USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 253 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 248 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.61) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.451 K(o=0.45,f=-5.8!) USER MOD Single : A 256 MET CE :methyl -166:sc=-0.00673 (180deg=-0.22) USER MOD Single : A 259 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.6!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 265 SER OG : rot 100:sc= 0.165 USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 279 TYR OH : rot 180:sc= 0 USER MOD Single : A 282 SER OG : rot 180:sc= 0 USER MOD Single : A 284 MET CE :methyl -122:sc= -0.108 (180deg=-0.425) USER MOD Single : A 285 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0458) USER MOD Single : A 300 MET CE :methyl 177:sc= -0.388 (180deg=-0.393) USER MOD Single : A 303 GLN :FLIP amide:sc= -0.006 F(o=-0.92,f=-0.006) USER MOD Single : A 305 ASN : amide:sc= 1.57 K(o=1.6,f=-6.1!) USER MOD Single : A 308 ASN : amide:sc= 0.285 K(o=0.28,f=-2.5!) USER MOD Single : A 311 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.6!) USER MOD Single : A 312 MET CE :methyl 134:sc= -0.0243 (180deg=-0.598) USER MOD Single : A 313 SER OG : rot 131:sc= 1.39 USER MOD Single : A 314 ASN : amide:sc= 0.375 K(o=0.37,f=-0.84) USER MOD Single : A 326 SER OG : rot 75:sc= 1.26 USER MOD Single : A 327 GLN :FLIP amide:sc= -0.083 F(o=-0.71,f=-0.083) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.00882 USER MOD Single : A 334 THR OG1 : rot 71:sc= -0.746 USER MOD Single : A 337 LYS NZ :NH3+ -163:sc= 0.829! (180deg=0.527!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.525 -14.162 -6.599 1.00 0.52 N ATOM 2 CA ASN A 248 3.153 -14.015 -7.130 1.00 0.49 C ATOM 3 C ASN A 248 2.662 -12.582 -6.953 1.00 0.44 C ATOM 4 O ASN A 248 2.380 -12.148 -5.839 1.00 0.47 O ATOM 5 CB ASN A 248 2.201 -14.982 -6.422 1.00 0.57 C ATOM 6 CG ASN A 248 0.785 -14.897 -6.953 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.563 -14.562 -8.115 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.187 -15.208 -6.106 1.00 1.26 N ATOM 0 HA ASN A 248 3.171 -14.251 -8.194 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.569 -16.001 -6.541 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.198 -14.767 -5.354 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.160 -15.174 -6.411 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.038 -15.481 -5.149 1.00 1.26 H new ATOM 17 N ILE A 249 2.567 -11.850 -8.052 1.00 0.45 N ATOM 18 CA ILE A 249 2.105 -10.470 -8.015 1.00 0.43 C ATOM 19 C ILE A 249 0.623 -10.403 -8.369 1.00 0.42 C ATOM 20 O ILE A 249 0.196 -10.954 -9.387 1.00 0.50 O ATOM 21 CB ILE A 249 2.912 -9.579 -8.983 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.406 -9.664 -8.660 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.434 -8.134 -8.911 1.00 0.50 C ATOM 24 CD1 ILE A 249 5.286 -8.934 -9.652 1.00 0.65 C ATOM 0 H ILE A 249 2.804 -12.190 -8.984 1.00 0.45 H new ATOM 0 HA ILE A 249 2.255 -10.096 -7.002 1.00 0.43 H new ATOM 0 HB ILE A 249 2.752 -9.941 -9.999 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.577 -9.253 -7.665 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.703 -10.712 -8.628 1.00 0.54 H new ATOM 0 HG21 ILE A 249 3.016 -7.523 -9.601 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.380 -8.085 -9.184 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.564 -7.758 -7.896 1.00 0.50 H new ATOM 0 HD11 ILE A 249 6.330 -9.039 -9.358 1.00 0.65 H new ATOM 0 HD12 ILE A 249 5.145 -9.359 -10.646 1.00 0.65 H new ATOM 0 HD13 ILE A 249 5.018 -7.878 -9.668 1.00 0.65 H new ATOM 36 N ILE A 250 -0.158 -9.743 -7.526 1.00 0.39 N ATOM 37 CA ILE A 250 -1.593 -9.623 -7.747 1.00 0.41 C ATOM 38 C ILE A 250 -2.035 -8.164 -7.712 1.00 0.37 C ATOM 39 O ILE A 250 -1.686 -7.421 -6.794 1.00 0.36 O ATOM 40 CB ILE A 250 -2.399 -10.414 -6.690 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.881 -11.849 -6.577 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.885 -10.413 -7.035 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.472 -12.619 -5.418 1.00 0.54 C ATOM 0 H ILE A 250 0.178 -9.281 -6.681 1.00 0.39 H new ATOM 0 HA ILE A 250 -1.793 -10.041 -8.734 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.267 -9.923 -5.726 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.101 -12.379 -7.504 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -0.796 -11.827 -6.472 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.434 -10.975 -6.279 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.251 -9.387 -7.062 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.032 -10.877 -8.010 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.058 -13.627 -5.402 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.230 -12.113 -4.484 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.555 -12.673 -5.532 1.00 0.54 H new ATOM 55 N THR A 251 -2.791 -7.759 -8.722 1.00 0.40 N ATOM 56 CA THR A 251 -3.306 -6.402 -8.798 1.00 0.39 C ATOM 57 C THR A 251 -4.773 -6.388 -8.371 1.00 0.40 C ATOM 58 O THR A 251 -5.631 -6.928 -9.069 1.00 0.48 O ATOM 59 CB THR A 251 -3.185 -5.836 -10.226 1.00 0.46 C ATOM 60 OG1 THR A 251 -1.972 -6.296 -10.842 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.201 -4.315 -10.204 1.00 0.47 C ATOM 0 H THR A 251 -3.062 -8.356 -9.504 1.00 0.40 H new ATOM 0 HA THR A 251 -2.714 -5.776 -8.130 1.00 0.39 H new ATOM 0 HB THR A 251 -4.039 -6.189 -10.805 1.00 0.46 H new ATOM 0 HG1 THR A 251 -1.907 -5.931 -11.749 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.114 -3.935 -11.222 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.136 -3.967 -9.765 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.364 -3.951 -9.609 1.00 0.47 H new ATOM 69 N VAL A 252 -5.058 -5.788 -7.225 1.00 0.36 N ATOM 70 CA VAL A 252 -6.423 -5.737 -6.712 1.00 0.38 C ATOM 71 C VAL A 252 -6.950 -4.310 -6.665 1.00 0.35 C ATOM 72 O VAL A 252 -6.186 -3.364 -6.471 1.00 0.39 O ATOM 73 CB VAL A 252 -6.516 -6.356 -5.300 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.107 -7.819 -5.335 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.655 -5.584 -4.308 1.00 0.40 C ATOM 0 H VAL A 252 -4.366 -5.330 -6.632 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.036 -6.319 -7.400 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.552 -6.292 -4.968 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.178 -8.241 -4.332 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.769 -8.366 -6.006 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.080 -7.901 -5.691 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.738 -6.040 -3.322 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.615 -5.609 -4.633 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -5.995 -4.550 -4.259 1.00 0.40 H new ATOM 85 N THR A 253 -8.250 -4.156 -6.865 1.00 0.39 N ATOM 86 CA THR A 253 -8.876 -2.846 -6.820 1.00 0.40 C ATOM 87 C THR A 253 -9.760 -2.741 -5.576 1.00 0.39 C ATOM 88 O THR A 253 -10.470 -3.686 -5.224 1.00 0.54 O ATOM 89 CB THR A 253 -9.700 -2.552 -8.100 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.065 -1.165 -8.145 1.00 0.76 O ATOM 91 CG2 THR A 253 -10.955 -3.410 -8.168 1.00 0.79 C ATOM 0 H THR A 253 -8.892 -4.924 -7.060 1.00 0.39 H new ATOM 0 HA THR A 253 -8.086 -2.097 -6.770 1.00 0.40 H new ATOM 0 HB THR A 253 -9.073 -2.796 -8.958 1.00 0.50 H new ATOM 0 HG1 THR A 253 -10.583 -0.989 -8.958 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.507 -3.176 -9.078 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.676 -4.464 -8.174 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.583 -3.206 -7.301 1.00 0.79 H new ATOM 99 N LEU A 254 -9.691 -1.609 -4.892 1.00 0.33 N ATOM 100 CA LEU A 254 -10.469 -1.410 -3.682 1.00 0.35 C ATOM 101 C LEU A 254 -11.503 -0.310 -3.860 1.00 0.35 C ATOM 102 O LEU A 254 -11.223 0.733 -4.460 1.00 0.37 O ATOM 103 CB LEU A 254 -9.544 -1.069 -2.514 1.00 0.36 C ATOM 104 CG LEU A 254 -8.438 -2.092 -2.242 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.495 -1.585 -1.165 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.038 -3.430 -1.836 1.00 0.45 C ATOM 0 H LEU A 254 -9.105 -0.817 -5.155 1.00 0.33 H new ATOM 0 HA LEU A 254 -10.998 -2.339 -3.468 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.082 -0.101 -2.707 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.147 -0.961 -1.613 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.868 -2.233 -3.160 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.716 -2.326 -0.986 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.039 -0.650 -1.491 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.053 -1.415 -0.244 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.238 -4.145 -1.647 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.633 -3.303 -0.931 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.674 -3.802 -2.639 1.00 0.45 H new ATOM 118 N ASN A 255 -12.696 -0.554 -3.337 1.00 0.40 N ATOM 119 CA ASN A 255 -13.786 0.405 -3.419 1.00 0.44 C ATOM 120 C ASN A 255 -13.670 1.430 -2.295 1.00 0.40 C ATOM 121 O ASN A 255 -13.751 1.082 -1.111 1.00 0.39 O ATOM 122 CB ASN A 255 -15.135 -0.319 -3.341 1.00 0.50 C ATOM 123 CG ASN A 255 -16.311 0.636 -3.247 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.700 1.050 -2.155 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.889 0.986 -4.384 1.00 0.65 N ATOM 0 H ASN A 255 -12.934 -1.417 -2.847 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.724 0.926 -4.375 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.255 -0.950 -4.222 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.138 -0.979 -2.473 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.687 1.621 -4.376 