USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 94 SER OG : rot 65:sc= 0.583 USER MOD Set 1.2: A 120 HIS : no HE2:sc= 0.11 K(o=0.69,f=-8.9!) USER MOD Set 2.1: A 67 MET CE :methyl -174:sc= -0.616 (180deg=-0.672) USER MOD Set 2.2: A 90 SER OG : rot 160:sc= 0 USER MOD Set 3.1: A 72 GLN : amide:sc= 0 X(o=-0.0081,f=-0.0081) USER MOD Set 3.2: A 81 THR OG1 : rot 154:sc=-0.00809 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 1.84 (180deg=1.62) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0939 X(o=-0.094,f=-0.22) USER MOD Single : A 65 MET CE :methyl -156:sc= -0.349 (180deg=-1.21) USER MOD Single : A 70 SER OG : rot -85:sc= 1.53 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 79:sc= 0.764 USER MOD Single : A 95 TYR OH : rot 71:sc= 0.173 USER MOD Single : A 107 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.22) USER MOD Single : A 112 GLN : amide:sc= 0.332! C(o=0.33!,f=-7.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0828 K(o=-0.083,f=-0.6) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ -145:sc= 0.0757 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.764 -11.126 1.034 1.00 0.00 N ATOM 101 CA LEU A 36 2.397 -11.165 0.552 1.00 0.00 C ATOM 102 C LEU A 36 1.991 -9.785 0.031 1.00 0.00 C ATOM 103 O LEU A 36 2.772 -8.830 0.007 1.00 0.00 O ATOM 104 CB LEU A 36 1.461 -11.731 1.636 1.00 0.00 C ATOM 105 CG LEU A 36 1.524 -11.061 3.015 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.191 -9.573 3.000 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.600 -11.801 3.984 1.00 0.00 C ATOM 0 HA LEU A 36 2.312 -11.847 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.436 -11.663 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.686 -12.790 1.761 1.00 0.00 H new ATOM 0 HG LEU A 36 2.561 -11.128 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.258 -9.175 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.897 -9.049 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.179 -9.430 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.644 -11.326 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.423 -11.766 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.919 -12.840 4.070 1.00 0.00 H new ATOM 119 N PHE A 37 0.752 -9.707 -0.439 1.00 0.00 N ATOM 120 CA PHE A 37 0.184 -8.586 -1.183 1.00 0.00 C ATOM 121 C PHE A 37 -1.329 -8.820 -1.288 1.00 0.00 C ATOM 122 O PHE A 37 -1.753 -9.975 -1.407 1.00 0.00 O ATOM 123 CB PHE A 37 0.832 -8.559 -2.581 1.00 0.00 C ATOM 124 CG PHE A 37 0.621 -7.282 -3.364 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.601 -7.060 -4.021 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.652 -6.324 -3.467 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.794 -5.887 -4.760 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.465 -5.164 -4.232 1.00 0.00 C ATOM 129 CZ PHE A 37 0.248 -4.959 -4.894 1.00 0.00 C ATOM 0 H PHE A 37 0.080 -10.463 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 37 0.371 -7.632 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.903 -8.726 -2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.438 -9.392 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.391 -7.794 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.589 -6.485 -2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.748 -5.696 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.255 -4.432 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.112 -4.083 -5.510 1.00 0.00 H new ATOM 139 N TYR A 38 -2.144 -7.766 -1.257 1.00 0.00 N ATOM 140 CA TYR A 38 -3.603 -7.760 -1.393 1.00 0.00 C ATOM 141 C TYR A 38 -4.014 -6.521 -2.205 1.00 0.00 C ATOM 142 O TYR A 38 -3.150 -5.801 -2.709 1.00 0.00 O ATOM 143 CB TYR A 38 -4.266 -7.738 -0.007 1.00 0.00 C ATOM 144 CG TYR A 38 -3.956 -8.905 0.909 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.770 -8.885 1.663 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.868 -9.969 1.070 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.472 -9.928 2.556 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.591 -10.997 1.984 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.396 -10.984 2.736 1.00 0.00 C ATOM 150 OH TYR A 38 -3.123 -11.974 3.631 1.00 0.00 O ATOM 0 H TYR A 38 -1.776 -6.824 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.931 -8.662 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.969 -6.819 0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.346 -7.691 -0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.081 -8.060 1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.779 -9.992 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.541 -9.924 3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.297 -11.804 2.113 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.858 -12.622 3.636 1.00 0.00 H new ATOM 160 N THR A 39 -5.312 -6.255 -2.340 1.00 0.00 N ATOM 161 CA THR A 39 -5.839 -5.110 -3.073 1.00 0.00 C ATOM 162 C THR A 39 -6.955 -4.454 -2.253 1.00 0.00 C ATOM 163 O THR A 39 -7.360 -5.026 -1.231 1.00 0.00 O ATOM 164 CB THR A 39 -6.313 -5.563 -4.476 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.509 -6.295 -4.345 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.278 -6.409 -5.226 1.00 0.00 C ATOM 0 H THR A 39 -6.040 -6.843 -1.934 1.00 0.00 H new ATOM 0 HA THR A 39 -5.063 -4.360 -3.225 1.00 0.00 H new ATOM 0 HB THR A 39 -6.466 -4.660 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.815 -6.583 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.676 -6.691 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.364 -5.830 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.057 -7.308 -4.650 1.00 0.00 H new ATOM 174 N PRO A 40 -7.466 -3.276 -2.650 1.00 0.00 N ATOM 175 CA PRO A 40 -8.669 -2.699 -2.068 1.00 0.00 C ATOM 176 C PRO A 40 -9.895 -3.480 -2.575 1.00 0.00 C ATOM 177 O PRO A 40 -10.673 -3.043 -3.415 1.00 0.00 O ATOM 178 CB PRO A 40 -8.631 -1.243 -2.511 1.00 0.00 C ATOM 179 CG PRO A 40 -8.001 -1.309 -3.883 1.00 0.00 C ATOM 180 CD PRO A 40 -6.947 -2.383 -3.684 1.00 0.00 C ATOM 0 HA PRO A 40 -8.728 -2.755 -0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.630 -0.808 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.042 -0.631 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.723 -1.581 -4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.564 -0.356 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.764 -2.926 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.997 -1.944 -3.379 1.00 0.00 H new ATOM 188 N GLY A 41 -10.012 -4.698 -2.076 1.00 0.00 N ATOM 189 CA GLY A 41 -10.881 -5.757 -2.522 1.00 0.00 C ATOM 190 C GLY A 41 -10.500 -6.953 -1.681 1.00 0.00 C ATOM 191 O GLY A 41 -11.206 -7.325 -0.745 1.00 0.00 O ATOM 0 H GLY A 41 -9.448 -4.990 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.929 -5.493 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.743 -5.961 -3.584 1.00 0.00 H new ATOM 195 N GLU A 42 -9.277 -7.437 -1.901 1.00 0.00 N ATOM 196 CA GLU A 42 -8.795 -8.683 -1.327 1.00 0.00 C ATOM 197 C GLU A 42 -8.540 -8.573 0.170 1.00 0.00 C ATOM 198 O GLU A 42 -8.139 -9.558 0.786 1.00 0.00 O ATOM 199 CB GLU A 42 -7.500 -9.180 -2.008 1.00 0.00 C ATOM 200 CG GLU A 42 -7.581 -9.503 -3.501 1.00 0.00 C ATOM 201 CD GLU A 42 -8.978 -9.939 -3.906 1.00 0.00 C ATOM 202 OE1 GLU A 42 -9.280 -11.119 -3.649 1.00 0.00 O ATOM 203 OE2 GLU A 42 -9.744 -9.133 -4.472 1.00 0.00 O ATOM 0 H GLU A 42 -8.590 -6.966 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.594 -9.403 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.730 -8.421 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.165 -10.076 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.292 -8.626 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.869 -10.293 -3.742 1.00 0.00 H new ATOM 210 N ILE A 43 -8.694 -7.397 0.779 1.00 0.00 N ATOM 211 CA ILE A 43 -8.532 -7.258 2.211 1.00 0.00 C ATOM 212 C ILE A 43 -9.909 -7.461 2.823 1.00 0.00 C ATOM 213 O ILE A 43 -10.041 -8.177 3.812 1.00 0.00 O ATOM 214 CB ILE A 43 -7.839 -5.907 2.496 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.373 -6.064 2.019 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.014 -5.469 3.965 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.355 -5.185 2.727 1.00 0.00 C ATOM 0 H ILE A 43 -8.931 -6.531 0.295 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.879 -7.998 2.673 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.296 -5.083 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.078 -7.106 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.332 -5.849 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.512 -4.515 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.075 -5.362 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.579 -6.221 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.363 -5.374 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.615 -4.137 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.356 -5.413 3.793 1.00 0.00 H new ATOM 229 N LEU A 44 -10.932 -6.886 2.200 1.00 0.00 N ATOM 230 CA LEU A 44 -12.229 -6.720 2.790 1.00 0.00 C ATOM 231 C LEU A 44 -13.058 -7.977 2.568 1.00 0.00 C ATOM 232 O LEU A 44 -13.751 -8.436 3.481 1.00 0.00 O ATOM 233 CB LEU A 44 -12.946 -5.484 2.218 1.00 0.00 C ATOM 234 CG LEU A 44 -12.252 -4.417 1.327 1.00 0.00 C ATOM 235 CD1 LEU A 44 -10.737 -4.232 1.246 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.888 -4.324 -0.057 1.00 0.00 C ATOM 0 H LEU A 44 -10.868 -6.519 1.251 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.106 -6.560 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.791 -5.861 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.358 -4.947 3.073 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.467 -3.569 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.506 -3.422 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.347 -3.988 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.276 -5.154 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.371 -3.566 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.810 -5.288 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.939 -4.051 0.043 1.00 0.00 H new ATOM 248 N TYR A 45 -12.993 -8.510 1.347 1.00 0.00 N ATOM 249 CA TYR A 45 -13.869 -9.554 0.837 1.00 0.00 C