00 0.00 H new ATOM 561 N ALA A 37 0.986 -2.926 4.621 1.00 0.00 N ATOM 562 CA ALA A 37 1.568 -1.607 4.799 1.00 0.00 C ATOM 563 C ALA A 37 3.086 -1.739 4.939 1.00 0.00 C ATOM 564 O ALA A 37 3.839 -1.057 4.245 1.00 0.00 O ATOM 565 CB ALA A 37 0.928 -0.926 6.010 1.00 0.00 C ATOM 0 H ALA A 37 0.411 -3.247 5.400 1.00 0.00 H new ATOM 0 HA ALA A 37 1.370 -0.980 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.365 0.064 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.146 -0.830 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.108 -1.526 6.902 1.00 0.00 H new ATOM 571 N PRO A 38 3.501 -2.644 5.865 1.00 0.00 N ATOM 572 CA PRO A 38 4.916 -2.874 6.105 1.00 0.00 C ATOM 573 C PRO A 38 5.537 -3.695 4.974 1.00 0.00 C ATOM 574 O PRO A 38 6.632 -3.385 4.505 1.00 0.00 O ATOM 575 CB PRO A 38 4.977 -3.576 7.452 1.00 0.00 C ATOM 576 CG PRO A 38 3.582 -4.128 7.698 1.00 0.00 C ATOM 577 CD PRO A 38 2.638 -3.469 6.706 1.00 0.00 C ATOM 0 HA PRO A 38 5.495 -1.951 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.717 -4.376 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.267 -2.882 8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.572 -5.211 7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.265 -3.923 8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.103 -4.212 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.887 -2.865 7.215 1.00 0.00 H new ATOM 585 N ILE A 39 4.812 -4.727 4.567 1.00 0.00 N ATOM 586 CA ILE A 39 5.278 -5.595 3.499 1.00 0.00 C ATOM 587 C ILE A 39 5.574 -4.753 2.256 1.00 0.00 C ATOM 588 O ILE A 39 6.393 -5.138 1.422 1.00 0.00 O ATOM 589 CB ILE A 39 4.278 -6.726 3.252 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.310 -7.745 4.393 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.516 -7.381 1.891 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.911 -7.964 4.972 1.00 0.00 C ATOM 0 H ILE A 39 3.905 -4.981 4.958 1.00 0.00 H new ATOM 0 HA ILE A 39 6.210 -6.082 3.784 1.00 0.00 H new ATOM 0 HB ILE A 39 3.276 -6.298 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.709 -8.692 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.982 -7.397 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.792 -8.182 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.402 -6.636 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.525 -7.793 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.962 -8.693 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.525 -7.020 5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.248 -8.335 4.191 1.00 0.00 H new ATOM 604 N ILE A 40 4.893 -3.620 2.171 1.00 0.00 N ATOM 605 CA ILE A 40 5.072 -2.721 1.044 1.00 0.00 C ATOM 606 C ILE A 40 6.145 -1.686 1.389 1.00 0.00 C ATOM 607 O ILE A 40 7.186 -1.624 0.737 1.00 0.00 O ATOM 608 CB ILE A 40 3.734 -2.106 0.631 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.863 -3.129 -0.102 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.946 -0.836 -0.196 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.433 -2.611 -0.270 1.00 0.00 C ATOM 0 H ILE A 40 4.216 -3.304 2.865 1.00 0.00 H new ATOM 0 HA ILE A 40 5.426 -3.270 0.171 1.00 0.00 H new ATOM 0 HB ILE A 40 3.198 -1.816 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.293 -3.344 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.851 -4.067 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.979 -0.419 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.499 -0.105 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.512 -1.078 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.835 -3.357 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.998 -2.420 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.446 -1.686 -0.847 1.00 0.00 H new ATOM 623 N CYS A 41 5.853 -0.898 2.414 1.00 0.00 N ATOM 624 CA CYS A 41 6.780 0.131 2.854 1.00 0.00 C ATOM 625 C CYS A 41 8.168 -0.497 2.988 1.00 0.00 C ATOM 626 O CYS A 41 9.159 0.078 2.541 1.00 0.00 O ATOM 627 CB CYS A 41 6.321 0.786 4.158 1.00 0.00 C ATOM 628 SG CYS A 41 5.489 2.376 3.802 1.00 0.00 S ATOM 0 H CYS A 41 4.988 -0.952 2.952 1.00 0.00 H new ATOM 0 HA CYS A 41 6.815 0.932 2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.640 0.121 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.177 0.953 4.812 1.00 0.00 H new ATOM 0 HG CYS A 41 4.605 2.203 2.865 1.00 0.00 H new ATOM 634 N SER A 42 8.195 -1.669 3.604 1.00 0.00 N ATOM 635 CA SER A 42 9.446 -2.382 3.803 1.00 0.00 C ATOM 636 C SER A 42 10.164 -2.560 2.464 1.00 0.00 C ATOM 637 O SER A 42 11.375 -2.361 2.374 1.00 0.00 O ATOM 638 CB SER A 42 9.206 -3.742 4.462 1.00 0.00 C ATOM 639 OG SER A 42 8.658 -3.611 5.771 1.00 0.00 O ATOM 0 H SER A 42 7.371 -2.143 3.972 1.00 0.00 H new ATOM 0 HA SER A 42 10.075 -1.792 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.529 -4.331 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.147 -4.290 4.516 1.00 0.00 H new ATOM 0 HG SER A 42 7.798 -3.143 5.720 1.00 0.00 H new ATOM 645 N LYS A 43 9.388 -2.935 1.457 1.00 0.00 N ATOM 646 CA LYS A 43 9.936 -3.142 0.128 1.00 0.00 C ATOM 647 C LYS A 43 10.615 -1.856 -0.346 1.00 0.00 C ATOM 648 O LYS A 43 11.670 -1.903 -0.977 1.00 0.00 O ATOM 649 CB LYS A 43 8.852 -3.652 -0.824 1.00 0.00 C ATOM 650 CG LYS A 43 8.453 -5.089 -0.482 1.00 0.00 C ATOM 651 CD LYS A 43 9.169 -6.088 -1.393 1.00 0.00 C ATOM 652 CE LYS A 43 8.620 -7.502 -1.194 1.00 0.00 C ATOM 653 NZ LYS A 43 9.534 -8.502 -1.791 1.00 0.00 N ATOM 0 H LYS A 43 8.385 -3.101 1.535 1.00 0.00 H new ATOM 0 HA