USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 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 305 ASN : amide:sc= 0.207 K(o=0.49,f=-0.32) USER MOD Set 1.2: A 332 SER OG : rot -89:sc= 0.279 USER MOD Set 2.1: A 270 SER OG : rot 180:sc=-0.00831 USER MOD Set 2.2: A 314 ASN : amide:sc= 0.346 K(o=0.34,f=-0.8!) USER MOD Set 3.1: A 269 GLN :FLIP amide:sc= 0.359 F(o=0.06,f=0.77) USER MOD Set 3.2: A 279 TYR OH : rot 21:sc= 0.406 USER MOD Single : A 248 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.916 K(o=0.92,f=-7.1!) USER MOD Single : A 256 MET CE :methyl -168:sc= 0 (180deg=-0.153) USER MOD Single : A 259 HIS : no HE2:sc= 0.421 K(o=0.42,f=-1.8!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 265 SER OG : rot 89:sc= 0.738 USER MOD Single : A 271 ASN :FLIP amide:sc= -0.529 F(o=-1!,f=-0.53) USER MOD Single : A 282 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 284 MET CE :methyl 142:sc= -0.111 (180deg=-0.768) USER MOD Single : A 285 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 303 GLN : amide:sc= -0.403 K(o=-0.4,f=-1.6!) USER MOD Single : A 308 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.4!) USER MOD Single : A 311 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.3) USER MOD Single : A 312 MET CE :methyl 143:sc= -0.0281 (180deg=-1.13) USER MOD Single : A 313 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 326 SER OG : rot 83:sc= 1.25 USER MOD Single : A 327 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.73) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 334 THR OG1 : rot 79:sc= -0.0177 USER MOD Single : A 337 LYS NZ :NH3+ 161:sc= 1.65 (180deg=0.452) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.064 -13.882 -7.148 1.00 0.52 N ATOM 2 CA ASN A 248 2.777 -13.665 -7.850 1.00 0.49 C ATOM 3 C ASN A 248 2.364 -12.202 -7.754 1.00 0.44 C ATOM 4 O ASN A 248 2.483 -11.586 -6.698 1.00 0.47 O ATOM 5 CB ASN A 248 1.685 -14.549 -7.239 1.00 0.57 C ATOM 6 CG ASN A 248 0.467 -14.675 -8.132 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.351 -13.763 -8.218 1.00 0.99 O ATOM 8 ND2 ASN A 248 0.329 -15.812 -8.793 1.00 1.26 N ATOM 0 HA ASN A 248 2.906 -13.931 -8.899 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.093 -15.541 -7.045 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.384 -14.135 -6.277 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -0.478 -15.954 -9.400 1.00 1.26 H new ATOM 0 HD22 ASN A 248 1.030 -16.547 -8.696 1.00 1.26 H new ATOM 17 N ILE A 249 1.884 -11.643 -8.853 1.00 0.45 N ATOM 18 CA ILE A 249 1.464 -10.249 -8.874 1.00 0.43 C ATOM 19 C ILE A 249 -0.055 -10.154 -8.815 1.00 0.42 C ATOM 20 O ILE A 249 -0.751 -10.712 -9.666 1.00 0.50 O ATOM 21 CB ILE A 249 1.970 -9.523 -10.135 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.468 -9.770 -10.327 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.684 -8.030 -10.041 1.00 0.50 C ATOM 24 CD1 ILE A 249 3.985 -9.330 -11.681 1.00 0.65 C ATOM 0 H ILE A 249 1.775 -12.131 -9.742 1.00 0.45 H new ATOM 0 HA ILE A 249 1.899 -9.765 -7.999 1.00 0.43 H new ATOM 0 HB ILE A 249 1.440 -9.921 -11.000 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.018 -9.242 -9.548 1.00 0.54 H new ATOM 0 HG13 ILE A 249 3.672 -10.833 -10.197 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.048 -7.533 -10.940 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.610 -7.870 -9.948 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.189 -7.617 -9.168 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.053 -9.535 -11.747 1.00 0.65 H new ATOM 0 HD12 ILE A 249 3.462 -9.877 -12.465 1.00 0.65 H new ATOM 0 HD13 ILE A 249 3.812 -8.261 -11.807 1.00 0.65 H new ATOM 36 N ILE A 250 -0.566 -9.459 -7.812 1.00 0.39 N ATOM 37 CA ILE A 250 -2.003 -9.304 -7.648 1.00 0.41 C ATOM 38 C ILE A 250 -2.398 -7.832 -7.691 1.00 0.37 C ATOM 39 O ILE A 250 -1.876 -7.016 -6.933 1.00 0.36 O ATOM 40 CB ILE A 250 -2.487 -9.927 -6.315 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.239 -11.440 -6.301 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.962 -9.628 -6.075 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.130 -12.219 -7.246 1.00 0.54 C ATOM 0 H ILE A 250 -0.007 -8.992 -7.098 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.481 -9.829 -8.475 1.00 0.41 H new ATOM 0 HB ILE A 250 -1.912 -9.475 -5.507 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -1.198 -11.630 -6.561 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -2.388 -11.813 -5.288 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.276 -10.077 -5.133 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.112 -8.549 -6.031 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.555 -10.044 -6.890 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.893 -13.281 -7.177 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -4.174 -12.062 -6.974 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -2.965 -11.876 -8.267 1.00 0.54 H new ATOM 55 N THR A 251 -3.309 -7.496 -8.595 1.00 0.40 N ATOM 56 CA THR A 251 -3.794 -6.131 -8.727 1.00 0.39 C ATOM 57 C THR A 251 -5.243 -6.051 -8.259 1.00 0.40 C ATOM 58 O THR A 251 -6.135 -6.617 -8.889 1.00 0.48 O ATOM 59 CB THR A 251 -3.702 -5.645 -10.185 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.531 -6.196 -10.809 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.649 -4.124 -10.248 1.00 0.47 C ATOM 0 H THR A 251 -3.728 -8.155 -9.251 1.00 0.40 H new ATOM 0 HA THR A 251 -3.167 -5.489 -8.109 1.00 0.39 H new ATOM 0 HB THR A 251 -4.592 -5.982 -10.716 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.478 -5.885 -11.737 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.584 -3.805 -11.288 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.550 -3.710 -9.797 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.774 -3.768 -9.704 1.00 0.47 H new ATOM 69 N VAL A 252 -5.473 -5.368 -7.146 1.00 0.36 N ATOM 70 CA VAL A 252 -6.819 -5.241 -6.599 1.00 0.38 C ATOM 71 C VAL A 252 -7.347 -3.821 -6.745 1.00 0.35 C ATOM 72 O VAL A 252 -6.579 -2.866 -6.863 1.00 0.39 O ATOM 73 CB VAL A 252 -6.872 -5.643 -5.105 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.299 -7.031 -4.898 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.126 -4.636 -4.244 1.00 0.40 C ATOM 0 H VAL A 252 -4.749 -4.895 -6.605 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.448 -5.922 -7.173 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.919 -5.650 -4.801 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.347 -7.291 -3.840 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.876 -7.753 -5.476 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.261 -7.049 -5.229 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.178 -4.941 -3.199 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -5.083 -4.591 -4.557 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.581 -3.652 -4.358 1.00 0.40 H new ATOM 85 N THR A 253 -8.661 -3.702 -6.748 1.00 0.39 N ATOM 86 CA THR A 253 -9.320 -2.414 -6.847 1.00 0.40 C ATOM 87 C THR A 253 -10.269 -2.271 -5.660 1.00 0.39 C ATOM 88 O THR A 253 -11.239 -3.020 -5.529 1.00 0.54 O ATOM 89 CB THR A 253 -10.077 -2.253 -8.190 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.915 -1.092 -8.159 1.00 0.76 O ATOM 91 CG2 THR A 253 -10.917 -3.483 -8.505 1.00 0.79 C ATOM 0 H THR A 253 -9.301 -4.494 -6.682 1.00 0.39 H new ATOM 0 HA THR A 253 -8.570 -1.624 -6.823 1.00 0.40 H new ATOM 0 HB THR A 253 -9.330 -2.136 -8.975 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.384 -1.004 -9.015 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.435 -3.337 -9.453 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.270 -4.357 -8.576 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.649 -3.637 -7.712 1.00 0.79 H new ATOM 99 N LEU A 254 -9.972 -1.331 -4.779 1.00 0.33 N ATOM 100 CA LEU A 254 -10.775 -1.144 -3.581 1.00 0.35 C ATOM 101 C LEU A 254 -11.798 -0.025 -3.730 1.00 0.35 C ATOM 102 O LEU A 254 -11.507 1.040 -4.279 1.00 0.37 O ATOM 103 CB LEU A 254 -9.864 -0.863 -2.391 1.00 0.36 C ATOM 104 CG LEU A 254 -8.797 -1.931 -2.131 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.928 -1.545 -0.950 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.443 -3.283 -1.886 1.00 0.45 C ATOM 0 H LEU A 254 -9.185 -0.688 -4.869 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.333 -2.066 -3.416 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.368 0.095 -2.550 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.479 -0.759 -1.497 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.166 -2.001 -3.017 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.177 -2.317 -0.783 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.433 -0.596 -1.157 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.548 -1.444 -0.060 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.669 -4.028 -1.703 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.099 -3.221 -1.018 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.026 -3.572 -2.761 1.00 0.45 H new ATOM 118 N ASN A 255 -12.999 -0.290 -3.230 1.00 0.40 N ATOM 119 CA ASN A 255 -14.093 0.669 -3.270 1.00 0.44 C ATOM 120 C ASN A 255 -13.919 1.704 -2.163 1.00 0.40 C ATOM 121 O ASN A 255 -14.056 1.391 -0.975 1.00 0.39 O ATOM 122 CB ASN A 255 -15.435 -0.057 -3.109 1.00 0.50 C ATOM 123 CG ASN A 255 -16.622 0.891 -3.085 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.992 1.414 -2.033 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.233 1.110 -4.239 1.00 0.65 N ATOM 0 H ASN A 255 -13.241 -1.176 -2.786 1.00 0.40 H new ATOM 0 HA ASN A 255 -14.083 1.178 -4.234 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.559 -0.766 -3.928 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.420 -0.636 -2.186 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -18.041 1.731 -4.278 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.896 0.658 -5.089 1.00 0.65 H new ATOM 132 N MET A 256 -13.618 2.936 -2.553 1.00 0.41 N ATOM 133 CA MET A 256 -13.414 4.014 -1.595 1.00 0.41 C ATOM 134 C MET A 256 -14.691 4.817 -1.384 1.00 0.44 C ATOM 135 O MET A 256 -14.651 5.963 -0.942 1.00 0.49 O ATOM 136 CB MET A 256 -12.280 4.927 -2.059 1.00 0.43 C ATOM 137 CG MET A 256 -10.899 4.403 -1.691 1.00 0.45 C ATOM 138 SD MET A 256 -10.639 4.317 0.095 1.00 0.56 S ATOM 139 CE MET A 256 -10.465 6.054 0.488 1.00 0.63 C ATOM 0 H MET A 256 -13.510 3.214 -3.528 1.00 0.41 H new ATOM 0 HA MET A 256 -13.140 3.567 -0.639 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.339 5.048 -3.141 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.415 5.915 -1.620 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.765 3.411 -2.122 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.140 5.048 -2.134 1.00 0.45 H new ATOM 0 HE1 MET A 256 -10.090 6.161 1.506 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.764 6.516 -0.207 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.435 6.545 0.405 1.00 0.63 H new ATOM 149 N GLU A 257 -15.824 4.214 -1.707 1.00 0.46 N ATOM 150 CA GLU A 257 -17.109 4.872 -1.526 1.00 0.51 C ATOM 151 C GLU A 257 -17.678 4.494 -0.166 1.00 0.49 C ATOM 152 O GLU A 257 -18.045 5.352 0.633 1.00 0.56 O ATOM 153 CB GLU A 257 -18.086 4.473 -2.635 1.00 0.56 C ATOM 