ATOM 250 C TYR A 45 -13.208 -10.936 0.831 1.00 0.00 C ATOM 251 O TYR A 45 -13.826 -11.893 0.369 1.00 0.00 O ATOM 252 CB TYR A 45 -14.315 -9.153 -0.576 1.00 0.00 C ATOM 253 CG TYR A 45 -14.901 -7.757 -0.737 1.00 0.00 C ATOM 254 CD1 TYR A 45 -15.556 -7.097 0.324 1.00 0.00 C ATOM 255 CD2 TYR A 45 -14.775 -7.107 -1.977 1.00 0.00 C ATOM 256 CE1 TYR A 45 -16.096 -5.814 0.144 1.00 0.00 C ATOM 257 CE2 TYR A 45 -15.338 -5.835 -2.169 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.008 -5.182 -1.113 1.00 0.00 C ATOM 259 OH TYR A 45 -16.493 -3.923 -1.288 1.00 0.00 O ATOM 0 H TYR A 45 -12.299 -8.211 0.662 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.729 -9.643 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.456 -9.241 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -15.057 -9.875 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.643 -7.584 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.243 -7.588 -2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.579 -5.311 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.258 -5.353 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.348 -3.643 -2.216 1.00 0.00 H new ATOM 269 N GLY A 46 -11.978 -11.060 1.334 1.00 0.00 N ATOM 270 CA GLY A 46 -11.183 -12.279 1.248 1.00 0.00 C ATOM 271 C GLY A 46 -10.296 -12.263 0.008 1.00 0.00 C ATOM 272 O GLY A 46 -10.480 -11.436 -0.880 1.00 0.00 O ATOM 0 H GLY A 46 -11.501 -10.301 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.565 -12.379 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.842 -13.147 1.218 1.00 0.00 H new ATOM 276 N LYS A 47 -9.313 -13.165 -0.055 1.00 0.00 N ATOM 277 CA LYS A 47 -8.464 -13.354 -1.230 1.00 0.00 C ATOM 278 C LYS A 47 -9.273 -13.908 -2.402 1.00 0.00 C ATOM 279 O LYS A 47 -10.259 -14.602 -2.187 1.00 0.00 O ATOM 280 CB LYS A 47 -7.326 -14.330 -0.890 1.00 0.00 C ATOM 281 CG LYS A 47 -5.970 -13.839 -1.422 1.00 0.00 C ATOM 282 CD LYS A 47 -5.016 -13.561 -0.265 1.00 0.00 C ATOM 283 CE LYS A 47 -3.682 -12.949 -0.697 1.00 0.00 C ATOM 284 NZ LYS A 47 -3.863 -11.710 -1.475 1.00 0.00 N ATOM 0 H LYS A 47 -9.083 -13.790 0.717 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.052 -12.387 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.267 -14.456 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.549 -15.309 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.539 -14.589 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.110 -12.934 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.502 -12.887 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.822 -14.493 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.079 -12.737 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.129 -13.673 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.934 -11.286 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.342 -11.930 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.441 -11.039 -0.930 1.00 0.00 H new ATOM 385 N MET A 53 -7.359 -14.428 4.552 1.00 0.00 N ATOM 386 CA MET A 53 -7.449 -13.004 4.887 1.00 0.00 C ATOM 387 C MET A 53 -6.100 -12.509 5.440 1.00 0.00 C ATOM 388 O MET A 53 -5.269 -13.328 5.859 1.00 0.00 O ATOM 389 CB MET A 53 -8.555 -12.768 5.932 1.00 0.00 C ATOM 390 CG MET A 53 -9.947 -13.169 5.429 1.00 0.00 C ATOM 391 SD MET A 53 -11.320 -12.286 6.227 1.00 0.00 S ATOM 392 CE MET A 53 -11.332 -10.779 5.219 1.00 0.00 C ATOM 0 HA MET A 53 -7.694 -12.448 3.982 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.323 -13.335 6.834 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.565 -11.715 6.212 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.995 -12.994 4.354 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.081 -14.240 5.584 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.120 -10.113 5.570 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.368 -10.277 5.304 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.514 -11.040 4.177 1.00 0.00 H new ATOM 402 N PRO A 54 -5.822 -11.193 5.479 1.00 0.00 N ATOM 403 CA PRO A 54 -4.797 -10.648 6.360 1.00 0.00 C ATOM 404 C PRO A 54 -5.332 -10.566 7.797 1.00 0.00 C ATOM 405 O PRO A 54 -6.542 -10.449 8.008 1.00 0.00 O ATOM 406 CB PRO A 54 -4.513 -9.248 5.810 1.00 0.00 C ATOM 407 CG PRO A 54 -5.869 -8.811 5.257 1.00 0.00 C ATOM 408 CD PRO A 54 -6.515 -10.114 4.785 1.00 0.00 C ATOM 0 HA PRO A 54 -3.898 -11.264 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.159 -8.573 6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.748 -9.267 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.472 -8.321 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.756 -8.102 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.580 -10.125 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.422 -10.224 3.705 1.00 0.00 H new ATOM 416 N GLU A 55 -4.428 -10.514 8.774 1.00 0.00 N ATOM 417 CA GLU A 55 -4.757 -10.125 10.128 1.00 0.00 C ATOM 418 C GLU A 55 -4.851 -8.600 10.161 1.00 0.00 C ATOM 419 O GLU A 55 -4.233 -7.914 9.349 1.00 0.00 O ATOM 420 CB GLU A 55 -3.635 -10.575 11.081 1.00 0.00 C ATOM 421 CG GLU A 55 -4.254 -11.151 12.347 1.00 0.00 C ATOM 422 CD GLU A 55 -3.268 -11.185 13.513 1.00 0.00 C ATOM 423 OE1 GLU A 55 -3.159 -10.168 14.232 1.00 0.00 O ATOM 424 OE2 GLU A 55 -2.613 -12.242 13.693 1.00 0.00 O ATOM 0 H GLU A 55 -3.443 -10.744 8.639 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.696 -10.583 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.008 -11.323 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.991 -9.731 11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.123 -10.556 12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.611 -12.161 12.147 1.00 0.00 H new ATOM 431 N VAL A 56 -5.563 -8.058 11.141 1.00 0.00 N ATOM 432 CA VAL A 56 -5.767 -6.619 11.271 1.00 0.00 C ATOM 433 C VAL A 56 -4.727 -5.966 12.196 1.00 0.00 C ATOM 434 O VAL A 56 -4.690 -4.753 12.356 1.00 0.00 O ATOM 435 CB VAL A 56 -7.255 -6.394 11.574 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.705 -7.064 12.870 1.00 0.00 C ATOM 437 CG2 VAL A 56 -7.622 -4.923 11.606 1.00 0.00 C ATOM 0 H VAL A 56 -6.018 -8.606 11.872 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.568 -6.078 10.346 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.786 -6.866 10.748 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.765 -6.870 13.031 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.539 -8.139 12.800 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.132 -6.662 13.705 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.685 -4.818 11.824 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.041 -4.420 12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.404 -4.472 10.638 1.00 0.00 H new ATOM 447 N GLY A 57 -3.814 -6.767 12.729 1.00 0.00 N ATOM 448 CA GLY A 57 -2.558 -6.349 13.327 1.00 0.00 C ATOM 449 C GLY A 57 -1.390 -7.038 12.630 1.00 0.00 C ATOM 450 O GLY A 57 -0.613 -7.727 13.297 1.00 0.00 O ATOM 0 H GLY A 57 -3.939 -7.779 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.451 -5.267 13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.553 -6.593 14.389 1.00 0.00 H new ATOM 454 N GLN A 58 -1.256 -6.914 11.303 1.00 0.00 N ATOM 455 CA GLN A 58 -0.037 -7.390 10.635 1.00 0.00 C ATOM 456 C GLN A 58 0.359 -6.506 9.458 1.00 0.00 C ATOM 457 O GLN A 58 -0.464 -5.729 8.963 1.00 0.00 O ATOM 458 CB GLN A 58 -0.210 -8.848 10.187 1.00 0.00 C ATOM 459 CG GLN A 58 -1.167 -9.010 9.003 1.00 0.00 C ATOM 460 CD GLN A 58 -0.936 -10.251 8.163 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.474 -11.287 8.624 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.294 -10.186 6.894 1.00 0.00 N ATOM 0 H GLN A 58 -1.954 -6.501 10.685 1.00 0.00 H new ATOM 0 HA GLN A 58 0.775 -7.335 11.360 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.764 -9.255 9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.579 -9.437 11.027 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.189 -9.029 9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.080 -8.133 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.678 -9.320 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.186 -11.002 6.291 1.00 0.00 H new ATOM 471 N ARG A 59 1.570 -6.713 8.928 1.00 0.00 N ATOM 472 CA ARG A 59 2.042 -5.923 7.800 1.00 0.00 C ATOM 473 C ARG A 59 1.664 -6.596 6.506 1.00 0.00 C ATOM 474 O ARG A 59 1.933 -7.776 6.272 1.00 0.00 O ATOM 475 CB ARG A 59 3.533 -5.568 7.828 1.00 0.00 C ATOM 476 CG ARG A 59 4.526 -6.727 7.953 1.00 0.00 C ATOM 477 CD ARG A 59 4.846 -7.005 9.414 1.00 0.00 C ATOM 478 NE ARG A 59 6.002 -7.904 9.549 1.00 0.00 N ATOM 479 CZ ARG A 59 6.864 -7.895 10.571 1.00 0.00 C ATOM 480 NH1 ARG A 59 6.671 -7.112 11.624 1.00 0.00 N ATOM 481 NH2 ARG A 59 7.950 -8.652 10.542 1.00 0.00 N ATOM 0 H ARG A 59 2.230 -7.415 9.262 1.00 0.00 H new ATOM 0 HA ARG A 59 1.537 -4.961 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.767 -5.020 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.702 -4.887 8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.109 -7.621 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.443 -6.487 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.052 -6.066 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.978 -7.451 9.900 1.00 0.00 H new ATOM 0 HE ARG A 59 6.158 -8.586 8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.854 -6.503 11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.340 -7.119 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.135 -9.248 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.602 -8.639 11.326 1.00 0.00 H new ATOM 495 N LEU A 60 1.061 -5.815 5.631 1.00 0.00 N ATOM 496 CA LEU A 60 0.752 -6.214 4.271 1.00 0.00 C ATOM 497 C LEU A 60 1.090 -5.105 3.278 1.00 0.00 C ATOM 498 O LEU A 60 1.677 -4.082 3.623 1.00 0.00 O ATOM 499 CB LEU A 60 -0.665 -6.829 4.148 1.00 0.00 C ATOM 500 CG LEU A 60 -1.920 -6.165 4.747 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.859 -6.101 6.259 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.258 -4.782 4.218 1.00 0.00 C ATOM 0 H LEU A 60 0.765 -4.864 5.851 1.00 0.00 H new ATOM 0 HA LEU A 60 1.406 -7.038 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.858 -6.952 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.608 -7.829 4.579 