LYS A 43 10.702 -3.917 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.977 -3.004 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.214 -3.606 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.698 -5.300 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.374 -5.205 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.046 -5.789 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.238 -6.076 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.496 -7.704 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.634 -7.583 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.146 -9.456 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.632 -8.318 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.467 -8.435 -1.336 1.00 0.00 H new ATOM 667 N CYS A 44 9.982 -0.737 -0.024 1.00 0.00 N ATOM 668 CA CYS A 44 10.512 0.560 -0.409 1.00 0.00 C ATOM 669 C CYS A 44 11.267 1.144 0.786 1.00 0.00 C ATOM 670 O CYS A 44 11.538 2.343 0.828 1.00 0.00 O ATOM 671 CB CYS A 44 9.409 1.499 -0.901 1.00 0.00 C ATOM 672 SG CYS A 44 9.934 2.326 -2.446 1.00 0.00 S ATOM 0 H CYS A 44 9.107 -0.702 0.499 1.00 0.00 H new ATOM 0 HA CYS A 44 11.197 0.441 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.491 0.936 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.187 2.244 -0.137 1.00 0.00 H new ATOM 0 HG CYS A 44 8.902 2.869 -3.020 1.00 0.00 H new ATOM 678 N GLU A 45 11.586 0.269 1.729 1.00 0.00 N ATOM 679 CA GLU A 45 12.305 0.683 2.922 1.00 0.00 C ATOM 680 C GLU A 45 11.703 1.974 3.483 1.00 0.00 C ATOM 681 O GLU A 45 12.428 2.922 3.782 1.00 0.00 O ATOM 682 CB GLU A 45 13.797 0.856 2.631 1.00 0.00 C ATOM 683 CG GLU A 45 14.479 -0.501 2.439 1.00 0.00 C ATOM 684 CD GLU A 45 15.998 -0.343 2.345 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.627 -0.259 3.422 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.495 -0.310 1.199 1.00 0.00 O ATOM 0 H GLU A 45 11.360 -0.725 1.691 1.00 0.00 H new ATOM 0 HA GLU A 45 12.203 -0.100 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.929 1.463 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.272 1.393 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.229 -1.159 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.103 -0.976 1.533 1.00 0.00 H new ATOM 693 N PHE A 46 10.385 1.968 3.609 1.00 0.00 N ATOM 694 CA PHE A 46 9.677 3.126 4.129 1.00 0.00 C ATOM 695 C PHE A 46 9.248 2.900 5.580 1.00 0.00 C ATOM 696 O PHE A 46 9.583 1.878 6.179 1.00 0.00 O ATOM 697 CB PHE A 46 8.430 3.314 3.264 1.00 0.00 C ATOM 698 CG PHE A 46 8.699 4.004 1.925 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.978 4.234 1.524 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.660 4.388 1.137 1.00 0.00 C ATOM 701 CE1 PHE A 46 10.228 4.875 0.282 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.910 5.029 -0.106 1.00 0.00 C ATOM 703 CZ PHE A 46 9.189 5.259 -0.507 1.00 0.00 C ATOM 0 H PHE A 46 9.788 1.179 3.360 1.00 0.00 H new ATOM 0 HA PHE A 46 10.326 4.001 4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.981 2.339 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.698 3.899 3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.803 3.929 2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.644 4.206 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.244 5.058 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.085 5.334 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.380 5.746 -1.452 1.00 0.00 H new ATOM 713 N ASP A 47 8.513 3.870 6.104 1.00 0.00 N ATOM 714 CA ASP A 47 8.034 3.789 7.473 1.00 0.00 C ATOM 715 C ASP A 47 6.506 3.702 7.471 1.00 0.00 C ATOM 716 O ASP A 47 5.825 4.682 7.173 1.00 0.00 O ATOM 717 CB ASP A 47 8.435 5.032 8.271 1.00 0.00 C ATOM 718 CG ASP A 47 7.642 5.257 9.560 1.00 0.00 C ATOM 719 OD1 ASP A 47 6.413 5.453 9.442 1.00 0.00 O ATOM 720 OD2 ASP A 47 8.282 5.228 10.633 1.00 0.00 O ATOM 0 H ASP A 47 8.238 4.716 5.605 1.00 0.00 H new ATOM 0 HA ASP A 47 8.477 2.906 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.493 4.959 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.318 5.908 7.633 1.00 0.00 H new ATOM 725 N PRO A 48 5.999 2.488 7.815 1.00 0.00 N ATOM 726 CA PRO A 48 4.565 2.261 7.855 1.00 0.00 C ATOM 727 C PRO A 48 3.940 2.911 9.092 1.00 0.00 C ATOM 728 O PRO A 48 2.729 2.838 9.291 1.00 0.00 O ATOM 729 CB PRO A 48 4.406 0.749 7.835 1.00 0.00 C ATOM 730 CG PRO A 48 5.753 0.182 8.252 1.00 0.00 C ATOM 731 CD PRO A 48 6.775 1.305 8.174 1.00 0.00 C ATOM 0 HA PRO A 48 4.044 2.715 7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.620 0.430 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.126 0.399 6.842 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.702 -0.218 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.040 -0.641 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.287 1.441 9.127 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.541 1.092 7.428 1.00 0.00 H new ATOM 739 N LEU A 49 4.796 3.531 9.890 1.00 0.00 N ATOM 740 CA LEU A 49 4.344 4.194 11.102 1.00 0.00 C ATOM 741 C LEU A 49 3.555 5.450 10.727 1.00 0.00 C ATOM 742 O LEU A 49 2.574 5.791 11.386 1.00 0.00 O ATOM 743 CB LEU A 49 5.525 4.466 12.036 1.00 0.00 C ATOM 744 CG LEU A 49 5.602 3.592 13.290 1.00 0.00 C ATOM 745 CD1 LEU A 49 6.914 3.827 14.042 1.00 0.00 C ATOM 746 CD2 LEU A 49 4.381 3.810 14.186 1.00 0.00 C ATOM 0 H LEU A 49 5.800 3.589 9.721 1.00 0.00 H new ATOM 0 HA LEU A 49 3.668 3.547 11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.448 