154 CG GLU A 257 -17.532 4.642 -4.042 1.00 0.67 C ATOM 155 CD GLU A 257 -16.858 5.980 -4.254 1.00 0.86 C ATOM 156 OE1 GLU A 257 -17.450 7.018 -3.895 1.00 1.23 O ATOM 157 OE2 GLU A 257 -15.729 5.997 -4.785 1.00 1.27 O ATOM 0 H GLU A 257 -15.881 3.272 -2.095 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.964 5.951 -1.576 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.375 3.432 -2.493 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.992 5.071 -2.539 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.816 3.845 -4.243 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.343 4.532 -4.762 1.00 0.67 H new ATOM 164 N ARG A 258 -17.716 3.195 0.099 1.00 0.45 N ATOM 165 CA ARG A 258 -18.225 2.688 1.365 1.00 0.45 C ATOM 166 C ARG A 258 -17.108 2.644 2.404 1.00 0.43 C ATOM 167 O ARG A 258 -17.306 2.213 3.540 1.00 0.63 O ATOM 168 CB ARG A 258 -18.826 1.296 1.174 1.00 0.48 C ATOM 169 CG ARG A 258 -19.776 0.882 2.286 1.00 0.56 C ATOM 170 CD ARG A 258 -20.345 -0.501 2.040 1.00 0.64 C ATOM 171 NE ARG A 258 -20.950 -1.069 3.244 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.570 -2.219 3.798 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.599 -2.941 3.251 1.00 1.01 N ATOM 174 NH2 ARG A 258 -21.172 -2.655 4.897 1.00 1.06 N ATOM 0 H ARG A 258 -17.400 2.472 -0.548 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.006 3.359 1.721 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.359 1.268 0.224 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -18.018 0.567 1.108 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -19.250 0.896 3.240 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.589 1.604 2.360 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -21.093 -0.449 1.249 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -19.553 -1.161 1.687 1.00 0.64 H new ATOM 0 HE ARG A 258 -21.710 -0.553 3.687 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -19.139 -2.616 2.401 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -19.313 -3.821 3.681 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -21.925 -2.110 5.317 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.882 -3.536 5.322 1.00 1.06 H new ATOM 188 N HIS A 259 -15.929 3.093 2.004 1.00 0.37 N ATOM 189 CA HIS A 259 -14.772 3.116 2.886 1.00 0.35 C ATOM 190 C HIS A 259 -14.156 4.505 2.877 1.00 0.40 C ATOM 191 O HIS A 259 -14.329 5.251 1.918 1.00 0.63 O ATOM 192 CB HIS A 259 -13.735 2.080 2.452 1.00 0.38 C ATOM 193 CG HIS A 259 -14.216 0.669 2.585 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.442 -0.160 1.506 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.523 -0.059 3.686 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.872 -1.332 1.937 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.929 -1.295 3.255 1.00 0.75 N ATOM 0 H HIS A 259 -15.747 3.449 1.066 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.097 2.867 3.896 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.458 2.266 1.414 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.833 2.207 3.050 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.299 0.093 0.528 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.460 0.273 4.712 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.133 -2.177 1.317 1.00 0.76 H new ATOM 206 N HIS A 260 -13.458 4.857 3.946 1.00 0.36 N ATOM 207 CA HIS A 260 -12.835 6.175 4.041 1.00 0.42 C ATOM 208 C HIS A 260 -11.342 6.055 4.318 1.00 0.35 C ATOM 209 O HIS A 260 -10.666 7.053 4.562 1.00 0.42 O ATOM 210 CB HIS A 260 -13.503 7.015 5.138 1.00 0.56 C ATOM 211 CG HIS A 260 -14.969 7.249 4.914 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.458 8.017 3.880 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.057 6.793 5.584 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.775 8.026 3.926 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.164 7.290 4.946 1.00 1.01 N ATOM 0 H HIS A 260 -13.307 4.256 4.756 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.972 6.675 3.082 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.367 6.517 6.098 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.997 7.978 5.204 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.052 6.157 6.457 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.426 8.549 3.242 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.132 7.118 5.217 1.00 1.01 H new ATOM 224 N PHE A 261 -10.831 4.831 4.266 1.00 0.30 N ATOM 225 CA PHE A 261 -9.417 4.585 4.519 1.00 0.25 C ATOM 226 C PHE A 261 -9.013 3.206 4.015 1.00 0.21 C ATOM 227 O PHE A 261 -9.869 2.358 3.738 1.00 0.22 O ATOM 228 CB PHE A 261 -9.097 4.728 6.017 1.00 0.28 C ATOM 229 CG PHE A 261 -9.839 3.773 6.914 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.182 3.970 7.206 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.191 2.684 7.472 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.859 3.097 8.038 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.861 1.810 8.305 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.197 2.016 8.586 1.00 0.52 C ATOM 0 H PHE A 261 -11.374 3.995 4.051 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.840 5.332 3.974 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.026 4.583 6.161 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.325 5.748 6.327 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.703 4.814 6.779 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.147 2.516 7.253 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.903 3.260 8.259 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.341 0.967 8.736 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.724 1.332 9.234 1.00 0.52 H new ATOM 244 N LEU A 262 -7.710 2.988 3.899 1.00 0.17 N ATOM 245 CA LEU A 262 -7.184 1.717 3.433 1.00 0.14 C ATOM 246 C LEU A 262 -7.204 0.711 4.574 1.00 0.12 C ATOM 247 O LEU A 262 -7.807 -0.361 4.467 1.00 0.14 O ATOM 248 CB LEU A 262 -5.760 1.896 2.886 1.00 0.14 C ATOM 249 CG LEU A 262 -5.663 2.292 1.405 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.275 1.986 0.865 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.718 1.577 0.574 1.00 0.34 C ATOM 0 H LEU A 262 -6.996 3.681 4.123 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.810 1.342 2.623 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.254 2.657 3.481 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.214 0.963 3.031 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.843 3.365 1.333 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.222 2.272 -0.185 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.532 2.547 1.432 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.074 0.919 0.961 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.624 1.877 -0.470 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.576 0.499 0.655 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.710 1.841 0.940 1.00 0.34 H new ATOM 263 N GLY A 263 -6.554 1.072 5.667 1.00 0.11 N ATOM 264 CA GLY A 263 -6.521 0.216 6.830 1.00 0.12 C ATOM 265 C GLY A 263 -5.317 -0.696 6.848 1.00 0.11 C ATOM 266 O GLY A 263 -5.439 -1.879 7.170 1.00 0.14 O ATOM 0 H GLY A 263 -6.045 1.950 5.769 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.519 0.832 7.729 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.429 -0.387 6.858 1.00 0.12 H new ATOM 270 N ILE A 264 -4.155 -0.157 6.509 1.00 0.09 N ATOM 271 CA ILE A 264 -2.930 -0.948 6.492 1.00 0.09 C ATOM 272 C ILE A 264 -1.729 -0.159 6.996 1.00 0.08 C ATOM 273 O ILE A 264 -1.661 1.068 6.868 1.00 0.11 O ATOM 274 CB ILE A 264 -2.594 -1.483 5.081 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.889 -0.424 4.016 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.362 -2.764 4.797 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.327 -0.760 2.652 1.00 0.18 C ATOM 0 H ILE A 264 -4.033 0.820 6.243 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.125 -1.786 7.161 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.529 -1.710 5.046 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.968 -0.296 3.933 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.479 0.531 4.343 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.112 -3.125 3.799 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.093 -3.520 5.534 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.432 -2.567 4.854 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.576 0.036 1.950 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.244 -0.859 2.719 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.756 -1.699 2.303 1.00 0.18 H new ATOM 289 N SER A 265 -0.793 -0.888 7.579 1.00 0.09 N ATOM 290 CA SER A 265 0.438 -0.313 8.080 1.00 0.12 C ATOM 291 C SER A 265 1.527 -0.548 7.046 1.00 0.11 C ATOM 292 O SER A 265 1.677 -1.662 6.541 1.00 0.19 O ATOM 293 CB SER A 265 0.822 -0.963 9.411 1.00 0.20 C ATOM 294 OG SER A 265 1.938 -0.319 10.000 1.00 1.00 O ATOM 0 H SER A 265 -0.868 -1.896 7.717 1.00 0.09 H new ATOM 0 HA SER A 265 0.310 0.756 8.251 1.00 0.12 H new ATOM 0 HB2 SER A 265 -0.026 -0.922 10.095 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.051 -2.016 9.250 1.00 0.20 H new ATOM 0 HG SER A 265 1.628 0.413 10.573 1.00 1.00 H new ATOM 300 N ILE A 266 2.269 0.490 6.707 1.00 0.10 N ATOM 301 CA ILE A 266 3.319 0.360 5.714 1.00 0.11 C ATOM 302 C ILE A 266 4.679 0.179 6.385 1.00 0.13 C ATOM 303 O ILE A 266 5.160 1.066 7.093 1.00 0.28 O ATOM 304 CB ILE A 266 3.365 1.573 4.755 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.950 2.070 4.406 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.115 1.203 3.486 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.061 1.003 3.808 1.00 0.16 C ATOM 0 H ILE A 266 2.166 1.425 7.101 1.00 0.10 H new ATOM 0 HA ILE A 266 3.088 -0.526 5.123 1.00 0.11 H new ATOM 0 HB ILE A 266 3.888 2.383 5.263 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.479 2.459 5.308 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.029 2.900 3.704 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.143 2.062 2.816 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.133 0.906 3.738 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.608 0.374 2.992 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.081 1.427 3.588 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.510 0.630 2.887 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.951 0.182 4.517 1.00 0.16 H new ATOM 319 N VAL A 267 5.284 -0.981 6.167 1.00 0.12 N ATOM 320 CA VAL A 267 6.586 -1.299 6.742 1.00 0.14 C ATOM 321 C VAL A 267 7.708 -0.796 5.842 1.00 0.14 C ATOM 322 O VAL A 267 7.754 -1.130 4.657 1.00 0.23 O ATOM 323 CB VAL A 267 6.754 -2.820 6.943 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.097 -3.140 7.576 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.620 -3.377 7.782 1.00 0.31 C ATOM 0 H VAL A 267 4.890 -1.724 5.590 1.00 0.12 H new ATOM 0 HA VAL A 267 6.640 -0.803 7.711 1.00 0.14 H new ATOM 0 HB VAL A 267 6.722 -3.296 5.963 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.190 -4.218 7.707 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.898 -2.782 6.929 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.168 -2.649 8.547 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.757 -4.451 