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.721 -6.826 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.763 -5.626 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.782 -7.110 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.988 -5.521 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.158 -4.414 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.430 -4.102 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.428 -4.835 3.143 1.00 0.00 H new ATOM 514 N ARG A 61 0.778 -5.372 2.013 1.00 0.00 N ATOM 515 CA ARG A 61 0.915 -4.491 0.865 1.00 0.00 C ATOM 516 C ARG A 61 -0.433 -4.469 0.177 1.00 0.00 C ATOM 517 O ARG A 61 -1.098 -5.509 0.096 1.00 0.00 O ATOM 518 CB ARG A 61 2.010 -5.010 -0.091 1.00 0.00 C ATOM 519 CG ARG A 61 3.345 -4.313 0.161 1.00 0.00 C ATOM 520 CD ARG A 61 4.525 -4.961 -0.569 1.00 0.00 C ATOM 521 NE ARG A 61 5.759 -4.200 -0.323 1.00 0.00 N ATOM 522 CZ ARG A 61 6.951 -4.317 -0.911 1.00 0.00 C ATOM 523 NH1 ARG A 61 7.132 -5.185 -1.899 1.00 0.00 N ATOM 524 NH2 ARG A 61 7.947 -3.549 -0.490 1.00 0.00 N ATOM 0 H ARG A 61 0.394 -6.279 1.748 1.00 0.00 H new ATOM 0 HA ARG A 61 1.213 -3.488 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.129 -6.086 0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.701 -4.846 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.265 -3.271 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.548 -4.312 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.650 -5.989 -0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.322 -5.001 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 61 5.695 -3.482 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.357 -5.768 -2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.046 -5.268 -2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.793 -2.885 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.866 -3.622 -0.925 1.00 0.00 H new ATOM 538 N VAL A 62 -0.826 -3.314 -0.340 1.00 0.00 N ATOM 539 CA VAL A 62 -2.056 -3.116 -1.080 1.00 0.00 C ATOM 540 C VAL A 62 -1.687 -2.437 -2.384 1.00 0.00 C ATOM 541 O VAL A 62 -1.068 -1.376 -2.346 1.00 0.00 O ATOM 542 CB VAL A 62 -3.050 -2.280 -0.256 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.365 -2.098 -1.021 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.350 -2.981 1.070 1.00 0.00 C ATOM 0 H VAL A 62 -0.275 -2.461 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.551 -4.065 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.599 -1.305 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.055 -1.504 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.170 -1.586 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.807 -3.074 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.055 -2.382 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.783 -3.962 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.426 -3.100 1.636 1.00 0.00 H new ATOM 554 N GLY A 63 -2.064 -3.014 -3.523 1.00 0.00 N ATOM 555 CA GLY A 63 -2.030 -2.307 -4.794 1.00 0.00 C ATOM 556 C GLY A 63 -3.445 -2.046 -5.259 1.00 0.00 C ATOM 557 O GLY A 63 -4.280 -2.948 -5.171 1.00 0.00 O ATOM 0 H GLY A 63 -2.398 -3.976 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.491 -1.366 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.494 -2.897 -5.537 1.00 0.00 H new ATOM 561 N GLY A 64 -3.705 -0.832 -5.730 1.00 0.00 N ATOM 562 CA GLY A 64 -5.023 -0.366 -6.141 1.00 0.00 C ATOM 563 C GLY A 64 -4.948 1.064 -6.661 1.00 0.00 C ATOM 564 O GLY A 64 -3.882 1.685 -6.594 1.00 0.00 O ATOM 0 H GLY A 64 -2.981 -0.122 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.420 -1.020 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.712 -0.416 -5.298 1.00 0.00 H new ATOM 568 N MET A 65 -6.066 1.572 -7.178 1.00 0.00 N ATOM 569 CA MET A 65 -6.180 2.860 -7.842 1.00 0.00 C ATOM 570 C MET A 65 -6.657 3.934 -6.872 1.00 0.00 C ATOM 571 O MET A 65 -7.657 3.743 -6.190 1.00 0.00 O ATOM 572 CB MET A 65 -7.134 2.750 -9.035 1.00 0.00 C ATOM 573 CG MET A 65 -7.061 4.040 -9.867 1.00 0.00 C ATOM 574 SD MET A 65 -7.584 3.944 -11.597 1.00 0.00 S ATOM 575 CE MET A 65 -6.612 2.529 -12.162 1.00 0.00 C ATOM 0 H MET A 65 -6.954 1.071 -7.141 1.00 0.00 H new ATOM 0 HA MET A 65 -5.194 3.151 -8.204 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.866 1.891 -9.651 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.154 2.587 -8.686 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.671 4.795 -9.372 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.031 4.397 -9.845 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.476 2.589 -13.242 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.638 2.538 -11.673 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.135 1.606 -11.913 1.00 0.00 H new ATOM 585 N VAL A 66 -5.931 5.042 -6.755 1.00 0.00 N ATOM 586 CA VAL A 66 -6.276 6.161 -5.885 1.00 0.00 C ATOM 587 C VAL A 66 -7.590 6.783 -6.362 1.00 0.00 C ATOM 588 O VAL A 66 -7.694 7.159 -7.533 1.00 0.00 O ATOM 589 CB VAL A 66 -5.125 7.179 -5.946 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.419 8.461 -5.163 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.839 6.557 -5.400 1.00 0.00 C ATOM 0 H VAL A 66 -5.066 5.190 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.413 5.833 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.010 7.446 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.570 9.140 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.308 8.941 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.589 8.216 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.032 7.288 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.992 6.255 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.575 5.684 -5.997 1.00 0.00 H new ATOM 601 N MET A 67 -8.570 6.933 -5.464 1.00 0.00 N ATOM 602 CA MET A 67 -9.792 7.670 -5.755 1.00 0.00 C ATOM 603 C MET A 67 -9.471 9.122 -6.119 1.00 0.00 C ATOM 604 O MET A 67 -8.802 9.815 -5.341 1.00 0.00 O ATOM 605 CB MET A 67 -10.742 7.662 -4.557 1.00 0.00 C ATOM 606 CG MET A 67 -11.501 6.352 -4.463 1.00 0.00 C ATOM 607 SD MET A 67 -12.925 6.454 -3.361 1.00 0.00 S ATOM 608 CE MET A 67 -13.339 4.700 -3.351 1.00 0.00 C ATOM 0 H MET A 67 -8.533 6.547 -4.521 1.00 0.00 H new ATOM 0 HA MET A 67 -10.275 7.176 -6.598 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.175 7.823 -3.640 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.448 8.488 -4.645 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.836 6.058 -5.458 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.828 5.571 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.270 4.549 -2.805 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.458 4.349 -4.376 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.539 4.140 -2.866 1.00 0.00 H new ATOM 618 N PRO A 68 -9.974 9.605 -7.263 1.00 0.00 N ATOM 619 CA PRO A 68 -9.709 10.938 -7.768 1.00 0.00 C ATOM 620 C PRO A 68 -10.297 11.991 -6.826 1.00 0.00 C ATOM 621 O PRO A 68 -11.513 12.063 -6.647 1.00 0.00 O ATOM 622 CB PRO A 68 -10.280 10.969 -9.190 1.00 0.00 C ATOM 623 CG PRO A 68 -11.324 9.850 -9.200 1.00 0.00 C ATOM 624 CD PRO A 68 -10.810 8.860 -8.185 1.00 0.00 C ATOM 0 HA PRO A 68 -8.646 11.177 -7.809 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.730 11.935 -9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.503 10.796 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.311 10.223 -8.928 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.415 9.398 -10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.636 8.381 -7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.240 8.068 -8.671 1.00 0.00 H new ATOM 632 N GLY A 69 -9.437 12.777 -6.186 1.00 0.00 N ATOM 633 CA GLY A 69 -9.771 13.825 -5.234 1.00 0.00 C ATOM 634 C GLY A 69 -9.504 13.449 -3.779 1.00 0.00 C ATOM 635 O GLY A 69 -9.477 14.339 -2.925 1.00 0.00 O ATOM 0 H GLY A 69 -8.430 12.693 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.199 14.720 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.825 14.081 -5.345 1.00 0.00 H new ATOM 639 N SER A 70 -9.339 12.156 -3.474 1.00 0.00 N ATOM 640 CA SER A 70 -9.393 11.679 -2.094 1.00 0.00 C ATOM 641 C SER A 70 -8.208 12.127 -1.233 1.00 0.00 C ATOM 642 O SER A 70 -8.299 12.058 -0.005 1.00 0.00 O ATOM 643 CB SER A 70 -9.528 10.153 -2.065 1.00 0.00 C ATOM 644 OG SER A 70 -8.422 9.503 -2.675 1.00 0.00 O ATOM 0 H SER A 70 -9.168 11.426 -4.165 1.00 0.00 H new ATOM 0 HA SER A 70 -10.276 12.140 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.619 9.818 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.445 9.862 -2.577 1.00 0.00 H new ATOM 0 HG SER A 70 -8.567 9.450 -3.643 1.00 0.00 H new ATOM 650 N VAL A 71 -7.091 12.527 -1.845 1.00 0.00 N ATOM 651 CA VAL A 71 -5.815 12.738 -1.190 1.00 0.00 C ATOM 652 C VAL A 71 -5.837 14.069 -0.419 1.00 0.00 C ATOM 653 O VAL A 71 -5.378 15.099 -0.907 1.00 0.00 O ATOM 654 CB VAL A 71 -4.682 12.608 -2.233 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.345 12.445 -1.511 1.00 0.00 C ATOM 656 CG2 VAL A 71 -4.813 11.414 -3.203 1.00 0.00 C ATOM 0 H VAL A 71 -7.058 12.717 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.621 11.974 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.747 13.519 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.544 12.353 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.163 13.316 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.373 11.549 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.970 11.412 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.819 10.483 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.742 11.502 -3.765 1.00 0.00 H new ATOM 666 N GLN A 72 -6.374 14.035 0.803 1.00 0.00 N ATOM 667 CA GLN A 72 -6.746 15.188 1.628 1.00 0.00 C ATOM 668 C GLN A 72 -5.537 16.081 1.921 1.00 0.00 C ATOM 669 O GLN A 72 -5.531 17.252 1.531 1.00 0.00 O ATOM 670 CB GLN A 72 -7.407 14.693 2.930 1.00 0.00 C ATOM 671 CG GLN A 72 -8.792 14.065 2.697 1.00 0.00 C ATOM 672 CD GLN A 72 -9.827 14.409 3.772 1.00 0.00 C ATOM 673 OE1 GLN A 72 -10.895 14.924 3.460 1.00 0.00 O ATOM 674 NE2 GLN A 72 -9.568 14.165 5.043 1.00 0.00 N ATOM 0 H GLN A 72 -6.573 13.151 1.271 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.462 15.799 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.756 