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.537 0.621 -5.269 1.00 0.65 H new ATOM 132 N MET A 256 -13.500 2.692 -2.664 1.00 0.41 N ATOM 133 CA MET A 256 -13.352 3.761 -1.684 1.00 0.41 C ATOM 134 C MET A 256 -14.667 4.498 -1.455 1.00 0.44 C ATOM 135 O MET A 256 -14.691 5.579 -0.869 1.00 0.49 O ATOM 136 CB MET A 256 -12.273 4.743 -2.137 1.00 0.43 C ATOM 137 CG MET A 256 -10.862 4.191 -2.026 1.00 0.45 C ATOM 138 SD MET A 256 -10.368 3.887 -0.319 1.00 0.56 S ATOM 139 CE MET A 256 -10.157 5.566 0.279 1.00 0.63 C ATOM 0 H MET A 256 -13.461 3.002 -3.635 1.00 0.41 H new ATOM 0 HA MET A 256 -13.054 3.307 -0.739 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.463 5.026 -3.172 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.347 5.652 -1.539 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.794 3.261 -2.591 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.164 4.893 -2.483 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.620 5.550 1.227 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.588 6.143 -0.450 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.134 6.026 0.423 1.00 0.63 H new ATOM 149 N GLU A 257 -15.760 3.913 -1.918 1.00 0.46 N ATOM 150 CA GLU A 257 -17.074 4.518 -1.749 1.00 0.51 C ATOM 151 C GLU A 257 -17.689 4.086 -0.426 1.00 0.49 C ATOM 152 O GLU A 257 -18.343 4.871 0.262 1.00 0.56 O ATOM 153 CB GLU A 257 -17.994 4.135 -2.906 1.00 0.56 C ATOM 154 CG GLU A 257 -17.639 4.831 -4.207 1.00 0.67 C ATOM 155 CD GLU A 257 -17.955 6.310 -4.169 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.111 6.677 -4.454 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.054 7.109 -3.845 1.00 1.27 O ATOM 0 H GLU A 257 -15.765 3.021 -2.413 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.955 5.601 -1.744 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.950 3.056 -3.055 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.023 4.379 -2.640 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.577 4.693 -4.413 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.186 4.365 -5.027 1.00 0.67 H new ATOM 164 N ARG A 258 -17.471 2.825 -0.078 1.00 0.45 N ATOM 165 CA ARG A 258 -17.989 2.267 1.164 1.00 0.45 C ATOM 166 C ARG A 258 -16.918 2.317 2.254 1.00 0.43 C ATOM 167 O ARG A 258 -17.132 1.880 3.386 1.00 0.63 O ATOM 168 CB ARG A 258 -18.447 0.824 0.936 1.00 0.48 C ATOM 169 CG ARG A 258 -19.371 0.288 2.017 1.00 0.56 C ATOM 170 CD ARG A 258 -19.767 -1.152 1.745 1.00 0.64 C ATOM 171 NE ARG A 258 -20.538 -1.728 2.845 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.222 -2.867 3.463 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.150 -3.560 3.095 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.982 -3.320 4.448 1.00 1.06 N ATOM 0 H ARG A 258 -16.935 2.165 -0.642 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.843 2.861 1.490 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -18.957 0.764 -0.025 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.569 0.181 0.872 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.876 0.354 2.986 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.266 0.908 2.073 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.354 -1.199 0.828 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.870 -1.749 1.580 1.00 0.64 H new ATOM 0 HE ARG A 258 -21.369 -1.228 3.160 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -18.561 -3.222 2.334 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -18.916 -4.430 3.573 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -21.810 -2.798 4.735 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.740 -4.191 4.920 1.00 1.06 H new ATOM 188 N HIS A 259 -15.758 2.850 1.898 1.00 0.37 N ATOM 189 CA HIS A 259 -14.641 2.962 2.830 1.00 0.35 C ATOM 190 C HIS A 259 -14.082 4.373 2.792 1.00 0.40 C ATOM 191 O HIS A 259 -14.353 5.121 1.860 1.00 0.63 O ATOM 192 CB HIS A 259 -13.534 1.963 2.483 1.00 0.38 C ATOM 193 CG HIS A 259 -13.981 0.534 2.489 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.090 -0.221 1.342 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.351 -0.280 3.509 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.508 -1.433 1.651 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.675 -1.494 2.958 1.00 0.75 N ATOM 0 H HIS A 259 -15.564 3.214 0.965 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.007 2.737 3.832 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.136 2.205 1.497 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.716 2.080 3.194 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -13.880 0.107 0.399 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.384 -0.021 4.557 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.684 -2.238 0.953 1.00 0.76 H new ATOM 206 N HIS A 260 -13.319 4.744 3.807 1.00 0.36 N ATOM 207 CA HIS A 260 -12.734 6.078 3.856 1.00 0.42 C ATOM 208 C HIS A 260 -11.209 6.013 3.908 1.00 0.35 C ATOM 209 O HIS A 260 -10.530 7.034 3.799 1.00 0.42 O ATOM 210 CB HIS A 260 -13.255 6.850 5.071 1.00 0.56 C ATOM 211 CG HIS A 260 -14.741 7.048 5.094 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.489 7.353 3.975 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.620 6.988 6.123 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.760 7.469 4.318 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.866 7.254 5.615 1.00 1.01 N ATOM 0 H HIS A 260 -13.090 4.148 4.603 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.029 6.598 2.945 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -12.958 6.320 5.976 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.771 7.826 5.100 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -15.383 6.771 7.154 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.575 7.701 3.649 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.733 7.281 6.152 1.00 1.01 H new ATOM 224 N PHE A 261 -10.673 4.811 4.071 1.00 0.30 N ATOM 225 CA PHE A 261 -9.230 4.620 4.154 1.00 0.25 C ATOM 226 C PHE A 261 -8.847 3.210 3.719 1.00 0.21 C ATOM 227 O PHE A 261 -9.719 2.379 3.450 1.00 0.22 O ATOM 228 CB PHE A 261 -8.744 4.882 5.586 1.00 0.28 C ATOM 229 CG PHE A 261 -9.508 4.131 6.645 1.00 0.32 C ATOM 230 CD1 PHE A 261 -9.136 2.846 7.014 1.00 0.36 C ATOM 231 CD2 PHE A 261 -10.599 4.713 7.277 1.00 0.52 C ATOM 232 CE1 PHE A 261 -9.834 2.159 7.990 1.00 0.44 C ATOM 233 CE2 PHE A 261 -11.301 4.029 8.253 1.00 0.62 C ATOM 234 CZ PHE A 261 -10.917 2.751 8.609 1.00 0.52 C ATOM 0 H PHE A 261 -11.217 3.951 4.149 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.749 5.330 3.481 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.690 4.613 5.655 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -8.814 5.950 5.792 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -8.291 2.377 6.533 1.00 0.36 H new ATOM 0 HD2 PHE A 261 -10.903 5.712 7.003 1.00 0.52 H new ATOM 0 HE1 PHE A 261 -9.532 1.160 8.268 1.00 0.44 H new ATOM 0 HE2 PHE A 261 -12.148 4.494 8.736 1.00 0.62 H new ATOM 0 HZ PHE A 261 -11.463 2.215 9.371 1.00 0.52 H new ATOM 244 N LEU A 262 -7.548 2.944 3.673 1.00 0.17 N ATOM 245 CA LEU A 262 -7.040 1.641 3.271 1.00 0.14 C ATOM 246 C LEU A 262 -7.084 0.678 4.452 1.00 0.12 C ATOM 247 O LEU A 262 -7.642 -0.418 4.355 1.00 0.14 O ATOM 248 CB LEU A 262 -5.608 1.777 2.730 1.00 0.14 C ATOM 249 CG LEU A 262 -5.489 2.252 1.276 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.126 1.880 0.714 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.600 1.667 0.417 1.00 0.34 C ATOM 0 H LEU A 262 -6.823 3.620 3.911 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.670 1.241 2.476 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.063 2.474 3.367 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.112 0.810 2.819 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.591 3.337 1.260 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.052 2.222 -0.318 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.345 2.353 1.309 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.002 0.798 0.747 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.491 2.020 -0.608 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.539 0.579 0.434 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.567 1.982 0.809 1.00 0.34 H new ATOM 263 N GLY A 263 -6.505 1.103 5.564 1.00 0.11 N ATOM 264 CA GLY A 263 -6.494 0.289 6.763 1.00 0.12 C ATOM 265 C GLY A 263 -5.305 -0.643 6.830 1.00 0.11 C ATOM 266 O GLY A 263 -5.449 -1.810 7.200 1.00 0.14 O ATOM 0 H GLY A 263 -6.038 2.005 5.658 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.489 0.939 7.638 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.412 -0.297 6.807 1.00 0.12 H new ATOM 270 N ILE A 264 -4.126 -0.141 6.482 1.00 0.09 N ATOM 271 CA ILE A 264 -2.919 -0.956 6.507 1.00 0.09 C ATOM 272 C ILE A 264 -1.729 -0.212 7.101 1.00 0.08 C ATOM 273 O ILE A 264 -1.663 1.025 7.082 1.00 0.11 O ATOM 274 CB ILE A 264 -2.523 -1.455 5.100 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.695 -0.345 4.060 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.337 -2.684 4.723 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.147 -0.699 2.694 1.00 0.18 C ATOM 0 H ILE A 264 -3.981 0.823 6.180 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.164 -1.808 7.140 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.470 -1.735 5.119 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.755 -0.109 3.966 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.198 0.556 4.418 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.045 -3.023 3.729 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.152 -3.479 5.446 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.398 -2.432 4.724 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.305 