4.337 11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.484 5.510 12.347 1.00 0.00 H new ATOM 0 HG LEU A 49 5.591 2.547 12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.943 3.194 14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.754 3.582 13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.980 4.873 14.341 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.461 3.177 15.070 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.336 4.855 14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.476 3.553 13.636 1.00 0.00 H new ATOM 758 N HIS A 50 4.013 6.104 9.669 1.00 0.00 N ATOM 759 CA HIS A 50 3.362 7.315 9.199 1.00 0.00 C ATOM 760 C HIS A 50 3.314 7.311 7.670 1.00 0.00 C ATOM 761 O HIS A 50 3.831 8.223 7.026 1.00 0.00 O ATOM 762 CB HIS A 50 4.050 8.558 9.767 1.00 0.00 C ATOM 763 CG HIS A 50 4.652 8.354 11.137 1.00 0.00 C ATOM 764 ND1 HIS A 50 3.944 8.565 12.307 1.00 0.00 N ATOM 765 CD2 HIS A 50 5.902 7.956 11.511 1.00 0.00 C ATOM 766 CE1 HIS A 50 4.741 8.303 13.332 1.00 0.00 C ATOM 767 NE2 HIS A 50 5.955 7.926 12.836 1.00 0.00 N ATOM 0 H HIS A 50 4.827 5.818 9.124 1.00 0.00 H new ATOM 0 HA HIS A 50 2.334 7.343 9.561 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.835 8.872 9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.326 9.371 9.817 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.712 7.707 10.841 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.476 8.375 14.377 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.769 7.664 13.392 1.00 0.00 H new ATOM 775 N THR A 51 2.688 6.274 7.132 1.00 0.00 N ATOM 776 CA THR A 51 2.565 6.140 5.690 1.00 0.00 C ATOM 777 C THR A 51 1.092 6.081 5.284 1.00 0.00 C ATOM 778 O THR A 51 0.277 5.472 5.975 1.00 0.00 O ATOM 779 CB THR A 51 3.364 4.907 5.261 1.00 0.00 C ATOM 780 OG1 THR A 51 4.706 5.378 5.168 1.00 0.00 O ATOM 781 CG2 THR A 51 3.027 4.457 3.839 1.00 0.00 C ATOM 0 H THR A 51 2.261 5.519 7.669 1.00 0.00 H new ATOM 0 HA THR A 51 2.977 7.008 5.175 1.00 0.00 H new ATOM 0 HB THR A 51 3.171 4.089 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.281 4.847 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.621 3.579 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.968 4.208 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.252 5.262 3.140 1.00 0.00 H new ATOM 789 N LEU A 52 0.794 6.721 4.163 1.00 0.00 N ATOM 790 CA LEU A 52 -0.567 6.750 3.655 1.00 0.00 C ATOM 791 C LEU A 52 -0.631 5.975 2.337 1.00 0.00 C ATOM 792 O LEU A 52 0.386 5.792 1.671 1.00 0.00 O ATOM 793 CB LEU A 52 -1.069 8.191 3.547 1.00 0.00 C ATOM 794 CG LEU A 52 -2.078 8.631 4.609 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.656 10.009 4.278 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.173 7.579 4.795 1.00 0.00 C ATOM 0 H LEU A 52 1.473 7.224 3.592 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.244 6.254 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.209 8.859 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.524 8.324 2.565 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.555 8.721 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.371 10.298 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.850 10.741 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.160 9.970 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.877 7.917 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.700 7.432 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.723 6.637 5.110 1.00 0.00 H new ATOM 808 N LEU A 53 -1.837 5.541 2.001 1.00 0.00 N ATOM 809 CA LEU A 53 -2.048 4.791 0.775 1.00 0.00 C ATOM 810 C LEU A 53 -3.070 5.523 -0.097 1.00 0.00 C ATOM 811 O LEU A 53 -4.275 5.405 0.121 1.00 0.00 O ATOM 812 CB LEU A 53 -2.433 3.344 1.091 1.00 0.00 C ATOM 813 CG LEU A 53 -1.408 2.536 1.889 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.982 1.181 2.306 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.099 2.389 1.110 1.00 0.00 C ATOM 0 H LEU A 53 -2.678 5.695 2.557 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.123 4.732 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.371 3.351 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.622 2.826 0.151 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.179 3.083 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.233 0.627 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.865 1.335 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.258 0.614 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.612 1.811 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.292 1.875 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.316 3.376 0.907 1.00 0.00 H new ATOM 827 N LEU A 54 -2.552 6.263 -1.066 1.00 0.00 N ATOM 828 CA LEU A 54 -3.405 7.014 -1.972 1.00 0.00 C ATOM 829 C LEU A 54 -3.645 6.191 -3.239 1.00 0.00 C ATOM 830 O LEU A 54 -2.938 5.218 -3.495 1.00 0.00 O ATOM 831 CB LEU A 54 -2.812 8.399 -2.241 1.00 0.00 C ATOM 832 CG LEU A 54 -2.544 9.265 -1.008 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.848 9.605 -0.284 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.529 8.597 -0.079 1.00 0.00 C ATOM 0 H LEU A 54 -1.552 6.359 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.380 7.193 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.874 8.272 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.490 8.941 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.105 10.206 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.630 10.221 