13.959 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.505 15.529 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.169 14.393 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.683 12.982 2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.682 13.737 5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.254 14.405 5.758 1.00 0.00 H new ATOM 683 N ARG A 73 -4.503 15.497 2.545 1.00 0.00 N ATOM 684 CA ARG A 73 -3.225 16.073 2.977 1.00 0.00 C ATOM 685 C ARG A 73 -3.438 17.091 4.098 1.00 0.00 C ATOM 686 O ARG A 73 -4.297 17.975 3.997 1.00 0.00 O ATOM 687 CB ARG A 73 -2.382 16.631 1.806 1.00 0.00 C ATOM 688 CG ARG A 73 -2.683 16.022 0.428 1.00 0.00 C ATOM 689 CD ARG A 73 -1.601 16.151 -0.643 1.00 0.00 C ATOM 690 NE ARG A 73 -2.235 16.008 -1.968 1.00 0.00 N ATOM 691 CZ ARG A 73 -1.772 16.537 -3.104 1.00 0.00 C ATOM 692 NH1 ARG A 73 -0.496 16.892 -3.216 1.00 0.00 N ATOM 693 NH2 ARG A 73 -2.602 16.706 -4.124 1.00 0.00 N ATOM 0 H ARG A 73 -4.549 14.506 2.783 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.627 15.259 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.537 17.708 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.328 16.472 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.897 14.962 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.593 16.484 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.103 17.117 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.837 15.386 -0.504 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.095 15.462 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.141 16.761 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.153 17.295 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.581 16.433 -4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.262 17.109 -4.997 1.00 0.00 H new ATOM 758 N LEU A 78 2.512 16.617 6.839 1.00 0.00 N ATOM 759 CA LEU A 78 2.704 15.772 5.666 1.00 0.00 C ATOM 760 C LEU A 78 1.929 14.468 5.865 1.00 0.00 C ATOM 761 O LEU A 78 2.031 13.559 5.043 1.00 0.00 O ATOM 762 CB LEU A 78 4.198 15.498 5.370 1.00 0.00 C ATOM 763 CG LEU A 78 4.900 16.602 4.552 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.405 17.775 5.386 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.114 16.019 3.827 1.00 0.00 C ATOM 0 HA LEU A 78 2.320 16.300 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.726 15.372 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.282 14.555 4.830 1.00 0.00 H new ATOM 0 HG LEU A 78 4.139 16.974 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.885 18.505 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.566 18.244 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.126 17.416 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.605 16.803 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.814 15.613 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.789 15.225 3.155 1.00 0.00 H new ATOM 777 N LYS A 79 1.133 14.343 6.936 1.00 0.00 N ATOM 778 CA LYS A 79 0.135 13.315 7.023 1.00 0.00 C ATOM 779 C LYS A 79 -0.760 13.445 5.795 1.00 0.00 C ATOM 780 O LYS A 79 -1.090 14.559 5.375 1.00 0.00 O ATOM 781 CB LYS A 79 -0.644 13.466 8.335 1.00 0.00 C ATOM 782 CG LYS A 79 -1.497 12.215 8.544 1.00 0.00 C ATOM 783 CD LYS A 79 -0.922 11.247 9.572 1.00 0.00 C ATOM 784 CE LYS A 79 -1.190 11.715 11.004 1.00 0.00 C ATOM 785 NZ LYS A 79 -2.456 11.171 11.525 1.00 0.00 N ATOM 0 H LYS A 79 1.177 14.956 7.750 1.00 0.00 H new ATOM 0 HA LYS A 79 0.577 12.319 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.044 13.598 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.276 14.353 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.496 12.516 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.606 11.697 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.358 10.259 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.152 11.148 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.368 11.405 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.223 12.804 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.605 11.509 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.243 11.488 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.415 10.132 11.522 1.00 0.00 H new ATOM 799 N VAL A 80 -1.154 12.313 5.235 1.00 0.00 N ATOM 800 CA VAL A 80 -2.154 12.232 4.199 1.00 0.00 C ATOM 801 C VAL A 80 -3.209 11.266 4.679 1.00 0.00 C ATOM 802 O VAL A 80 -2.909 10.338 5.429 1.00 0.00 O ATOM 803 CB VAL A 80 -1.576 11.735 2.856 1.00 0.00 C ATOM 804 CG1 VAL A 80 -2.212 12.496 1.698 1.00 0.00 C ATOM 805 CG2 VAL A 80 -0.065 11.870 2.714 1.00 0.00 C ATOM 0 H VAL A 80 -0.773 11.405 5.500 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.559 13.227 4.016 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.810 10.671 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.797 12.138 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.290 12.334 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.004 13.561 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.244 11.495 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.217 12.919 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.427 11.293 3.497 1.00 0.00 H new ATOM 815 N THR A 81 -4.394 11.426 4.117 1.00 0.00 N ATOM 816 CA THR A 81 -5.342 10.355 3.963 1.00 0.00 C ATOM 817 C THR A 81 -5.707 10.337 2.479 1.00 0.00 C ATOM 818 O THR A 81 -5.788 11.407 1.867 1.00 0.00 O ATOM 819 CB THR A 81 -6.540 10.560 4.909 1.00 0.00 C ATOM 820 OG1 THR A 81 -7.090 11.863 4.807 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.149 10.390 6.376 1.00 0.00 C ATOM 0 H THR A 81 -4.722 12.320 3.752 1.00 0.00 H new ATOM 0 HA THR A 81 -4.940 9.382 4.244 1.00 0.00 H new ATOM 0 HB THR A 81 -7.263 9.805 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.034 11.841 5.070 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.025 10.544 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.760 9.384 6.535 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.383 11.121 6.635 1.00 0.00 H new ATOM 829 N PHE A 82 -5.869 9.160 1.881 1.00 0.00 N ATOM 830 CA PHE A 82 -6.512 8.970 0.585 1.00 0.00 C ATOM 831 C PHE A 82 -7.299 7.665 0.627 1.00 0.00 C ATOM 832 O PHE A 82 -7.139 6.871 1.556 1.00 0.00 O ATOM 833 CB PHE A 82 -5.511 8.994 -0.583 1.00 0.00 C ATOM 834 CG PHE A 82 -4.373 7.992 -0.585 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.172 8.337 0.065 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.461 6.777 -1.303 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.076 7.459 0.032 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.363 5.903 -1.331 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.170 6.247 -0.673 1.00 0.00 C ATOM 0 H PHE A 82 -5.547 8.286 2.298 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.188 9.805 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.075 8.856 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.074 9.992 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.094 9.278 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.370 6.522 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.162 7.715 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.435 4.964 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.323 5.578 -0.709 1.00 0.00 H new ATOM 849 N THR A 83 -8.109 7.414 -0.396 1.00 0.00 N ATOM 850 CA THR A 83 -8.796 6.145 -0.570 1.00 0.00 C ATOM 851 C THR A 83 -8.186 5.490 -1.808 1.00 0.00 C ATOM 852 O THR A 83 -7.842 6.181 -2.773 1.00 0.00 O ATOM 853 CB THR A 83 -10.312 6.377 -0.717 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.773 7.416 0.132 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.109 5.108 -0.405 1.00 0.00 C ATOM 0 H THR A 83 -8.307 8.092 -1.132 1.00 0.00 H new ATOM 0 HA THR A 83 -8.673 5.491 0.294 1.00 0.00 H new ATOM 0 HB THR A 83 -10.472 6.663 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.738 7.535 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.174 5.310 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.814 4.315 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.907 4.794 0.619 1.00 0.00 H new ATOM 863 N ILE A 84 -8.057 4.168 -1.806 1.00 0.00 N ATOM 864 CA ILE A 84 -7.710 3.379 -2.977 1.00 0.00 C ATOM 865 C ILE A 84 -8.851 2.397 -3.178 1.00 0.00 C ATOM 866 O ILE A 84 -9.422 1.892 -2.212 1.00 0.00 O ATOM 867 CB ILE A 84 -6.339 2.664 -2.857 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.795 2.603 -1.429 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.278 3.325 -3.749 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.547 1.722 -1.310 1.00 0.00 C ATOM 0 H ILE A 84 -8.195 3.603 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.588 4.030 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.534 1.644 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.556 3.612 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.570 2.220 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.330 2.798 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.599 3.281 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.150 4.366 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.204 1.715 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.789 0.705 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.759 2.118 -1.951 1.00 0.00 H new ATOM 882 N TYR A 85 -9.180 2.134 -4.432 1.00 0.00 N ATOM 883 CA TYR A 85 -10.244 1.257 -4.868 1.00 0.00 C ATOM 884 C TYR A 85 -9.719 0.428 -6.032 1.00 0.00 C ATOM 885 O TYR A 85 -8.605 0.641 -6.516 1.00 0.00 O ATOM 886 CB TYR A 85 -11.474 2.085 -5.262 1.00 0.00 C ATOM 887 CG TYR A 85 -11.321 2.815 -6.578 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.544 3.984 -6.652 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.858 2.256 -7.750 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.286 4.593 -7.887 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.604 2.852 -8.992 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.812 4.022 -9.065 1.00 0.00 C ATOM 893 OH TYR A 85 -10.553 4.592 -10.269 1.00 0.00 O ATOM 0 H TYR A 85 -8.680 2.554 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.555 0.587 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.340 1.426 -5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.679 2.811 