USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 371 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: B 212 SER OG : rot 120:sc= -0.878 USER MOD Set 1.2: B 216 MET CE :methyl -136:sc= -4.48! (180deg=-3.82!) USER MOD Set 2.1: A 318 HIS : no HD1:sc= -0.919 K(o=0.34,f=-6.2!) USER MOD Set 2.2: B 211 TYR OH : rot -11:sc= 1.26 USER MOD Single : A 296 SER OG : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= -0.0329 K(o=-0.033,f=-1.6) USER MOD Single : A 308 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 TYR OH : rot 180:sc= 0.301 USER MOD Single : A 319 ASN : amide:sc= -1.45 K(o=-1.4,f=-4.1!) USER MOD Single : A 320 ASN : amide:sc= -0.855! X(o=-0.85!,f=-0.82) USER MOD Single : A 322 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 323 THR OG1 : rot 174:sc= 0.973 USER MOD Single : A 324 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.9!) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0.00725 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 ASN : amide:sc=-0.00924 K(o=-0.0092,f=-1.6) USER MOD Single : B 202 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 6.934 -16.363 -3.052 1.00 0.00 N ATOM 2 CA GLY A 292 5.853 -15.346 -3.151 1.00 0.00 C ATOM 3 C GLY A 292 6.318 -14.068 -3.823 1.00 0.00 C ATOM 4 O GLY A 292 6.554 -13.062 -3.152 1.00 0.00 O ATOM 0 HA2 GLY A 292 5.016 -15.763 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 292 5.484 -15.114 -2.152 1.00 0.00 H new ATOM 10 N PRO A 293 6.460 -14.077 -5.159 1.00 0.00 N ATOM 11 CA PRO A 293 6.903 -12.903 -5.918 1.00 0.00 C ATOM 12 C PRO A 293 5.903 -11.752 -5.835 1.00 0.00 C ATOM 13 O PRO A 293 6.278 -10.610 -5.569 1.00 0.00 O ATOM 14 CB PRO A 293 7.006 -13.418 -7.357 1.00 0.00 C ATOM 15 CG PRO A 293 6.124 -14.617 -7.401 1.00 0.00 C ATOM 16 CD PRO A 293 6.201 -15.234 -6.035 1.00 0.00 C ATOM 0 HA PRO A 293 7.839 -12.500 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 293 6.680 -12.662 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 293 8.034 -13.675 -7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 293 5.099 -14.339 -7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 293 6.456 -15.319 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 293 5.274 -15.741 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 293 6.999 -15.974 -5.971 1.00 0.00 H new ATOM 21 N LEU A 294 4.632 -12.061 -6.066 1.00 0.00 N ATOM 22 CA LEU A 294 3.580 -11.052 -6.017 1.00 0.00 C ATOM 23 C LEU A 294 2.202 -11.698 -6.121 1.00 0.00 C ATOM 24 O LEU A 294 1.298 -11.386 -5.345 1.00 0.00 O ATOM 25 CB LEU A 294 3.767 -10.036 -7.146 1.00 0.00 C ATOM 26 CG LEU A 294 3.077 -8.689 -6.926 1.00 0.00 C ATOM 27 CD1 LEU A 294 3.607 -8.017 -5.668 1.00 0.00 C ATOM 28 CD2 LEU A 294 3.271 -7.788 -8.136 1.00 0.00 C ATOM 0 H LEU A 294 4.305 -13.001 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 294 3.648 -10.537 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 294 4.834 -9.862 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 294 3.392 -10.472 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 294 2.009 -8.866 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 294 3.105 -7.060 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 294 3.417 -8.657 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 294 4.680 -7.852 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 294 2.774 -6.834 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 294 4.336 -7.618 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 294 2.843 -8.265 -9.017 1.00 0.00 H new ATOM 39 N GLY A 295 2.046 -12.597 -7.087 1.00 0.00 N ATOM 40 CA GLY A 295 0.776 -13.272 -7.275 1.00 0.00 C ATOM 41 C GLY A 295 0.382 -13.367 -8.736 1.00 0.00 C ATOM 42 O GLY A 295 -0.245 -14.340 -9.157 1.00 0.00 O ATOM 0 H GLY A 295 2.777 -12.870 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.834 -14.275 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 295 -0.000 -12.739 -6.726 1.00 0.00 H new ATOM 46 N SER A 296 0.749 -12.352 -9.512 1.00 0.00 N ATOM 47 CA SER A 296 0.432 -12.322 -10.936 1.00 0.00 C ATOM 48 C SER A 296 -1.048 -12.603 -11.170 1.00 0.00 C ATOM 49 O SER A 296 -1.407 -13.471 -11.966 1.00 0.00 O ATOM 50 CB SER A 296 1.283 -13.344 -11.691 1.00 0.00 C ATOM 51 OG SER A 296 2.575 -13.453 -11.122 1.00 0.00 O ATOM 0 H SER A 296 1.267 -11.539 -9.179 1.00 0.00 H new ATOM 0 HA SER A 296 0.657 -11.324 -11.312 1.00 0.00 H new ATOM 0 HB2 SER A 296 0.791 -14.316 -11.672 1.00 0.00 H new ATOM 0 HB3 SER A 296 1.367 -13.050 -12.737 1.00 0.00 H new ATOM 0 HG SER A 296 3.098 -14.114 -11.622 1.00 0.00 H new ATOM 56 N GLY A 297 -1.903 -11.863 -10.472 1.00 0.00 N ATOM 57 CA GLY A 297 -3.334 -12.049 -10.619 1.00 0.00 C ATOM 58 C GLY A 297 -4.136 -10.918 -10.001 1.00 0.00 C ATOM 59 O GLY A 297 -3.578 -10.063 -9.315 1.00 0.00 O ATOM 0 H GLY A 297 -1.630 -11.138 -9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 297 -3.580 -12.127 -11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 297 -3.624 -12.991 -10.154 1.00 0.00 H new ATOM 63 N PRO A 298 -5.461 -10.892 -10.230 1.00 0.00 N ATOM 64 CA PRO A 298 -6.341 -9.848 -9.689 1.00 0.00 C ATOM 65 C PRO A 298 -6.331 -9.810 -8.165 1.00 0.00 C ATOM 66 O PRO A 298 -5.359 -10.219 -7.530 1.00 0.00 O ATOM 67 CB PRO A 298 -7.731 -10.243 -10.204 1.00 0.00 C ATOM 68 CG PRO A 298 -7.475 -11.144 -11.362 1.00 0.00 C ATOM 69 CD PRO A 298 -6.206 -11.873 -11.036 1.00 0.00 C ATOM 0 HA PRO A 298 -6.024 -8.853 -10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 298 -8.308 -10.750 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 298 -8.303 -9.366 -10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 298 -8.301 -11.841 -11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 298 -7.373 -10.575 -12.286 1.00 0.00 H new ATOM 0 HD2 PRO A 298 -6.399 -12.790 -10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 298 -5.659 -12.155 -11.936 1.00 0.00 H new ATOM 74 N LEU A 299 -7.416 -9.309 -7.584 1.00 0.00 N ATOM 75 CA LEU A 299 -7.539 -9.220 -6.134 1.00 0.00 C ATOM 76 C LEU A 299 -8.943 -9.614 -5.686 1.00 0.00 C ATOM 77 O LEU A 299 -9.903 -9.476 -6.443 1.00 0.00 O ATOM 78 CB LEU A 299 -7.221 -7.799 -5.661 1.00 0.00 C ATOM 79 CG LEU A 299 -5.739 -7.515 -5.409 1.00 0.00 C ATOM 80 CD1 LEU A 299 -5.560 -6.147 -4.769 1.00 0.00 C ATOM 81 CD2 LEU A 299 -5.133 -8.599 -4.532 1.00 0.00 C ATOM 0 H LEU A 299 -8.225 -8.958 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 299 -6.825 -9.912 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -7.588 -7.094 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -7.773 -7.607 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 299 -5.219 -7.516 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -4.500 -5.962 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -5.959 -5.380 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -6.092 -6.118 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -4.078 -8.382 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -5.656 -8.628 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -5.230 -9.565 -5.028 1.00 