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.507 10.152 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.338 8.685 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.357 9.233 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.916 7.632 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.590 8.449 -0.612 1.00 0.00 H new ATOM 846 N LYS A 55 -4.646 6.612 -3.998 1.00 0.00 N ATOM 847 CA LYS A 55 -4.989 5.926 -5.232 1.00 0.00 C ATOM 848 C LYS A 55 -3.758 5.870 -6.138 1.00 0.00 C ATOM 849 O LYS A 55 -3.264 4.789 -6.454 1.00 0.00 O ATOM 850 CB LYS A 55 -6.207 6.581 -5.888 1.00 0.00 C ATOM 851 CG LYS A 55 -7.388 6.640 -4.917 1.00 0.00 C ATOM 852 CD LYS A 55 -8.348 5.472 -5.150 1.00 0.00 C ATOM 853 CE LYS A 55 -9.301 5.768 -6.309 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.622 6.198 -5.797 1.00 0.00 N ATOM 0 H LYS A 55 -5.230 7.420 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.281 4.896 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.950 7.588 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.491 6.019 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.021 6.615 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.920 7.583 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.780 4.567 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.921 5.281 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.879 6.547 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.416 4.879 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.331 6.118 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.899 5.592 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.566 7.186 -5.479 1.00 0.00 H new ATOM 868 N ASP A 56 -3.297 7.049 -6.531 1.00 0.00 N ATOM 869 CA ASP A 56 -2.133 7.147 -7.394 1.00 0.00 C ATOM 870 C ASP A 56 -1.356 8.420 -7.052 1.00 0.00 C ATOM 871 O ASP A 56 -1.754 9.175 -6.166 1.00 0.00 O ATOM 872 CB ASP A 56 -2.544 7.226 -8.866 1.00 0.00 C ATOM 873 CG ASP A 56 -3.052 5.913 -9.466 1.00 0.00 C ATOM 874 OD1 ASP A 56 -2.348 4.896 -9.286 1.00 0.00 O ATOM 875 OD2 ASP A 56 -4.133 5.957 -10.092 1.00 0.00 O ATOM 0 H ASP A 56 -3.709 7.944 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.521 6.259 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.323 7.981 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.689 7.568 -9.449 1.00 0.00 H new ATOM 880 N TYR A 57 -0.261 8.619 -7.772 1.00 0.00 N ATOM 881 CA TYR A 57 0.575 9.787 -7.556 1.00 0.00 C ATOM 882 C TYR A 57 -0.245 11.075 -7.655 1.00 0.00 C ATOM 883 O TYR A 57 -0.169 11.933 -6.777 1.00 0.00 O ATOM 884 CB TYR A 57 1.617 9.773 -8.676 1.00 0.00 C ATOM 885 CG TYR A 57 2.231 11.142 -8.972 1.00 0.00 C ATOM 886 CD1 TYR A 57 1.637 11.980 -9.894 1.00 0.00 C ATOM 887 CD2 TYR A 57 3.379 11.540 -8.317 1.00 0.00 C ATOM 888 CE1 TYR A 57 2.215 13.269 -10.173 1.00 0.00 C ATOM 889 CE2 TYR A 57 3.957 12.830 -8.595 1.00 0.00 C ATOM 890 CZ TYR A 57 3.346 13.630 -9.510 1.00 0.00 C ATOM 891 OH TYR A 57 3.892 14.848 -9.773 1.00 0.00 O ATOM 0 H TYR A 57 0.066 7.990 -8.506 1.00 0.00 H new ATOM 0 HA TYR A 57 1.026 9.757 -6.564 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.414 9.079 -8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.153 9.390 -9.585 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.739 11.669 -10.406 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.844 10.884 -7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.761 13.934 -10.893 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.854 13.154 -8.089 1.00 0.00 H new ATOM 0 HH TYR A 57 4.696 14.971 -9.226 1.00 0.00 H new ATOM 901 N GLN A 58 -1.011 11.169 -8.732 1.00 0.00 N ATOM 902 CA GLN A 58 -1.845 12.337 -8.958 1.00 0.00 C ATOM 903 C GLN A 58 -2.973 12.391 -7.926 1.00 0.00 C ATOM 904 O GLN A 58 -2.988 13.267 -7.062 1.00 0.00 O ATOM 905 CB GLN A 58 -2.403 12.346 -10.382 1.00 0.00 C ATOM 906 CG GLN A 58 -2.126 13.683 -11.072 1.00 0.00 C ATOM 907 CD GLN A 58 -3.408 14.270 -11.665 1.00 0.00 C ATOM 908 OE1 GLN A 58 -4.512 13.836 -11.377 1.00 0.00 O ATOM 909 NE2 GLN A 58 -3.202 15.278 -12.509 1.00 0.00 N ATOM 0 H GLN A 58 -1.072 10.455 -9.458 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.228 13.228 -8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.954 11.536 -10.957 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.477 12.162 -10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.698 14.384 -10.356 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.387 13.543 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.252 15.592 -12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.994 15.737 -12.959 1.00 0.00 H new ATOM 918 N SER A 59 -3.892 11.444 -8.050 1.00 0.00 N ATOM 919 CA SER A 59 -5.021 11.373 -7.139 1.00 0.00 C ATOM 920 C SER A 59 -4.546 11.580 -5.700 1.00 0.00 C ATOM 921 O SER A 59 -3.422 11.219 -5.355 1.00 0.00 O ATOM 922 CB SER A 59 -5.751 10.035 -7.270 1.00 0.00 C ATOM 923 OG SER A 59 -6.917 10.140 -8.083 1.00 0.00 O ATOM 0 H SER A 59 -3.877 10.720 -8.768 1.00 0.00 H new ATOM 0 HA SER A 59 -5.722 12.166 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.076 9.294 -7.698 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.031 9.676 -6.280 1.00 0.00 H new ATOM 0 HG SER A 59 -7.354 9.265 -8.143 1.00 0.00 H new ATOM 929 N GLN A 60 -5.427 12.160 -4.897 1.00 0.00 N ATOM 930 CA GLN A 60 -5.112 12.418 -3.503 1.00 0.00 C ATOM 931 C GLN A 60 -6.125 11.722 -2.591 1.00 0.00 C ATOM 932 O GLN A 60 -6.278 12.094 -1.429 1.00 0.00 O ATOM 933 