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.142 4.417 -5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.467 1.366 -7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.690 5.492 -7.937 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.012 2.419 -9.893 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.654 4.337 -10.565 1.00 0.00 H new ATOM 903 N ASP A 86 -10.514 -0.529 -6.477 1.00 0.00 N ATOM 904 CA ASP A 86 -10.267 -1.256 -7.726 1.00 0.00 C ATOM 905 C ASP A 86 -11.616 -1.784 -8.226 1.00 0.00 C ATOM 906 O ASP A 86 -12.665 -1.321 -7.770 1.00 0.00 O ATOM 907 CB ASP A 86 -9.195 -2.358 -7.534 1.00 0.00 C ATOM 908 CG ASP A 86 -8.349 -2.600 -8.791 1.00 0.00 C ATOM 909 OD1 ASP A 86 -8.902 -2.636 -9.921 1.00 0.00 O ATOM 910 OD2 ASP A 86 -7.110 -2.696 -8.678 1.00 0.00 O ATOM 0 H ASP A 86 -11.355 -0.831 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.848 -0.599 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.539 -2.078 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.686 -3.288 -7.249 1.00 0.00 H new ATOM 915 N ALA A 87 -11.617 -2.759 -9.134 1.00 0.00 N ATOM 916 CA ALA A 87 -12.790 -3.447 -9.670 1.00 0.00 C ATOM 917 C ALA A 87 -13.556 -4.275 -8.621 1.00 0.00 C ATOM 918 O ALA A 87 -14.373 -5.126 -8.985 1.00 0.00 O ATOM 919 CB ALA A 87 -12.327 -4.362 -10.808 1.00 0.00 C ATOM 0 H ALA A 87 -10.749 -3.110 -9.538 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.487 -2.685 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.186 -4.887 -11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.855 -3.763 -11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.610 -5.087 -10.423 1.00 0.00 H new ATOM 925 N GLU A 88 -13.292 -4.093 -7.329 1.00 0.00 N ATOM 926 CA GLU A 88 -13.825 -4.907 -6.249 1.00 0.00 C ATOM 927 C GLU A 88 -14.494 -3.973 -5.243 1.00 0.00 C ATOM 928 O GLU A 88 -15.726 -3.897 -5.213 1.00 0.00 O ATOM 929 CB GLU A 88 -12.768 -5.835 -5.610 1.00 0.00 C ATOM 930 CG GLU A 88 -11.396 -5.912 -6.294 1.00 0.00 C ATOM 931 CD GLU A 88 -11.369 -6.572 -7.680 1.00 0.00 C ATOM 932 OE1 GLU A 88 -12.267 -7.378 -8.016 1.00 0.00 O ATOM 933 OE2 GLU A 88 -10.393 -6.327 -8.429 1.00 0.00 O ATOM 0 H GLU A 88 -12.679 -3.348 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.567 -5.598 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.614 -5.513 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.183 -6.842 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.002 -4.900 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.717 -6.459 -5.640 1.00 0.00 H new ATOM 940 N GLY A 89 -13.700 -3.279 -4.427 1.00 0.00 N ATOM 941 CA GLY A 89 -14.175 -2.462 -3.315 1.00 0.00 C ATOM 942 C GLY A 89 -13.240 -1.281 -3.109 1.00 0.00 C ATOM 943 O GLY A 89 -12.628 -0.809 -4.072 1.00 0.00 O ATOM 0 H GLY A 89 -12.685 -3.271 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.185 -2.107 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.224 -3.062 -2.406 1.00 0.00 H new ATOM 947 N SER A 90 -13.134 -0.782 -1.873 1.00 0.00 N ATOM 948 CA SER A 90 -12.153 0.238 -1.546 1.00 0.00 C ATOM 949 C SER A 90 -11.610 0.095 -0.117 1.00 0.00 C ATOM 950 O SER A 90 -12.164 -0.662 0.694 1.00 0.00 O ATOM 951 CB SER A 90 -12.709 1.613 -1.915 1.00 0.00 C ATOM 952 OG SER A 90 -13.799 2.044 -1.113 1.00 0.00 O ATOM 0 H SER A 90 -13.718 -1.072 -1.089 1.00 0.00 H new ATOM 0 HA SER A 90 -11.258 0.102 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.907 2.347 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.027 1.594 -2.957 1.00 0.00 H new ATOM 0 HG SER A 90 -13.890 3.017 -1.180 1.00 0.00 H new ATOM 958 N VAL A 91 -10.520 0.808 0.189 1.00 0.00 N ATOM 959 CA VAL A 91 -9.862 0.853 1.483 1.00 0.00 C ATOM 960 C VAL A 91 -9.279 2.247 1.697 1.00 0.00 C ATOM 961 O VAL A 91 -8.996 2.985 0.747 1.00 0.00 O ATOM 962 CB VAL A 91 -8.785 -0.248 1.524 1.00 0.00 C ATOM 963 CG1 VAL A 91 -7.536 0.077 0.703 1.00 0.00 C ATOM 964 CG2 VAL A 91 -8.327 -0.634 2.920 1.00 0.00 C ATOM 0 H VAL A 91 -10.055 1.397 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.565 0.665 2.294 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.311 -1.092 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.825 -0.745 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.814 0.218 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.078 0.990 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.569 -1.415 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.905 0.239 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.178 -1.003 3.493 1.00 0.00 H new ATOM 974 N ASP A 92 -9.073 2.560 2.965 1.00 0.00 N ATOM 975 CA ASP A 92 -8.588 3.845 3.465 1.00 0.00 C ATOM 976 C ASP A 92 -7.069 3.762 3.621 1.00 0.00 C ATOM 977 O ASP A 92 -6.555 2.673 3.901 1.00 0.00 O ATOM 978 CB ASP A 92 -9.254 4.132 4.826 1.00 0.00 C ATOM 979 CG ASP A 92 -10.726 4.534 4.687 1.00 0.00 C ATOM 980 OD1 ASP A 92 -11.512 3.825 4.021 1.00 0.00 O ATOM 981 OD2 ASP A 92 -11.136 5.534 5.322 1.00 0.00 O ATOM 0 H ASP A 92 -9.247 1.893 3.717 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.835 4.650 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.181 3.246 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.709 4.929 5.332 1.00 0.00 H new ATOM 986 N VAL A 93 -6.339 4.876 3.490 1.00 0.00 N ATOM 987 CA VAL A 93 -4.886 4.921 3.620 1.00 0.00 C ATOM 988 C VAL A 93 -4.427 6.210 4.320 1.00 0.00 C ATOM 989 O VAL A 93 -4.327 7.258 3.679 1.00 0.00 O ATOM 990 CB VAL A 93 -4.222 4.780 2.236 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.703 4.733 2.392 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.598 3.492 1.499 1.00 0.00 C ATOM 0 H VAL A 93 -6.753 5.786 3.287 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.574 4.082 4.242 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.572 5.640 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.239 4.633 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.357 5.652 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.427 3.880 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.092 3.464 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.293 2.631 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.677 3.463 1.345 1.00 0.00 H new ATOM 1002 N SER A 94 -4.057 6.123 5.600 1.00 0.00 N ATOM 1003 CA SER A 94 -3.244 7.123 6.291 1.00 0.00 C ATOM 1004 C SER A 94 -1.771 6.939 5.901 1.00 0.00 C ATOM 1005 O SER A 94 -1.220 5.873 6.151 1.00 0.00 O ATOM 1006 CB SER A 94 -3.402 6.943 7.804 1.00 0.00 C ATOM 1007 OG SER A 94 -4.689 7.380 8.199 1.00 0.00 O ATOM 0 H SER A 94 -4.321 5.338 6.196 1.00 0.00 H new ATOM 0 HA SER A 94 -3.571 8.124 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.263 5.896 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.636 7.512 8.331 1.00 0.00 H new ATOM 0 HG SER A 94 -5.369 6.806 7.790 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.109 7.943 5.317 1.00 0.00 N ATOM 1014 CA TYR A 95 0.340 7.999 5.118 1.00 0.00 C ATOM 1015 C TYR A 95 0.879 9.179 5.928 1.00 0.00 C ATOM 1016 O TYR A 95 0.115 9.992 6.449 1.00 0.00 O ATOM 1017 CB TYR A 95 0.629 8.149 3.616 1.00 0.00 C ATOM 1018 CG TYR A 95 2.089 8.283 3.194 1.00 0.00 C ATOM 1019 CD1 TYR A 95 3.123 7.524 3.784 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.405 9.170 2.154 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.444 7.611 3.301 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.721 9.276 1.678 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.751 8.517 2.260 1.00 0.00 C ATOM 1024 OH TYR A 95 6.016 8.702 1.798 1.00 0.00 O ATOM 0 H TYR A 95 -1.587 8.769 4.957 1.00 0.00 H new ATOM 0 HA TYR A 95 0.833 7.089 5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.208 7.284 3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.092 9.026 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.899 6.870 4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.627 9.778 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.218 6.988 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.944 9.945 0.860 1.00 0.00 H new ATOM 0 HH TYR A 95 6.302 7.908 1.300 1.00 0.00 H new ATOM 1034 N GLU A 96 2.196 9.308 6.027 1.00 0.00 N ATOM 1035 CA GLU A 96 2.872 10.491 6.513 1.00 0.00 C ATOM 1036 C GLU A 96 4.104 10.672 5.640 1.00 0.00 C ATOM 1037 O GLU A 96 5.082 9.938 5.780 1.00 0.00 O ATOM 1038 CB GLU A 96 3.171 10.363 8.012 1.00 0.00 C ATOM 1039 CG GLU A 96 3.915 11.607 8.513 1.00 0.00 C ATOM 1040 CD GLU A 96 3.940 11.675 10.038 1.00 0.00 C ATOM 1041 OE1 GLU A 96 4.499 10.781 10.701 1.00 0.00 O ATOM 1042 OE2 GLU A 96 3.393 12.663 10.589 1.00 0.00 O ATOM 0 H GLU A 96 2.840 8.563 5.760 1.00 0.00 H new ATOM 0 HA GLU A 96 2.256 11.387 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.241 10.239 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.772 9.473 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.936 11.598 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.435 12.502 8.117 1.00 0.00 H new ATOM 1049 N GLY A 97 4.024 11.587 4.683 1.00 0.00 N ATOM 1050 CA GLY A 97 5.108 11.856 3.755 1.00 0.00 C ATOM 1051 C GLY A 97 4.621 12.617 2.530 1.00 0.00 C ATOM 1052 O GLY A 97 3.420 12.788 2.309 1.00 0.00 O ATOM 0 H GLY A 97 3.198 12.166 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.884 12.433 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.562 10.916 3.443 1.00 0.00 H new ATOM 1056 N ILE A 98 5.569 13.094 1.727 1.00 0.00 N ATOM 1057 CA ILE A 98 5.298 14.063 0.663 1.00 0.00 C ATOM 1058 C ILE A 98 4.584 13.392 -0.508 1.00 0.00 C ATOM 1059 O ILE A 98 3.808 14.054 -1.194 1.00 0.00 O ATOM 1060 CB ILE A 98 6.591 14.815 0.252 1.00 0.00 C ATOM 1061 CG1 ILE A 98 6.355 15.965 -0.751 1.00 0.00 C ATOM 1062 CG2 ILE A 98 7.657 13.879 -0.339 1.00 0.00 C ATOM 1063 CD1 ILE A 98 5.398 17.044 -0.236 1.00 0.00 C ATOM 0 H ILE A 98 6.549 12.820 1.794 1.00 0.00 H new ATOM 0 HA ILE A 98 4.617 14.825 1.041 1.00 0.00 H new ATOM 0 HB ILE A 98 6.948 15.241 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.312 16.426 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.957 15.551 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.540 14.458 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.929 13.125 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.259 13.389 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.281 