7.912 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.616 -2.891 8.758 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.671 -3.191 7.280 1.00 0.31 H new ATOM 335 N GLY A 268 8.616 -0.011 6.411 1.00 0.17 N ATOM 336 CA GLY A 268 9.721 0.529 5.644 1.00 0.23 C ATOM 337 C GLY A 268 10.998 -0.269 5.832 1.00 0.23 C ATOM 338 O GLY A 268 11.804 0.036 6.713 1.00 0.37 O ATOM 0 H GLY A 268 8.605 0.261 7.394 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.455 0.541 4.587 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.895 1.563 5.940 1.00 0.23 H new ATOM 342 N GLN A 269 11.187 -1.290 5.008 1.00 0.27 N ATOM 343 CA GLN A 269 12.378 -2.128 5.092 1.00 0.34 C ATOM 344 C GLN A 269 13.594 -1.371 4.571 1.00 0.38 C ATOM 345 O GLN A 269 13.633 -0.961 3.411 1.00 0.50 O ATOM 346 CB GLN A 269 12.169 -3.423 4.300 1.00 0.49 C ATOM 347 CG GLN A 269 13.410 -4.295 4.207 1.00 0.67 C ATOM 348 CD GLN A 269 13.103 -5.702 3.739 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.010 -5.882 2.432 1.00 1.81 O flip ATOM 350 NE2 GLN A 269 12.943 -6.618 4.547 1.00 1.87 N flip ATOM 0 H GLN A 269 10.532 -1.559 4.274 1.00 0.27 H new ATOM 0 HA GLN A 269 12.555 -2.386 6.136 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.368 -3.997 4.766 1.00 0.49 H new ATOM 0 HB3 GLN A 269 11.837 -3.172 3.293 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.121 -3.835 3.521 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.892 -4.339 5.184 1.00 0.67 H new ATOM 0 HE21 GLN A 269 13.024 -6.436 5.547 1.00 1.87 H new ATOM 0 HE22 GLN A 269 12.730 -7.559 4.216 1.00 1.87 H new ATOM 359 N SER A 270 14.579 -1.175 5.435 1.00 0.55 N ATOM 360 CA SER A 270 15.788 -0.458 5.060 1.00 0.70 C ATOM 361 C SER A 270 17.036 -1.260 5.432 1.00 0.83 C ATOM 362 O SER A 270 17.325 -1.470 6.611 1.00 1.17 O ATOM 363 CB SER A 270 15.814 0.910 5.741 1.00 0.96 C ATOM 364 OG SER A 270 14.526 1.503 5.727 1.00 1.10 O ATOM 0 H SER A 270 14.564 -1.503 6.401 1.00 0.55 H new ATOM 0 HA SER A 270 15.786 -0.318 3.979 1.00 0.70 H new ATOM 0 HB2 SER A 270 16.159 0.803 6.769 1.00 0.96 H new ATOM 0 HB3 SER A 270 16.525 1.561 5.232 1.00 0.96 H new ATOM 0 HG SER A 270 14.563 2.377 6.169 1.00 1.10 H new ATOM 370 N ASN A 271 17.759 -1.713 4.417 1.00 0.91 N ATOM 371 CA ASN A 271 18.983 -2.488 4.626 1.00 1.15 C ATOM 372 C ASN A 271 20.195 -1.551 4.662 1.00 1.04 C ATOM 373 O ASN A 271 20.062 -0.384 5.029 1.00 1.29 O ATOM 374 CB ASN A 271 19.141 -3.540 3.521 1.00 1.43 C ATOM 375 CG ASN A 271 19.918 -4.764 3.981 1.00 2.09 C ATOM 376 OD1 ASN A 271 21.107 -4.961 3.429 1.00 2.75 O flip ATOM 377 ND2 ASN A 271 19.452 -5.526 4.827 1.00 2.37 N flip ATOM 0 H ASN A 271 17.522 -1.559 3.437 1.00 0.91 H new ATOM 0 HA ASN A 271 18.917 -3.006 5.583 1.00 1.15 H new ATOM 0 HB2 ASN A 271 18.154 -3.850 3.176 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.650 -3.091 2.668 1.00 1.43 H new ATOM 0 HD21 ASN A 271 18.533 -5.341 5.229 1.00 2.37 H new ATOM 0 HD22 ASN A 271 19.985 -6.343 5.126 1.00 2.37 H new ATOM 384 N ASP A 272 21.362 -2.059 4.277 1.00 1.04 N ATOM 385 CA ASP A 272 22.590 -1.266 4.263 1.00 1.02 C ATOM 386 C ASP A 272 22.448 -0.048 3.348 1.00 1.00 C ATOM 387 O ASP A 272 22.812 1.065 3.723 1.00 1.14 O ATOM 388 CB ASP A 272 23.784 -2.127 3.823 1.00 1.26 C ATOM 389 CG ASP A 272 23.683 -2.589 2.379 1.00 1.61 C ATOM 390 OD1 ASP A 272 22.661 -3.214 2.020 1.00 2.08 O ATOM 391 OD2 ASP A 272 24.616 -2.321 1.596 1.00 1.91 O ATOM 0 H ASP A 272 21.485 -3.023 3.968 1.00 1.04 H new ATOM 0 HA ASP A 272 22.771 -0.910 5.277 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.704 -1.556 3.953 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.855 -2.999 4.473 1.00 1.26 H new ATOM 396 N ARG A 273 21.917 -0.265 2.150 1.00 1.07 N ATOM 397 CA ARG A 273 21.716 0.815 1.193 1.00 1.28 C ATOM 398 C ARG A 273 20.518 1.659 1.592 1.00 1.10 C ATOM 399 O ARG A 273 20.620 2.876 1.746 1.00 1.41 O ATOM 400 CB ARG A 273 21.493 0.251 -0.208 1.00 1.59 C ATOM 401 CG ARG A 273 22.743 -0.308 -0.854 1.00 1.84 C ATOM 402 CD ARG A 273 22.404 -1.093 -2.110 1.00 1.60 C ATOM 403 NE ARG A 273 22.344 -2.531 -1.860 1.00 1.78 N ATOM 404 CZ ARG A 273 21.236 -3.264 -1.953 1.00 2.01 C ATOM 405 NH1 ARG A 273 20.069 -2.695 -2.237 1.00 1.92 N ATOM 406 NH2 ARG A 273 21.295 -4.572 -1.737 1.00 2.63 N ATOM 0 H ARG A 273 21.617 -1.182 1.818 1.00 1.07 H new ATOM 0 HA ARG A 273 22.610 1.438 1.191 1.00 1.28 H new ATOM 0 HB2 ARG A 273 20.741 -0.536 -0.156 1.00 1.59 H new ATOM 0 HB3 ARG A 273 21.088 1.038 -0.845 1.00 1.59 H new ATOM 0 HG2 ARG A 273 23.423 0.507 -1.103 1.00 1.84 H new ATOM 0 HG3 ARG A 273 23.264 -0.954 -0.147 1.00 1.84 H new ATOM 0 HD2 ARG A 273 21.445 -0.753 -2.502 1.00 1.60 H new ATOM 0 HD3 ARG A 273 23.151 -0.890 -2.877 1.00 1.60 H new ATOM 0 HE ARG A 273 23.208 -3.005 -1.597 1.00 1.78 H new ATOM 0 HH11 ARG A 273 20.016 -1.687 -2.386 1.00 1.92 H new ATOM 0 HH12 ARG A 273 19.227 -3.266 -2.306 1.00 1.92 H new ATOM 0 HH21 ARG A 273 22.185 -5.010 -1.501 1.00 2.63 H new ATOM 0 HH22 ARG A 273 20.450 -5.139 -1.807 1.00 2.63 H new ATOM 420 N GLY A 274 19.380 0.998 1.755 1.00 0.89 N ATOM 421 CA GLY A 274 18.169 1.690 2.132 1.00 0.89 C ATOM 422 C GLY A 274 16.971 1.193 1.357 1.00 0.72 C ATOM 423 O GLY A 274 15.868 1.108 1.898 1.00 0.97 O ATOM 0 H GLY A 274 19.276 -0.009 1.632 1.00 0.89 H new ATOM 0 HA2 GLY A 274 17.992 1.556 3.199 1.00 0.89 H new ATOM 0 HA3 GLY A 274 18.294 2.759 1.961 1.00 0.89 H new ATOM 427 N ASP A 275 17.190 0.844 0.095 1.00 0.65 N ATOM 428 CA ASP A 275 16.112 0.357 -0.754 1.00 0.66 C ATOM 429 C ASP A 275 15.741 -1.080 -0.386 1.00 0.69 C ATOM 430 O ASP A 275 16.346 -2.045 -0.850 1.00 1.44 O ATOM 431 CB ASP A 275 16.479 0.478 -2.247 1.00 0.91 C ATOM 432 CG ASP A 275 17.708 -0.319 -2.657 1.00 1.10 C ATOM 433 OD1 ASP A 275 18.787 -0.129 -2.050 1.00 1.53 O ATOM 434 OD2 ASP A 275 17.603 -1.128 -3.608 1.00 1.75 O ATOM 0 H ASP A 275 18.101 0.889 -0.361 1.00 0.65 H new ATOM 0 HA ASP A 275 15.237 0.984 -0.582 1.00 0.66 H new ATOM 0 HB2 ASP A 275 15.630 0.148 -2.846 1.00 0.91 H new ATOM 0 HB3 ASP A 275 16.646 1.529 -2.484 1.00 0.91 H new ATOM 439 N GLY A 276 14.758 -1.208 0.492 1.00 0.48 N ATOM 440 CA GLY A 276 14.308 -2.517 0.918 1.00 0.43 C ATOM 441 C GLY A 276 12.900 -2.813 0.454 1.00 0.37 C ATOM 442 O GLY A 276 12.549 -3.968 0.225 1.00 0.52 O ATOM 0 H GLY A 276 14.262 -0.426 0.919 1.00 0.48 H new ATOM 0 HA2 GLY A 276 14.985 -3.277 0.528 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.351 -2.579 2.005 1.00 0.43 H new ATOM 446 N GLY A 277 12.088 -1.772 0.335 1.00 0.30 N ATOM 447 CA GLY A 277 10.724 -1.948 -0.114 1.00 0.29 C ATOM 448 C GLY A 277 9.716 -1.766 1.001 1.00 0.24 C ATOM 449 O GLY A 277 10.048 -1.889 2.183 1.00 0.27 O ATOM 0 H GLY A 277 12.351 -0.808 0.542 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.512 -1.234 -0.910 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.612 -2.944 -0.541 1.00 0.29 H new ATOM 453 N ILE A 278 8.482 -1.464 0.626 1.00 0.21 N ATOM 454 CA ILE A 278 7.418 -1.269 1.594 1.00 0.19 C ATOM 455 C ILE A 278 6.503 -2.488 1.632 1.00 0.18 C ATOM 456 O ILE A 278 5.954 -2.907 0.609 1.00 0.23 O ATOM 457 CB ILE A 278 6.595 0.003 1.287 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.293 0.110 -0.211 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.342 1.241 1.771 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.278 1.183 -0.551 1.00 0.27 C ATOM 0 H ILE A 278 8.194 -1.349 -0.346 1.00 0.21 H new ATOM 0 HA ILE A 278 7.883 -1.140 2.572 1.00 0.19 H new ATOM 0 HB ILE A 278 5.646 -0.065 1.818 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.220 0.316 -0.746 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.926 -0.852 -0.569 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.753 2.131 1.550 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.504 1.171 2.847 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.304 1.307 1.263 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.114 1.201 -1.628 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.337 0.967 -0.045 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.652 2.154 -0.225 1.00 0.27 H new ATOM 472 N TYR A 279 6.353 -3.063 2.814 1.00 0.15 N ATOM 473 CA TYR A 279 5.525 -4.248 2.982 1.00 0.16 C ATOM 474 C TYR A 279 4.277 -3.941 3.797 1.00 0.15 C ATOM 475 O TYR A 279 4.241 -2.974 4.557 1.00 0.18 O ATOM 476 CB TYR A 279 6.320 -5.360 3.672 1.00 0.19 C ATOM 477 CG TYR A 279 7.527 -5.826 2.891 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.752 -5.185 3.021 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.441 -6.906 2.021 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.856 -5.606 2.306 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.542 -7.333 1.305 1.00 0.57 C ATOM 482 CZ TYR A 279 9.747 -6.679 1.451 1.00 0.55 C ATOM 483 OH TYR A 279 10.848 -7.098 0.737 1.00 0.72 O ATOM 0 H TYR A 279 6.793 -2.729 3.672 1.00 0.15 H new ATOM 0 HA TYR A 279 5.219 -4.578 1.989 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.647 -5.006 4.650 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.661 -6.211 3.845 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.843 -4.344 3.692 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.498 -7.420 1.903 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.801 -5.095 2.417 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.460 -8.175 0.634 1.00 0.57 H new ATOM 0 HH TYR A 279 11.663 -6.773 1.172 1.00 0.72 H new ATOM 493 N ILE A 280 3.257 -4.764 3.617 1.00 0.16 N ATOM 494 CA ILE A 280 2.008 -4.618 4.344 1.00 0.16 C ATOM 495 C ILE A 280 2.148 -5.204 5.743 1.00 0.17 C ATOM 496 O ILE A 280 2.430 -6.394 5.899 1.00 0.21 O ATOM 497 CB ILE A 280 0.847 -5.330 3.612 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.653 -4.743 2.207 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.444 -5.227 4.418 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.262 -3.281 2.206 1.00 0.24 C ATOM 0 H ILE A 280 3.272 -5.549 2.966 1.00 0.16 H new ATOM 0 HA ILE A 280 1.782 -3.554 4.406 1.00 0.16 H new ATOM 0 HB ILE A 280 1.104 -6.385 3.512 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.578 -4.863 1.642 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.115 -5.315 1.687 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.248 -5.735 3.884 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.303 -5.695 5.392 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.705 -4.178 4.554 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.143 -2.937 1.179 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.679 -3.156 2.742 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.040 -2.696 2.697 1.00 0.24 H new ATOM 512 N GLY A 281 1.985 -4.362 6.750 1.00 0.20 N ATOM 513 CA GLY A 281 2.084 -4.820 8.118 1.00 0.23 C ATOM 514 C GLY A 281 0.753 -5.303 8.651 1.00 0.24 C ATOM 515 O GLY A 281 0.219 -6.309 8.191 1.00 0.42 O ATOM 0 H GLY A 281 1.785 -3.367 6.644 1.00 0.20 H new ATOM 0 HA2 GLY A 281 2.813 -5.628 8.178 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.454 -4.009 8.746 1.00 0.23 H new ATOM 519 N SER A 282 0.210 -4.578 9.612 1.00 0.25 N ATOM 520 CA SER A 282 -1.064 -4.936 10.209 1.00 0.29 C ATOM 521 C SER A 282 -2.234 -4.379 9.403 1.00 0.26 C