CB GLN A 60 -5.065 13.922 -3.221 1.00 0.00 C ATOM 934 CG GLN A 60 -3.915 14.586 -3.981 1.00 0.00 C ATOM 935 CD GLN A 60 -2.999 15.355 -3.027 1.00 0.00 C ATOM 936 OE1 GLN A 60 -2.157 14.793 -2.346 1.00 0.00 O ATOM 937 NE2 GLN A 60 -3.209 16.668 -3.015 1.00 0.00 N ATOM 0 H GLN A 60 -6.359 12.458 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.123 12.010 -3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.010 14.380 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.945 14.092 -2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.339 13.828 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.316 15.266 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.931 17.075 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.648 17.269 -2.411 1.00 0.00 H new ATOM 946 N GLU A 61 -6.789 10.723 -3.154 1.00 0.00 N ATOM 947 CA GLU A 61 -7.783 9.971 -2.406 1.00 0.00 C ATOM 948 C GLU A 61 -7.114 8.838 -1.625 1.00 0.00 C ATOM 949 O GLU A 61 -6.505 7.947 -2.215 1.00 0.00 O ATOM 950 CB GLU A 61 -8.872 9.428 -3.334 1.00 0.00 C ATOM 951 CG GLU A 61 -10.241 10.003 -2.967 1.00 0.00 C ATOM 952 CD GLU A 61 -11.230 9.845 -4.124 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.201 8.765 -4.752 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.993 10.808 -4.355 1.00 0.00 O ATOM 0 H GLU A 61 -6.659 10.417 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.260 10.645 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.633 9.679 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.901 8.340 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.627 9.497 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.140 11.058 -2.712 1.00 0.00 H new ATOM 961 N PRO A 62 -7.253 8.911 -0.274 1.00 0.00 N ATOM 962 CA PRO A 62 -6.670 7.903 0.594 1.00 0.00 C ATOM 963 C PRO A 62 -7.477 6.604 0.546 1.00 0.00 C ATOM 964 O PRO A 62 -8.702 6.626 0.657 1.00 0.00 O ATOM 965 CB PRO A 62 -6.647 8.538 1.975 1.00 0.00 C ATOM 966 CG PRO A 62 -7.638 9.690 1.920 1.00 0.00 C ATOM 967 CD PRO A 62 -7.968 9.952 0.460 1.00 0.00 C ATOM 0 HA PRO A 62 -5.665 7.614 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.929 7.816 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.648 8.894 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.542 9.443 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.213 10.581 2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.042 9.897 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.644 10.947 0.153 1.00 0.00 H new ATOM 975 N LEU A 63 -6.758 5.504 0.382 1.00 0.00 N ATOM 976 CA LEU A 63 -7.392 4.198 0.318 1.00 0.00 C ATOM 977 C LEU A 63 -7.713 3.722 1.736 1.00 0.00 C ATOM 978 O LEU A 63 -7.126 4.203 2.704 1.00 0.00 O ATOM 979 CB LEU A 63 -6.525 3.220 -0.478 1.00 0.00 C ATOM 980 CG LEU A 63 -5.875 3.778 -1.745 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.527 3.105 -2.011 1.00 0.00 C ATOM 982 CD2 LEU A 63 -6.820 3.662 -2.943 1.00 0.00 C ATOM 0 H LEU A 63 -5.742 5.490 0.291 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.338 4.259 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.737 2.848 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.140 2.364 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.680 4.839 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.086 3.520 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.859 3.283 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.674 2.032 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.333 4.066 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.068 2.614 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.732 4.223 -2.742 1.00 0.00 H new ATOM 994 N ASP A 64 -8.643 2.782 1.814 1.00 0.00 N ATOM 995 CA ASP A 64 -9.049 2.236 3.098 1.00 0.00 C ATOM 996 C ASP A 64 -8.225 0.982 3.397 1.00 0.00 C ATOM 997 O ASP A 64 -8.360 -0.032 2.714 1.00 0.00 O ATOM 998 CB ASP A 64 -10.527 1.838 3.085 1.00 0.00 C ATOM 999 CG ASP A 64 -11.446 2.741 3.910 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.210 2.825 5.134 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.365 3.326 3.297 1.00 0.00 O ATOM 0 H ASP A 64 -9.127 2.384 1.009 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.888 3.002 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.878 1.834 2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.616 0.817 3.456 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.389 1.092 4.419 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.543 -0.020 4.817 1.00 0.00 C ATOM 1008 C LEU A 65 -7.419 -1.231 5.144 1.00 0.00 C ATOM 1009 O LEU A 65 -7.114 -2.351 4.736 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.616 0.395 5.962 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.784 1.657 5.727 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.362 2.290 7.055 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.584 1.363 4.825 1.00 0.00 C ATOM 0 H LEU A 65 -7.280 1.934 4.984 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.888 -0.312 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.220 0.544 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.936 -0.431 6.170 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.407 2.385 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.772 3.185 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.249 2.558 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.764 1.578 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.010 2.277 