0.00 H new ATOM 92 N PRO A 300 -9.081 -10.113 -4.445 1.00 0.00 N ATOM 93 CA PRO A 300 -10.380 -10.526 -3.905 1.00 0.00 C ATOM 94 C PRO A 300 -11.391 -9.383 -3.906 1.00 0.00 C ATOM 95 O PRO A 300 -11.092 -8.280 -4.366 1.00 0.00 O ATOM 96 CB PRO A 300 -10.060 -10.961 -2.471 1.00 0.00 C ATOM 97 CG PRO A 300 -8.597 -11.247 -2.468 1.00 0.00 C ATOM 98 CD PRO A 300 -7.991 -10.313 -3.476 1.00 0.00 C ATOM 0 HA PRO A 300 -10.836 -11.314 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 300 -10.310 -10.177 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 300 -10.635 -11.843 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 300 -8.170 -11.084 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 300 -8.402 -12.286 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 300 -7.681 -9.373 -3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 300 -7.108 -10.746 -3.946 1.00 0.00 H new ATOM 103 N PRO A 301 -12.606 -9.632 -3.389 1.00 0.00 N ATOM 104 CA PRO A 301 -13.666 -8.624 -3.341 1.00 0.00 C ATOM 105 C PRO A 301 -13.517 -7.657 -2.168 1.00 0.00 C ATOM 106 O PRO A 301 -14.424 -7.519 -1.349 1.00 0.00 O ATOM 107 CB PRO A 301 -14.925 -9.471 -3.173 1.00 0.00 C ATOM 108 CG PRO A 301 -14.471 -10.661 -2.398 1.00 0.00 C ATOM 109 CD PRO A 301 -13.046 -10.920 -2.817 1.00 0.00 C ATOM 0 HA PRO A 301 -13.663 -7.986 -4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -15.704 -8.924 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -15.341 -9.760 -4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -14.533 -10.474 -1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -15.101 -11.525 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -12.427 -11.213 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -12.985 -11.725 -3.550 1.00 0.00 H new ATOM 114 N GLY A 302 -12.370 -6.987 -2.092 1.00 0.00 N ATOM 115 CA GLY A 302 -12.143 -6.037 -1.016 1.00 0.00 C ATOM 116 C GLY A 302 -10.757 -5.423 -1.050 1.00 0.00 C ATOM 117 O GLY A 302 -10.572 -4.273 -0.650 1.00 0.00 O ATOM 0 H GLY A 302 -11.598 -7.084 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -12.888 -5.243 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -12.289 -6.538 -0.059 1.00 0.00 H new ATOM 121 N TRP A 303 -9.782 -6.188 -1.525 1.00 0.00 N ATOM 122 CA TRP A 303 -8.405 -5.713 -1.599 1.00 0.00 C ATOM 123 C TRP A 303 -8.148 -4.930 -2.878 1.00 0.00 C ATOM 124 O TRP A 303 -8.849 -5.092 -3.876 1.00 0.00 O ATOM 125 CB TRP A 303 -7.433 -6.888 -1.539 1.00 0.00 C ATOM 126 CG TRP A 303 -7.526 -7.678 -0.275 1.00 0.00 C ATOM 127 CD1 TRP A 303 -8.367 -8.719 -0.024 1.00 0.00 C ATOM 128 CD2 TRP A 303 -6.743 -7.496 0.905 1.00 0.00 C ATOM 129 NE1 TRP A 303 -8.160 -9.194 1.247 1.00 0.00 N ATOM 130 CE2 TRP A 303 -7.164 -8.461 1.838 1.00 0.00 C ATOM 131 CE3 TRP A 303 -5.724 -6.610 1.263 1.00 0.00 C ATOM 132 CZ2 TRP A 303 -6.602 -8.563 3.107 1.00 0.00 C ATOM 133 CZ3 TRP A 303 -5.166 -6.711 2.520 1.00 0.00 C ATOM 134 CH2 TRP A 303 -5.604 -7.682 3.429 1.00 0.00 C ATOM 0 H TRP A 303 -9.919 -7.140 -1.865 1.00 0.00 H new ATOM 0 HA TRP A 303 -8.248 -5.053 -0.746 1.00 0.00 H new ATOM 0 HB2 TRP A 303 -7.622 -7.549 -2.385 1.00 0.00 H new ATOM 0 HB3 TRP A 303 -6.416 -6.513 -1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 303 -9.091 -9.113 -0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 303 -8.665 -9.967 1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -5.379 -5.859 0.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -6.940 -9.309 3.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -4.379 -6.030 2.808 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -5.145 -7.737 4.405 1.00 0.00 H new ATOM 144 N GLU A 304 -7.130 -4.083 -2.830 1.00 0.00 N ATOM 145 CA GLU A 304 -6.738 -3.288 -3.982 1.00 0.00 C ATOM 146 C GLU A 304 -5.237 -3.050 -3.968 1.00 0.00 C ATOM 147 O GLU A 304 -4.617 -2.990 -2.904 1.00 0.00 O ATOM 148 CB GLU A 304 -7.477 -1.953 -4.017 1.00 0.00 C ATOM 149 CG GLU A 304 -7.326 -1.234 -5.346 1.00 0.00 C ATOM 150 CD GLU A 304 -7.997 0.125 -5.359 1.00 0.00 C ATOM 151 OE1 GLU A 304 -9.039 0.279 -4.688 1.00 0.00 O ATOM 152 OE2 GLU A 304 -7.481 1.035 -6.040 1.00 0.00 O ATOM 0 H GLU A 304 -6.558 -3.929 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 304 -7.007 -3.846 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 304 -8.535 -2.123 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 304 -7.102 -1.314 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 304 -6.266 -1.113 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 304 -7.750 -1.851 -6.138 1.00 0.00 H new ATOM 157 N ILE A 305 -4.654 -2.913 -5.149 1.00 0.00 N ATOM 158 CA ILE A 305 -3.223 -2.695 -5.268 1.00 0.00 C ATOM 159 C ILE A 305 -2.890 -1.214 -5.420 1.00 0.00 C ATOM 160 O ILE A 305 -3.540 -0.490 -6.175 1.00 0.00 O ATOM 161 CB ILE A 305 -2.646 -3.477 -6.460 1.00 0.00 C ATOM 162 CG1 ILE A 305 -2.935 -4.969 -6.288 1.00 0.00 C ATOM 163 CG2 ILE A 305 -1.151 -3.227 -6.592 1.00 0.00 C ATOM 164 CD1 ILE A 305 -2.267 -5.840 -7.326 1.00 0.00 C ATOM 0 H ILE A 305 -5.151 -2.949 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 305 -2.768 -3.058 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 305 -3.125 -3.131 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -2.606 -5.282 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -4.012 -5.129 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -0.762 -3.789 -7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -0.972 -2.163 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -0.646 -3.549 -5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -2.517 -6.884 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.615 -5.555 -8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.186 -5.710 -7.269 1.00 0.00 H new ATOM 175 N ARG A 306 -1.869 -0.778 -4.693 1.00 0.00 N ATOM 176 CA ARG A 306 -1.424 0.607 -4.732 1.00 0.00 C ATOM 177 C ARG A 306 0.077 0.680 -4.468 1.00 0.00 C ATOM 178 O ARG A 306 0.717 -0.342 -4.229 1.00 0.00 O ATOM 179 CB ARG A 306 -2.186 1.439 -3.699 1.00 0.00 C ATOM 180 CG ARG A 306 -3.467 2.052 -4.239 1.00 0.00 C ATOM 181 CD ARG A 306 -4.271 2.718 -3.136 1.00 0.00 C ATOM 182 NE ARG A 306 -5.673 2.308 -3.146 1.00 0.00 N ATOM 183 CZ ARG A 306 -6.588 2.847 -3.945 1.00 0.00 C ATOM 184 NH1 ARG A 306 -6.239 3.776 -4.824 1.00 0.00 N ATOM 185 NH2 ARG A 306 -7.851 2.452 -3.871 1.00 0.00 N ATOM 0 H ARG A 306 -1.329 -1.372 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 306 -1.627 1.014 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 306 -2.427 0.809 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 306 -1.537 2.235 -3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 306 -3.225 2.785 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 306 -4.070 1.278 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 306 -3.830 2.473 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 306 -4.211 3.800 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 306 -5.965 1.569 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 306 -5.267 4.078 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 