ATOM 522 O SER A 282 -2.185 -3.247 8.916 1.00 0.30 O ATOM 523 CB SER A 282 -1.127 -4.403 11.637 1.00 0.35 C ATOM 524 OG SER A 282 0.153 -3.982 12.079 1.00 0.75 O ATOM 0 H SER A 282 0.634 -3.734 9.997 1.00 0.25 H new ATOM 0 HA SER A 282 -1.143 -6.023 10.213 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.826 -3.568 11.687 1.00 0.35 H new ATOM 0 HB3 SER A 282 -1.509 -5.178 12.302 1.00 0.35 H new ATOM 0 HG SER A 282 0.087 -3.643 12.996 1.00 0.75 H new ATOM 530 N ILE A 283 -3.277 -5.188 9.258 1.00 0.24 N ATOM 531 CA ILE A 283 -4.476 -4.777 8.541 1.00 0.23 C ATOM 532 C ILE A 283 -5.563 -4.415 9.549 1.00 0.23 C ATOM 533 O ILE A 283 -5.797 -5.157 10.506 1.00 0.30 O ATOM 534 CB ILE A 283 -4.997 -5.885 7.594 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.872 -6.374 6.677 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.173 -5.372 6.769 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.252 -7.572 5.835 1.00 0.53 C ATOM 0 H ILE A 283 -3.315 -6.137 9.630 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.220 -3.914 7.927 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.341 -6.724 8.198 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.571 -5.559 6.019 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.004 -6.629 7.285 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.527 -6.164 6.109 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.980 -5.068 7.436 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.854 -4.518 6.172 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.406 -7.862 5.211 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.524 -8.403 6.486 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.100 -7.316 5.200 1.00 0.53 H new ATOM 549 N MET A 284 -6.204 -3.276 9.343 1.00 0.20 N ATOM 550 CA MET A 284 -7.250 -2.803 10.240 1.00 0.21 C ATOM 551 C MET A 284 -8.629 -3.209 9.733 1.00 0.22 C ATOM 552 O MET A 284 -8.931 -3.068 8.545 1.00 0.23 O ATOM 553 CB MET A 284 -7.172 -1.283 10.382 1.00 0.24 C ATOM 554 CG MET A 284 -5.844 -0.783 10.930 1.00 0.35 C ATOM 555 SD MET A 284 -5.626 -1.139 12.684 1.00 0.54 S ATOM 556 CE MET A 284 -4.629 -2.628 12.620 1.00 0.74 C ATOM 0 H MET A 284 -6.017 -2.656 8.555 1.00 0.20 H new ATOM 0 HA MET A 284 -7.095 -3.263 11.216 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.346 -0.827 9.407 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.975 -0.948 11.039 1.00 0.24 H new ATOM 0 HG2 MET A 284 -5.030 -1.241 10.368 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.774 0.293 10.772 1.00 0.35 H new ATOM 0 HE1 MET A 284 -3.891 -2.607 13.422 1.00 0.74 H new ATOM 0 HE2 MET A 284 -5.271 -3.501 12.740 1.00 0.74 H new ATOM 0 HE3 MET A 284 -4.118 -2.683 11.659 1.00 0.74 H new ATOM 566 N LYS A 285 -9.461 -3.707 10.640 1.00 0.28 N ATOM 567 CA LYS A 285 -10.808 -4.135 10.291 1.00 0.33 C ATOM 568 C LYS A 285 -11.677 -2.926 9.968 1.00 0.33 C ATOM 569 O LYS A 285 -11.679 -1.936 10.699 1.00 0.46 O ATOM 570 CB LYS A 285 -11.423 -4.946 11.437 1.00 0.43 C ATOM 571 CG LYS A 285 -12.785 -5.542 11.112 1.00 0.49 C ATOM 572 CD LYS A 285 -12.714 -6.509 9.942 1.00 0.63 C ATOM 573 CE LYS A 285 -13.961 -7.374 9.857 1.00 0.83 C ATOM 574 NZ LYS A 285 -15.168 -6.581 9.507 1.00 1.01 N ATOM 0 H LYS A 285 -9.224 -3.824 11.625 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.755 -4.771 9.408 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.740 -5.752 11.706 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.518 -4.304 12.313 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.173 -6.060 11.989 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.486 -4.741 10.879 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.594 -5.950 9.014 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.835 -7.145 10.047 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.811 -8.154 9.110 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -14.121 -7.874 10.812 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.995 -7.210 9.460 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -15.328 -5.853 10.233 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -15.027 -6.124 8.583 1.00 1.01 H new ATOM 588 N GLY A 286 -12.406 -3.010 8.868 1.00 0.33 N ATOM 589 CA GLY A 286 -13.263 -1.917 8.466 1.00 0.35 C ATOM 590 C GLY A 286 -12.677 -1.147 7.307 1.00 0.30 C ATOM 591 O GLY A 286 -13.379 -0.407 6.615 1.00 0.36 O ATOM 0 H GLY A 286 -12.420 -3.817 8.245 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.242 -2.306 8.187 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.416 -1.244 9.310 1.00 0.35 H new ATOM 595 N GLY A 287 -11.381 -1.327 7.093 1.00 0.26 N ATOM 596 CA GLY A 287 -10.705 -0.652 6.011 1.00 0.24 C ATOM 597 C GLY A 287 -11.018 -1.273 4.668 1.00 0.22 C ATOM 598 O GLY A 287 -11.564 -2.379 4.597 1.00 0.24 O ATOM 0 H GLY A 287 -10.785 -1.934 7.656 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.997 0.398 6.001 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.629 -0.682 6.182 1.00 0.24 H new ATOM 602 N ALA A 288 -10.662 -0.570 3.603 1.00 0.21 N ATOM 603 CA ALA A 288 -10.904 -1.048 2.251 1.00 0.22 C ATOM 604 C ALA A 288 -10.123 -2.329 1.965 1.00 0.22 C ATOM 605 O ALA A 288 -10.607 -3.217 1.265 1.00 0.25 O ATOM 606 CB ALA A 288 -10.549 0.031 1.241 1.00 0.24 C ATOM 0 H ALA A 288 -10.202 0.339 3.651 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.965 -1.281 2.160 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.735 -0.339 0.233 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.162 0.914 1.422 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.496 0.293 1.343 1.00 0.24 H new ATOM 612 N VAL A 289 -8.922 -2.425 2.528 1.00 0.20 N ATOM 613 CA VAL A 289 -8.075 -3.599 2.332 1.00 0.21 C ATOM 614 C VAL A 289 -8.673 -4.822 3.027 1.00 0.23 C ATOM 615 O VAL A 289 -8.710 -5.916 2.461 1.00 0.26 O ATOM 616 CB VAL A 289 -6.645 -3.358 2.863 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.768 -4.580 2.630 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.027 -2.125 2.215 1.00 0.20 C ATOM 0 H VAL A 289 -8.513 -1.705 3.123 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.023 -3.783 1.259 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.710 -3.184 3.937 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.766 -4.387 3.012 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.195 -5.438 3.149 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.715 -4.791 1.562 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.020 -1.975 2.605 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.981 -2.266 1.135 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.637 -1.251 2.441 1.00 0.20 H new ATOM 628 N ALA A 290 -9.170 -4.621 4.243 1.00 0.23 N ATOM 629 CA ALA A 290 -9.760 -5.704 5.026 1.00 0.27 C ATOM 630 C ALA A 290 -11.064 -6.198 4.404 1.00 0.29 C ATOM 631 O ALA A 290 -11.543 -7.285 4.725 1.00 0.37 O ATOM 632 CB ALA A 290 -10.000 -5.247 6.455 1.00 0.29 C ATOM 0 H ALA A 290 -9.176 -3.714 4.710 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.056 -6.536 5.029 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.440 -6.063 7.029 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.052 -4.955 6.908 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.680 -4.395 6.455 1.00 0.29 H new ATOM 638 N ALA A 291 -11.638 -5.388 3.525 1.00 0.29 N ATOM 639 CA ALA A 291 -12.880 -5.741 2.857 1.00 0.32 C ATOM 640 C ALA A 291 -12.628 -6.701 1.699 1.00 0.32 C ATOM 641 O ALA A 291 -13.534 -7.415 1.261 1.00 0.41 O ATOM 642 CB ALA A 291 -13.583 -4.485 2.370 1.00 0.38 C ATOM 0 H ALA A 291 -11.260 -4.479 3.258 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.524 -6.250 3.574 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.512 -4.759 1.871 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.804 -3.839 3.220 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.937 -3.955 1.670 1.00 0.38 H new ATOM 648 N ASP A 292 -11.394 -6.718 1.204 1.00 0.31 N ATOM 649 CA ASP A 292 -11.036 -7.596 0.098 1.00 0.32 C ATOM 650 C ASP A 292 -10.555 -8.941 0.628 1.00 0.30 C ATOM 651 O ASP A 292 -11.326 -9.899 0.696 1.00 0.38 O ATOM 652 CB ASP A 292 -9.962 -6.957 -0.785 1.00 0.37 C ATOM 653 CG ASP A 292 -9.791 -7.691 -2.100 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.021 -8.676 -2.142 1.00 0.45 O ATOM 655 OD2 ASP A 292 -10.434 -7.299 -3.097 1.00 0.55 O ATOM 0 H ASP A 292 -10.630 -6.137 1.550 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.925 -7.754 -0.512 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -10.227 -5.918 -0.982 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -9.012 -6.948 -0.250 1.00 0.37 H new ATOM 660 N GLY A 293 -9.288 -9.011 1.020 1.00 0.29 N ATOM 661 CA GLY A 293 -8.756 -10.249 1.552 1.00 0.33 C ATOM 662 C GLY A 293 -7.559 -10.779 0.786 1.00 0.33 C ATOM 663 O GLY A 293 -6.782 -11.565 1.327 1.00 0.39 O ATOM 0 H GLY A 293 -8.624 -8.238 0.979 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.470 -10.094 2.592 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.542 -11.004 1.547 1.00 0.33 H new ATOM 667 N ARG A 294 -7.398 -10.361 -0.466 1.00 0.31 N ATOM 668 CA ARG A 294 -6.277 -10.829 -1.282 1.00 0.32 C ATOM 669 C ARG A 294 -4.944 -10.329 -0.731 1.00 0.30 C ATOM 670 O ARG A 294 -3.912 -10.994 -0.866 1.00 0.37 O ATOM 671 CB ARG A 294 -6.448 -10.389 -2.735 1.00 0.35 C ATOM 672 CG ARG A 294 -7.399 -11.278 -3.523 1.00 0.41 C ATOM 673 CD ARG A 294 -7.726 -10.684 -4.882 1.00 0.44 C ATOM 674 NE ARG A 294 -8.590 -9.510 -4.779 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.159 -8.917 -5.825 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.951 -9.378 -7.052 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.935 -7.859 -5.646 1.00 0.58 N ATOM 0 H ARG A 294 -8.022 -9.705 -0.936 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.271 -11.918 -1.244 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.818 -9.364 -2.756 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.474 -10.387 -3.224 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.952 -12.263 -3.654 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.319 -11.419 -2.956 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.801 -10.409 -5.388 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.214 -11.439 -5.498 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.767 -9.123 -3.852 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.352 -10.191 -7.197 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.390 -8.919 -7.850 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -10.097 -7.498 -4.706 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.371 -7.405 -6.448 1.00 0.58 H new ATOM 691 N ILE A 295 -4.969 -9.156 -0.118 1.00 0.26 N ATOM 692 CA ILE A 295 -3.770 -8.581 0.473 1.00 0.25 C ATOM 693 C ILE A 295 -3.644 -9.051 1.917 1.00 0.25 C ATOM 694 O ILE A 295 -4.620 -9.020 2.672 1.00 0.29 O ATOM 695 CB ILE A 295 -3.788 -7.038 0.426 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.996 -6.557 -1.014 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.495 -6.476 0.998 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.032 -5.049 -1.158 1.00 0.37 C ATOM 0 H ILE A 295 -5.807 -8.583 -0.017 