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.951 0.610 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.935 0.992 3.862 1.00 0.00 H new ATOM 1025 N THR A 66 -8.491 -0.965 5.876 1.00 0.00 N ATOM 1026 CA THR A 66 -9.414 -2.019 6.262 1.00 0.00 C ATOM 1027 C THR A 66 -9.876 -2.800 5.030 1.00 0.00 C ATOM 1028 O THR A 66 -10.341 -3.933 5.148 1.00 0.00 O ATOM 1029 CB THR A 66 -10.564 -1.378 7.041 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.614 -2.339 6.963 1.00 0.00 O ATOM 1031 CG2 THR A 66 -11.133 -0.145 6.337 1.00 0.00 C ATOM 0 H THR A 66 -8.741 -0.035 6.212 1.00 0.00 H new ATOM 0 HA THR A 66 -8.931 -2.750 6.910 1.00 0.00 H new ATOM 0 HB THR A 66 -10.217 -1.099 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.400 -2.005 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.946 0.271 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.348 0.603 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.511 -0.429 5.355 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.732 -2.164 3.877 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.129 -2.786 2.625 1.00 0.00 C ATOM 1041 C LYS A 67 -8.917 -3.479 1.998 1.00 0.00 C ATOM 1042 O LYS A 67 -7.781 -3.242 2.407 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.794 -1.760 1.705 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.021 -1.138 2.374 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.313 -1.737 1.814 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.457 -1.612 2.822 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.519 -0.727 2.294 1.00 0.00 N ATOM 0 H LYS A 67 -9.346 -1.225 3.783 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.880 -3.555 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.079 -0.978 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.088 -2.240 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.976 -1.303 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.018 -0.059 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.582 -1.229 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.154 -2.787 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.870 -2.598 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.078 -1.214 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.288 -0.653 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.125 0.218 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.892 -1.123 1.408 1.00 0.00 H new ATOM 1061 N SER A 68 -9.201 -4.323 1.017 1.00 0.00 N ATOM 1062 CA SER A 68 -8.148 -5.053 0.330 1.00 0.00 C ATOM 1063 C SER A 68 -8.192 -4.747 -1.169 1.00 0.00 C ATOM 1064 O SER A 68 -9.130 -4.112 -1.649 1.00 0.00 O ATOM 1065 CB SER A 68 -8.276 -6.558 0.569 1.00 0.00 C ATOM 1066 OG SER A 68 -9.630 -6.954 0.774 1.00 0.00 O ATOM 0 H SER A 68 -10.144 -4.518 0.681 1.00 0.00 H new ATOM 0 HA SER A 68 -7.188 -4.729 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.866 -7.097 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.681 -6.839 1.438 1.00 0.00 H new ATOM 0 HG SER A 68 -9.669 -7.922 0.922 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.167 -5.215 -1.866 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.077 -5.000 -3.300 1.00 0.00 C ATOM 1074 C LEU A 69 -8.355 -5.511 -3.969 1.00 0.00 C ATOM 1075 O LEU A 69 -8.792 -4.963 -4.980 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.798 -5.628 -3.857 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.492 -4.911 -3.508 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.395 -3.566 -4.229 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.336 -4.762 -1.993 1.00 0.00 C ATOM 0 H LEU A 69 -6.392 -5.742 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.004 -3.935 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.734 -6.654 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.884 -5.677 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.662 -5.524 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.458 -3.078 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.427 -3.728 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.231 -2.933 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.400 -4.249 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.169 -4.182 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.327 -5.748 -1.529 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.917 -6.555 -3.378 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.136 -7.146 -3.904 1.00 0.00 C ATOM 1093 C ASN A 70 -11.302 -6.180 -3.684 1.00 0.00 C ATOM 1094 O ASN A 70 -11.972 -5.783 -4.636 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.466 -8.457 -3.188 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.241 -9.657 -4.110 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.719 -9.710 -5.232 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.488 -10.615 -3.577 1.00 0.00 N ATOM 0 H ASN A 70 -8.551 -7.007 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.985 -7.343 -4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.844 -8.556 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.503 -8.441 -2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.279 -11.457 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.119 -10.507 -2.632 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.510 -5.831 -2.423 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.584 -4.920 -2.066 1.00 0.00 C ATOM 1107 C ASP A 71 -12.468 -3.648 -2.908 1.00 0.00 C ATOM 1108 O ASP A 71 -13.403 -3.283 -3.619 