306 -6.943 4.189 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 306 -8.122 1.733 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 306 -8.552 2.867 -4.485 1.00 0.00 H new ATOM 196 N ASN A 307 0.640 1.880 -4.515 1.00 0.00 N ATOM 197 CA ASN A 307 2.069 2.049 -4.276 1.00 0.00 C ATOM 198 C ASN A 307 2.329 3.110 -3.215 1.00 0.00 C ATOM 199 O ASN A 307 1.484 3.968 -2.956 1.00 0.00 O ATOM 200 CB ASN A 307 2.786 2.418 -5.573 1.00 0.00 C ATOM 201 CG ASN A 307 2.561 1.392 -6.667 1.00 0.00 C ATOM 202 OD1 ASN A 307 1.434 1.183 -7.115 1.00 0.00 O ATOM 203 ND2 ASN A 307 3.636 0.746 -7.103 1.00 0.00 N ATOM 0 H ASN A 307 0.136 2.744 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 307 2.461 1.100 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 307 2.436 3.392 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 307 3.855 2.512 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 307 3.546 0.045 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 307 4.552 0.951 -6.703 1.00 0.00 H new ATOM 209 N THR A 308 3.509 3.050 -2.608 1.00 0.00 N ATOM 210 CA THR A 308 3.880 3.999 -1.566 1.00 0.00 C ATOM 211 C THR A 308 4.885 5.015 -2.094 1.00 0.00 C ATOM 212 O THR A 308 4.716 6.224 -1.925 1.00 0.00 O ATOM 213 CB THR A 308 4.492 3.290 -0.342 1.00 0.00 C ATOM 214 OG1 THR A 308 5.811 2.823 -0.653 1.00 0.00 O ATOM 215 CG2 THR A 308 3.628 2.119 0.099 1.00 0.00 C ATOM 0 H THR A 308 4.224 2.354 -2.820 1.00 0.00 H new ATOM 0 HA THR A 308 2.965 4.506 -1.261 1.00 0.00 H new ATOM 0 HB THR A 308 4.543 4.010 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 308 6.193 2.375 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 308 4.083 1.637 0.964 1.00 0.00 H new ATOM 0 HG22 THR A 308 2.635 2.480 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 308 3.546 1.400 -0.716 1.00 0.00 H new ATOM 223 N ALA A 309 5.931 4.511 -2.733 1.00 0.00 N ATOM 224 CA ALA A 309 6.973 5.359 -3.292 1.00 0.00 C ATOM 225 C ALA A 309 8.092 4.512 -3.883 1.00 0.00 C ATOM 226 O ALA A 309 8.371 3.414 -3.403 1.00 0.00 O ATOM 227 CB ALA A 309 7.515 6.296 -2.226 1.00 0.00 C ATOM 0 H ALA A 309 6.081 3.512 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 309 6.542 5.959 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 309 8.294 6.925 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 309 6.708 6.924 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 309 7.933 5.712 -1.406 1.00 0.00 H new ATOM 233 N THR A 310 8.731 5.025 -4.925 1.00 0.00 N ATOM 234 CA THR A 310 9.809 4.301 -5.584 1.00 0.00 C ATOM 235 C THR A 310 9.290 3.026 -6.251 1.00 0.00 C ATOM 236 O THR A 310 10.073 2.167 -6.657 1.00 0.00 O ATOM 237 CB THR A 310 10.925 3.929 -4.589 1.00 0.00 C ATOM 238 OG1 THR A 310 11.160 5.016 -3.686 1.00 0.00 O ATOM 239 CG2 THR A 310 12.214 3.588 -5.322 1.00 0.00 C ATOM 0 H THR A 310 8.523 5.937 -5.331 1.00 0.00 H new ATOM 0 HA THR A 310 10.217 4.965 -6.346 1.00 0.00 H new ATOM 0 HB THR A 310 10.601 3.053 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 310 11.869 4.770 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 310 12.987 3.329 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 310 12.041 2.742 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 310 12.539 4.449 -5.907 1.00 0.00 H new ATOM 247 N GLY A 311 7.966 2.907 -6.362 1.00 0.00 N ATOM 248 CA GLY A 311 7.373 1.738 -6.981 1.00 0.00 C ATOM 249 C GLY A 311 6.886 0.716 -5.974 1.00 0.00 C ATOM 250 O GLY A 311 6.110 -0.175 -6.319 1.00 0.00 O ATOM 0 H GLY A 311 7.296 3.602 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 311 6.537 2.050 -7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 311 8.106 1.271 -7.639 1.00 0.00 H new ATOM 254 N ARG A 312 7.333 0.838 -4.727 1.00 0.00 N ATOM 255 CA ARG A 312 6.915 -0.093 -3.684 1.00 0.00 C ATOM 256 C ARG A 312 5.403 -0.183 -3.638 1.00 0.00 C ATOM 257 O ARG A 312 4.707 0.832 -3.596 1.00 0.00 O ATOM 258 CB ARG A 312 7.463 0.316 -2.312 1.00 0.00 C ATOM 259 CG ARG A 312 8.439 -0.688 -1.722 1.00 0.00 C ATOM 260 CD ARG A 312 8.791 -0.343 -0.282 1.00 0.00 C ATOM 261 NE ARG A 312 9.971 -1.065 0.182 1.00 0.00 N ATOM 262 CZ ARG A 312 11.209 -0.783 -0.212 1.00 0.00 C ATOM 263 NH1 ARG A 312 11.423 0.199 -1.078 1.00 0.00 N ATOM 264 NH2 ARG A 312 12.232 -1.484 0.257 1.00 0.00 N ATOM 0 H ARG A 312 7.978 1.565 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 312 7.325 -1.073 -3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 312 7.959 1.282 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 312 6.630 0.448 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 312 8.004 -1.687 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 312 9.347 -0.711 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 312 8.967 0.730 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 312 7.945 -0.578 0.364 1.00 0.00 H new ATOM 0 HE ARG A 312 9.839 -1.828 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 312 10.637 0.738 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 312 12.373 0.415 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 312 12.070 -2.241 0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 312 13.181 -1.266 -0.046 1.00 0.00 H new ATOM 275 N VAL A 313 4.902 -1.406 -3.643 1.00 0.00 N ATOM 276 CA VAL A 313 3.470 -1.633 -3.630 1.00 0.00 C ATOM 277 C VAL A 313 2.942 -1.910 -2.251 1.00 0.00 C ATOM 278 O VAL A 313 3.686 -2.062 -1.285 1.00 0.00 O ATOM 279 CB VAL A 313 3.036 -2.834 -4.505 1.00 0.00 C ATOM 280 CG1 VAL A 313 1.959 -2.399 -5.460 1.00 0.00 C ATOM 281 CG2 VAL A 313 4.200 -3.473 -5.237 1.00 0.00 C ATOM 0 H VAL A 313 5.466 -2.256 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 313 3.059 -0.705 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 313 2.639 -3.604 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 313 1.655 -3.246 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 313 1.101 -2.032 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 313 2.340 -1.604 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 313 3.839 -4.310 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 313 4.668 -2.736 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 313 4.931 -3.834 -4.513 1.00 0.00 H new ATOM 291 N TYR A 314 1.628 -1.975 -2.194 1.00 0.00 N ATOM 292 CA TYR A 314 0.939 -2.322 -0.986 1.00 0.00 C ATOM 293 C TYR A 314 -0.518 -2.582 -1.264 1.00 0.00 C ATOM 294 O TYR A 314 -1.117 -1.972 -2.150 1.00 0.00 O ATOM 295 CB TYR A 314 1.094 -1.282 0.119 1.00 0.00 C ATOM 296 CG TYR A 314 0.226 -0.050 -0.024 1.00 0.00 C ATOM 297 CD1 TYR A 314 0.573 0.975 -0.894 1.00 0.00 C ATOM 298 CD2 TYR A 314 -0.936 0.091 0.726 1.00 0.00 C ATOM 299 CE1 TYR A 314 -0.214 2.103 -1.016 1.00 0.00 C ATOM 300 CE2 TYR A 314 -1.731 1.218 0.608 1.00 0.00 C ATOM 301 CZ TYR A 314 -1.365 2.220 -0.267 1.00 0.00 C ATOM 302 OH TYR A 314 -2.152 3.343 -0.388 1.00 0.00 O ATOM 0 H TYR A 314 1.015 -1.787 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 314 1.407 -3.235 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 314 0.869 -1.755 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 