0.136 2.011 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.080 -0.906 2.773 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.661 -1.582 2.313 1.00 0.18 H new ATOM 289 N SER A 265 -0.801 -0.993 7.637 1.00 0.09 N ATOM 290 CA SER A 265 0.421 -0.475 8.224 1.00 0.12 C ATOM 291 C SER A 265 1.566 -0.668 7.239 1.00 0.11 C ATOM 292 O SER A 265 1.891 -1.799 6.866 1.00 0.19 O ATOM 293 CB SER A 265 0.724 -1.206 9.538 1.00 0.20 C ATOM 294 OG SER A 265 1.940 -0.766 10.124 1.00 1.00 O ATOM 0 H SER A 265 -0.878 -2.009 7.676 1.00 0.09 H new ATOM 0 HA SER A 265 0.302 0.587 8.439 1.00 0.12 H new ATOM 0 HB2 SER A 265 -0.095 -1.046 10.239 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.779 -2.279 9.352 1.00 0.20 H new ATOM 0 HG SER A 265 1.745 -0.123 10.838 1.00 1.00 H new ATOM 300 N ILE A 266 2.162 0.427 6.805 1.00 0.10 N ATOM 301 CA ILE A 266 3.259 0.362 5.857 1.00 0.11 C ATOM 302 C ILE A 266 4.583 0.227 6.596 1.00 0.13 C ATOM 303 O ILE A 266 4.953 1.092 7.386 1.00 0.28 O ATOM 304 CB ILE A 266 3.306 1.610 4.947 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.898 2.015 4.492 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.199 1.353 3.742 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.148 0.906 3.792 1.00 0.16 C ATOM 0 H ILE A 266 1.905 1.371 7.093 1.00 0.10 H new ATOM 0 HA ILE A 266 3.094 -0.512 5.228 1.00 0.11 H new ATOM 0 HB ILE A 266 3.724 2.434 5.525 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.324 2.340 5.360 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.974 2.871 3.822 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.222 2.241 3.110 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.209 1.122 4.080 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.806 0.512 3.171 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.161 1.263 3.498 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.701 0.597 2.905 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.041 0.057 4.467 1.00 0.16 H new ATOM 319 N VAL A 267 5.282 -0.869 6.358 1.00 0.12 N ATOM 320 CA VAL A 267 6.560 -1.104 7.008 1.00 0.14 C ATOM 321 C VAL A 267 7.699 -1.046 5.997 1.00 0.14 C ATOM 322 O VAL A 267 7.829 -1.918 5.137 1.00 0.23 O ATOM 323 CB VAL A 267 6.592 -2.466 7.733 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.955 -2.711 8.365 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.495 -2.539 8.786 1.00 0.31 C ATOM 0 H VAL A 267 4.987 -1.609 5.721 1.00 0.12 H new ATOM 0 HA VAL A 267 6.689 -0.315 7.749 1.00 0.14 H new ATOM 0 HB VAL A 267 6.413 -3.247 6.994 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.953 -3.677 8.870 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.721 -2.708 7.590 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.168 -1.924 9.088 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.534 -3.507 9.286 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.641 -1.746 9.519 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.523 -2.417 8.308 1.00 0.31 H new ATOM 335 N GLY A 268 8.501 -0.001 6.094 1.00 0.17 N ATOM 336 CA GLY A 268 9.629 0.153 5.203 1.00 0.23 C ATOM 337 C GLY A 268 10.875 -0.473 5.784 1.00 0.23 C ATOM 338 O GLY A 268 11.270 -0.149 6.907 1.00 0.37 O ATOM 0 H GLY A 268 8.391 0.748 6.778 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.402 -0.308 4.242 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.805 1.212 5.015 1.00 0.23 H new ATOM 342 N GLN A 269 11.486 -1.382 5.041 1.00 0.27 N ATOM 343 CA GLN A 269 12.691 -2.049 5.506 1.00 0.34 C ATOM 344 C GLN A 269 13.926 -1.226 5.164 1.00 0.38 C ATOM 345 O GLN A 269 14.269 -1.054 3.991 1.00 0.50 O ATOM 346 CB GLN A 269 12.804 -3.449 4.903 1.00 0.49 C ATOM 347 CG GLN A 269 13.813 -4.331 5.625 1.00 0.67 C ATOM 348 CD GLN A 269 13.865 -5.739 5.071 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.119 -6.618 5.502 1.00 1.81 O ATOM 350 NE2 GLN A 269 14.751 -5.966 4.118 1.00 1.87 N ATOM 0 H GLN A 269 11.169 -1.674 4.117 1.00 0.27 H new ATOM 0 HA GLN A 269 12.626 -2.145 6.590 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.826 -3.929 4.930 1.00 0.49 H new ATOM 0 HB3 GLN A 269 13.089 -3.364 3.854 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.802 -3.879 5.550 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.560 -4.372 6.685 1.00 0.67 H new ATOM 0 HE21 GLN A 269 15.351 -5.210 3.789 1.00 1.87 H new ATOM 0 HE22 GLN A 269 14.835 -6.898 3.711 1.00 1.87 H new ATOM 446 N GLY A 277 12.157 -1.675 0.442 1.00 0.30 N ATOM 447 CA GLY A 277 10.793 -1.865 0.005 1.00 0.29 C ATOM 448 C GLY A 277 9.798 -1.652 1.122 1.00 0.24 C ATOM 449 O GLY A 277 10.159 -1.683 2.303 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.575 -1.174 -0.809 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.679 -2.873 -0.393 1.00 0.29 H new ATOM 453 N ILE A 278 8.549 -1.424 0.752 1.00 0.21 N ATOM 454 CA ILE A 278 7.491 -1.211 1.722 1.00 0.19 C ATOM 455 C ILE A 278 6.587 -2.438 1.794 1.00 0.18 C ATOM 456 O ILE A 278 5.900 -2.786 0.829 1.00 0.23 O ATOM 457 CB ILE A 278 6.656 0.043 1.391 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.346 0.111 -0.109 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.395 1.297 1.846 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.332 1.174 -0.471 1.00 0.27 C ATOM 0 H ILE A 278 8.243 -1.382 -0.220 1.00 0.21 H new ATOM 0 HA ILE A 278 7.961 -1.051 2.692 1.00 0.19 H new ATOM 0 HB ILE A 278 5.709 -0.019 1.926 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.270 0.302 -0.654 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.976 -0.860 -0.439 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.798 2.178 1.608 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.561 1.251 2.922 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.355 1.360 1.333 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.163 1.164 -1.548 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.394 0.973 0.046 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.708 2.152 -0.172 1.00 0.27 H new ATOM 472 N TYR A 279 6.601 -3.098 2.937 1.00 0.15 N ATOM 473 CA TYR A 279 5.810 -4.299 3.138 1.00 0.16 C ATOM 474 C TYR A 279 4.629 -4.018 4.059 1.00 0.15 C ATOM 475 O TYR A 279 4.672 -3.090 4.866 1.00 0.18 O ATOM 476 CB TYR A 279 6.682 -5.410 3.735 1.00 0.19 C ATOM 477 CG TYR A 279 7.998 -5.613 3.014 1.00 0.24 C ATOM 478 CD1 TYR A 279 9.131 -4.892 3.376 1.00 0.42 C ATOM 479 CD2 TYR A 279 8.107 -6.518 1.968 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.332 -5.068 2.714 1.00 0.55 C ATOM 481 CE2 TYR A 279 9.306 -6.702 1.302 1.00 0.57 C ATOM 482 CZ TYR A 279 10.415 -5.973 1.678 1.00 0.55 C ATOM 483 OH TYR A 279 11.610 -6.147 1.013 1.00 0.72 O ATOM 0 H TYR A 279 7.156 -2.820 3.747 1.00 0.15 H new ATOM 0 HA TYR A 279 5.427 -4.624 2.170 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.884 -5.177 4.780 1.00 0.19 H new ATOM 0 HB3 TYR A 279 6.122 -6.345 3.719 1.00 0.19 H new ATOM 0 HD1 TYR A 279 9.072 -4.183 4.188 1.00 0.42 H new ATOM 0 HD2 TYR A 279 7.241 -7.089 1.668 1.00 0.44 H new ATOM 0 HE1 TYR A 279 11.201 -4.499 3.008 1.00 0.55 H new ATOM 0 HE2 TYR A 279 9.373 -7.413 0.492 1.00 0.57 H new ATOM 0 HH TYR A 279 11.498 -6.822 0.311 1.00 0.72 H new ATOM 493 N ILE A 280 3.577 -4.811 3.924 1.00 0.16 N ATOM 494 CA ILE A 280 2.393 -4.659 4.754 1.00 0.16 C ATOM 495 C ILE A 280 2.637 -5.288 6.121 1.00 0.17 C ATOM 496 O ILE A 280 2.815 -6.501 6.229 1.00 0.21 O ATOM 497 CB ILE A 280 1.156 -5.317 4.102 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.886 -4.709 2.720 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.065 -5.169 4.999 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.623 -3.220 2.748 1.00 0.24 C ATOM 0 H ILE A 280 3.520 -5.569 3.244 1.00 0.16 H new ATOM 0 HA ILE A 280 2.196 -3.592 4.863 1.00 0.16 H new ATOM 0 HB ILE A 280 1.361 -6.380 3.975 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.742 -4.905 2.074 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.028 -5.212 2.274 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -0.926 -5.639 4.523 1.00 0.21 H new ATOM 0 HG22 ILE A 280 0.127 -5.651 5.957 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.272 -4.111 5.160 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.441 -2.864 1.734 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.251 -3.016 3.367 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.489 -2.705 3.163 1.00 0.24 H new ATOM 512 N GLY A 281 2.661 -4.458 7.152 1.00 0.20 N ATOM 513 CA GLY A 281 2.890 -4.951 8.494 1.00 0.23 C ATOM 514 C GLY A 281 1.659 -5.607 9.084 1.00 0.24 C ATOM 515 O GLY A 281 1.692 -6.781 9.461 1.00 0.42 O ATOM 0 H GLY A 281 2.526 -3.449 7.083 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.710 -5.669 8.480 1.00 0.23 H new ATOM 0 HA3 GLY A 281 3.201 -4.125 9.134 1.00 0.23 H new ATOM 519 N SER A 282 0.574 -4.854 9.151 1.00 0.25 N ATOM 520 CA SER A 282 -0.674 -5.355 9.697 1.00 0.29 C ATOM 521 C SER A 282 -1.855 -4.752 8.946 1.00 0.26 C ATOM 522 O SER A 282 -1.723 -3.707 8.301 1.00 0.30 O ATOM 523 CB SER A 282 -0.765 -5.021 11.188 1.00 0.35 C ATOM 524 OG SER A 282 -0.157 -3.769 11.463 1.00 0.75 O ATOM 0 H SER A 282 0.534 -3.886 8.831 1.00 0.25 H new ATOM 0 HA SER A 282 -0.703 -6.438 9.578 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.810 -4.998 11.497 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.277 -5.803 11.771 1.00 0.35 H new ATOM 0 HG SER A 282 -0.228 -3.574 12.421 1.00 0.75 H new ATOM 530 N ILE A 283 -2.994 -5.422 9.015 1.00 0.24 N ATOM 531 CA ILE A 283 -4.201 -4.954 8.357 1.00 0.23 C ATOM 532 C ILE A 283 -5.280 -4.685 9.400 1.00 0.23 C ATOM 533 O ILE A 283 -5.521 -5.512 10.280 1.00 0.30 O ATOM 534 CB ILE A 283 -4.714 -5.977 7.320 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.606 -6.305 6.314 1.00 0.32 C ATOM 536 CG2 ILE A 283 -5.947 -5.441 6.605 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.019 -7.300 5.253 1.00 0.53 C ATOM 0 H ILE A 283 -3.107 -6.298 9.525 1.00 0.24 H new ATOM 0 HA ILE A 283 -3.963 -4.032 7.826 1.00 0.23 H new ATOM 0 HB ILE A 283 -4.995 -6.893 7.840 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.284 -5.383 5.829 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -2.744 -6.699 6.853 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.294 -6.175 5.878 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.736 -5.250 7.333 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.695 -4.513 6.091 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.182 -7.481 4.579 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.312 -8.237 5.727 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -4.861 -6.900 4.687 1.00 0.53 H new ATOM 549 N MET A 284 -5.912 -3.522 9.309 1.00 0.20 N ATOM 550 CA MET A 284 -6.952 -3.140 10.256 1.00 0.21 C ATOM 551 C MET A 284 -8.328 -3.540 9.733 1.00 0.22 C ATOM 552 O MET A 284 -8.707 -3.169 8.619 1.00 0.23 O ATOM 553 CB MET A 284 -6.902 -1.629 10.518 1.00 0.24 C ATOM 554 CG MET A 284 -5.590 -1.150 11.119 1.00 0.35 C ATOM 555 SD MET A 284 -5.395 -1.621 12.850 1.00 0.54 S ATOM 556 CE MET A 284 -4.360 -3.079 12.700 1.00 0.74 C ATOM 0 H MET A 284 -5.722 -2.826 8.588 1.00 0.20 H new ATOM 0 HA MET A 284 -6.774 -3.666 11.194 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.074 -1.102 9.580 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.717 -1.360 11.189 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.761 -1.559 10.541 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.533 -0.065 11.035 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.864 -3.931 13.155 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.175 -3.287 11.646 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.411 -2.905 13.207 1.00 0.74 H new ATOM 566 N LYS A 285 -9.054 -4.314 10.535 1.00 0.28 N ATOM 567 CA LYS A 285 -10.390 -4.777 10.174 1.00 0.33 C ATOM 568 C LYS A 285 -11.325 -3.598 9.909 1.00 0.33 C ATOM 569 O LYS A 285 -11.412 -2.668 10.713 1.00 0.46 O ATOM 570 CB LYS A 285 -10.958 -5.652 11.294 1.00 0.43 C ATOM 571 CG LYS A 285 -12.262 -6.346 10.938 1.00 0.49 C ATOM 572 CD LYS A 285 -12.048 -7.436 9.902 1.00 0.63 C ATOM 573 CE LYS A 285 -13.312 -8.249 9.680 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.420 -7.421 9.142 1.00 1.01 N ATOM 0 H LYS A 285 -8.735 -4.636 11.449 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.313 -5.364 9.259 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.218 -6.407 11.561 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.117 -5.034 12.178 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.702 -6.778 11.837 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -12.973 -5.613 10.555 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.733 -6.987 8.960 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.243 -8.095 10.227 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.101 -9.065 8.989 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.622 -8.701 10.622 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.229 -8.032 8.910 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.708 -6.721 9.855 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.100 -6.929 8.283 1.00 1.01 H new ATOM 588 N GLY A 286 -12.017 -3.641 8.778 1.00 0.33 N ATOM 589 CA GLY A 286 -12.929 -2.573 8.423 1.00 0.35 C ATOM 590 C GLY A 286 -12.409 -1.742 7.268 1.00 0.30 C ATOM 591 O GLY A 286 -13.184 -1.119 6.541 1.00 0.36 O ATOM 0 H GLY A 286 -11.962 -4.400 8.098 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.897 -2.997 8.157 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.089 -1.930 9.289 1.00 0.35 H new ATOM 595 N GLY A 287 -11.091 -1.744 7.097 1.00 0.26 N ATOM 596 CA GLY A 287 -10.474 -0.986 6.024 1.00 0.24 C ATOM 597 C GLY A 287 -10.778 -1.567 4.656 1.00 0.22 C ATOM 598 O GLY A 287 -11.282 -2.686 4.547 1.00 0.24 O ATOM 0 H GLY A 287 -10.437 -2.260 7.685 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.824 0.045 6.064 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.395 -0.962 6.174 1.00 0.24 H new ATOM 602 N ALA A 288 -10.463 -0.811 3.612 1.00 0.21 N ATOM 603 CA ALA A 288 -10.706 -1.250 2.244 1.00 0.22 C ATOM 604 C ALA A 288 -9.911 -2.512 1.924 1.00 0.22 C ATOM 605 O ALA A 288 -10.397 -3.407 1.234 1.00 0.25 O ATOM 606 CB ALA A 288 -10.361 -0.139 1.264 1.00 0.24 C ATOM 0 H ALA A 288 -10.037 0.113 3.687 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.765 -1.487 2.146 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.547 -0.481 0.246 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.979 0.735 1.472 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.309 0.127 1.371 1.00 0.24 H new ATOM 612 N VAL A 289 -8.695 -2.585 2.450 1.00 0.20 N ATOM 613 CA VAL A 289 -7.827 -3.734 2.224 1.00 0.21 C ATOM 614 C VAL A 289 -8.363 -4.967 2.944 1.00 0.23 C ATOM 615 O VAL A 289 -8.338 -6.078 2.410 1.00 0.26 O ATOM 616 CB VAL A 289 -6.386 -3.459 2.700 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.481 -4.651 2.410 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.838 -2.202 2.046 1.00 0.20 C ATOM 0 H VAL A 289 -8.286 -1.859 3.038 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.813 -3.916 1.149 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.409 -3.305 3.779 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.470 -4.433 2.755 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -5.860 -5.531 2.930 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.465 -4.843 1.337 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.820 -2.025 2.394 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.834 -2.327 0.963 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.466 -1.351 2.311 1.00 0.20 H new ATOM 628 N ALA A 290 -8.877 -4.755 4.151 1.00 0.23 N ATOM 629 CA ALA A 290 -9.417 -5.840 4.961 1.00 0.27 C ATOM 630 C ALA A 290 -10.692 -6.405 4.348 1.00 0.29 C ATOM 631 O ALA A 290 -11.117 -7.513 4.680 1.00 0.37 O ATOM 632 CB ALA A 290 -9.679 -5.357 6.380 1.00 0.29 C ATOM 0 H ALA A 290 -8.931 -3.836 4.591 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.677 -6.640 4.991 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.082 -6.177 6.975 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -8.746 -5.011 6.825 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.397 -4.537 6.359 1.00 0.29 H new ATOM 638 N ALA A 291 -11.300 -5.635 3.454 1.00 0.29 N ATOM 639 CA ALA A 291 -12.521 -6.052 2.787 1.00 0.32 C ATOM 640 C ALA A 291 -12.209 -6.896 1.556 1.00 0.32 C ATOM 641 O ALA A 291 -13.104 -7.502 0.968 1.00 0.41 O ATOM 642 CB ALA A 291 -13.358 -4.838 2.408 1.00 0.38 C ATOM 0 H ALA A 291 -10.963 -4.714 3.175 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.095 -6.668 3.479 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.270 -5.166 1.909 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.617 -4.280 3.308 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.787 -4.198 1.736 1.00 0.38 H new ATOM 648 N ASP A 292 -10.941 -6.926 1.161 1.00 0.31 N ATOM 649 CA ASP A 292 -10.527 -7.713 0.006 1.00 0.32 C ATOM 650 C ASP A 292 -10.177 -9.129 0.444 1.00 0.30 C ATOM 651 O ASP A 292 -10.869 -10.086 0.097 1.00 0.38 O ATOM 652 CB ASP A 292 -9.333 -7.071 -0.694 1.00 0.37 C ATOM 653 CG ASP A 292 -9.032 -7.735 -2.019 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.312 -8.754 -2.026 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.519 -7.246 -3.060 1.00 0.55 O ATOM 0 H ASP A 292 -10.186 -6.417 1.621 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.356 -7.748 -0.701 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.534 -6.012 -0.856 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.457 -7.134 -0.049 1.00 0.37 H new ATOM 660 N GLY A 293 -9.096 -9.259 1.203 1.00 0.29 N ATOM 661 CA GLY A 293 -8.702 -10.559 1.709 1.00 0.33 C ATOM 662 C GLY A 293 -7.530 -11.190 0.976 1.00 0.33 C ATOM 663 O GLY A 293 -6.940 -12.151 1.474 1.00 0.39 O ATOM 0 H GLY A 293 -8.486 -8.489 1.477 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.445 -10.462 2.764 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.557 -11.233 1.650 1.00 0.33 H new ATOM 667 N ARG A 294 -7.187 -10.676 -0.199 1.00 0.31 N ATOM 668 CA ARG A 294 -6.076 -11.235 -0.965 1.00 0.32 C ATOM 669 C ARG A 294 -4.734 -10.736 -0.433 1.00 0.30 C ATOM 670 O ARG A 294 -3.733 -11.460 -0.458 1.00 0.37 O ATOM 671 CB ARG A 294 -6.226 -10.915 -2.454 1.00 0.35 C ATOM 672 CG ARG A 294 -7.311 -11.743 -3.130 1.00 0.41 C ATOM 673 CD ARG A 294 -7.638 -11.228 -4.519 1.00 0.44 C ATOM 674 NE ARG A 294 -8.454 -10.018 -4.474 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.220 -9.600 -5.476 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.291 -10.297 -6.604 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.918 -8.481 -5.353 1.00 0.58 N ATOM 0 H ARG A 294 -7.654 -9.883 -0.639 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.100 -12.318 -0.847 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.457 -9.856 -2.572 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.275 -11.091 -2.956 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.986 -12.781 -3.196 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.212 -11.729 -2.517 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.713 -11.022 -5.057 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.166 -12.001 -5.078 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.435 -9.459 -3.621 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.755 -11.159 -6.705 