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.912 -8.918 -0.109 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.617 -6.677 1.035 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.195 -6.953 -1.638 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.930 -6.971 -1.394 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.523 -5.387 0.958 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.385 -6.799 2.033 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.650 -6.839 0.413 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.182 -4.787 -2.205 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.851 -4.646 -0.562 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.089 -4.628 -0.810 1.00 0.37 H new ATOM 710 N GLU A 296 -2.457 -9.496 2.292 1.00 0.24 N ATOM 711 CA GLU A 296 -2.218 -9.994 3.637 1.00 0.26 C ATOM 712 C GLU A 296 -0.874 -9.485 4.164 1.00 0.24 C ATOM 713 O GLU A 296 -0.059 -8.969 3.393 1.00 0.22 O ATOM 714 CB GLU A 296 -2.246 -11.527 3.626 1.00 0.31 C ATOM 715 CG GLU A 296 -1.153 -12.149 2.773 1.00 0.36 C ATOM 716 CD GLU A 296 -1.411 -13.607 2.474 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.521 -14.403 3.430 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.508 -13.965 1.280 1.00 0.56 O ATOM 0 H GLU A 296 -1.640 -9.523 1.682 1.00 0.24 H new ATOM 0 HA GLU A 296 -3.002 -9.628 4.300 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.149 -11.891 4.649 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -3.216 -11.862 3.259 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -1.071 -11.598 1.836 1.00 0.36 H new ATOM 0 HG3 GLU A 296 -0.196 -12.050 3.286 1.00 0.36 H new ATOM 725 N PRO A 297 -0.632 -9.591 5.485 1.00 0.26 N ATOM 726 CA PRO A 297 0.632 -9.151 6.081 1.00 0.27 C ATOM 727 C PRO A 297 1.825 -9.842 5.432 1.00 0.27 C ATOM 728 O PRO A 297 1.932 -11.070 5.451 1.00 0.41 O ATOM 729 CB PRO A 297 0.507 -9.566 7.548 1.00 0.32 C ATOM 730 CG PRO A 297 -0.954 -9.690 7.800 1.00 0.34 C ATOM 731 CD PRO A 297 -1.562 -10.128 6.498 1.00 0.32 C ATOM 0 HA PRO A 297 0.800 -8.082 5.949 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.019 -10.510 7.734 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.958 -8.823 8.206 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.154 -10.416 8.588 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.376 -8.740 8.128 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.639 -11.213 6.436 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.568 -9.729 6.371 1.00 0.32 H new ATOM 739 N GLY A 298 2.710 -9.054 4.844 1.00 0.27 N ATOM 740 CA GLY A 298 3.875 -9.613 4.191 1.00 0.28 C ATOM 741 C GLY A 298 3.953 -9.228 2.726 1.00 0.25 C ATOM 742 O GLY A 298 5.029 -9.269 2.129 1.00 0.29 O ATOM 0 H GLY A 298 2.643 -8.037 4.807 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.775 -9.271 4.703 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.852 -10.699 4.278 1.00 0.28 H new ATOM 746 N ASP A 299 2.814 -8.852 2.151 1.00 0.22 N ATOM 747 CA ASP A 299 2.756 -8.451 0.744 1.00 0.22 C ATOM 748 C ASP A 299 3.546 -7.166 0.527 1.00 0.20 C ATOM 749 O ASP A 299 3.528 -6.269 1.372 1.00 0.21 O ATOM 750 CB ASP A 299 1.306 -8.231 0.295 1.00 0.24 C ATOM 751 CG ASP A 299 0.520 -9.519 0.149 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.135 -10.587 -0.046 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.725 -9.470 0.221 1.00 0.28 O ATOM 0 H ASP A 299 1.917 -8.816 2.636 1.00 0.22 H new ATOM 0 HA ASP A 299 3.193 -9.255 0.151 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.804 -7.587 1.017 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.305 -7.703 -0.659 1.00 0.24 H new ATOM 758 N MET A 300 4.247 -7.076 -0.591 1.00 0.21 N ATOM 759 CA MET A 300 5.030 -5.884 -0.894 1.00 0.21 C ATOM 760 C MET A 300 4.290 -4.996 -1.885 1.00 0.19 C ATOM 761 O MET A 300 3.788 -5.477 -2.903 1.00 0.21 O ATOM 762 CB MET A 300 6.406 -6.262 -1.453 1.00 0.27 C ATOM 763 CG MET A 300 7.370 -5.085 -1.542 1.00 0.32 C ATOM 764 SD MET A 300 9.071 -5.595 -1.865 1.00 0.50 S ATOM 765 CE MET A 300 8.990 -5.988 -3.610 1.00 1.26 C ATOM 0 H MET A 300 4.292 -7.807 -1.301 1.00 0.21 H new ATOM 0 HA MET A 300 5.174 -5.331 0.034 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.846 -7.035 -0.822 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.280 -6.694 -2.446 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.041 -4.411 -2.333 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.335 -4.522 -0.609 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.970 -6.319 -3.954 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.261 -6.783 -3.771 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.690 -5.102 -4.169 1.00 1.26 H new ATOM 775 N LEU A 301 4.222 -3.707 -1.589 1.00 0.19 N ATOM 776 CA LEU A 301 3.542 -2.760 -2.461 1.00 0.19 C ATOM 777 C LEU A 301 4.455 -2.334 -3.603 1.00 0.20 C ATOM 778 O LEU A 301 5.557 -1.834 -3.374 1.00 0.24 O ATOM 779 CB LEU A 301 3.096 -1.526 -1.675 1.00 0.23 C ATOM 780 CG LEU A 301 1.888 -1.731 -0.761 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.828 -0.634 0.291 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.601 -1.753 -1.575 1.00 0.47 C ATOM 0 H LEU A 301 4.630 -3.292 -0.751 1.00 0.19 H new ATOM 0 HA LEU A 301 2.662 -3.255 -2.873 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.934 -1.180 -1.069 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.864 -0.730 -2.383 1.00 0.23 H new ATOM 0 HG LEU A 301 1.996 -2.692 -0.257 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.963 -0.794 0.934 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.737 -0.657 0.893 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.742 0.336 -0.199 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.249 -1.900 -0.908 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.488 -0.806 -2.103 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.641 -2.569 -2.297 1.00 0.47 H new ATOM 794 N LEU A 302 3.999 -2.541 -4.828 1.00 0.20 N ATOM 795 CA LEU A 302 4.775 -2.168 -6.001 1.00 0.22 C ATOM 796 C LEU A 302 4.232 -0.882 -6.600 1.00 0.22 C ATOM 797 O LEU A 302 4.826 0.189 -6.476 1.00 0.29 O ATOM 798 CB LEU A 302 4.725 -3.271 -7.064 1.00 0.27 C ATOM 799 CG LEU A 302 5.150 -4.663 -6.605 1.00 0.37 C ATOM 800 CD1 LEU A 302 4.938 -5.663 -7.727 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.603 -4.667 -6.155 1.00 0.46 C ATOM 0 H LEU A 302 3.095 -2.965 -5.036 1.00 0.20 H new ATOM 0 HA LEU A 302 5.808 -2.023 -5.686 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.707 -3.332 -7.448 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.363 -2.974 -7.897 1.00 0.27 H new ATOM 0 HG LEU A 302 4.535 -4.950 -5.752 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.243 -6.655 -7.393 1.00 0.53 H new ATOM 0 HD12 LEU A 302 3.884 -5.682 -8.003 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.535 -5.372 -8.592 1.00 0.53 H new ATOM 0 HD21 LEU A 302 6.881 -5.670 -5.833 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.241 -4.362 -6.984 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.729 -3.972 -5.325 1.00 0.46 H new ATOM 813 N GLN A 303 3.074 -1.000 -7.225 1.00 0.21 N ATOM 814 CA GLN A 303 2.434 0.129 -7.867 1.00 0.22 C ATOM 815 C GLN A 303 1.103 0.448 -7.206 1.00 0.21 C ATOM 816 O GLN A 303 0.301 -0.447 -6.929 1.00 0.25 O ATOM 817 CB GLN A 303 2.229 -0.166 -9.356 1.00 0.27 C ATOM 818 CG GLN A 303 1.310 0.820 -10.059 1.00 0.32 C ATOM 819 CD GLN A 303 0.867 0.340 -11.427 1.00 0.51 C ATOM 820 OE1 GLN A 303 -0.256 0.606 -11.851 1.00 0.68 O ATOM 821 NE2 GLN A 303 1.742 -0.363 -12.129 1.00 0.73 N ATOM 0 H GLN A 303 2.556 -1.875 -7.300 1.00 0.21 H new ATOM 0 HA GLN A 303 3.082 0.999 -7.760 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.199 -0.162 -9.854 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.819 -1.170 -9.464 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.431 0.996 -9.439 1.00 0.32 H new ATOM 0 HG3 GLN A 303 1.823 1.776 -10.163 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.664 -0.563 -11.742 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.494 -0.705 -13.057 1.00 0.73 H new ATOM 830 N VAL A 304 0.884 1.725 -6.952 1.00 0.20 N ATOM 831 CA VAL A 304 -0.350 2.188 -6.349 1.00 0.21 C ATOM 832 C VAL A 304 -0.983 3.239 -7.243 1.00 0.22 C ATOM 833 O VAL A 304 -0.604 4.407 -7.208 1.00 0.26 O ATOM 834 CB VAL A 304 -0.131 2.771 -4.938 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.438 3.315 -4.377 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.452 1.713 -4.009 1.00 0.27 C ATOM 0 H VAL A 304 1.554 2.467 -7.157 1.00 0.20 H new ATOM 0 HA VAL A 304 -1.011 1.327 -6.246 1.00 0.21 H new ATOM 0 HB VAL A 304 0.580 3.594 -5.011 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.265 3.722 -3.381 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.815 4.102 -5.030 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.171 2.511 -4.318 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.600 2.141 -3.018 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.235 0.870 -3.941 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.409 1.370 -4.403 1.00 0.27 H new ATOM 846 N ASN A 305 -1.930 2.798 -8.059 1.00 0.27 N ATOM 847 CA ASN A 305 -2.638 3.669 -8.986 1.00 0.33 C ATOM 848 C ASN A 305 -1.678 4.323 -9.985 1.00 0.31 C ATOM 849 O ASN A 305 -1.349 5.506 -9.864 1.00 0.34 O ATOM 850 CB ASN A 305 -3.437 4.738 -8.233 1.00 0.39 C ATOM 851 CG ASN A 305 -4.464 5.421 -9.117 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.540 6.646 -9.162 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.276 4.634 -9.806 1.00 1.14 N ATOM 0 H ASN A 305 -2.230 1.824 -8.097 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.336 3.048 -9.548 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.941 4.279 -7.382 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.752 5.485 -7.832 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -5.997 5.041 -10.401 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.180 3.621 -9.741 1.00 1.14 H new ATOM 860 N ASP A 306 -1.207 3.518 -10.942 1.00 0.32 N ATOM 861 CA ASP A 306 -0.304 3.964 -12.017 1.00 0.35 C ATOM 862 C ASP A 306 1.144 4.171 -11.560 1.00 0.31 C ATOM 863 O ASP A 306 2.067 3.671 -12.202 1.00 0.35 O ATOM 864 CB ASP A 306 -0.828 5.237 -12.688 1.00 0.42 C ATOM 865 CG ASP A 306 -1.951 4.957 -13.667 1.00 0.66 C ATOM 866 OD1 ASP A 306 -3.117 4.853 -13.229 1.00 1.11 O ATOM 867 OD2 ASP A 306 -1.674 4.841 -14.879 1.00 1.06 O ATOM 0 H ASP A 306 -1.442 2.527 -10.996 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.291 3.149 -12.741 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.181 5.928 -11.923 1.00 0.42 H new ATOM 0 HB3 ASP A 306 -0.009 5.732 -13.211 1.00 0.42 H new ATOM 872 N VAL A 307 1.357 4.906 -10.477 1.00 0.30 N ATOM 873 CA VAL A 307 2.715 5.166 -9.997 1.00 0.29 C ATOM 874 C VAL A 307 3.346 3.940 -9.346 1.00 0.25 C ATOM 875 O VAL A 307 2.750 3.297 -8.479 1.00 0.28 O ATOM 876 CB VAL A 307 2.781 6.357 -9.015 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.961 7.664 -9.773 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.543 6.424 -8.132 1.00 0.53 C ATOM 0 H VAL A 307 0.618 5.331 -9.917 1.00 0.30 H new ATOM 0 HA VAL A 307 3.287 5.422 -10.889 1.00 0.29 H new