314 2.137 -0.969 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 314 1.473 0.889 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 314 -1.223 -0.692 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 314 0.072 2.891 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 314 -2.631 1.312 1.197 1.00 0.00 H new ATOM 0 HH TYR A 314 -2.926 3.266 0.208 1.00 0.00 H new ATOM 311 N PHE A 315 -1.088 -3.492 -0.500 1.00 0.00 N ATOM 312 CA PHE A 315 -2.471 -3.843 -0.684 1.00 0.00 C ATOM 313 C PHE A 315 -3.352 -3.199 0.368 1.00 0.00 C ATOM 314 O PHE A 315 -2.996 -3.130 1.543 1.00 0.00 O ATOM 315 CB PHE A 315 -2.634 -5.361 -0.689 1.00 0.00 C ATOM 316 CG PHE A 315 -1.993 -6.014 -1.880 1.00 0.00 C ATOM 317 CD1 PHE A 315 -0.617 -5.975 -2.054 1.00 0.00 C ATOM 318 CD2 PHE A 315 -2.767 -6.655 -2.828 1.00 0.00 C ATOM 319 CE1 PHE A 315 -0.026 -6.566 -3.156 1.00 0.00 C ATOM 320 CE2 PHE A 315 -2.185 -7.249 -3.933 1.00 0.00 C ATOM 321 CZ PHE A 315 -0.813 -7.203 -4.098 1.00 0.00 C ATOM 0 H PHE A 315 -0.613 -3.996 0.249 1.00 0.00 H new ATOM 0 HA PHE A 315 -2.794 -3.458 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 315 -2.198 -5.771 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 315 -3.696 -5.607 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 315 -0.000 -5.477 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 315 -3.839 -6.693 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 315 1.046 -6.530 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 315 -2.801 -7.748 -4.666 1.00 0.00 H new ATOM 0 HZ PHE A 315 -0.357 -7.664 -4.961 1.00 0.00 H new ATOM 330 N VAL A 316 -4.506 -2.730 -0.079 1.00 0.00 N ATOM 331 CA VAL A 316 -5.454 -2.069 0.798 1.00 0.00 C ATOM 332 C VAL A 316 -6.706 -2.915 0.991 1.00 0.00 C ATOM 333 O VAL A 316 -7.438 -3.184 0.037 1.00 0.00 O ATOM 334 CB VAL A 316 -5.852 -0.690 0.235 1.00 0.00 C ATOM 335 CG1 VAL A 316 -6.467 0.170 1.321 1.00 0.00 C ATOM 336 CG2 VAL A 316 -4.651 0.009 -0.386 1.00 0.00 C ATOM 0 H VAL A 316 -4.808 -2.797 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 316 -4.966 -1.936 1.763 1.00 0.00 H new ATOM 0 HB VAL A 316 -6.596 -0.843 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 316 -6.742 1.140 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 316 -7.357 -0.322 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 316 -5.745 0.311 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 316 -4.957 0.980 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 316 -3.880 0.149 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 316 -4.255 -0.600 -1.199 1.00 0.00 H new ATOM 346 N ASP A 317 -6.939 -3.340 2.228 1.00 0.00 N ATOM 347 CA ASP A 317 -8.105 -4.154 2.550 1.00 0.00 C ATOM 348 C ASP A 317 -9.291 -3.269 2.910 1.00 0.00 C ATOM 349 O ASP A 317 -9.319 -2.656 3.978 1.00 0.00 O ATOM 350 CB ASP A 317 -7.795 -5.101 3.708 1.00 0.00 C ATOM 351 CG ASP A 317 -8.529 -6.421 3.585 1.00 0.00 C ATOM 352 OD1 ASP A 317 -9.190 -6.638 2.548 1.00 0.00 O ATOM 353 OD2 ASP A 317 -8.443 -7.238 4.525 1.00 0.00 O ATOM 0 H ASP A 317 -6.336 -3.134 3.024 1.00 0.00 H new ATOM 0 HA ASP A 317 -8.360 -4.745 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 317 -6.722 -5.287 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 317 -8.068 -4.623 4.649 1.00 0.00 H new ATOM 357 N HIS A 318 -10.265 -3.207 2.012 1.00 0.00 N ATOM 358 CA HIS A 318 -11.455 -2.396 2.229 1.00 0.00 C ATOM 359 C HIS A 318 -12.445 -3.089 3.169 1.00 0.00 C ATOM 360 O HIS A 318 -13.415 -2.477 3.615 1.00 0.00 O ATOM 361 CB HIS A 318 -12.117 -2.078 0.891 1.00 0.00 C ATOM 362 CG HIS A 318 -11.396 -1.011 0.132 1.00 0.00 C ATOM 363 ND1 HIS A 318 -11.394 0.290 0.567 1.00 0.00 N ATOM 364 CD2 HIS A 318 -10.646 -1.103 -0.994 1.00 0.00 C ATOM 365 CE1 HIS A 318 -10.648 0.959 -0.291 1.00 0.00 C ATOM 366 NE2 HIS A 318 -10.173 0.157 -1.258 1.00 0.00 N ATOM 0 H HIS A 318 -10.254 -3.710 1.125 1.00 0.00 H new ATOM 0 HA HIS A 318 -11.149 -1.465 2.707 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -12.159 -2.984 0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -13.146 -1.763 1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -10.458 -1.996 -1.571 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -10.445 2.018 -0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -9.576 0.432 -2.038 1.00 0.00 H new ATOM 373 N ASN A 319 -12.198 -4.365 3.467 1.00 0.00 N ATOM 374 CA ASN A 319 -13.070 -5.118 4.363 1.00 0.00 C ATOM 375 C ASN A 319 -12.639 -4.924 5.813 1.00 0.00 C ATOM 376 O ASN A 319 -13.444 -4.548 6.666 1.00 0.00 O ATOM 377 CB ASN A 319 -13.045 -6.605 4.006 1.00 0.00 C ATOM 378 CG ASN A 319 -13.032 -6.841 2.509 1.00 0.00 C ATOM 379 OD1 ASN A 319 -13.618 -6.075 1.743 1.00 0.00 O ATOM 380 ND2 ASN A 319 -12.362 -7.905 2.083 1.00 0.00 N ATOM 0 H ASN A 319 -11.406 -4.894 3.103 1.00 0.00 H new ATOM 0 HA ASN A 319 -14.087 -4.745 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -12.164 -7.068 4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -13.917 -7.095 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -12.318 -8.115 1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -11.891 -8.513 2.753 1.00 0.00 H new ATOM 386 N ASN A 320 -11.364 -5.186 6.086 1.00 0.00 N ATOM 387 CA ASN A 320 -10.822 -5.034 7.431 1.00 0.00 C ATOM 388 C ASN A 320 -10.302 -3.614 7.659 1.00 0.00 C ATOM 389 O ASN A 320 -10.059 -3.214 8.797 1.00 0.00 O ATOM 390 CB ASN A 320 -9.695 -6.040 7.672 1.00 0.00 C ATOM 391 CG ASN A 320 -10.122 -7.463 7.383 1.00 0.00 C ATOM 392 OD1 ASN A 320 -11.215 -7.886 7.760 1.00 0.00 O ATOM 393 ND2 ASN A 320 -9.258 -8.211 6.711 1.00 0.00 N ATOM 0 H ASN A 320 -10.687 -5.505 5.393 1.00 0.00 H new ATOM 0 HA ASN A 320 -11.630 -5.225 8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -8.842 -5.784 7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -9.361 -5.967 8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 320 -9.488 -9.179 6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -8.363 -7.818 6.418 1.00 0.00 H new ATOM 399 N ARG A 321 -10.126 -2.860 6.574 1.00 0.00 N ATOM 400 CA ARG A 321 -9.638 -1.490 6.666 1.00 0.00 C ATOM 401 C ARG A 321 -8.191 -1.458 7.148 1.00 0.00 C ATOM 402 O ARG A 321 -7.891 -0.907 8.207 1.00 0.00 O ATOM 403 CB ARG A 321 -10.525 -0.671 7.607 1.00 0.00 C ATOM 404 CG ARG A 321 -11.986 -0.645 7.190 1.00 0.00 C ATOM 405 CD ARG A 321 -12.883 -1.242 8.263 1.00 0.00 C ATOM 406 NE ARG A 321 -14.285 -0.889 8.061 1.00 0.00 N ATOM 407 CZ ARG A 321 -15.276 -1.349 8.818 1.00 0.00 C ATOM 408 NH1 ARG A 321 -15.019 -2.184 9.815 1.00 0.00 N ATOM 409 NH2 ARG A 321 -16.525 -0.976 8.576 1.00 0.00 N ATOM 0 H ARG A 321 -10.315 -3.177 5.623 1.00 0.00 H new ATOM 0 HA ARG A 321 -9.677 -1.049 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -10.450 -1.081 8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -10.149 0.351 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -12.290 0.383 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -12.110 -1.200 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -12.778 -2.327 