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.881 -9.970 -7.369 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.867 -7.941 -4.489 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.506 -8.160 -6.122 1.00 0.58 H new ATOM 691 N ILE A 295 -4.717 -9.505 0.058 1.00 0.26 N ATOM 692 CA ILE A 295 -3.504 -8.922 0.613 1.00 0.25 C ATOM 693 C ILE A 295 -3.328 -9.382 2.059 1.00 0.25 C ATOM 694 O ILE A 295 -4.307 -9.493 2.804 1.00 0.29 O ATOM 695 CB ILE A 295 -3.541 -7.375 0.552 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.796 -6.906 -0.885 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.241 -6.781 1.085 1.00 0.27 C ATOM 698 CD1 ILE A 295 -3.983 -5.408 -1.013 1.00 0.37 C ATOM 0 H ILE A 295 -5.530 -8.890 0.083 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.659 -9.261 0.014 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.358 -7.026 1.183 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -2.959 -7.214 -1.512 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.684 -7.408 -1.269 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.290 -5.693 1.033 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.098 -7.088 2.121 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.405 -7.136 0.483 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.159 -5.151 -2.058 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.838 -5.096 -0.414 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.087 -4.898 -0.660 1.00 0.37 H new ATOM 710 N GLU A 296 -2.092 -9.668 2.449 1.00 0.24 N ATOM 711 CA GLU A 296 -1.805 -10.127 3.801 1.00 0.26 C ATOM 712 C GLU A 296 -0.475 -9.553 4.302 1.00 0.24 C ATOM 713 O GLU A 296 0.317 -9.037 3.512 1.00 0.22 O ATOM 714 CB GLU A 296 -1.772 -11.661 3.830 1.00 0.31 C ATOM 715 CG GLU A 296 -0.539 -12.261 3.179 1.00 0.36 C ATOM 716 CD GLU A 296 -0.673 -13.749 2.956 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.668 -14.505 3.948 1.00 0.69 O ATOM 718 OE2 GLU A 296 -0.790 -14.170 1.785 1.00 0.56 O ATOM 0 H GLU A 296 -1.272 -9.590 1.847 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.594 -9.774 4.465 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.824 -11.996 4.866 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.660 -12.044 3.326 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.359 -11.768 2.224 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.331 -12.067 3.807 1.00 0.36 H new ATOM 725 N PRO A 297 -0.224 -9.613 5.623 1.00 0.26 N ATOM 726 CA PRO A 297 1.022 -9.115 6.214 1.00 0.27 C ATOM 727 C PRO A 297 2.248 -9.809 5.623 1.00 0.27 C ATOM 728 O PRO A 297 2.424 -11.020 5.769 1.00 0.41 O ATOM 729 CB PRO A 297 0.877 -9.455 7.702 1.00 0.32 C ATOM 730 CG PRO A 297 -0.584 -9.599 7.925 1.00 0.34 C ATOM 731 CD PRO A 297 -1.139 -10.151 6.644 1.00 0.32 C ATOM 0 HA PRO A 297 1.171 -8.052 6.025 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.406 -10.375 7.950 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.296 -8.668 8.329 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.788 -10.268 8.761 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.039 -8.639 8.167 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.146 -11.241 6.645 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.166 -9.826 6.476 1.00 0.32 H new ATOM 739 N GLY A 298 3.093 -9.034 4.964 1.00 0.27 N ATOM 740 CA GLY A 298 4.282 -9.584 4.350 1.00 0.28 C ATOM 741 C GLY A 298 4.363 -9.229 2.883 1.00 0.25 C ATOM 742 O GLY A 298 5.443 -9.244 2.291 1.00 0.29 O ATOM 0 H GLY A 298 2.976 -8.028 4.843 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.166 -9.208 4.866 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.283 -10.668 4.464 1.00 0.28 H new ATOM 746 N ASP A 299 3.214 -8.906 2.298 1.00 0.22 N ATOM 747 CA ASP A 299 3.146 -8.529 0.891 1.00 0.22 C ATOM 748 C ASP A 299 3.811 -7.172 0.688 1.00 0.20 C ATOM 749 O ASP A 299 3.708 -6.289 1.544 1.00 0.21 O ATOM 750 CB ASP A 299 1.690 -8.462 0.410 1.00 0.24 C ATOM 751 CG ASP A 299 0.985 -9.809 0.428 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.667 -10.852 0.470 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.264 -9.832 0.393 1.00 0.28 O ATOM 0 H ASP A 299 2.314 -8.898 2.779 1.00 0.22 H new ATOM 0 HA ASP A 299 3.669 -9.287 0.309 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.139 -7.764 1.040 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.668 -8.062 -0.604 1.00 0.24 H new ATOM 758 N MET A 300 4.497 -7.003 -0.434 1.00 0.21 N ATOM 759 CA MET A 300 5.171 -5.744 -0.724 1.00 0.21 C ATOM 760 C MET A 300 4.386 -4.933 -1.745 1.00 0.19 C ATOM 761 O MET A 300 3.910 -5.472 -2.744 1.00 0.21 O ATOM 762 CB MET A 300 6.593 -5.998 -1.233 1.00 0.27 C ATOM 763 CG MET A 300 7.362 -4.721 -1.548 1.00 0.32 C ATOM 764 SD MET A 300 9.138 -4.988 -1.719 1.00 0.50 S ATOM 765 CE MET A 300 9.179 -6.147 -3.085 1.00 1.26 C ATOM 0 H MET A 300 4.602 -7.717 -1.155 1.00 0.21 H new ATOM 0 HA MET A 300 5.228 -5.172 0.202 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.142 -6.568 -0.484 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.545 -6.615 -2.131 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.975 -4.289 -2.471 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.185 -3.993 -0.757 1.00 0.32 H new ATOM 0 HE1 MET A 300 10.215 -6.367 -3.344 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.674 -7.068 -2.796 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.674 -5.711 -3.947 1.00 1.26 H new ATOM 775 N LEU A 301 4.244 -3.641 -1.483 1.00 0.19 N ATOM 776 CA LEU A 301 3.524 -2.751 -2.383 1.00 0.19 C ATOM 777 C LEU A 301 4.441 -2.283 -3.503 1.00 0.20 C ATOM 778 O LEU A 301 5.511 -1.732 -3.248 1.00 0.24 O ATOM 779 CB LEU A 301 2.984 -1.539 -1.620 1.00 0.23 C ATOM 780 CG LEU A 301 1.886 -1.841 -0.600 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.686 -0.653 0.324 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.583 -2.194 -1.303 1.00 0.47 C ATOM 0 H LEU A 301 4.619 -3.185 -0.652 1.00 0.19 H new ATOM 0 HA LEU A 301 2.686 -3.301 -2.811 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.814 -1.057 -1.103 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.598 -0.819 -2.342 1.00 0.23 H new ATOM 0 HG LEU A 301 2.195 -2.699 -0.003 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.901 -0.881 1.045 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.616 -0.443 0.853 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.397 0.219 -0.262 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.186 -2.406 -0.560 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.266 -1.356 -1.924 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.734 -3.073 -1.929 1.00 0.47 H new ATOM 794 N LEU A 302 4.030 -2.516 -4.740 1.00 0.20 N ATOM 795 CA LEU A 302 4.829 -2.111 -5.886 1.00 0.22 C ATOM 796 C LEU A 302 4.228 -0.882 -6.559 1.00 0.22 C ATOM 797 O LEU A 302 4.751 0.225 -6.449 1.00 0.29 O ATOM 798 CB LEU A 302 4.920 -3.249 -6.910 1.00 0.27 C ATOM 799 CG LEU A 302 5.366 -4.608 -6.364 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.469 -5.618 -7.500 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.689 -4.488 -5.619 1.00 0.46 C ATOM 0 H LEU A 302 3.153 -2.981 -4.975 1.00 0.20 H new ATOM 0 HA LEU A 302 5.828 -1.869 -5.523 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.943 -3.370 -7.377 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.614 -2.950 -7.696 1.00 0.27 H new ATOM 0 HG LEU A 302 4.618 -4.960 -5.653 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.787 -6.582 -7.102 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.496 -5.726 -7.980 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.198 -5.269 -8.232 1.00 0.53 H new ATOM 0 HD21 LEU A 302 6.984 -5.467 -5.241 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.456 -4.115 -6.298 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.575 -3.796 -4.784 1.00 0.46 H new ATOM 813 N GLN A 303 3.115 -1.093 -7.243 1.00 0.21 N ATOM 814 CA GLN A 303 2.438 -0.031 -7.967 1.00 0.22 C ATOM 815 C GLN A 303 1.123 0.339 -7.292 1.00 0.21 C ATOM 816 O GLN A 303 0.353 -0.535 -6.883 1.00 0.25 O ATOM 817 CB GLN A 303 2.188 -0.486 -9.406 1.00 0.27 C ATOM 818 CG GLN A 303 1.546 0.564 -10.295 1.00 0.32 C ATOM 819 CD GLN A 303 1.241 0.037 -11.684 1.00 0.51 C ATOM 820 OE1 GLN A 303 2.018 -0.939 -12.139 1.00 0.68 O flip ATOM 821 NE2 GLN A 303 0.308 0.496 -12.341 1.00 0.73 N flip ATOM 0 H GLN A 303 2.657 -2.002 -7.312 1.00 0.21 H new ATOM 0 HA GLN A 303 3.071 0.856 -7.968 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.137 -0.788 -9.849 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.549 -1.369 -9.389 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.624 0.914 -9.831 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.210 1.425 -10.374 1.00 0.32 H new ATOM 0 HE21 GLN A 303 -0.266 1.246 -11.956 1.00 0.73 H new ATOM 0 HE22 GLN A 303 0.109 0.127 -13.271 1.00 0.73 H new ATOM 830 N VAL A 304 0.880 1.637 -7.167 1.00 0.20 N ATOM 831 CA VAL A 304 -0.341 2.137 -6.551 1.00 0.21 C ATOM 832 C VAL A 304 -0.966 3.219 -7.426 1.00 0.22 C ATOM 833 O VAL A 304 -0.604 4.388 -7.332 1.00 0.26 O ATOM 834 CB VAL A 304 -0.086 2.708 -5.135 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.382 3.232 -4.524 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.543 1.652 -4.237 1.00 0.27 C ATOM 0 H VAL A 304 1.517 2.367 -7.486 1.00 0.20 H new ATOM 0 HA VAL A 304 -1.023 1.292 -6.457 1.00 0.21 H new ATOM 0 HB VAL A 304 0.611 3.542 -5.223 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.181 3.629 -3.529 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.788 4.023 -5.155 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.105 2.419 -4.451 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.715 2.072 -3.246 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.127 0.796 -4.157 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.493 1.330 -4.664 1.00 0.27 H new ATOM 846 N ASN A 305 -1.892 2.805 -8.285 1.00 0.27 N ATOM 847 CA ASN A 305 -2.584 3.713 -9.201 1.00 0.33 C ATOM 848 C ASN A 305 -1.608 4.433 -10.128 1.00 0.31 C ATOM 849 O ASN A 305 -1.276 5.606 -9.918 1.00 0.34 O ATOM 850 CB ASN A 305 -3.443 4.729 -8.436 1.00 0.39 C ATOM 851 CG ASN A 305 -4.876 4.255 -8.264 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.144 3.056 -8.204 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.808 5.194 -8.182 1.00 1.14 N ATOM 0 H ASN A 305 -2.186 1.832 -8.368 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.243 3.101 -9.817 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.002 4.910 -7.456 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.438 5.680 -8.968 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.787 4.932 -8.065 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.546 6.178 -8.236 1.00 1.14 H new ATOM 860 N ASP A 306 -1.136 3.695 -11.135 1.00 0.32 N ATOM 861 CA ASP A 306 -0.212 4.206 -12.159 1.00 0.35 C ATOM 862 C ASP A 306 1.222 4.367 -11.658 1.00 0.31 C ATOM 863 O ASP A 306 2.149 3.841 -12.273 1.00 0.35 O ATOM 864 CB ASP A 306 -0.708 5.529 -12.752 1.00 0.42 C ATOM 865 CG ASP A 306 -1.629 5.324 -13.934 1.00 0.66 C ATOM 866 OD1 ASP A 306 -2.820 5.017 -13.716 1.00 1.11 O ATOM 867 OD2 ASP A 306 -1.173 5.472 -15.086 1.00 1.06 O ATOM 0 H ASP A 306 -1.385 2.715 -11.267 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.196 3.445 -12.939 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.231 6.095 -11.982 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.148 6.128 -13.062 1.00 0.42 H new ATOM 872 N VAL A 307 1.411 5.083 -10.556 1.00 0.30 N ATOM 873 CA VAL A 307 2.757 5.309 -10.026 1.00 0.29 C ATOM 874 C VAL A 307 3.358 4.034 -9.437 1.00 0.25 C ATOM 875 O VAL A 307 2.676 3.252 -8.768 1.00 0.28 O ATOM 876 CB VAL A 307 2.793 6.434 -8.967 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.529 7.784 -9.615 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.792 6.175 -7.853 1.00 0.53 C ATOM 0 H VAL A 307 0.661 5.514 -10.015 1.00 0.30 H new ATOM 0 HA VAL A 307 3.361 5.623 -10.878 1.00 0.29 H new ATOM 0 HB VAL A 307 3.790 6.446 -8.526 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.558 8.564 -8.855 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.292 7.982 -10.368 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.547 7.775 -10.088 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.842 6.984 -7.124 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.787 6.125 -8.272 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.029 5.230 -7.363 1.00 0.53 H new ATOM 888 N ASN A 308 4.644 3.839 -9.694 1.00 0.25 N ATOM 889 CA ASN A 308 5.362 2.667 -9.214 1.00 0.25 C ATOM 890 C ASN A 308 6.390 3.067 -8.165 1.00 0.24 C ATOM 891 O ASN A 308 7.180 3.985 -8.382 1.00 0.33 O ATOM 892 CB ASN A 308 6.053 1.968 -10.384 1.00 0.33 C ATOM 893 CG ASN A 308 6.505 0.568 -10.033 1.00 0.46 C ATOM 894 OD1 ASN A 308 5.918 -0.087 -9.175 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.548 0.094 -10.692 1.00 0.74 N ATOM 0 H ASN A 308 5.216 4.485 -10.238 1.00 0.25 H new ATOM 0 HA ASN A 308 4.649 1.981 -8.757 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.370 1.924 -11.232 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.915 2.557 -10.698 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.892 -0.846 -10.495 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.009 0.668 -11.398 1.00 0.74 H new ATOM 902 N PHE A 309 6.390 2.369 -7.036 1.00 0.22 N ATOM 903 CA PHE A 309 7.317 2.675 -5.951 1.00 0.24 C ATOM 904 C PHE A 309 8.488 1.697 -5.911 1.00 0.26 C ATOM 905 O PHE A 309 9.310 1.744 -4.995 1.00 0.30 O ATOM 906 CB PHE A 309 6.587 2.657 -4.605 1.00 0.28 C ATOM 907 CG PHE A 309 5.421 3.608 -4.524 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.535 4.913 -4.979 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.210 3.193 -3.994 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.467 5.786 -4.902 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.139 4.063 -3.915 1.00 0.33 C ATOM 912 CZ PHE A 309 3.266 5.360 -4.372 1.00 0.33 C ATOM 0 H PHE A 309 5.761 1.589 -6.847 1.00 0.22 H new ATOM 0 HA PHE A 309 7.716 3.672 -6.138 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.231 1.645 -4.411 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.297 2.902 -3.815 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.471 5.251 -5.399 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.102 2.179 -3.639 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.572 6.801 -5.256 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.202 3.728 -3.495 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.428 6.039 -4.315 1.00 0.33 H new ATOM 922 N GLU A 310 8.573 0.824 -6.911 1.00 0.29 N ATOM 923 CA GLU A 310 9.650 -0.165 -6.972 1.00 0.33 C ATOM 924 C GLU A 310 11.024 0.499 -7.020 1.00 0.35 C ATOM 925 O GLU A 310 12.004 -0.045 -6.511 1.00 0.47 O ATOM 926 CB GLU A 310 9.476 -1.082 -8.183 1.00 0.40 C ATOM 927 CG GLU A 310 8.411 -2.146 -7.985 1.00 0.54 C ATOM 928 CD GLU A 310 8.231 -3.032 -9.200 1.00 0.67 C ATOM 929 OE1 GLU A 310 7.647 -2.566 -10.202 1.00 1.04 O ATOM 930 OE2 GLU A 310 8.674 -4.196 -9.161 1.00 1.21 O ATOM 0 H GLU A 310 7.913 0.779 -7.688 1.00 0.29 H new ATOM 0 HA GLU A 310 9.591 -0.760 -6.061 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.218 -0.478 -9.053 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.427 -1.567 -8.402 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.677 -2.764 -7.127 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.462 -1.664 -7.749 1.00 0.54 H new ATOM 937 N ASN A 311 11.098 1.676 -7.626 1.00 0.35 N ATOM 938 CA ASN A 311 12.360 2.398 -7.723 1.00 0.41 C ATOM 939 C ASN A 311 12.251 3.750 -7.026 1.00 0.37 C ATOM 940 O ASN A 311 12.524 4.794 -7.615 1.00 0.48 O ATOM 941 CB ASN A 311 12.769 2.585 -9.188 1.00 0.54 C ATOM 942 CG ASN A 311 14.256 2.866 -9.353 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.899 3.439 -8.474 1.00 1.27 O ATOM 944 ND2 ASN A 311 14.814 2.466 -10.484 1.00 1.32 N ATOM 0 H ASN A 311 10.304 2.150 -8.056 1.00 0.35 H new ATOM 0 HA ASN A 311 13.131 1.808 -7.226 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.508 1.689 -9.751 1.00 0.54 H new ATOM 0 HB3 ASN A 311 12.198 3.408 -9.618 1.00 0.54 H new ATOM 0 HD21 ASN A 311 15.807 2.630 -10.649 1.00 1.32 H new ATOM 0 HD22 ASN A 311 14.251 1.994 -11.191 1.00 1.32 H new ATOM 951 N MET A 312 11.825 3.723 -5.772 1.00 0.30 N ATOM 952 CA MET A 312 11.682 4.937 -4.980 1.00 0.28 C ATOM 953 C MET A 312 12.123 4.683 -3.545 1.00 0.26 C ATOM 954 O MET A 312 12.201 3.535 -3.106 1.00 0.34 O ATOM 955 CB MET A 312 10.233 5.434 -5.000 1.00 0.28 C ATOM 956 CG MET A 312 9.863 6.182 -6.273 1.00 0.39 C ATOM 957 SD MET A 312 8.104 6.567 -6.374 1.00 0.37 S ATOM 958 CE MET A 312 7.918 7.702 -5.002 1.00 0.51 C ATOM 0 H MET A 312 11.571 2.868 -5.278 1.00 0.30 H new ATOM 0 HA MET A 312 12.317 5.706 -5.419 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.564 4.582 -4.882 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.070 6.088 -4.144 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.436 7.108 -6.324 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.149 5.582 -7.137 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.335 8.566 -5.321 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.404 7.200 -4.182 1.00 0.51 H new ATOM 0 HE3 MET A 312 8.901 8.031 -4.666 1.00 0.51 H new ATOM 968 N SER A 313 12.429 5.754 -2.828 1.00 0.26 N ATOM 969 CA SER A 313 12.854 5.659 -1.440 1.00 0.28 C ATOM 970 C SER A 313 11.699 5.197 -0.550 1.00 0.24 C ATOM 971 O SER A 313 10.538 5.509 -0.824 1.00 0.26 O ATOM 972 CB SER A 313 13.374 7.019 -0.985 1.00 0.36 C ATOM 973 OG SER A 313 13.453 7.913 -2.088 1.00 0.97 O ATOM 0 H SER A 313 12.390 6.707 -3.189 1.00 0.26 H new ATOM 0 HA SER A 313 13.651 4.920 -1.356 1.00 0.28 H new ATOM 0 HB2 SER A 313 12.714 7.431 -0.221 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.358 6.906 -0.529 1.00 0.36 H new ATOM 0 HG SER A 313 13.019 8.760 -1.854 1.00 0.97 H new ATOM 979 N ASN A 314 12.032 4.464 0.511 1.00 0.26 N ATOM 980 CA ASN A 314 11.033 3.937 1.450 1.00 0.27 C ATOM 981 C ASN A 314 10.065 5.025 1.912 1.00 0.25 C ATOM 982 O ASN A 314 8.850 4.858 1.836 1.00 0.33 O ATOM 983 CB ASN A 314 11.709 3.313 2.681 1.00 0.35 C ATOM 984 CG ASN A 314 12.437 2.012 2.386 1.00 0.37 C ATOM 985 OD1 ASN A 314 12.167 1.336 1.395 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.362 1.647 3.259 1.00 0.48 N ATOM 0 H ASN A 314 12.993 4.218 0.746 1.00 0.26 H new ATOM 0 HA ASN A 314 10.472 3.171 0.915 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.418 4.029 3.097 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.954 3.131 3.446 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.879 0.778 3.121 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.558 2.234 4.070 1.00 0.48 H new ATOM 993 N ASP A 315 10.616 6.145 2.373 1.00 0.26 N ATOM 994 CA ASP A 315 9.811 7.265 2.865 1.00 0.28 C ATOM 995 C ASP A 315 8.960 7.878 1.762 1.00 0.23 C ATOM 996 O ASP A 315 7.765 8.117 1.943 1.00 0.24 O ATOM 997 CB ASP A 315 10.712 8.351 3.457 1.00 0.37 C ATOM 998 CG ASP A 315 11.122 8.058 4.882 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.304 8.283 5.794 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.269 7.609 5.089 1.00 1.40 O ATOM 0 H ASP A 315 11.623 6.303 2.417 1.00 0.26 H new ATOM 0 HA ASP A 315 9.149 6.868 3.635 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.605 8.452 2.840 