ATOM 0 HB VAL A 307 3.644 6.202 -8.367 1.00 0.34 H new ATOM 0 HG11 VAL A 307 3.005 8.492 -9.065 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.887 7.627 -10.347 1.00 0.71 H new ATOM 0 HG13 VAL A 307 2.120 7.811 -10.450 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.625 7.274 -7.454 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.657 6.541 -8.756 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.459 5.505 -7.552 1.00 0.53 H new ATOM 888 N ASN A 308 4.561 3.626 -9.778 1.00 0.25 N ATOM 889 CA ASN A 308 5.306 2.485 -9.254 1.00 0.25 C ATOM 890 C ASN A 308 6.391 2.959 -8.292 1.00 0.24 C ATOM 891 O ASN A 308 7.264 3.743 -8.666 1.00 0.33 O ATOM 892 CB ASN A 308 5.933 1.686 -10.402 1.00 0.33 C ATOM 893 CG ASN A 308 6.716 0.478 -9.916 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.399 -0.110 -8.886 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.743 0.097 -10.660 1.00 0.74 N ATOM 0 H ASN A 308 5.057 4.151 -10.498 1.00 0.25 H new ATOM 0 HA ASN A 308 4.615 1.838 -8.713 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.147 1.355 -11.081 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.595 2.337 -10.973 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.301 -0.711 -10.383 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.976 0.611 -11.510 1.00 0.74 H new ATOM 902 N PHE A 309 6.351 2.455 -7.065 1.00 0.22 N ATOM 903 CA PHE A 309 7.312 2.850 -6.038 1.00 0.24 C ATOM 904 C PHE A 309 8.480 1.868 -5.953 1.00 0.26 C ATOM 905 O PHE A 309 9.332 1.988 -5.074 1.00 0.30 O ATOM 906 CB PHE A 309 6.630 2.939 -4.668 1.00 0.28 C ATOM 907 CG PHE A 309 5.395 3.799 -4.640 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.393 5.056 -5.219 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.238 3.345 -4.030 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.260 5.846 -5.191 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.100 4.129 -3.998 1.00 0.33 C ATOM 912 CZ PHE A 309 3.111 5.380 -4.580 1.00 0.33 C ATOM 0 H PHE A 309 5.662 1.770 -6.754 1.00 0.22 H new ATOM 0 HA PHE A 309 7.700 3.829 -6.320 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.364 1.933 -4.342 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.346 3.330 -3.945 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.288 5.424 -5.699 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.224 2.366 -3.574 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.272 6.826 -5.646 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.204 3.763 -3.518 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.223 5.994 -4.558 1.00 0.33 H new ATOM 922 N GLU A 310 8.529 0.917 -6.880 1.00 0.29 N ATOM 923 CA GLU A 310 9.585 -0.098 -6.895 1.00 0.33 C ATOM 924 C GLU A 310 10.973 0.510 -7.117 1.00 0.35 C ATOM 925 O GLU A 310 11.989 -0.166 -6.938 1.00 0.47 O ATOM 926 CB GLU A 310 9.302 -1.137 -7.981 1.00 0.40 C ATOM 927 CG GLU A 310 9.552 -2.568 -7.535 1.00 0.54 C ATOM 928 CD GLU A 310 9.717 -3.514 -8.706 1.00 0.67 C ATOM 929 OE1 GLU A 310 10.818 -3.545 -9.298 1.00 1.21 O ATOM 930 OE2 GLU A 310 8.753 -4.227 -9.044 1.00 1.04 O ATOM 0 H GLU A 310 7.849 0.825 -7.635 1.00 0.29 H new ATOM 0 HA GLU A 310 9.585 -0.574 -5.915 1.00 0.33 H new ATOM 0 HB2 GLU A 310 8.265 -1.041 -8.302 1.00 0.40 H new ATOM 0 HB3 GLU A 310 9.925 -0.922 -8.849 1.00 0.40 H new ATOM 0 HG2 GLU A 310 10.448 -2.602 -6.914 1.00 0.54 H new ATOM 0 HG3 GLU A 310 8.721 -2.903 -6.914 1.00 0.54 H new ATOM 937 N ASN A 311 11.019 1.775 -7.510 1.00 0.35 N ATOM 938 CA ASN A 311 12.292 2.450 -7.746 1.00 0.41 C ATOM 939 C ASN A 311 12.369 3.748 -6.946 1.00 0.37 C ATOM 940 O ASN A 311 13.069 4.686 -7.320 1.00 0.48 O ATOM 941 CB ASN A 311 12.477 2.742 -9.238 1.00 0.54 C ATOM 942 CG ASN A 311 13.921 3.035 -9.601 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.851 2.498 -8.996 1.00 1.27 O ATOM 944 ND2 ASN A 311 14.117 3.892 -10.589 1.00 1.32 N ATOM 0 H ASN A 311 10.195 2.354 -7.672 1.00 0.35 H new ATOM 0 HA ASN A 311 13.093 1.789 -7.416 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.127 1.888 -9.818 1.00 0.54 H new ATOM 0 HB3 ASN A 311 11.856 3.593 -9.518 1.00 0.54 H new ATOM 0 HD21 ASN A 311 15.066 4.131 -10.876 1.00 1.32 H new ATOM 0 HD22 ASN A 311 13.319 4.314 -11.064 1.00 1.32 H new ATOM 951 N MET A 312 11.651 3.795 -5.837 1.00 0.30 N ATOM 952 CA MET A 312 11.637 4.977 -4.988 1.00 0.28 C ATOM 953 C MET A 312 12.010 4.598 -3.563 1.00 0.26 C ATOM 954 O MET A 312 11.973 3.422 -3.204 1.00 0.34 O ATOM 955 CB MET A 312 10.258 5.643 -5.023 1.00 0.28 C ATOM 956 CG MET A 312 9.880 6.188 -6.393 1.00 0.39 C ATOM 957 SD MET A 312 8.159 6.712 -6.494 1.00 0.37 S ATOM 958 CE MET A 312 8.156 8.121 -5.386 1.00 0.51 C ATOM 0 H MET A 312 11.069 3.028 -5.502 1.00 0.30 H new ATOM 0 HA MET A 312 12.371 5.690 -5.364 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.506 4.919 -4.709 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.238 6.458 -4.299 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.526 7.033 -6.632 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.065 5.422 -7.146 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.498 8.894 -5.782 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.801 7.810 -4.403 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.168 8.517 -5.298 1.00 0.51 H new ATOM 968 N SER A 313 12.377 5.587 -2.760 1.00 0.26 N ATOM 969 CA SER A 313 12.754 5.335 -1.378 1.00 0.28 C ATOM 970 C SER A 313 11.528 4.981 -0.542 1.00 0.24 C ATOM 971 O SER A 313 10.401 5.324 -0.905 1.00 0.26 O ATOM 972 CB SER A 313 13.467 6.556 -0.795 1.00 0.36 C ATOM 973 OG SER A 313 12.727 7.738 -1.040 1.00 0.97 O ATOM 0 H SER A 313 12.421 6.567 -3.041 1.00 0.26 H new ATOM 0 HA SER A 313 13.438 4.487 -1.354 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.604 6.424 0.278 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.460 6.646 -1.235 1.00 0.36 H new ATOM 0 HG SER A 313 13.201 8.506 -0.657 1.00 0.97 H new ATOM 979 N ASN A 314 11.757 4.301 0.577 1.00 0.26 N ATOM 980 CA ASN A 314 10.676 3.888 1.473 1.00 0.27 C ATOM 981 C ASN A 314 9.827 5.082 1.899 1.00 0.25 C ATOM 982 O ASN A 314 8.598 5.008 1.920 1.00 0.33 O ATOM 983 CB ASN A 314 11.248 3.202 2.717 1.00 0.35 C ATOM 984 CG ASN A 314 12.127 2.010 2.390 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.878 1.272 1.438 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.177 1.824 3.173 1.00 0.48 N ATOM 0 H ASN A 314 12.687 4.022 0.889 1.00 0.26 H new ATOM 0 HA ASN A 314 10.044 3.187 0.928 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.827 3.926 3.290 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.426 2.876 3.354 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.813 1.047 2.997 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.350 2.458 3.953 1.00 0.48 H new ATOM 993 N ASP A 315 10.493 6.180 2.234 1.00 0.26 N ATOM 994 CA ASP A 315 9.807 7.397 2.665 1.00 0.28 C ATOM 995 C ASP A 315 8.949 7.962 1.543 1.00 0.23 C ATOM 996 O ASP A 315 7.754 8.194 1.721 1.00 0.24 O ATOM 997 CB ASP A 315 10.816 8.455 3.116 1.00 0.37 C ATOM 998 CG ASP A 315 11.553 8.065 4.379 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.924 8.031 5.455 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.771 7.799 4.301 1.00 1.40 O ATOM 0 H ASP A 315 11.510 6.255 2.216 1.00 0.26 H new ATOM 0 HA ASP A 315 9.164 7.135 3.505 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.538 8.625 2.318 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.296 9.399 3.281 1.00 0.37 H new ATOM 1005 N ASP A 316 9.568 8.159 0.380 1.00 0.23 N ATOM 1006 CA ASP A 316 8.876 8.705 -0.787 1.00 0.24 C ATOM 1007 C ASP A 316 7.680 7.839 -1.175 1.00 0.19 C ATOM 1008 O ASP A 316 6.627 8.351 -1.553 1.00 0.20 O ATOM 1009 CB ASP A 316 9.833 8.808 -1.980 1.00 0.32 C ATOM 1010 CG ASP A 316 10.772 10.000 -1.903 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.719 10.759 -0.906 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.579 10.181 -2.843 1.00 0.88 O ATOM 0 H ASP A 316 10.553 7.947 0.220 1.00 0.23 H new ATOM 0 HA ASP A 316 8.518 9.699 -0.520 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.423 7.894 -2.042 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.250 8.874 -2.899 1.00 0.32 H new ATOM 1017 N ALA A 317 7.856 6.528 -1.076 1.00 0.17 N ATOM 1018 CA ALA A 317 6.809 5.573 -1.417 1.00 0.16 C ATOM 1019 C ALA A 317 5.536 5.809 -0.605 1.00 0.14 C ATOM 1020 O ALA A 317 4.455 5.985 -1.168 1.00 0.17 O ATOM 1021 CB ALA A 317 7.319 4.155 -1.209 1.00 0.20 C ATOM 0 H ALA A 317 8.725 6.098 -0.758 1.00 0.17 H new ATOM 0 HA ALA A 317 6.552 5.716 -2.467 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.533 3.444 -1.465 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.186 3.983 -1.847 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.604 4.020 -0.166 1.00 0.20 H new ATOM 1027 N VAL A 318 5.665 5.834 0.717 1.00 0.12 N ATOM 1028 CA VAL A 318 4.506 6.034 1.582 1.00 0.12 C ATOM 1029 C VAL A 318 3.988 7.460 1.483 1.00 0.11 C ATOM 1030 O VAL A 318 2.788 7.698 1.636 1.00 0.14 O ATOM 1031 CB VAL A 318 4.800 5.696 3.059 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.503 5.487 3.824 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.683 4.463 3.155 1.00 0.21 C ATOM 0 H VAL A 318 6.551 5.720 1.210 1.00 0.12 H new ATOM 0 HA VAL A 318 3.742 5.343 1.227 1.00 0.12 H new ATOM 0 HB VAL A 318 5.332 6.535 3.508 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.728 5.249 4.864 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.905 6.397 3.781 1.00 0.18 H new ATOM 0 HG13 VAL A 318 2.945 4.664 3.376 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.881 4.238 4.203 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.177 3.616 2.691 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.625 4.649 2.640 1.00 0.21 H new ATOM 1043 N ARG A 319 4.891 8.402 1.227 1.00 0.12 N ATOM 1044 CA ARG A 319 4.511 9.802 1.089 1.00 0.16 C ATOM 1045 C ARG A 319 3.444 9.948 0.015 1.00 0.14 C ATOM 1046 O ARG A 319 2.383 10.522 0.259 1.00 0.22 O ATOM 1047 CB ARG A 319 5.724 10.663 0.738 1.00 0.21 C ATOM 1048 CG ARG A 319 6.512 11.131 1.949 1.00 0.35 C ATOM 1049 CD ARG A 319 7.805 11.815 1.536 1.00 0.40 C ATOM 1050 NE ARG A 319 8.544 12.325 2.685 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.872 12.285 2.800 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.620 11.771 1.825 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.451 12.768 3.890 1.00 0.81 N ATOM 0 H ARG A 319 5.888 8.221 1.111 1.00 0.12 H new ATOM 0 HA ARG A 319 4.111 10.144 2.043 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.385 10.095 0.083 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.389 11.534 0.175 1.00 0.21 H new ATOM 0 HG2 ARG A 319 5.905 11.820 2.536 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.738 10.279 2.590 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.429 11.110 0.987 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.579 12.637 0.856 1.00 0.40 H new ATOM 0 HE ARG A 319 8.011 12.739 3.450 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.178 11.404 0.982 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.635 11.744 1.921 1.00 0.83 H new ATOM 0 HH21 ARG A 319 9.881 13.168 4.636 