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.499 -4.520 -0.591 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.314 -5.684 0.384 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.676 -6.815 -0.006 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -11.814 -5.417 1.498 1.00 0.00 O ATOM 0 H ASP A 71 -10.953 -6.163 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.532 -5.427 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.669 -3.825 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.408 -3.982 -0.323 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.313 -3.007 -2.799 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.063 -1.784 -3.542 1.00 0.00 C ATOM 1119 C LEU A 72 -11.180 -2.069 -5.041 1.00 0.00 C ATOM 1120 O LEU A 72 -11.977 -1.439 -5.735 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.720 -1.175 -3.135 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.689 -0.463 -1.781 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.251 -0.264 -1.298 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.462 0.856 -1.837 1.00 0.00 C ATOM 0 H LEU A 72 -10.540 -3.312 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.814 -1.032 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.973 -1.968 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.418 -0.464 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.189 -1.099 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.258 0.244 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.765 -1.234 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.704 0.340 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.424 1.342 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.013 1.509 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.500 0.658 -2.104 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.375 -3.018 -5.495 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.378 -3.394 -6.898 1.00 0.00 C ATOM 1138 C GLY A 73 -9.277 -2.659 -7.665 1.00 0.00 C ATOM 1139 O GLY A 73 -9.407 -2.415 -8.864 1.00 0.00 O ATOM 0 H GLY A 73 -9.716 -3.538 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.234 -4.470 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.348 -3.164 -7.338 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.217 -2.328 -6.942 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.093 -1.626 -7.540 1.00 0.00 C ATOM 1145 C LEU A 74 -5.901 -2.580 -7.647 1.00 0.00 C ATOM 1146 O LEU A 74 -5.733 -3.466 -6.811 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.787 -0.345 -6.762 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.948 0.640 -6.608 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.559 1.809 -5.701 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.449 1.115 -7.973 1.00 0.00 C ATOM 0 H LEU A 74 -8.112 -2.533 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.338 -1.306 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.438 -0.622 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.963 0.169 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.775 0.120 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.402 2.494 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.289 1.430 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.708 2.337 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.274 1.814 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.638 1.612 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.793 0.258 -8.553 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.105 -2.365 -8.685 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.934 -3.195 -8.913 1.00 0.00 C ATOM 1164 C ARG A 75 -2.658 -2.403 -8.620 1.00 0.00 C ATOM 1165 O ARG A 75 -1.561 -2.958 -8.638 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.891 -3.703 -10.355 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.606 -5.049 -10.483 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.758 -6.178 -9.894 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.604 -7.266 -10.885 1.00 0.00 N ATOM 1170 CZ ARG A 75 -4.516 -8.225 -11.097 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -5.653 -8.236 -10.388 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -4.292 -9.172 -12.018 1.00 0.00 N ATOM 0 H ARG A 75 -5.248 -1.629 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.998 -4.051 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.360 -2.974 -11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.855 -3.805 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.567 -5.005 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.815 -5.256 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.779 -5.796 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.228 -6.563 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.750 -7.288 -11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.824 -7.515 -9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.347 -8.966 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.427 -9.163 -12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.987 -9.902 -12.179 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.844 -1.117 -8.358 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.722 -0.244 -8.063 1.00 0.00 C ATOM 1188 C GLU A 76 -2.132 0.823 -7.045 1.00 0.00 C ATOM 1189 O GLU A 76 -3.295 1.221 -6.993 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.175 0.399 -9.339 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.187 1.379 -9.937 