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -12.558 -0.892 9.243 1.00 0.00 H new ATOM 0 HE ARG A 321 -14.517 -0.254 7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -14.059 -2.475 10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -15.781 -2.536 10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -16.726 -0.335 7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -17.285 -1.330 9.158 1.00 0.00 H new ATOM 420 N THR A 322 -7.298 -2.055 6.364 1.00 0.00 N ATOM 421 CA THR A 322 -5.883 -2.093 6.714 1.00 0.00 C ATOM 422 C THR A 322 -5.003 -2.111 5.471 1.00 0.00 C ATOM 423 O THR A 322 -5.461 -1.813 4.368 1.00 0.00 O ATOM 424 CB THR A 322 -5.547 -3.317 7.588 1.00 0.00 C ATOM 425 OG1 THR A 322 -4.199 -3.225 8.064 1.00 0.00 O ATOM 426 CG2 THR A 322 -5.724 -4.611 6.805 1.00 0.00 C ATOM 0 H THR A 322 -7.529 -2.518 5.485 1.00 0.00 H new ATOM 0 HA THR A 322 -5.680 -1.186 7.283 1.00 0.00 H new ATOM 0 HB THR A 322 -6.233 -3.327 8.435 1.00 0.00 H new ATOM 0 HG1 THR A 322 -3.994 -4.006 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 322 -5.481 -5.459 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 322 -6.758 -4.695 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 322 -5.061 -4.607 5.940 1.00 0.00 H new ATOM 434 N THR A 323 -3.736 -2.465 5.657 1.00 0.00 N ATOM 435 CA THR A 323 -2.788 -2.518 4.553 1.00 0.00 C ATOM 436 C THR A 323 -1.803 -3.667 4.722 1.00 0.00 C ATOM 437 O THR A 323 -1.754 -4.311 5.770 1.00 0.00 O ATOM 438 CB THR A 323 -1.993 -1.205 4.430 1.00 0.00 C ATOM 439 OG1 THR A 323 -1.569 -0.777 5.731 1.00 0.00 O ATOM 440 CG2 THR A 323 -2.839 -0.116 3.782 1.00 0.00 C ATOM 0 H THR A 323 -3.343 -2.719 6.563 1.00 0.00 H new ATOM 0 HA THR A 323 -3.375 -2.672 3.648 1.00 0.00 H new ATOM 0 HB THR A 323 -1.122 -1.385 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 323 -0.986 0.006 5.644 1.00 0.00 H new ATOM 0 HG21 THR A 323 -2.255 0.801 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 323 -3.143 -0.436 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 323 -3.725 0.067 4.390 1.00 0.00 H new ATOM 448 N GLN A 324 -1.019 -3.917 3.680 1.00 0.00 N ATOM 449 CA GLN A 324 -0.022 -4.980 3.705 1.00 0.00 C ATOM 450 C GLN A 324 0.660 -5.110 2.351 1.00 0.00 C ATOM 451 O GLN A 324 0.003 -5.265 1.323 1.00 0.00 O ATOM 452 CB GLN A 324 -0.654 -6.318 4.106 1.00 0.00 C ATOM 453 CG GLN A 324 -2.126 -6.441 3.746 1.00 0.00 C ATOM 454 CD GLN A 324 -2.582 -7.883 3.648 1.00 0.00 C ATOM 455 OE1 GLN A 324 -3.091 -8.452 4.614 1.00 0.00 O ATOM 456 NE2 GLN A 324 -2.399 -8.484 2.479 1.00 0.00 N ATOM 0 H GLN A 324 -1.055 -3.396 2.804 1.00 0.00 H new ATOM 0 HA GLN A 324 0.727 -4.715 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 324 -0.104 -7.126 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 324 -0.541 -6.453 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 324 -2.724 -5.924 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 324 -2.307 -5.941 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 324 -1.973 -7.975 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 324 -2.684 -9.455 2.355 1.00 0.00 H new ATOM 463 N PHE A 325 1.985 -5.060 2.360 1.00 0.00 N ATOM 464 CA PHE A 325 2.769 -5.165 1.135 1.00 0.00 C ATOM 465 C PHE A 325 2.560 -6.516 0.465 1.00 0.00 C ATOM 466 O PHE A 325 2.893 -6.695 -0.707 1.00 0.00 O ATOM 467 CB PHE A 325 4.256 -4.973 1.443 1.00 0.00 C ATOM 468 CG PHE A 325 4.701 -3.527 1.541 1.00 0.00 C ATOM 469 CD1 PHE A 325 3.812 -2.474 1.344 1.00 0.00 C ATOM 470 CD2 PHE A 325 6.026 -3.222 1.814 1.00 0.00 C ATOM 471 CE1 PHE A 325 4.236 -1.161 1.418 1.00 0.00 C ATOM 472 CE2 PHE A 325 6.451 -1.911 1.884 1.00 0.00 C ATOM 473 CZ PHE A 325 5.556 -0.881 1.686 1.00 0.00 C ATOM 0 H PHE A 325 2.543 -4.947 3.206 1.00 0.00 H new ATOM 0 HA PHE A 325 2.433 -4.383 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 325 4.486 -5.474 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 325 4.841 -5.467 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 325 2.775 -2.687 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 325 6.735 -4.021 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 325 3.532 -0.356 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 325 7.487 -1.691 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 325 5.891 0.144 1.741 1.00 0.00 H new ATOM 482 N THR A 326 2.007 -7.462 1.209 1.00 0.00 N ATOM 483 CA THR A 326 1.772 -8.791 0.686 1.00 0.00 C ATOM 484 C THR A 326 0.465 -8.888 -0.086 1.00 0.00 C ATOM 485 O THR A 326 -0.522 -8.233 0.251 1.00 0.00 O ATOM 486 CB THR A 326 1.754 -9.823 1.817 1.00 0.00 C ATOM 487 OG1 THR A 326 2.494 -9.337 2.944 1.00 0.00 O ATOM 488 CG2 THR A 326 2.353 -11.122 1.333 1.00 0.00 C ATOM 0 H THR A 326 1.714 -7.330 2.177 1.00 0.00 H new ATOM 0 HA THR A 326 2.593 -9.000 -0.000 1.00 0.00 H new ATOM 0 HB THR A 326 0.721 -9.994 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 326 2.474 -10.005 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 326 2.338 -11.853 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 326 1.772 -11.499 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 326 3.382 -10.952 1.016 1.00 0.00 H new ATOM 496 N ASP A 327 0.471 -9.713 -1.128 1.00 0.00 N ATOM 497 CA ASP A 327 -0.714 -9.922 -1.944 1.00 0.00 C ATOM 498 C ASP A 327 -1.574 -11.027 -1.330 1.00 0.00 C ATOM 499 O ASP A 327 -1.124 -12.165 -1.200 1.00 0.00 O ATOM 500 CB ASP A 327 -0.314 -10.298 -3.372 1.00 0.00 C ATOM 501 CG ASP A 327 -1.480 -10.227 -4.339 1.00 0.00 C ATOM 502 OD1 ASP A 327 -2.638 -10.237 -3.873 1.00 0.00 O ATOM 503 OD2 ASP A 327 -1.234 -10.162 -5.562 1.00 0.00 O ATOM 0 H ASP A 327 1.287 -10.248 -1.426 1.00 0.00 H new ATOM 0 HA ASP A 327 -1.290 -8.997 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 327 0.477 -9.630 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 327 0.097 -11.307 -3.377 1.00 0.00 H new ATOM 507 N PRO A 328 -2.821 -10.714 -0.945 1.00 0.00 N ATOM 508 CA PRO A 328 -3.723 -11.692 -0.329 1.00 0.00 C ATOM 509 C PRO A 328 -3.879 -12.940 -1.182 1.00 0.00 C ATOM 510 O PRO A 328 -4.241 -14.005 -0.683 1.00 0.00 O ATOM 511 CB PRO A 328 -5.059 -10.949 -0.213 1.00 0.00 C ATOM 512 CG PRO A 328 -4.922 -9.753 -1.091 1.00 0.00 C ATOM 513 CD PRO A 328 -3.462 -9.405 -1.096 1.00 0.00 C ATOM 0 HA PRO A 328 -3.343 -12.042 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 328 -5.889 -11.579 -0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 328 -5.259 -10.659 0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 328 -5.275 -9.968 -2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 328 -5.519 -8.923 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 328 -3.166 -8.913 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 328 -3.203 -8.730 -0.280 1.00 0.00 H new ATOM 518 N ARG A 329 -3.606 -12.802 -2.474 1.00 0.00 N ATOM 519 CA ARG A 329 -3.714 -13.922 -3.393 1.00 0.00 C ATOM 520 C ARG A 329 -2.566 -14.904 -3.183 1.00 0.00 C ATOM 521 O ARG A 329 -2.737 -16.115 -3.327 1.00 0.00 O ATOM 522 CB ARG A 329 -3.713 -13.428 -4.841 1.00 0.00 C ATOM 523 CG ARG A 329 -4.812 -12.422 -5.143 1.00 0.00 