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.466 12.740 3.983 1.00 0.81 H new ATOM 1067 N VAL A 320 3.724 9.403 -1.165 1.00 0.10 N ATOM 1068 CA VAL A 320 2.787 9.464 -2.279 1.00 0.10 C ATOM 1069 C VAL A 320 1.565 8.592 -1.997 1.00 0.09 C ATOM 1070 O VAL A 320 0.440 8.961 -2.335 1.00 0.11 O ATOM 1071 CB VAL A 320 3.450 9.015 -3.602 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.503 9.210 -4.777 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.749 9.772 -3.837 1.00 0.17 C ATOM 0 H VAL A 320 4.594 8.914 -1.373 1.00 0.10 H new ATOM 0 HA VAL A 320 2.474 10.503 -2.387 1.00 0.10 H new ATOM 0 HB VAL A 320 3.679 7.953 -3.520 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.992 8.887 -5.696 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.601 8.619 -4.619 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.237 10.264 -4.859 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.199 9.441 -4.773 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.542 10.841 -3.892 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.437 9.577 -3.015 1.00 0.17 H new ATOM 1083 N LEU A 321 1.792 7.444 -1.360 1.00 0.08 N ATOM 1084 CA LEU A 321 0.710 6.522 -1.023 1.00 0.09 C ATOM 1085 C LEU A 321 -0.358 7.227 -0.196 1.00 0.09 C ATOM 1086 O LEU A 321 -1.547 7.162 -0.506 1.00 0.10 O ATOM 1087 CB LEU A 321 1.251 5.322 -0.238 1.00 0.11 C ATOM 1088 CG LEU A 321 0.209 4.265 0.150 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.639 3.865 -1.043 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.894 3.046 0.740 1.00 0.29 C ATOM 0 H LEU A 321 2.717 7.131 -1.067 1.00 0.08 H new ATOM 0 HA LEU A 321 0.266 6.171 -1.955 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.028 4.841 -0.833 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.727 5.689 0.671 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.451 4.701 0.900 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.368 3.115 -0.736 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -1.160 4.741 -1.429 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.001 3.451 -1.822 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.144 2.303 1.011 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.577 2.621 0.004 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.454 3.338 1.629 1.00 0.29 H new ATOM 1102 N ARG A 322 0.083 7.921 0.843 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.827 8.634 1.723 1.00 0.12 C ATOM 1104 C ARG A 322 -1.581 9.718 0.969 1.00 0.13 C ATOM 1105 O ARG A 322 -2.757 9.950 1.227 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.074 9.224 2.916 1.00 0.15 C ATOM 1107 CG ARG A 322 0.527 8.163 3.825 1.00 0.19 C ATOM 1108 CD ARG A 322 1.116 8.775 5.085 1.00 0.34 C ATOM 1109 NE ARG A 322 0.133 9.540 5.851 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.264 10.834 6.152 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.329 11.518 5.744 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -0.671 11.439 6.872 1.00 1.28 N ATOM 0 H ARG A 322 1.067 8.005 1.096 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.559 7.920 2.101 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.721 9.874 2.551 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.755 9.848 3.496 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.241 7.438 4.096 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.303 7.619 3.287 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.524 7.983 5.713 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.947 9.426 4.814 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.704 9.055 6.175 1.00 0.49 H new ATOM 0 HH11 ARG A 322 2.054 11.054 5.196 1.00 1.57 H new ATOM 0 HH12 ARG A 322 1.421 12.506 5.979 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.486 10.916 7.193 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -0.576 12.428 7.105 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.912 10.351 0.014 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.531 11.405 -0.784 1.00 0.15 C ATOM 1128 C GLU A 323 -2.671 10.847 -1.631 1.00 0.14 C ATOM 1129 O GLU A 323 -3.693 11.507 -1.827 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.486 12.073 -1.679 1.00 0.20 C ATOM 1131 CG GLU A 323 0.622 12.758 -0.900 1.00 0.62 C ATOM 1132 CD GLU A 323 0.107 13.866 -0.005 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.024 15.008 -0.491 1.00 1.87 O ATOM 1134 OE2 GLU A 323 -0.160 13.602 1.188 1.00 1.76 O ATOM 0 H GLU A 323 0.059 10.154 -0.228 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.944 12.151 -0.104 1.00 0.15 H new ATOM 0 HB2 GLU A 323 -0.048 11.322 -2.337 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.979 12.806 -2.317 1.00 0.20 H new ATOM 0 HG2 GLU A 323 1.144 12.019 -0.293 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.351 13.169 -1.598 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.495 9.625 -2.124 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.512 8.972 -2.943 1.00 0.14 C ATOM 1143 C ILE A 324 -4.685 8.521 -2.079 1.00 0.14 C ATOM 1144 O ILE A 324 -5.844 8.661 -2.463 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.932 7.758 -3.708 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.736 8.192 -4.559 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.999 7.113 -4.588 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.994 7.042 -5.204 1.00 0.29 C ATOM 0 H ILE A 324 -1.656 9.066 -1.970 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.861 9.702 -3.673 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.598 7.020 -2.978 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.084 8.870 -5.338 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.042 8.754 -3.934 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.569 6.262 -5.116 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.827 6.773 -3.966 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.364 7.842 -5.311 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.161 7.430 -5.790 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.614 6.375 -4.430 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.672 6.492 -5.857 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.377 7.993 -0.902 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.409 7.530 0.020 1.00 0.13 C ATOM 1162 C VAL A 325 -6.176 8.721 0.605 1.00 0.16 C ATOM 1163 O VAL A 325 -7.318 8.591 1.051 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.812 6.655 1.153 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.909 6.118 2.061 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -4.005 5.510 0.561 1.00 0.16 C ATOM 0 H VAL A 325 -3.423 7.874 -0.562 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.104 6.907 -0.544 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.150 7.278 1.755 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.464 5.508 2.847 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.450 6.951 2.510 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.600 5.510 1.477 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.591 4.903 1.366 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.652 4.893 -0.063 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.193 5.912 -0.045 1.00 0.16 H new ATOM 1176 N SER A 326 -5.550 9.892 0.569 1.00 0.19 N ATOM 1177 CA SER A 326 -6.173 11.108 1.069 1.00 0.24 C ATOM 1178 C SER A 326 -6.944 11.806 -0.051 1.00 0.27 C ATOM 1179 O SER A 326 -7.026 13.033 -0.092 1.00 0.44 O ATOM 1180 CB SER A 326 -5.114 12.051 1.651 1.00 0.32 C ATOM 1181 OG SER A 326 -4.354 11.407 2.661 1.00 0.37 O ATOM 0 H SER A 326 -4.609 10.023 0.197 1.00 0.19 H new ATOM 0 HA SER A 326 -6.872 10.840 1.861 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.451 12.393 0.856 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.599 12.935 2.065 1.00 0.32 H new ATOM 0 HG SER A 326 -3.635 10.885 2.247 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.503 11.014 -0.956 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.273 11.540 -2.073 1.00 0.32 C ATOM 1189 C GLN A 327 -9.438 10.605 -2.380 1.00 0.34 C ATOM 1190 O GLN A 327 -9.515 9.508 -1.826 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.379 11.697 -3.305 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.782 12.851 -4.211 1.00 0.63 C ATOM 1193 CD GLN A 327 -7.642 14.202 -3.538 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -8.578 14.698 -2.910 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -6.471 14.803 -3.659 1.00 0.94 N ATOM 0 H GLN A 327 -7.436 9.996 -0.937 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.666 12.521 -1.805 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.349 11.845 -2.979 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.401 10.771 -3.879 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -7.167 12.833 -5.111 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.816 12.714 -4.529 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -5.721 14.358 -4.188 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -6.317 15.712 -3.223 1.00 0.94 H new ATOM 1204 N THR A 328 -10.340 11.036 -3.248 1.00 0.42 N ATOM 1205 CA THR A 328 -11.495 10.229 -3.609 1.00 0.49 C ATOM 1206 C THR A 328 -11.262 9.470 -4.915 1.00 0.51 C ATOM 1207 O THR A 328 -10.531 9.934 -5.798 1.00 0.84 O ATOM 1208 CB THR A 328 -12.749 11.111 -3.748 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.361 12.468 -4.025 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.588 11.065 -2.480 1.00 0.89 C ATOM 0 H THR A 328 -10.294 11.941 -3.716 1.00 0.42 H new ATOM 0 HA THR A 328 -11.646 9.504 -2.809 1.00 0.49 H new ATOM 0 HB THR A 328 -13.350 10.727 -4.573 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.162 13.025 -4.114 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.468 11.696 -2.603 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.901 10.039 -2.288 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.997 11.427 -1.639 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.882 8.302 -5.030 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.744 7.496 -6.225 1.00 0.44 C ATOM 1220 C GLY A 329 -11.245 6.098 -5.922 1.00 0.39 C ATOM 1221 O GLY A 329 -10.647 5.871 -4.871 1.00 0.43 O ATOM 0 H GLY A 329 -12.482 7.898 -4.311 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.707 7.434 -6.732 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -11.053 7.985 -6.912 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.482 5.137 -6.829 1.00 0.40 N ATOM 1226 CA PRO A 330 -11.044 3.746 -6.650 1.00 0.39 C ATOM 1227 C PRO A 330 -9.523 3.626 -6.646 1.00 0.36 C ATOM 1228 O PRO A 330 -8.843 4.198 -7.499 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.632 3.027 -7.864 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.857 4.091 -8.879 1.00 0.58 C ATOM 1231 CD PRO A 330 -12.194 5.333 -8.107 1.00 0.52 C ATOM 0 HA PRO A 330 -11.372 3.331 -5.697 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.949 2.264 -8.238 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.564 2.523 -7.609 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.968 4.241 -9.491 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.667 3.820 -9.556 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.856 6.232 -8.623 