17.818 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.427 16.597 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.804 17.486 0.674 1.00 0.00 H new ATOM 1075 N LEU A 99 4.800 12.078 -0.645 1.00 0.00 N ATOM 1076 CA LEU A 99 4.379 11.133 -1.674 1.00 0.00 C ATOM 1077 C LEU A 99 5.393 11.111 -2.816 1.00 0.00 C ATOM 1078 O LEU A 99 6.168 12.056 -2.981 1.00 0.00 O ATOM 1079 CB LEU A 99 2.913 11.325 -2.143 1.00 0.00 C ATOM 1080 CG LEU A 99 1.917 10.769 -1.115 1.00 0.00 C ATOM 1081 CD1 LEU A 99 0.509 11.330 -1.307 1.00 0.00 C ATOM 1082 CD2 LEU A 99 1.887 9.242 -1.209 1.00 0.00 C ATOM 0 H LEU A 99 5.350 11.593 0.064 1.00 0.00 H new ATOM 0 HA LEU A 99 4.369 10.141 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.717 12.385 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.767 10.824 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 99 2.255 11.079 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.157 10.906 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.532 12.415 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.146 11.070 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.180 8.846 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.578 8.945 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.881 8.845 -1.003 1.00 0.00 H new ATOM 1094 N PRO A 100 5.453 10.013 -3.591 1.00 0.00 N ATOM 1095 CA PRO A 100 6.211 9.996 -4.831 1.00 0.00 C ATOM 1096 C PRO A 100 5.683 11.138 -5.694 1.00 0.00 C ATOM 1097 O PRO A 100 4.469 11.362 -5.707 1.00 0.00 O ATOM 1098 CB PRO A 100 5.944 8.631 -5.481 1.00 0.00 C ATOM 1099 CG PRO A 100 5.268 7.796 -4.392 1.00 0.00 C ATOM 1100 CD PRO A 100 4.673 8.801 -3.428 1.00 0.00 C ATOM 0 HA PRO A 100 7.284 10.129 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.303 8.730 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.871 8.166 -5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.497 7.151 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.987 7.148 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.621 8.980 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.725 8.437 -2.402 1.00 0.00 H new ATOM 1108 N ASP A 101 6.531 11.829 -6.459 1.00 0.00 N ATOM 1109 CA ASP A 101 5.988 12.825 -7.381 1.00 0.00 C ATOM 1110 C ASP A 101 5.086 12.110 -8.394 1.00 0.00 C ATOM 1111 O ASP A 101 3.999 12.583 -8.697 1.00 0.00 O ATOM 1112 CB ASP A 101 7.096 13.646 -8.051 1.00 0.00 C ATOM 1113 CG ASP A 101 6.592 14.952 -8.676 1.00 0.00 C ATOM 1114 OD1 ASP A 101 5.410 15.330 -8.510 1.00 0.00 O ATOM 1115 OD2 ASP A 101 7.426 15.688 -9.247 1.00 0.00 O ATOM 0 H ASP A 101 7.546 11.726 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 101 5.389 13.549 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.864 13.878 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.570 13.041 -8.824 1.00 0.00 H new ATOM 1120 N LEU A 102 5.483 10.898 -8.804 1.00 0.00 N ATOM 1121 CA LEU A 102 4.751 10.011 -9.707 1.00 0.00 C ATOM 1122 C LEU A 102 3.380 9.559 -9.204 1.00 0.00 C ATOM 1123 O LEU A 102 2.598 9.044 -9.996 1.00 0.00 O ATOM 1124 CB LEU A 102 5.571 8.734 -9.962 1.00 0.00 C ATOM 1125 CG LEU A 102 6.616 8.916 -11.074 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.958 9.380 -10.503 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.788 7.578 -11.779 1.00 0.00 C ATOM 0 H LEU A 102 6.368 10.493 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 102 4.594 10.608 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.074 8.439 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.897 7.921 -10.231 1.00 0.00 H new ATOM 0 HG LEU A 102 6.275 9.681 -11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.677 9.500 -11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.826 10.333 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.329 8.638 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.526 7.678 -12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.127 6.830 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.835 7.266 -12.205 1.00 0.00 H new ATOM 1139 N PHE A 103 3.102 9.625 -7.905 1.00 0.00 N ATOM 1140 CA PHE A 103 1.788 9.291 -7.374 1.00 0.00 C ATOM 1141 C PHE A 103 0.749 10.289 -7.909 1.00 0.00 C ATOM 1142 O PHE A 103 0.904 11.505 -7.756 1.00 0.00 O ATOM 1143 CB PHE A 103 1.897 9.281 -5.850 1.00 0.00 C ATOM 1144 CG PHE A 103 0.614 9.045 -5.097 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.272 10.116 -4.906 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.331 7.786 -4.540 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.447 9.931 -4.166 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.838 7.613 -3.778 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.726 8.685 -3.584 1.00 0.00 C ATOM 0 H PHE A 103 3.778 9.910 -7.196 1.00 0.00 H new ATOM 0 HA PHE A 103 1.452 8.305 -7.696 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.611 8.510 -5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.313 10.236 -5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.048 11.084 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.006 6.958 -4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.140 10.750 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.055 6.650 -3.339 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.618 8.551 -2.990 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.319 9.785 -8.540 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.418 10.598 -9.052 1.00 0.00 C ATOM 1161 C ARG A 104 -2.746 10.086 -8.528 1.00 0.00 C ATOM 1162 O ARG A 104 -2.898 8.923 -8.149 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.440 10.646 -10.597 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.117 11.060 -11.243 1.00 0.00 C ATOM 1165 CD ARG A 104 0.091 12.564 -11.116 1.00 0.00 C ATOM 1166 NE ARG A 104 1.510 12.929 -11.228 1.00 0.00 N ATOM 1167 CZ ARG A 104 2.066 14.004 -10.661 1.00 0.00 C ATOM 1168 NH1 ARG A 104 1.324 14.834 -9.937 1.00 0.00 N ATOM 1169 NH2 ARG A 104 3.360 14.260 -10.822 1.00 0.00 N ATOM 0 H ARG A 104 -0.441 8.787 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.257 11.615 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.720 9.662 -10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.217 11.342 -10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.708 10.531 -10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.114 10.774 -12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.479 13.077 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.298 12.905 -10.156 1.00 0.00 H new ATOM 0 HE ARG A 104 2.114 12.318 -11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.328 14.652 -9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.750 15.654 -9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.938 13.634 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.775 15.083 -10.385 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.727 10.966 -8.590 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.129 10.686 -8.390 1.00 0.00 C ATOM 1185 C GLU A 105 -5.674 10.119 -9.700 1.00 0.00 C ATOM 1186 O GLU A 105 -5.871 10.875 -10.660 1.00 0.00 O ATOM 1187 CB GLU A 105 -5.818 11.997 -8.000 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.658 12.254 -6.490 1.00 0.00 C ATOM 1189 CD GLU A 105 -6.421 13.486 -6.000 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -6.969 14.244 -6.840 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -6.564 13.634 -4.770 1.00 0.00 O ATOM 0 H GLU A 105 -3.553 11.950 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.305 9.959 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.388 12.824 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.876 11.951 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.005 11.379 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.600 12.376 -6.260 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.903 8.803 -9.741 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.433 8.099 -10.910 1.00 0.00 C ATOM 1200 C GLY A 106 -5.511 7.004 -11.450 1.00 0.00 C ATOM 1201 O GLY A 106 -5.731 6.524 -12.566 1.00 0.00 O ATOM 0 H GLY A 106 -5.722 8.187 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.393 7.654 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.622 8.823 -11.702 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.487 6.593 -10.691 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.565 5.527 -11.090 1.00 0.00 C ATOM 1207 C GLN A 107 -3.375 4.496 -9.994 1.00 0.00 C ATOM 1208 O GLN A 107 -3.708 4.742 -8.831 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.194 6.088 -11.489 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.558 6.909 -10.376 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.154 7.257 -10.820 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.061 7.937 -11.815 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.833 6.710 -10.148 1.00 0.00 N ATOM 0 H GLN A 107 -4.275 6.995 -9.778 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.022 5.042 -11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.531 5.265 -11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.303 6.709 -12.378 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.136 7.813 -10.187 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.537 6.343 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.636 6.146 -9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.796 6.849 -10.453 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.774 3.375 -10.390 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.366 2.309 -9.509 1.00 0.00 C ATOM 1224 C GLY A 108 -1.169 2.784 -8.703 1.00 0.00 C ATOM 1225 O GLY A 108 -0.266 3.447 -9.230 1.00 0.00 O ATOM 0 H GLY A 108 -2.555 3.188 -11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.185 2.032 -8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.107 1.420 -10.084 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.147 2.430 -7.428 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.043 2.665 -6.509 1.00 0.00 C ATOM 1231 C VAL A 109 0.127 1.371 -5.702 1.00 0.00 C ATOM 1232 O VAL A 109 -0.735 0.491 -5.762 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.310 3.930 -5.655 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.812 5.111 -6.504 