C ATOM 524 CD ARG A 329 -5.458 -12.685 -6.494 1.00 0.00 C ATOM 525 NE ARG A 329 -5.710 -14.110 -6.706 1.00 0.00 N ATOM 526 CZ ARG A 329 -5.078 -14.880 -7.598 1.00 0.00 C ATOM 527 NH1 ARG A 329 -4.098 -14.401 -8.358 1.00 0.00 N ATOM 528 NH2 ARG A 329 -5.416 -16.157 -7.712 1.00 0.00 N ATOM 0 H ARG A 329 -3.309 -11.927 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 329 -4.655 -14.434 -3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 329 -2.747 -12.974 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 329 -3.822 -14.283 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 329 -5.571 -12.466 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 329 -4.397 -11.414 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 329 -6.397 -12.136 -6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 329 -4.811 -12.308 -7.286 1.00 0.00 H new ATOM 0 HE ARG A 329 -6.425 -14.552 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 329 -3.813 -13.426 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 329 -3.631 -15.009 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 329 -6.153 -16.544 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 329 -4.940 -16.752 -8.390 1.00 0.00 H new ATOM 539 N LEU A 330 -1.396 -14.371 -2.844 1.00 0.00 N ATOM 540 CA LEU A 330 -0.216 -15.197 -2.617 1.00 0.00 C ATOM 541 C LEU A 330 -0.495 -16.267 -1.567 1.00 0.00 C ATOM 542 O LEU A 330 0.050 -17.370 -1.630 1.00 0.00 O ATOM 543 CB LEU A 330 0.966 -14.329 -2.178 1.00 0.00 C ATOM 544 CG LEU A 330 1.896 -13.883 -3.309 1.00 0.00 C ATOM 545 CD1 LEU A 330 3.119 -13.177 -2.746 1.00 0.00 C ATOM 546 CD2 LEU A 330 2.311 -15.074 -4.159 1.00 0.00 C ATOM 0 H LEU A 330 -1.240 -13.371 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 330 0.036 -15.691 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 330 0.579 -13.443 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 330 1.551 -14.883 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 330 1.355 -13.180 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 330 3.769 -12.867 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 330 2.805 -12.300 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 330 3.662 -13.857 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 330 2.972 -14.738 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 330 2.834 -15.800 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 330 1.425 -15.538 -4.592 1.00 0.00 H new ATOM 557 N SER A 331 -1.347 -15.935 -0.603 1.00 0.00 N ATOM 558 CA SER A 331 -1.699 -16.867 0.463 1.00 0.00 C ATOM 559 C SER A 331 -3.193 -17.176 0.442 1.00 0.00 C ATOM 560 O SER A 331 -4.022 -16.276 0.300 1.00 0.00 O ATOM 561 CB SER A 331 -1.305 -16.292 1.823 1.00 0.00 C ATOM 562 OG SER A 331 0.096 -16.371 2.025 1.00 0.00 O ATOM 0 H SER A 331 -1.807 -15.027 -0.538 1.00 0.00 H new ATOM 0 HA SER A 331 -1.151 -17.794 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 331 -1.627 -15.253 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 331 -1.821 -16.836 2.614 1.00 0.00 H new ATOM 0 HG SER A 331 0.322 -15.995 2.901 1.00 0.00 H new ATOM 567 N ALA A 332 -3.531 -18.453 0.588 1.00 0.00 N ATOM 568 CA ALA A 332 -4.925 -18.880 0.586 1.00 0.00 C ATOM 569 C ALA A 332 -5.090 -20.207 1.318 1.00 0.00 C ATOM 570 O ALA A 332 -4.145 -20.718 1.918 1.00 0.00 O ATOM 571 CB ALA A 332 -5.439 -18.995 -0.845 1.00 0.00 C ATOM 0 H ALA A 332 -2.858 -19.210 0.709 1.00 0.00 H new ATOM 0 HA ALA A 332 -5.513 -18.128 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -6.481 -19.315 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -5.362 -18.026 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.841 -19.727 -1.389 1.00 0.00 H new ATOM 577 N ASN A 333 -6.298 -20.760 1.265 1.00 0.00 N ATOM 578 CA ASN A 333 -6.585 -22.030 1.923 1.00 0.00 C ATOM 579 C ASN A 333 -6.548 -23.180 0.923 1.00 0.00 C ATOM 580 O ASN A 333 -7.570 -23.401 0.239 1.00 0.00 O ATOM 581 CB ASN A 333 -7.952 -21.978 2.608 1.00 0.00 C ATOM 582 CG ASN A 333 -8.140 -23.102 3.609 1.00 0.00 C ATOM 583 OD1 ASN A 333 -7.250 -23.929 3.806 1.00 0.00 O ATOM 584 ND2 ASN A 333 -9.305 -23.139 4.246 1.00 0.00 N ATOM 585 OXT ASN A 333 -5.499 -23.850 0.830 1.00 0.00 O ATOM 0 H ASN A 333 -7.092 -20.349 0.774 1.00 0.00 H new ATOM 0 HA ASN A 333 -5.816 -22.202 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 333 -8.065 -21.020 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 333 -8.736 -22.033 1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 333 -9.490 -23.873 4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 333 -10.015 -22.433 4.052 1.00 0.00 H new TER 591 ASN A 333 ATOM 592 N GLY B 198 19.852 -13.568 3.457 1.00 0.00 N ATOM 593 CA GLY B 198 20.657 -12.823 2.450 1.00 0.00 C ATOM 594 C GLY B 198 19.930 -11.602 1.916 1.00 0.00 C ATOM 595 O GLY B 198 20.399 -10.476 2.085 1.00 0.00 O ATOM 0 HA2 GLY B 198 21.600 -12.513 2.900 1.00 0.00 H new ATOM 0 HA3 GLY B 198 20.903 -13.487 1.622 1.00 0.00 H new ATOM 601 N PRO B 199 18.772 -11.797 1.261 1.00 0.00 N ATOM 602 CA PRO B 199 17.985 -10.697 0.703 1.00 0.00 C ATOM 603 C PRO B 199 17.178 -9.961 1.767 1.00 0.00 C ATOM 604 O PRO B 199 16.869 -8.779 1.620 1.00 0.00 O ATOM 605 CB PRO B 199 17.056 -11.406 -0.279 1.00 0.00 C ATOM 606 CG PRO B 199 16.854 -12.759 0.313 1.00 0.00 C ATOM 607 CD PRO B 199 18.142 -13.108 1.014 1.00 0.00 C ATOM 0 HA PRO B 199 18.612 -9.930 0.248 1.00 0.00 H new ATOM 0 HB2 PRO B 199 16.111 -10.874 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO B 199 17.501 -11.469 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO B 199 16.018 -12.757 1.013 1.00 0.00 H new ATOM 0 HG3 PRO B 199 16.621 -13.491 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO B 199 17.959 -13.646 1.944 1.00 0.00 H new ATOM 0 HD3 PRO B 199 18.774 -13.746 0.396 1.00 0.00 H new ATOM 612 N LEU B 200 16.837 -10.670 2.838 1.00 0.00 N ATOM 613 CA LEU B 200 16.061 -10.086 3.926 1.00 0.00 C ATOM 614 C LEU B 200 16.882 -9.048 4.684 1.00 0.00 C ATOM 615 O LEU B 200 17.688 -9.389 5.550 1.00 0.00 O ATOM 616 CB LEU B 200 15.588 -11.178 4.886 1.00 0.00 C ATOM 617 CG LEU B 200 14.634 -10.704 5.983 1.00 0.00 C ATOM 618 CD1 LEU B 200 13.357 -11.530 5.971 1.00 0.00 C ATOM 619 CD2 LEU B 200 15.310 -10.780 7.344 1.00 0.00 C ATOM 0 H LEU B 200 17.086 -11.650 2.976 1.00 0.00 H new ATOM 0 HA LEU B 200 15.192 -9.590 3.493 1.00 0.00 H new ATOM 0 HB2 LEU B 200 15.094 -11.960 4.309 1.00 0.00 H new ATOM 0 HB3 LEU B 200 16.461 -11.632 5.355 1.00 0.00 H new ATOM 0 HG LEU B 200 14.371 -9.664 5.788 1.00 0.00 H new ATOM 0 HD11 LEU B 200 12.689 -11.179 6.758 1.00 0.00 H new ATOM 0 HD12 LEU B 200 12.865 -11.425 5.004 1.00 0.00 H new ATOM 0 HD13 LEU B 200 13.600 -12.579 6.142 1.00 0.00 H new ATOM 0 HD21 LEU B 200 14.618 -10.439 8.114 1.00 0.00 H new ATOM 0 HD22 LEU B 200 15.601 -11.810 7.548 1.00 0.00 H new ATOM 0 HD23 LEU B 200 16.196 -10.145 7.346 1.00 0.00 H new ATOM 630 N GLY B 201 16.669 -7.779 4.353 1.00 0.00 N ATOM 631 CA GLY B 201 17.394 -6.708 5.011 1.00 0.00 C ATOM 632 C GLY B 201 16.474 -5.753 5.747 1.00 0.00 C ATOM 