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -13.269 5.436 -7.958 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.990 2.881 -5.688 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.547 2.718 -5.579 1.00 0.25 C ATOM 1241 C ILE A 331 -7.096 1.355 -6.097 1.00 0.25 C ATOM 1242 O ILE A 331 -7.531 0.311 -5.601 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.064 2.896 -4.121 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.489 4.266 -3.584 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.551 2.739 -4.038 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.149 4.483 -2.124 1.00 0.35 C ATOM 0 H ILE A 331 -9.530 2.383 -4.980 1.00 0.27 H new ATOM 0 HA ILE A 331 -7.099 3.496 -6.197 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.525 2.123 -3.506 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -7.009 5.044 -4.178 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.565 4.380 -3.718 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.228 2.867 -3.005 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.269 1.745 -4.386 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.072 3.492 -4.664 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.481 5.475 -1.817 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.650 3.729 -1.518 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.071 4.402 -1.986 1.00 0.35 H new ATOM 1258 N SER A 332 -6.240 1.376 -7.110 1.00 0.28 N ATOM 1259 CA SER A 332 -5.703 0.160 -7.696 1.00 0.31 C ATOM 1260 C SER A 332 -4.377 -0.203 -7.029 1.00 0.27 C ATOM 1261 O SER A 332 -3.361 0.469 -7.229 1.00 0.31 O ATOM 1262 CB SER A 332 -5.514 0.357 -9.200 1.00 0.41 C ATOM 1263 OG SER A 332 -5.295 1.726 -9.507 1.00 1.09 O ATOM 0 H SER A 332 -5.901 2.234 -7.546 1.00 0.28 H new ATOM 0 HA SER A 332 -6.403 -0.660 -7.534 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.668 -0.237 -9.545 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.395 -0.003 -9.732 1.00 0.41 H new ATOM 0 HG SER A 332 -6.156 2.168 -9.662 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.392 -1.259 -6.233 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.196 -1.689 -5.521 1.00 0.26 C ATOM 1271 C LEU A 333 -2.553 -2.901 -6.183 1.00 0.26 C ATOM 1272 O LEU A 333 -3.194 -3.937 -6.364 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.530 -2.023 -4.064 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.994 -0.846 -3.205 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.431 -1.328 -1.832 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.887 0.188 -3.077 1.00 0.39 C ATOM 0 H LEU A 333 -5.217 -1.835 -6.062 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.486 -0.862 -5.553 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.309 -2.786 -4.054 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.647 -2.463 -3.599 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.849 -0.379 -3.694 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.758 -0.477 -1.235 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.255 -2.034 -1.939 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.594 -1.820 -1.336 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.234 1.019 -2.463 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -2.015 -0.269 -2.610 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.617 0.557 -4.067 1.00 0.39 H new ATOM 1288 N THR A 334 -1.289 -2.760 -6.551 1.00 0.24 N ATOM 1289 CA THR A 334 -0.540 -3.842 -7.164 1.00 0.26 C ATOM 1290 C THR A 334 0.486 -4.373 -6.166 1.00 0.26 C ATOM 1291 O THR A 334 1.504 -3.726 -5.904 1.00 0.28 O ATOM 1292 CB THR A 334 0.172 -3.357 -8.438 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.689 -2.465 -9.160 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.553 -4.523 -9.332 1.00 0.42 C ATOM 0 H THR A 334 -0.758 -1.897 -6.433 1.00 0.24 H new ATOM 0 HA THR A 334 -1.231 -4.638 -7.440 1.00 0.26 H new ATOM 0 HB THR A 334 1.084 -2.838 -8.142 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.664 -1.578 -8.744 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.054 -4.149 -10.224 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.224 -5.191 -8.792 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.345 -5.068 -9.622 1.00 0.42 H new ATOM 1302 N VAL A 335 0.204 -5.531 -5.591 1.00 0.26 N ATOM 1303 CA VAL A 335 1.095 -6.118 -4.601 1.00 0.28 C ATOM 1304 C VAL A 335 1.864 -7.310 -5.156 1.00 0.28 C ATOM 1305 O VAL A 335 1.419 -7.983 -6.093 1.00 0.32 O ATOM 1306 CB VAL A 335 0.332 -6.560 -3.331 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.189 -5.351 -2.572 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.809 -7.512 -3.678 1.00 0.31 C ATOM 0 H VAL A 335 -0.631 -6.082 -5.791 1.00 0.26 H new ATOM 0 HA VAL A 335 1.804 -5.333 -4.338 1.00 0.28 H new ATOM 0 HB VAL A 335 1.031 -7.095 -2.688 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.723 -5.683 -1.682 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.648 -4.717 -2.278 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.866 -4.784 -3.211 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.328 -7.806 -2.766 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.509 -7.012 -4.348 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.407 -8.398 -4.169 1.00 0.31 H new ATOM 1318 N ALA A 336 3.027 -7.549 -4.570 1.00 0.28 N ATOM 1319 CA ALA A 336 3.878 -8.656 -4.960 1.00 0.31 C ATOM 1320 C ALA A 336 3.870 -9.726 -3.885 1.00 0.33 C ATOM 1321 O ALA A 336 4.379 -9.521 -2.781 1.00 0.38 O ATOM 1322 CB ALA A 336 5.295 -8.175 -5.215 1.00 0.34 C ATOM 0 H ALA A 336 3.405 -6.980 -3.812 1.00 0.28 H new ATOM 0 HA ALA A 336 3.489 -9.084 -5.884 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.919 -9.020 -5.507 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.290 -7.435 -6.015 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.695 -7.725 -4.307 1.00 0.34 H new ATOM 1328 N LYS A 337 3.274 -10.856 -4.207 1.00 0.36 N ATOM 1329 CA LYS A 337 3.193 -11.967 -3.282 1.00 0.40 C ATOM 1330 C LYS A 337 4.114 -13.082 -3.752 1.00 0.47 C ATOM 1331 O LYS A 337 3.659 -13.936 -4.538 1.00 0.60 O ATOM 1332 CB LYS A 337 1.752 -12.483 -3.189 1.00 0.41 C ATOM 1333 CG LYS A 337 0.711 -11.384 -3.030 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.710 -11.941 -3.059 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.990 -12.847 -1.870 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.005 -12.095 -0.591 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.301 -13.080 -3.378 1.00 0.70 O ATOM 0 H LYS A 337 2.835 -11.029 -5.111 1.00 0.36 H new ATOM 0 HA LYS A 337 3.503 -11.630 -2.293 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.524 -13.058 -4.086 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.676 -13.167 -2.344 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.877 -10.860 -2.089 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.831 -10.652 -3.828 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.423 -11.116 -3.063 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.862 -12.498 -3.983 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.950 -13.343 -2.010 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.231 -13.628 -1.823 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.502 -12.652 0.133 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.028 -11.917 -0.281 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.496 -11.188 -0.727 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.995 4.344 7.722 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.984 3.123 7.892 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.300 5.074 7.429 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.452 4.089 7.246 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.772 4.742 6.907 1.00 0.38 C HETATM 1357 C4 PHQ B 1 5.868 6.141 6.797 1.00 1.30 C HETATM 1358 C5 PHQ B 1 6.995 6.715 6.186 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.104 5.909 5.868 1.00 0.84 C HETATM 1360 C7 PHQ B 1 8.059 4.525 6.118 1.00 1.38 C HETATM 1361 C8 PHQ B 1 6.911 3.953 6.692 1.00 1.29 C HETATM 0 H81 PHQ B 1 6.906 2.899 6.969 1.00 1.29 H new HETATM 0 H71 PHQ B 1 8.914 3.897 5.867 1.00 1.38 H new HETATM 0 H61 PHQ B 1 8.996 6.356 5.429 1.00 0.84 H new HETATM 0 H51 PHQ B 1 7.011 7.781 5.959 1.00 1.42 H new HETATM 0 H41 PHQ B 1 5.072 6.777 7.184 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.570 3.510 8.162 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.193 3.386 6.455 1.00 0.31 H new ATOM 1369 N TRP B 2 0.865 5.034 7.790 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.428 4.405 8.069 1.00 0.13 C ATOM 1371 C TRP B 2 -1.517 5.048 7.223 1.00 0.14 C ATOM 1372 O TRP B 2 -1.603 6.277 7.152 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.793 4.554 9.548 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.284 3.453 10.429 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.967 3.342 10.964 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.023 2.316 10.893 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.053 2.201 11.727 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.155 1.554 11.700 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.333 1.864 10.702 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.556 0.373 12.316 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.727 0.692 11.313 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.843 -0.043 12.112 1.00 0.39 C ATOM 0 HA TRP B 2 -0.348 3.346 7.824 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.401 5.504 9.912 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.878 4.602 9.638 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.771 4.047 10.811 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.882 1.887 12.232 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.023 2.423 10.087 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.124 -0.195 12.933 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.736 0.335 11.172 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.184 -0.956 12.576 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.331 4.225 6.574 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.422 4.725 5.750 1.00 0.11 C ATOM 1395 C VAL B 3 -4.561 3.722 5.712 1.00 0.14 C ATOM 1396 O VAL B 3 -5.732 4.146 5.602 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.988 5.054 4.304 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.643 6.524 4.182 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.817 4.193 3.837 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.283 2.514 5.819 1.00 0.27 O ATOM 0 H VAL B 3 -2.256 3.208 6.603 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.751 5.655 6.214 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.833 4.825 3.654 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.339 6.743 3.158 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.516 7.125 4.437 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.826 6.764 4.862 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.551 4.464 2.815 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.961 4.358 4.491 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.102 3.142 3.871 1.00 0.11 H new TER 1410 VAL B 3