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.247 3.645 -4.479 1.00 0.00 C ATOM 0 H VAL A 109 -1.931 1.951 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 109 0.896 2.881 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 109 0.652 4.225 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.985 5.974 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.064 5.363 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.743 4.834 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.405 4.561 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.203 3.282 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.801 2.888 -3.833 1.00 0.00 H new ATOM 1245 N VAL A 110 1.200 1.242 -4.924 1.00 0.00 N ATOM 1246 CA VAL A 110 1.409 0.145 -3.997 1.00 0.00 C ATOM 1247 C VAL A 110 1.667 0.785 -2.638 1.00 0.00 C ATOM 1248 O VAL A 110 2.693 1.441 -2.439 1.00 0.00 O ATOM 1249 CB VAL A 110 2.532 -0.775 -4.519 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.135 -1.665 -3.430 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.987 -1.680 -5.632 1.00 0.00 C ATOM 0 H VAL A 110 1.964 1.918 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 110 0.549 -0.517 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 110 3.319 -0.118 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.919 -2.288 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.559 -1.041 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.357 -2.301 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.784 -2.328 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.174 -2.291 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.615 -1.065 -6.452 1.00 0.00 H new ATOM 1261 N VAL A 111 0.712 0.666 -1.720 1.00 0.00 N ATOM 1262 CA VAL A 111 0.886 0.906 -0.300 1.00 0.00 C ATOM 1263 C VAL A 111 1.513 -0.338 0.342 1.00 0.00 C ATOM 1264 O VAL A 111 1.388 -1.457 -0.162 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.513 1.236 0.251 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.732 0.980 1.736 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.806 2.709 -0.011 1.00 0.00 C ATOM 0 H VAL A 111 -0.240 0.389 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 111 1.560 1.734 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.183 0.553 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.753 1.250 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.567 -0.076 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.033 1.582 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.795 2.957 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.057 3.323 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.776 2.901 -1.084 1.00 0.00 H new ATOM 1277 N GLN A 112 2.134 -0.119 1.493 1.00 0.00 N ATOM 1278 CA GLN A 112 2.644 -1.075 2.459 1.00 0.00 C ATOM 1279 C GLN A 112 2.628 -0.369 3.800 1.00 0.00 C ATOM 1280 O GLN A 112 2.824 0.842 3.819 1.00 0.00 O ATOM 1281 CB GLN A 112 4.101 -1.439 2.116 1.00 0.00 C ATOM 1282 CG GLN A 112 4.770 -2.313 3.182 1.00 0.00 C ATOM 1283 CD GLN A 112 5.958 -3.083 2.636 1.00 0.00 C ATOM 1284 OE1 GLN A 112 6.727 -2.604 1.808 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.093 -4.338 3.007 1.00 0.00 N ATOM 0 H GLN A 112 2.310 0.837 1.803 1.00 0.00 H new ATOM 0 HA GLN A 112 2.045 -1.986 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.123 -1.962 1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.678 -0.523 1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.097 -1.685 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.039 -3.015 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 112 5.455 -4.738 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 112 6.836 -4.911 2.607 1.00 0.00 H new ATOM 1294 N GLY A 113 2.493 -1.121 4.884 1.00 0.00 N ATOM 1295 CA GLY A 113 2.698 -0.693 6.253 1.00 0.00 C ATOM 1296 C GLY A 113 1.916 -1.676 7.091 1.00 0.00 C ATOM 1297 O GLY A 113 2.209 -2.866 6.991 1.00 0.00 O ATOM 0 H GLY A 113 2.222 -2.102 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.756 -0.704 6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.342 0.326 6.405 1.00 0.00 H new ATOM 1301 N GLU A 114 0.825 -1.274 7.742 1.00 0.00 N ATOM 1302 CA GLU A 114 0.042 -2.174 8.565 1.00 0.00 C ATOM 1303 C GLU A 114 -1.418 -2.042 8.194 1.00 0.00 C ATOM 1304 O GLU A 114 -1.835 -1.055 7.595 1.00 0.00 O ATOM 1305 CB GLU A 114 0.242 -1.870 10.059 1.00 0.00 C ATOM 1306 CG GLU A 114 0.473 -3.162 10.845 1.00 0.00 C ATOM 1307 CD GLU A 114 1.913 -3.683 10.809 1.00 0.00 C ATOM 1308 OE1 GLU A 114 2.838 -2.993 10.322 1.00 0.00 O ATOM 1309 OE2 GLU A 114 2.126 -4.815 11.306 1.00 0.00 O ATOM 0 H GLU A 114 0.467 -0.320 7.710 1.00 0.00 H new ATOM 0 HA GLU A 114 0.375 -3.196 8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.093 -1.202 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.633 -1.351 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.187 -2.996 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.188 -3.934 10.452 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.194 -3.050 8.558 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.635 -2.931 8.682 1.00 0.00 C ATOM 1318 C LEU A 115 -3.927 -2.146 9.972 1.00 0.00 C ATOM 1319 O LEU A 115 -3.203 -2.332 10.949 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.210 -4.351 8.667 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.373 -4.510 7.657 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.027 -5.890 7.691 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.464 -3.446 7.724 1.00 0.00 C ATOM 0 H LEU A 115 -1.837 -3.980 8.777 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.105 -2.383 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.418 -5.057 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.563 -4.607 9.666 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.855 -4.374 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.833 -5.929 6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.284 -6.651 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.432 -6.076 8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.225 -3.658 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.919 -3.454 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.028 -2.465 7.533 1.00 0.00 H new ATOM 1335 N GLU A 116 -4.944 -1.279 9.980 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.410 -0.545 11.159 1.00 0.00 C ATOM 1337 C GLU A 116 -6.643 -1.269 11.712 1.00 0.00 C ATOM 1338 O GLU A 116 -6.511 -2.155 12.554 1.00 0.00 O ATOM 1339 CB GLU A 116 -5.680 0.955 10.857 1.00 0.00 C ATOM 1340 CG GLU A 116 -5.654 1.772 12.168 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.164 3.218 12.050 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -7.393 3.449 12.203 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -5.343 4.145 11.880 1.00 0.00 O ATOM 0 H GLU A 116 -5.481 -1.062 9.141 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.627 -0.536 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.928 1.336 10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.648 1.067 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.255 1.252 12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.631 1.794 12.543 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.835 -0.918 11.218 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.148 -1.448 11.550 1.00 0.00 C ATOM 1352 C LYS A 117 -10.146 -0.860 10.550 1.00 0.00 C ATOM 1353 O LYS A 117 -9.902 0.207 9.983 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.515 -1.028 12.983 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.698 -2.225 13.911 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.075 -2.895 13.780 1.00 0.00 C ATOM 1357 CE LYS A 117 -10.959 -4.346 13.302 1.00 0.00 C ATOM 1358 NZ LYS A 117 -12.103 -5.164 13.753 1.00 0.00 N ATOM 0 H LYS A 117 -7.904 -0.187 10.510 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.161 -2.537 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.734 -0.380 13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.435 -0.443 12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.923 -2.961 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.557 -1.901 14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.585 -2.869 14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.689 -2.329 13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.904 -4.367 12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.032 -4.779 13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.989 -6.139 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.141 -5.165 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.986 -4.765 13.374 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.285 -1.526 10.354 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.368 -1.022 9.521 1.00 0.00 C ATOM 1374 C GLY A 118 -12.020 -0.945 8.032 1.00 0.00 C ATOM 1375 O GLY A 118 -12.639 -0.161 7.315 1.00 0.00 O ATOM 0 H GLY A 118 -11.479 -2.435 10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.240 -1.664 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.650 -0.029 9.870 1.00 0.00 H new ATOM 1379 N ASN A 119 -11.076 -1.765 7.558 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.422 -1.704 6.250 1.00 0.00 C ATOM 1381 C ASN A 119 -9.725 -0.348 6.071 1.00 0.00 C ATOM 1382 O ASN A 119 -10.137 0.480 5.259 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.335 -2.043 5.043 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.284 -3.214 5.157 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -13.433 -3.115 4.733 1.00 0.00 O ATOM 1386 ND2 ASN A 119 -11.824 -4.366 5.606 1.00 0.00 N ATOM 0 H ASN A 119 -10.726 -2.542 8.118 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.678 -2.501 6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.929 -1.157 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.691 -2.222 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -12.425 -5.190 5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -10.868 -4.432 5.955 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.628 -0.141 6.798 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.779 1.037 6.696 1.00 0.00 C ATOM 1395 C HIS A 120 -6.340 0.571 6.832 1.00 0.00 C ATOM 1396 O HIS A 120 -6.056 -0.270 7.677 