633 O GLY B 201 16.498 -4.546 5.504 1.00 0.00 O ATOM 0 H GLY B 201 16.007 -7.473 3.640 1.00 0.00 H new ATOM 0 HA2 GLY B 201 18.108 -7.135 5.715 1.00 0.00 H new ATOM 0 HA3 GLY B 201 17.970 -6.154 4.270 1.00 0.00 H new ATOM 637 N SER B 202 15.662 -6.295 6.650 1.00 0.00 N ATOM 638 CA SER B 202 14.728 -5.485 7.423 1.00 0.00 C ATOM 639 C SER B 202 13.583 -4.987 6.546 1.00 0.00 C ATOM 640 O SER B 202 13.377 -5.480 5.438 1.00 0.00 O ATOM 641 CB SER B 202 15.451 -4.296 8.059 1.00 0.00 C ATOM 642 OG SER B 202 15.092 -4.149 9.422 1.00 0.00 O ATOM 0 H SER B 202 15.632 -7.292 6.864 1.00 0.00 H new ATOM 0 HA SER B 202 14.313 -6.112 8.212 1.00 0.00 H new ATOM 0 HB2 SER B 202 16.529 -4.436 7.977 1.00 0.00 H new ATOM 0 HB3 SER B 202 15.206 -3.384 7.515 1.00 0.00 H new ATOM 0 HG SER B 202 15.569 -3.383 9.805 1.00 0.00 H new ATOM 647 N GLU B 203 12.843 -4.006 7.051 1.00 0.00 N ATOM 648 CA GLU B 203 11.719 -3.436 6.316 1.00 0.00 C ATOM 649 C GLU B 203 10.558 -4.423 6.236 1.00 0.00 C ATOM 650 O GLU B 203 10.526 -5.419 6.957 1.00 0.00 O ATOM 651 CB GLU B 203 12.157 -3.033 4.905 1.00 0.00 C ATOM 652 CG GLU B 203 11.680 -1.650 4.492 1.00 0.00 C ATOM 653 CD GLU B 203 12.497 -0.538 5.121 1.00 0.00 C ATOM 654 OE1 GLU B 203 12.525 -0.452 6.366 1.00 0.00 O ATOM 655 OE2 GLU B 203 13.109 0.248 4.367 1.00 0.00 O ATOM 0 H GLU B 203 13.001 -3.588 7.968 1.00 0.00 H new ATOM 0 HA GLU B 203 11.381 -2.550 6.854 1.00 0.00 H new ATOM 0 HB2 GLU B 203 13.245 -3.065 4.848 1.00 0.00 H new ATOM 0 HB3 GLU B 203 11.779 -3.766 4.193 1.00 0.00 H new ATOM 0 HG2 GLU B 203 11.729 -1.562 3.407 1.00 0.00 H new ATOM 0 HG3 GLU B 203 10.634 -1.531 4.774 1.00 0.00 H new ATOM 660 N LEU B 204 9.607 -4.135 5.354 1.00 0.00 N ATOM 661 CA LEU B 204 8.438 -4.998 5.179 1.00 0.00 C ATOM 662 C LEU B 204 7.663 -5.130 6.489 1.00 0.00 C ATOM 663 O LEU B 204 8.156 -4.747 7.551 1.00 0.00 O ATOM 664 CB LEU B 204 8.869 -6.383 4.690 1.00 0.00 C ATOM 665 CG LEU B 204 8.626 -6.651 3.204 1.00 0.00 C ATOM 666 CD1 LEU B 204 7.157 -6.952 2.951 1.00 0.00 C ATOM 667 CD2 LEU B 204 9.081 -5.466 2.367 1.00 0.00 C ATOM 0 H LEU B 204 9.620 -3.314 4.749 1.00 0.00 H new ATOM 0 HA LEU B 204 7.787 -4.542 4.433 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.932 -6.510 4.897 1.00 0.00 H new ATOM 0 HB3 LEU B 204 8.339 -7.138 5.271 1.00 0.00 H new ATOM 0 HG LEU B 204 9.211 -7.523 2.911 1.00 0.00 H new ATOM 0 HD11 LEU B 204 7.002 -7.140 1.889 1.00 0.00 H new ATOM 0 HD12 LEU B 204 6.862 -7.832 3.522 1.00 0.00 H new ATOM 0 HD13 LEU B 204 6.552 -6.099 3.260 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.900 -5.675 1.313 1.00 0.00 H new ATOM 0 HD22 LEU B 204 8.523 -4.577 2.662 1.00 0.00 H new ATOM 0 HD23 LEU B 204 10.146 -5.296 2.526 1.00 0.00 H new ATOM 678 N GLU B 205 6.447 -5.674 6.412 1.00 0.00 N ATOM 679 CA GLU B 205 5.604 -5.853 7.596 1.00 0.00 C ATOM 680 C GLU B 205 5.646 -4.622 8.498 1.00 0.00 C ATOM 681 O GLU B 205 5.898 -4.728 9.699 1.00 0.00 O ATOM 682 CB GLU B 205 6.051 -7.087 8.381 1.00 0.00 C ATOM 683 CG GLU B 205 4.901 -7.858 9.009 1.00 0.00 C ATOM 684 CD GLU B 205 4.111 -8.658 7.991 1.00 0.00 C ATOM 685 OE1 GLU B 205 4.720 -9.135 7.010 1.00 0.00 O ATOM 686 OE2 GLU B 205 2.884 -8.807 8.175 1.00 0.00 O ATOM 0 H GLU B 205 6.024 -5.998 5.542 1.00 0.00 H new ATOM 0 HA GLU B 205 4.577 -5.992 7.257 1.00 0.00 H new ATOM 0 HB2 GLU B 205 6.602 -7.751 7.715 1.00 0.00 H new ATOM 0 HB3 GLU B 205 6.742 -6.778 9.166 1.00 0.00 H new ATOM 0 HG2 GLU B 205 5.293 -8.532 9.770 1.00 0.00 H new ATOM 0 HG3 GLU B 205 4.234 -7.160 9.514 1.00 0.00 H new ATOM 691 N SER B 206 5.397 -3.454 7.913 1.00 0.00 N ATOM 692 CA SER B 206 5.415 -2.201 8.669 1.00 0.00 C ATOM 693 C SER B 206 5.294 -0.962 7.771 1.00 0.00 C ATOM 694 O SER B 206 4.543 -0.039 8.088 1.00 0.00 O ATOM 695 CB SER B 206 6.698 -2.102 9.499 1.00 0.00 C ATOM 696 OG SER B 206 6.986 -0.756 9.835 1.00 0.00 O ATOM 0 H SER B 206 5.181 -3.347 6.922 1.00 0.00 H new ATOM 0 HA SER B 206 4.543 -2.219 9.323 1.00 0.00 H new ATOM 0 HB2 SER B 206 6.592 -2.693 10.409 1.00 0.00 H new ATOM 0 HB3 SER B 206 7.531 -2.526 8.938 1.00 0.00 H new ATOM 0 HG SER B 206 7.809 -0.720 10.366 1.00 0.00 H new ATOM 701 N PRO B 207 6.026 -0.915 6.640 1.00 0.00 N ATOM 702 CA PRO B 207 6.013 0.238 5.732 1.00 0.00 C ATOM 703 C PRO B 207 4.661 0.521 5.061 1.00 0.00 C ATOM 704 O PRO B 207 4.314 1.687 4.876 1.00 0.00 O ATOM 705 CB PRO B 207 7.083 -0.108 4.688 1.00 0.00 C ATOM 706 CG PRO B 207 7.885 -1.203 5.304 1.00 0.00 C ATOM 707 CD PRO B 207 6.914 -1.973 6.142 1.00 0.00 C ATOM 0 HA PRO B 207 6.207 1.157 6.286 1.00 0.00 H new ATOM 0 HB2 PRO B 207 6.630 -0.430 3.751 1.00 0.00 H new ATOM 0 HB3 PRO B 207 7.706 0.757 4.460 1.00 0.00 H new ATOM 0 HG2 PRO B 207 8.337 -1.837 4.542 1.00 0.00 H new ATOM 0 HG3 PRO B 207 8.698 -0.803 5.910 1.00 0.00 H new ATOM 0 HD2 PRO B 207 6.373 -2.717 5.558 1.00 0.00 H new ATOM 0 HD3 PRO B 207 7.410 -2.504 6.954 1.00 0.00 H new ATOM 712 N PRO B 208 3.874 -0.511 4.678 1.00 0.00 N ATOM 713 CA PRO B 208 2.589 -0.294 4.028 1.00 0.00 C ATOM 714 C PRO B 208 1.797 0.843 4.656 1.00 0.00 C ATOM 715 O PRO B 208 1.461 0.784 5.838 1.00 0.00 O ATOM 716 CB PRO B 208 1.843 -1.609 4.220 1.00 0.00 C ATOM 717 CG PRO B 208 2.894 -2.644 4.432 1.00 0.00 C ATOM 718 CD PRO B 208 4.170 -1.940 4.824 1.00 0.00 C ATOM 0 HA PRO B 208 2.724 -0.014 2.983 1.00 0.00 H new ATOM 0 HB2 PRO B 208 1.169 -1.555 5.075 1.00 0.00 H new ATOM 0 HB3 PRO B 208 1.233 -1.844 3.348 1.00 0.00 H new ATOM 0 HG2 PRO B 208 2.589 -3.342 5.211 1.00 0.00 H new ATOM 0 HG3 PRO B 208 3.044 -3.226 3.523 1.00 0.00 H new ATOM 0 HD2 PRO B 208 4.456 -2.181 5.848 1.00 0.00 H new ATOM 0 HD3 PRO B 208 4.999 -2.239 4.183 1.00 0.00 H new ATOM 723 N PRO B 209 1.533 1.916 3.886 1.00 0.00 N ATOM 724 CA PRO B 209 0.750 3.061 4.351 1.00 0.00 C ATOM 725 C PRO B 209 -0.525 2.631 5.076 1.00 0.00 C ATOM 726 O PRO B 209 -0.741 1.446 5.320 1.00 0.00 O ATOM 727 CB PRO B 209 0.408 3.808 3.052 1.00 0.00 C ATOM 728 CG PRO B 209 0.925 2.964 1.941 1.00 0.00 C ATOM 729 CD PRO B 209 2.011 2.138 2.517 1.00 0.00 C ATOM 0 HA PRO B 209 1.297 3.667 5.073 1.00 0.00 H new ATOM 0 HB2 PRO B 209 -0.668 3.957 2.960 1.00 0.00 H new ATOM 0 HB3 PRO B 209 0.869 4.796 3.038 1.00 0.00 H new ATOM 0 HG2 PRO B 209 0.135 2.336 1.530 1.00 0.00 H new ATOM 0 HG3 PRO B 209 1.298 3.582 1.124 1.00 0.00 H new ATOM 0 HD2 PRO B 209 2.143 1.202 1.974 1.00 0.00 H new ATOM 0 HD3 PRO B 209 2.970 2.655 2.499 1.00 0.00 H new ATOM 734 N PRO B 210 -1.412 3.580 5.401 1.00 0.00 N ATOM 735 CA PRO B 210 -2.641 3.282 6.110 1.00 0.00 C ATOM 736 C PRO B 210 -3.779 2.930 5.169 1.00 0.00 C ATOM 737 O PRO B 210 -3.737 3.252 3.982 1.00 0.00 O ATOM 738 CB PRO B 210 -2.929 4.588 6.837 1.00 0.00 C ATOM 739 CG PRO B 210 -2.347 5.659 5.967 1.00 0.00 C ATOM 740 CD PRO B 210 -1.320 5.006 5.068 1.00 0.00 C ATOM 0 HA PRO B 210 -2.546 2.417 6.767 1.00 0.00 H new ATOM 0 HB2 PRO B 210 -4.000 4.733 6.976 1.00 0.00 H new ATOM 0 HB3 PRO B 210 -2.475 4.595 7.828 1.00 0.00 H new ATOM 0 HG2 PRO B 210 -3.127 6.137 5.374 1.00 0.00 H new ATOM 0 HG3 PRO B 210 -1.885 