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.131 0.668 -10.909 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -4.175 0.176 -10.430 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -2.786 0.633 -12.110 1.00 0.00 O ATOM 0 H GLU A 76 -3.756 -0.659 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.924 -0.847 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.245 0.922 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.939 -0.376 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.765 1.843 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.660 2.180 -10.456 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.155 1.255 -6.262 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.401 2.267 -5.249 1.00 0.00 C ATOM 1203 C LEU A 77 -0.138 3.110 -5.059 1.00 0.00 C ATOM 1204 O LEU A 77 0.923 2.771 -5.581 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.909 1.622 -3.958 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.123 0.408 -3.460 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.403 0.722 -2.147 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.028 -0.820 -3.339 1.00 0.00 C ATOM 0 H LEU A 77 -0.192 0.923 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.192 2.944 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.907 2.378 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.946 1.322 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.357 0.171 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.148 -0.158 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.291 1.548 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.135 1.000 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.444 -1.669 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.832 -0.611 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.454 -1.056 -4.314 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.293 4.191 -4.309 1.00 0.00 N ATOM 1221 CA TYR A 78 0.822 5.084 -4.044 1.00 0.00 C ATOM 1222 C TYR A 78 1.095 5.189 -2.542 1.00 0.00 C ATOM 1223 O TYR A 78 0.171 5.119 -1.733 1.00 0.00 O ATOM 1224 CB TYR A 78 0.397 6.457 -4.569 1.00 0.00 C ATOM 1225 CG TYR A 78 1.351 7.591 -4.190 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.522 7.773 -4.896 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.040 8.432 -3.141 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.420 8.841 -4.539 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.937 9.500 -2.783 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.083 9.651 -3.500 1.00 0.00 C ATOM 1231 OH TYR A 78 3.931 10.660 -3.163 1.00 0.00 O ATOM 0 H TYR A 78 -1.174 4.469 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 78 1.730 4.716 -4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.318 6.411 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.597 6.689 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.766 7.114 -5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.123 8.289 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.340 8.995 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.705 10.165 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 78 3.562 11.158 -2.404 1.00 0.00 H new ATOM 1241 N ALA A 79 2.369 5.353 -2.215 1.00 0.00 N ATOM 1242 CA ALA A 79 2.775 5.468 -0.825 1.00 0.00 C ATOM 1243 C ALA A 79 3.174 6.915 -0.532 1.00 0.00 C ATOM 1244 O ALA A 79 4.187 7.398 -1.035 1.00 0.00 O ATOM 1245 CB ALA A 79 3.911 4.482 -0.542 1.00 0.00 C ATOM 0 H ALA A 79 3.133 5.409 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 79 1.948 5.213 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.216 4.568 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.568 3.466 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.759 4.709 -1.188 1.00 0.00 H new ATOM 1251 N MET A 80 2.356 7.568 0.280 1.00 0.00 N ATOM 1252 CA MET A 80 2.610 8.951 0.646 1.00 0.00 C ATOM 1253 C MET A 80 3.351 9.038 1.982 1.00 0.00 C ATOM 1254 O MET A 80 3.044 8.298 2.915 1.00 0.00 O ATOM 1255 CB MET A 80 1.283 9.705 0.748 1.00 0.00 C ATOM 1256 CG MET A 80 1.515 11.183 1.067 1.00 0.00 C ATOM 1257 SD MET A 80 1.018 12.192 -0.320 1.00 0.00 S ATOM 1258 CE MET A 80 -0.696 12.466 0.094 1.00 0.00 C ATOM 0 H MET A 80 1.516 7.165 0.695 1.00 0.00 H new ATOM 0 HA MET A 80 3.235 9.402 -0.125 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.736 9.613 -0.190 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.664 9.255 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.948 11.465 1.954 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.567 11.354 1.293 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.209 12.912 -0.758 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.166 11.515 0.344 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.761 13.139 0.949 1.00 0.00 H new ATOM 1268 N ASP A 81 4.313 9.948 2.031 1.00 0.00 N ATOM 1269 CA ASP A 81 5.100 10.141 3.237 1.00 0.00 C ATOM 1270 C ASP A 81 4.616 11.399 3.960 1.00 0.00 C ATOM 1271 O ASP A 81 4.980 12.513 3.586 1.00 0.00 O ATOM 1272 CB ASP A 81 6.581 10.327 2.904 1.00 0.00 C ATOM 1273 CG ASP A 81 7.530 9.359 3.614 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.013 8.514 4.375 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.751 9.487 3.379 1.00 0.00 O ATOM 0 H ASP A 81 4.565 10.560 1.255 1.00 0.00 H new ATOM 0 HA ASP A 81 4.980 9.257 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.712 10.217 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.870 11.347 3.158 1.00 0.00 H new