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.159 2.008 7.817 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.296 3.232 7.998 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.231 3.969 9.158 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.397 3.777 7.119 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.305 4.921 8.978 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.784 4.851 7.747 1.00 0.00 N ATOM 0 H HIS A 120 -8.299 -0.810 7.494 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.903 1.552 5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.182 2.340 7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.160 1.455 8.756 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.786 3.818 10.001 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.201 3.431 6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.018 5.646 9.725 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.450 1.088 5.998 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.032 0.802 5.961 1.00 0.00 C ATOM 1412 C ILE A 121 -3.282 1.996 6.544 1.00 0.00 C ATOM 1413 O ILE A 121 -3.458 3.127 6.088 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.619 0.540 4.494 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.597 -0.314 3.653 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.263 -0.153 4.516 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.773 -1.752 4.156 1.00 0.00 C ATOM 0 H ILE A 121 -5.722 1.763 5.283 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.791 -0.082 6.551 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.609 1.515 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.571 0.176 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.242 -0.343 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.940 -0.353 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.533 0.491 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.344 -1.093 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.474 -2.280 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.810 -2.263 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.160 -1.736 5.175 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.376 1.729 7.480 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.281 2.635 7.769 1.00 0.00 C ATOM 1431 C LEU A 122 -0.272 2.385 6.671 1.00 0.00 C ATOM 1432 O LEU A 122 0.295 1.296 6.575 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.613 2.340 9.115 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.237 3.009 10.339 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.356 4.536 10.255 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.638 2.504 10.632 1.00 0.00 C ATOM 0 H LEU A 122 -2.384 0.885 8.052 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.645 3.661 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.621 1.261 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.432 2.645 9.053 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.533 2.742 11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.810 4.916 11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.364 4.972 10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.978 4.806 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.032 3.014 11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.283 2.705 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.606 1.431 10.819 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.103 3.364 5.807 1.00 0.00 N ATOM 1449 CA ALA A 123 0.916 3.437 4.792 1.00 0.00 C ATOM 1450 C ALA A 123 2.223 3.863 5.454 1.00 0.00 C ATOM 1451 O ALA A 123 2.264 4.797 6.261 1.00 0.00 O ATOM 1452 CB ALA A 123 0.448 4.448 3.755 1.00 0.00 C ATOM 0 H ALA A 123 -0.715 4.180 5.798 1.00 0.00 H new ATOM 0 HA ALA A 123 1.086 2.479 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.195 4.532 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.498 4.117 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.311 5.419 4.230 1.00 0.00 H new ATOM 1458 N LYS A 124 3.304 3.176 5.105 1.00 0.00 N ATOM 1459 CA LYS A 124 4.631 3.364 5.673 1.00 0.00 C ATOM 1460 C LYS A 124 5.599 3.934 4.646 1.00 0.00 C ATOM 1461 O LYS A 124 6.556 4.587 5.058 1.00 0.00 O ATOM 1462 CB LYS A 124 5.093 2.056 6.349 1.00 0.00 C ATOM 1463 CG LYS A 124 5.874 1.080 5.441 1.00 0.00 C ATOM 1464 CD LYS A 124 7.381 1.294 5.632 1.00 0.00 C ATOM 1465 CE LYS A 124 7.826 0.551 6.893 1.00 0.00 C ATOM 1466 NZ LYS A 124 9.208 0.872 7.282 1.00 0.00 N ATOM 0 H LYS A 124 3.278 2.446 4.393 1.00 0.00 H new ATOM 0 HA LYS A 124 4.601 4.119 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.720 2.311 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.216 1.539 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.609 0.051 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.603 1.242 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.928 0.926 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.603 2.357 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.154 0.802 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.740 -0.523 6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.459 0.342 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.855 0.609 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.288 1.892 7.468 1.00 0.00 H new ATOM 1480 N GLU A 125 5.362 3.736 3.344 1.00 0.00 N ATOM 1481 CA GLU A 125 6.220 4.260 2.299 1.00 0.00 C ATOM 1482 C GLU A 125 5.485 4.774 1.059 1.00 0.00 C ATOM 1483 O GLU A 125 5.715 5.913 0.673 1.00 0.00 O ATOM 1484 CB GLU A 125 7.302 3.219 1.994 1.00 0.00 C ATOM 1485 CG GLU A 125 6.814 1.890 1.383 1.00 0.00 C ATOM 1486 CD GLU A 125 7.880 0.783 1.353 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.160 0.180 2.415 1.00 0.00 O ATOM 1488 OE2 GLU A 125 8.417 0.465 0.260 1.00 0.00 O ATOM 0 H GLU A 125 4.565 3.205 2.994 1.00 0.00 H new ATOM 0 HA GLU A 125 6.692 5.169 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.024 3.666 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.834 2.996 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.954 1.536 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.470 2.075 0.366 1.00 0.00 H new ATOM 1495 N VAL A 126 4.526 4.030 0.493 1.00 0.00 N ATOM 1496 CA VAL A 126 3.822 4.333 -0.757 1.00 0.00 C ATOM 1497 C VAL A 126 4.787 4.392 -1.937 1.00 0.00 C ATOM 1498 O VAL A 126 5.812 5.076 -1.961 1.00 0.00 O ATOM 1499 CB VAL A 126 2.892 5.564 -0.660 1.00 0.00 C ATOM 1500 CG1 VAL A 126 2.450 6.087 -2.037 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.594 5.211 0.073 1.00 0.00 C ATOM 0 H VAL A 126 4.206 3.159 0.916 1.00 0.00 H new ATOM 0 HA VAL A 126 3.144 3.500 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 126 3.477 6.318 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.799 6.951 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.327 6.378 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.910 5.303 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.956 6.093 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.074 4.421 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.827 4.868 1.081 1.00 0.00 H new ATOM 1511 N LEU A 127 4.402 3.659 -2.971 1.00 0.00 N ATOM 1512 CA LEU A 127 5.139 3.509 -4.199 1.00 0.00 C ATOM 1513 C LEU A 127 4.125 3.689 -5.318 1.00 0.00 C ATOM 1514 O LEU A 127 2.930 3.481 -5.099 1.00 0.00 O ATOM 1515 CB LEU A 127 5.738 2.090 -4.247 1.00 0.00 C ATOM 1516 CG LEU A 127 6.574 1.636 -3.033 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.856 0.133 -3.114 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.883 2.411 -2.926 1.00 0.00 C ATOM 0 H LEU A 127 3.528 3.133 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 127 5.953 4.229 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.919 1.382 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.366 2.018 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 127 5.991 1.844 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.447 -0.173 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.913 -0.414 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.409 -0.085 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.443 2.062 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.475 2.252 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.669 3.474 -2.815 1.00 0.00 H new ATOM 1530 N ALA A 128 4.569 4.020 -6.526 1.00 0.00 N ATOM 1531 CA ALA A 128 3.669 4.234 -7.661 1.00 0.00 C ATOM 1532 C ALA A 128 4.091 3.360 -8.836 1.00 0.00 C ATOM 1533 O ALA A 128 4.338 3.867 -9.927 1.00 0.00 O ATOM 1534 CB ALA A 128 3.546 5.724 -8.007 1.00 0.00 C ATOM 0 H ALA A 128 5.556 4.148 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 128 2.661 3.922 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.871 5.846 -8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.152 6.266 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.528 6.120 -8.266 1.00 0.00 H new ATOM 1540 N LYS A 129 4.194 2.044 -8.603 1.00 0.00 N ATOM 1541 CA LYS A 129 4.507 1.010 -9.603 1.00 0.00 C ATOM 1542 C LYS A 129 5.736 1.279 -10.478 1.00 0.00 C ATOM 1543 O LYS A 129 5.929 0.565 -11.462 1.00 0.00 O ATOM 1544 CB LYS A 129 3.232 0.670 -10.407 1.00 0.00 C ATOM 1545 CG LYS A 129 2.316 -0.322 -9.671 1.00 0.00 C ATOM 1546 CD LYS A 129 2.912 -1.725 -9.434 1.00 0.00 C ATOM 1547 CE LYS A 129 3.343 -2.439 -10.724 1.00 0.00 C ATOM 1548 NZ LYS A 129 4.726 -2.137 -11.177 1.00 0.00 N ATOM 0 H LYS A 129 4.055 1.652 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 129 4.824 0.126 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.679 1.587 -10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.516 0.249 -11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.046 0.107 -8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.393 -0.430 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.774 -1.637 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.175 -2.340 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 129 3.253 -3.515 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.649 -2.169 -11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.755 -2.123 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 5.017 -1.209 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 5.375 -2.868 -10.822 1.00 0.00 H new