6.438 6.574 1.00 0.00 H new ATOM 0 HD2 PRO B 210 -1.540 5.185 4.015 1.00 0.00 H new ATOM 0 HD3 PRO B 210 -0.320 5.396 5.256 1.00 0.00 H new ATOM 745 N TYR B 211 -4.798 2.266 5.702 1.00 0.00 N ATOM 746 CA TYR B 211 -5.950 1.879 4.901 1.00 0.00 C ATOM 747 C TYR B 211 -6.483 3.080 4.120 1.00 0.00 C ATOM 748 O TYR B 211 -6.255 3.198 2.916 1.00 0.00 O ATOM 749 CB TYR B 211 -7.054 1.291 5.796 1.00 0.00 C ATOM 750 CG TYR B 211 -8.414 1.219 5.131 1.00 0.00 C ATOM 751 CD1 TYR B 211 -8.559 0.643 3.878 1.00 0.00 C ATOM 752 CD2 TYR B 211 -9.543 1.741 5.749 1.00 0.00 C ATOM 753 CE1 TYR B 211 -9.793 0.587 3.255 1.00 0.00 C ATOM 754 CE2 TYR B 211 -10.781 1.685 5.136 1.00 0.00 C ATOM 755 CZ TYR B 211 -10.900 1.108 3.890 1.00 0.00 C ATOM 756 OH TYR B 211 -12.131 1.054 3.275 1.00 0.00 O ATOM 0 H TYR B 211 -4.849 1.986 6.681 1.00 0.00 H new ATOM 0 HA TYR B 211 -5.636 1.114 4.191 1.00 0.00 H new ATOM 0 HB2 TYR B 211 -6.760 0.289 6.107 1.00 0.00 H new ATOM 0 HB3 TYR B 211 -7.135 1.895 6.700 1.00 0.00 H new ATOM 0 HD1 TYR B 211 -7.694 0.231 3.380 1.00 0.00 H new ATOM 0 HD2 TYR B 211 -9.452 2.198 6.723 1.00 0.00 H new ATOM 0 HE1 TYR B 211 -9.888 0.138 2.277 1.00 0.00 H new ATOM 0 HE2 TYR B 211 -11.651 2.091 5.631 1.00 0.00 H new ATOM 0 HH TYR B 211 -12.018 0.786 2.339 1.00 0.00 H new ATOM 765 N SER B 212 -7.181 3.968 4.820 1.00 0.00 N ATOM 766 CA SER B 212 -7.752 5.154 4.198 1.00 0.00 C ATOM 767 C SER B 212 -8.628 4.766 3.010 1.00 0.00 C ATOM 768 O SER B 212 -9.834 4.589 3.163 1.00 0.00 O ATOM 769 CB SER B 212 -6.647 6.114 3.754 1.00 0.00 C ATOM 770 OG SER B 212 -7.173 7.173 2.975 1.00 0.00 O ATOM 0 H SER B 212 -7.364 3.887 5.820 1.00 0.00 H new ATOM 0 HA SER B 212 -8.374 5.661 4.936 1.00 0.00 H new ATOM 0 HB2 SER B 212 -6.140 6.520 4.630 1.00 0.00 H new ATOM 0 HB3 SER B 212 -5.899 5.570 3.176 1.00 0.00 H new ATOM 0 HG SER B 212 -6.982 8.028 3.414 1.00 0.00 H new ATOM 775 N ARG B 213 -8.011 4.629 1.834 1.00 0.00 N ATOM 776 CA ARG B 213 -8.726 4.253 0.613 1.00 0.00 C ATOM 777 C ARG B 213 -7.847 4.483 -0.610 1.00 0.00 C ATOM 778 O ARG B 213 -7.492 3.543 -1.322 1.00 0.00 O ATOM 779 CB ARG B 213 -10.019 5.057 0.467 1.00 0.00 C ATOM 780 CG ARG B 213 -11.252 4.325 0.966 1.00 0.00 C ATOM 781 CD ARG B 213 -12.147 3.881 -0.179 1.00 0.00 C ATOM 782 NE ARG B 213 -13.378 4.664 -0.247 1.00 0.00 N ATOM 783 CZ ARG B 213 -14.407 4.492 0.576 1.00 0.00 C ATOM 784 NH1 ARG B 213 -14.355 3.563 1.520 1.00 0.00 N ATOM 785 NH2 ARG B 213 -15.490 5.248 0.453 1.00 0.00 N ATOM 0 H ARG B 213 -7.010 4.774 1.702 1.00 0.00 H new ATOM 0 HA ARG B 213 -8.975 3.194 0.686 1.00 0.00 H new ATOM 0 HB2 ARG B 213 -9.917 5.994 1.014 1.00 0.00 H new ATOM 0 HB3 ARG B 213 -10.160 5.314 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG B 213 -10.948 3.455 1.548 1.00 0.00 H new ATOM 0 HG3 ARG B 213 -11.815 4.975 1.636 1.00 0.00 H new ATOM 0 HD2 ARG B 213 -11.605 3.975 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG B 213 -12.394 2.826 -0.058 1.00 0.00 H new ATOM 0 HE ARG B 213 -13.452 5.383 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG B 213 -13.524 2.979 1.616 1.00 0.00 H new ATOM 0 HH12 ARG B 213 -15.146 3.432 2.151 1.00 0.00 H new ATOM 0 HH21 ARG B 213 -15.534 5.962 -0.274 1.00 0.00 H new ATOM 0 HH22 ARG B 213 -16.279 5.115 1.085 1.00 0.00 H new ATOM 796 N TYR B 214 -7.503 5.744 -0.843 1.00 0.00 N ATOM 797 CA TYR B 214 -6.663 6.119 -1.975 1.00 0.00 C ATOM 798 C TYR B 214 -5.209 5.738 -1.719 1.00 0.00 C ATOM 799 O TYR B 214 -4.870 5.229 -0.651 1.00 0.00 O ATOM 800 CB TYR B 214 -6.758 7.628 -2.238 1.00 0.00 C ATOM 801 CG TYR B 214 -8.084 8.238 -1.855 1.00 0.00 C ATOM 802 CD1 TYR B 214 -9.269 7.556 -2.084 1.00 0.00 C ATOM 803 CD2 TYR B 214 -8.149 9.494 -1.270 1.00 0.00 C ATOM 804 CE1 TYR B 214 -10.485 8.109 -1.741 1.00 0.00 C ATOM 805 CE2 TYR B 214 -9.361 10.055 -0.922 1.00 0.00 C ATOM 806 CZ TYR B 214 -10.528 9.359 -1.159 1.00 0.00 C ATOM 807 OH TYR B 214 -11.740 9.914 -0.816 1.00 0.00 O ATOM 0 H TYR B 214 -7.795 6.528 -0.260 1.00 0.00 H new ATOM 0 HA TYR B 214 -7.021 5.579 -2.851 1.00 0.00 H new ATOM 0 HB2 TYR B 214 -5.965 8.133 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR B 214 -6.577 7.813 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR B 214 -9.240 6.577 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR B 214 -7.237 10.042 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR B 214 -11.400 7.566 -1.927 1.00 0.00 H new ATOM 0 HE2 TYR B 214 -9.395 11.034 -0.467 1.00 0.00 H new ATOM 0 HH TYR B 214 -11.594 10.797 -0.416 1.00 0.00 H new ATOM 816 N PRO B 215 -4.331 5.981 -2.705 1.00 0.00 N ATOM 817 CA PRO B 215 -2.917 5.687 -2.577 1.00 0.00 C ATOM 818 C PRO B 215 -2.296 6.618 -1.560 1.00 0.00 C ATOM 819 O PRO B 215 -2.474 7.835 -1.620 1.00 0.00 O ATOM 820 CB PRO B 215 -2.333 5.921 -3.975 1.00 0.00 C ATOM 821 CG PRO B 215 -3.485 6.257 -4.868 1.00 0.00 C ATOM 822 CD PRO B 215 -4.659 6.587 -3.987 1.00 0.00 C ATOM 0 HA PRO B 215 -2.725 4.670 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO B 215 -1.605 6.732 -3.960 1.00 0.00 H new ATOM 0 HB3 PRO B 215 -1.813 5.032 -4.331 1.00 0.00 H new ATOM 0 HG2 PRO B 215 -3.238 7.102 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO B 215 -3.721 5.418 -5.522 1.00 0.00 H new ATOM 0 HD2 PRO B 215 -4.796 7.664 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO B 215 -5.586 6.182 -4.392 1.00 0.00 H new ATOM 827 N MET B 216 -1.568 6.043 -0.630 1.00 0.00 N ATOM 828 CA MET B 216 -0.964 6.823 0.440 1.00 0.00 C ATOM 829 C MET B 216 0.547 6.630 0.497 1.00 0.00 C ATOM 830 O MET B 216 1.040 5.703 1.128 1.00 0.00 O ATOM 831 CB MET B 216 -1.617 6.440 1.775 1.00 0.00 C ATOM 832 CG MET B 216 -1.888 7.617 2.697 1.00 0.00 C ATOM 833 SD MET B 216 -3.586 7.651 3.318 1.00 0.00 S ATOM 834 CE MET B 216 -4.534 7.336 1.827 1.00 0.00 C ATOM 0 H MET B 216 -1.377 5.042 -0.588 1.00 0.00 H new ATOM 0 HA MET B 216 -1.139 7.880 0.241 1.00 0.00 H new ATOM 0 HB2 MET B 216 -2.558 5.928 1.573 1.00 0.00 H new ATOM 0 HB3 MET B 216 -0.972 5.730 2.292 1.00 0.00 H new ATOM 0 HG2 MET B 216 -1.199 7.577 3.541 1.00 0.00 H new ATOM 0 HG3 MET B 216 -1.684 8.545 2.163 1.00 0.00 H new ATOM 0 HE1 MET B 216 -5.385 8.015 1.787 1.00 0.00 H new ATOM 0 HE2 MET B 216 -3.902 7.495 0.953 1.00 0.00 H new ATOM 0 HE3 MET B 216 -4.892 6.306 1.834 1.00 0.00 H new ATOM 842 N ASP B 217 1.278 7.521 -0.162 1.00 0.00 N ATOM 843 CA ASP B 217 2.733 7.448 -0.183 1.00 0.00 C ATOM 844 C ASP B 217 3.303 7.574 1.226 1.00 0.00 C ATOM 845 O ASP B 217 3.193 8.671 1.812 1.00 0.00 O ATOM 846 CB ASP B 217 3.309 8.546 -1.078 1.00 0.00 C ATOM 847 CG ASP B 217 2.690 9.903 -0.799 1.00 0.00 C ATOM 848 OD1 ASP B 217 1.530 10.121 -1.207 1.00 0.00 O ATOM 849 OD2 ASP B 217 3.367 10.746 -0.174 1.00 0.00 O ATOM 850 OXT ASP B 217 3.856 6.574 1.732 1.00 0.00 O ATOM 0 H ASP B 217 0.887 8.302 -0.689 1.00 0.00 H new ATOM 0 HA ASP B 217 3.017 6.476 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP B 217 4.387 8.604 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP B 217 3.145 8.283 -2.123 1.00 0.00 H new TER 854 ASP B 217