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.191 9.308 3.423 1.00 0.37 H new ATOM 1005 N ASP A 316 9.586 8.129 0.619 1.00 0.23 N ATOM 1006 CA ASP A 316 8.908 8.740 -0.521 1.00 0.24 C ATOM 1007 C ASP A 316 7.746 7.887 -1.012 1.00 0.19 C ATOM 1008 O ASP A 316 6.718 8.415 -1.436 1.00 0.20 O ATOM 1009 CB ASP A 316 9.893 8.994 -1.664 1.00 0.32 C ATOM 1010 CG ASP A 316 10.793 10.181 -1.398 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.273 11.265 -1.065 1.00 0.69 O ATOM 1012 OD2 ASP A 316 12.029 10.036 -1.520 1.00 0.88 O ATOM 0 H ASP A 316 10.570 7.917 0.455 1.00 0.23 H new ATOM 0 HA ASP A 316 8.503 9.694 -0.182 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.505 8.105 -1.817 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.338 9.162 -2.587 1.00 0.32 H new ATOM 1017 N ALA A 317 7.905 6.573 -0.937 1.00 0.17 N ATOM 1018 CA ALA A 317 6.867 5.650 -1.371 1.00 0.16 C ATOM 1019 C ALA A 317 5.582 5.865 -0.577 1.00 0.14 C ATOM 1020 O ALA A 317 4.494 5.931 -1.148 1.00 0.17 O ATOM 1021 CB ALA A 317 7.344 4.215 -1.224 1.00 0.20 C ATOM 0 H ALA A 317 8.746 6.121 -0.578 1.00 0.17 H new ATOM 0 HA ALA A 317 6.655 5.844 -2.422 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.558 3.535 -1.552 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.234 4.063 -1.835 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.583 4.016 -0.179 1.00 0.20 H new ATOM 1027 N VAL A 318 5.716 6.004 0.740 1.00 0.12 N ATOM 1028 CA VAL A 318 4.555 6.208 1.600 1.00 0.12 C ATOM 1029 C VAL A 318 4.013 7.623 1.443 1.00 0.11 C ATOM 1030 O VAL A 318 2.808 7.842 1.546 1.00 0.14 O ATOM 1031 CB VAL A 318 4.861 5.941 3.090 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.600 5.505 3.823 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.951 4.897 3.239 1.00 0.21 C ATOM 0 H VAL A 318 6.610 5.979 1.231 1.00 0.12 H new ATOM 0 HA VAL A 318 3.805 5.484 1.280 1.00 0.12 H new ATOM 0 HB VAL A 318 5.217 6.870 3.536 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.834 5.321 4.872 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.848 6.290 3.751 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.214 4.591 3.372 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.149 4.726 4.297 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.628 3.965 2.775 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.861 5.249 2.752 1.00 0.21 H new ATOM 1043 N ARG A 319 4.906 8.580 1.183 1.00 0.12 N ATOM 1044 CA ARG A 319 4.508 9.977 1.005 1.00 0.16 C ATOM 1045 C ARG A 319 3.446 10.098 -0.078 1.00 0.14 C ATOM 1046 O ARG A 319 2.393 10.706 0.133 1.00 0.22 O ATOM 1047 CB ARG A 319 5.719 10.845 0.650 1.00 0.21 C ATOM 1048 CG ARG A 319 6.586 11.189 1.849 1.00 0.35 C ATOM 1049 CD ARG A 319 7.795 12.028 1.462 1.00 0.40 C ATOM 1050 NE ARG A 319 8.643 12.306 2.619 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.965 12.146 2.647 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.629 11.777 1.558 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.631 12.370 3.771 1.00 0.81 N ATOM 0 H ARG A 319 5.908 8.413 1.091 1.00 0.12 H new ATOM 0 HA ARG A 319 4.090 10.331 1.947 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.326 10.324 -0.090 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.372 11.768 0.185 1.00 0.21 H new ATOM 0 HG2 ARG A 319 5.990 11.731 2.583 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.922 10.269 2.328 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.375 11.505 0.701 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.462 12.967 1.019 1.00 0.40 H new ATOM 0 HE ARG A 319 8.190 12.647 3.467 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.127 11.612 0.686 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.641 11.658 1.594 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.131 12.664 4.610 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.643 12.249 3.797 1.00 0.81 H new ATOM 1067 N VAL A 320 3.723 9.496 -1.226 1.00 0.10 N ATOM 1068 CA VAL A 320 2.794 9.522 -2.346 1.00 0.10 C ATOM 1069 C VAL A 320 1.572 8.660 -2.039 1.00 0.09 C ATOM 1070 O VAL A 320 0.444 9.038 -2.348 1.00 0.11 O ATOM 1071 CB VAL A 320 3.462 9.029 -3.650 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.537 9.226 -4.843 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.787 9.741 -3.880 1.00 0.17 C ATOM 0 H VAL A 320 4.586 8.983 -1.406 1.00 0.10 H new ATOM 0 HA VAL A 320 2.484 10.557 -2.492 1.00 0.10 H new ATOM 0 HB VAL A 320 3.659 7.962 -3.544 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.030 8.871 -5.748 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.617 8.663 -4.687 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.301 10.285 -4.949 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.239 9.378 -4.803 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.615 10.814 -3.958 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.458 9.541 -3.044 1.00 0.17 H new ATOM 1083 N LEU A 321 1.810 7.511 -1.407 1.00 0.08 N ATOM 1084 CA LEU A 321 0.737 6.586 -1.047 1.00 0.09 C ATOM 1085 C LEU A 321 -0.332 7.275 -0.210 1.00 0.09 C ATOM 1086 O LEU A 321 -1.520 7.203 -0.519 1.00 0.10 O ATOM 1087 CB LEU A 321 1.296 5.395 -0.260 1.00 0.11 C ATOM 1088 CG LEU A 321 0.275 4.319 0.113 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.326 3.692 -1.131 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.923 3.257 0.983 1.00 0.29 C ATOM 0 H LEU A 321 2.741 7.198 -1.133 1.00 0.08 H new ATOM 0 HA LEU A 321 0.286 6.235 -1.975 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.088 4.932 -0.848 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.755 5.769 0.655 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.529 4.790 0.678 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.049 2.930 -0.841 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.826 4.461 -1.721 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.464 3.235 -1.726 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.185 2.498 1.241 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.746 2.793 0.439 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.304 3.717 1.895 1.00 0.29 H new ATOM 1102 N ARG A 322 0.103 7.962 0.840 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.813 8.645 1.741 1.00 0.12 C ATOM 1104 C ARG A 322 -1.575 9.754 1.026 1.00 0.13 C ATOM 1105 O ARG A 322 -2.716 10.047 1.374 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.061 9.184 2.960 1.00 0.15 C ATOM 1107 CG ARG A 322 0.684 8.104 3.734 1.00 0.19 C ATOM 1108 CD ARG A 322 1.242 8.633 5.046 1.00 0.34 C ATOM 1109 NE ARG A 322 0.251 8.610 6.120 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.559 8.592 7.417 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.828 8.597 7.808 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -0.408 8.562 8.324 1.00 1.28 N ATOM 0 H ARG A 322 1.088 8.060 1.087 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.550 7.920 2.087 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.650 9.943 2.633 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.769 9.676 3.627 1.00 0.15 H new ATOM 0 HG2 ARG A 322 0.011 7.271 3.935 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.499 7.715 3.123 1.00 0.19 H new ATOM 0 HD2 ARG A 322 2.105 8.035 5.338 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.595 9.654 4.903 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.736 8.608 5.862 1.00 0.49 H new ATOM 0 HH11 ARG A 322 2.575 8.615 7.114 1.00 1.57 H new ATOM 0 HH12 ARG A 322 2.055 8.583 8.802 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.384 8.553 8.029 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -0.176 8.548 9.317 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.956 10.354 0.017 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.609 11.407 -0.751 1.00 0.15 C ATOM 1128 C GLU A 323 -2.753 10.816 -1.570 1.00 0.14 C ATOM 1129 O GLU A 323 -3.830 11.402 -1.674 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.612 12.107 -1.682 1.00 0.20 C ATOM 1131 CG GLU A 323 0.348 13.044 -0.966 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.367 14.140 -0.205 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.001 15.005 -0.845 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.297 14.146 1.041 1.00 1.87 O ATOM 0 H GLU A 323 -0.008 10.131 -0.287 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.003 12.146 -0.053 1.00 0.15 H new ATOM 0 HB2 GLU A 323 -0.036 11.351 -2.215 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.166 12.673 -2.431 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.963 12.469 -0.274 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.023 13.493 -1.695 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.507 9.638 -2.133 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.503 8.943 -2.944 1.00 0.14 C ATOM 1143 C ILE A 324 -4.666 8.449 -2.087 1.00 0.14 C ATOM 1144 O ILE A 324 -5.829 8.582 -2.465 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.877 7.747 -3.699 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.711 8.220 -4.573 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.922 7.041 -4.552 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.880 7.092 -5.149 1.00 0.29 C ATOM 0 H ILE A 324 -1.621 9.141 -2.042 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.879 9.662 -3.672 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.499 7.038 -2.962 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.104 8.823 -5.391 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.065 8.868 -3.981 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.460 6.203 -5.074 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.725 6.672 -3.913 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.331 7.741 -5.280 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.075 7.506 -5.755 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.456 6.501 -4.337 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.511 6.455 -5.770 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.350 7.898 -0.922 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.377 7.384 -0.015 1.00 0.13 C ATOM 1162 C VAL A 325 -6.199 8.530 0.581 1.00 0.16 C ATOM 1163 O VAL A 325 -7.300 8.325 1.094 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.759 6.514 1.109 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.845 5.905 1.988 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.886 5.422 0.507 1.00 0.16 C ATOM 0 H VAL A 325 -3.394 7.794 -0.581 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.042 6.748 -0.599 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.139 7.155 1.736 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.384 5.299 2.768 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.432 6.701 2.446 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.497 5.278 1.379 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.457 4.817 1.306 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.491 4.789 -0.142 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.084 5.877 -0.074 1.00 0.16 H new ATOM 1176 N SER A 326 -5.673 9.743 0.490 1.00 0.19 N ATOM 1177 CA SER A 326 -6.368 10.918 1.001 1.00 0.24 C ATOM 1178 C SER A 326 -7.123 11.618 -0.131 1.00 0.27 C ATOM 1179 O SER A 326 -7.408 12.814 -0.061 1.00 0.44 O ATOM 1180 CB SER A 326 -5.377 11.880 1.652 1.00 0.32 C ATOM 1181 OG SER A 326 -4.667 11.246 2.703 1.00 0.37 O ATOM 0 H SER A 326 -4.766 9.940 0.067 1.00 0.19 H new ATOM 0 HA SER A 326 -7.087 10.598 1.756 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.675 12.246 0.903 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.909 12.748 2.040 1.00 0.32 H new ATOM 0 HG SER A 326 -3.994 10.642 2.325 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.436 10.860 -1.174 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.151 11.388 -2.322 1.00 0.32 C ATOM 1189 C GLN A 327 -9.402 10.557 -2.588 1.00 0.34 C ATOM 1190 O GLN A 327 -9.695 9.612 -1.854 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.243 11.388 -3.555 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.243 12.706 -4.314 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.599 13.839 -3.535 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.558 13.533 -2.772 1.00 1.16 O flip ATOM 1195 NE2 GLN A 327 -7.027 14.989 -3.636 1.00 0.94 N flip ATOM 0 H GLN A 327 -7.202 9.870 -1.246 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.451 12.414 -2.109 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.224 11.158 -3.245 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.559 10.591 -4.228 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.714 12.575 -5.258 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.270 12.978 -4.559 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -7.830 15.184 -4.234 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -6.578 15.747 -3.122 1.00 0.94 H new ATOM 1204 N THR A 328 -10.146 10.919 -3.620 1.00 0.42 N ATOM 1205 CA THR A 328 -11.355 10.196 -3.978 1.00 0.49 C ATOM 1206 C THR A 328 -11.141 9.392 -5.256 1.00 0.51 C ATOM 1207 O THR A 328 -10.393 9.810 -6.147 1.00 0.84 O ATOM 1208 CB THR A 328 -12.537 11.162 -4.171 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.056 12.435 -4.625 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.309 11.341 -2.874 1.00 0.89 C ATOM 0 H THR A 328 -9.933 11.711 -4.226 1.00 0.42 H new ATOM 0 HA THR A 328 -11.588 9.514 -3.160 1.00 0.49 H new ATOM 0 HB THR A 328 -13.208 10.737 -4.917 1.00 0.66 H new ATOM 0 HG1 THR A 328 -12.813 13.046 -4.748 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.139 12.028 -3.037 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.695 10.377 -2.545 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.647 11.747 -2.109 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.783 8.239 -5.342 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.646 7.402 -6.516 1.00 0.44 C ATOM 1220 C GLY A 329 -11.183 6.003 -6.172 1.00 0.39 C ATOM 1221 O GLY A 329 -10.800 5.741 -5.032 1.00 0.43 O ATOM 0 H GLY A 329 -12.398 7.866 -4.619 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.603 7.348 -7.035 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.935 7.859 -7.204 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.223 5.077 -7.140 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.798 3.694 -6.928 1.00 0.39 C ATOM 1227 C PRO A 330 -9.282 3.565 -6.843 1.00 0.36 C ATOM 1228 O PRO A 330 -8.545 4.178 -7.620 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.336 2.970 -8.161 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.418 4.008 -9.223 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.685 5.312 -8.522 1.00 0.52 C ATOM 0 HA PRO A 330 -11.168 3.287 -5.987 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.675 2.155 -8.458 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.314 2.531 -7.964 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.489 4.056 -9.792 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.214 3.777 -9.931 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.143 6.134 -8.989 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.743 5.571 -8.550 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.817 2.769 -5.894 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.391 2.565 -5.709 1.00 0.25 C ATOM 1241 C ILE A 331 -7.020 1.114 -5.994 1.00 0.25 C ATOM 1242 O ILE A 331 -7.556 0.192 -5.380 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.943 2.941 -4.278 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.262 4.411 -3.993 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.452 2.676 -4.094 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.057 4.807 -2.547 1.00 0.35 C ATOM 0 H ILE A 331 -9.407 2.254 -5.240 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.875 3.218 -6.412 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.491 2.320 -3.570 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.635 5.039 -4.625 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.297 4.610 -4.272 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.157 2.947 -3.080 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.247 1.619 -4.261 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.885 3.273 -4.809 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.302 5.861 -2.420 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.704 4.205 -1.910 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.017 4.641 -2.268 1.00 0.35 H new ATOM 1258 N SER A 332 -6.125 0.917 -6.946 1.00 0.28 N ATOM 1259 CA SER A 332 -5.670 -0.412 -7.313 1.00 0.31 C ATOM 1260 C SER A 332 -4.254 -0.642 -6.787 1.00 0.27 C ATOM 1261 O SER A 332 -3.321 0.091 -7.125 1.00 0.31 O ATOM 1262 CB SER A 332 -5.725 -0.576 -8.831 1.00 0.41 C ATOM 1263 OG SER A 332 -6.986 -0.152 -9.333 1.00 1.09 O ATOM 0 H SER A 332 -5.695 1.670 -7.484 1.00 0.28 H new ATOM 0 HA SER A 332 -6.325 -1.158 -6.863 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.928 0.006 -9.295 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.554 -1.619 -9.096 1.00 0.41 H new ATOM 0 HG SER A 332 -7.004 -0.262 -10.307 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.103 -1.667 -5.959 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.820 -1.983 -5.353 1.00 0.26 C ATOM 1271 C LEU A 333 -2.185 -3.206 -5.996 1.00 0.26 C ATOM 1272 O LEU A 333 -2.832 -4.238 -6.169 1.00 0.30 O ATOM 1273 CB LEU A 333 -2.993 -2.237 -3.852 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.580 -1.073 -3.052 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -3.817 -1.491 -1.610 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.657 0.130 -3.107 1.00 0.39 C ATOM 0 H LEU A 333 -4.860 -2.297 -5.691 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.163 -1.128 -5.512 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.636 -3.107 -3.720 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.021 -2.492 -3.430 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.535 -0.795 -3.497 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.235 -0.653 -1.052 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.515 -2.328 -1.584 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -2.872 -1.792 -1.158 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.091 0.948 -2.532 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.688 -0.136 -2.685 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.528 0.443 -4.143 1.00 0.39 H new ATOM 1288 N THR A 334 -0.924 -3.073 -6.366 1.00 0.24 N ATOM 1289 CA THR A 334 -0.174 -4.168 -6.950 1.00 0.26 C ATOM 1290 C THR A 334 0.778 -4.728 -5.898 1.00 0.26 C ATOM 1291 O THR A 334 1.804 -4.120 -5.594 1.00 0.28 O ATOM 1292 CB THR A 334 0.628 -3.701 -8.177 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.151 -2.772 -8.937 1.00 0.50 O ATOM 1294 CG2 THR A 334 1.016 -4.874 -9.059 1.00 0.42 C ATOM 0 H THR A 334 -0.394 -2.207 -6.270 1.00 0.24 H new ATOM 0 HA THR A 334 -0.873 -4.937 -7.278 1.00 0.26 H new ATOM 0 HB THR A 334 1.540 -3.220 -7.823 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.218 -1.925 -8.449 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.582 -4.512 -9.918 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.629 -5.571 -8.488 1.00 0.42 H new ATOM 0 HG23 THR A 334 0.116 -5.382 -9.405 1.00 0.42 H new ATOM 1302 N VAL A 335 0.421 -5.868 -5.328 1.00 0.26 N ATOM 1303 CA VAL A 335 1.233 -6.477 -4.285 1.00 0.28 C ATOM 1304 C VAL A 335 2.063 -7.642 -4.804 1.00 0.28 C ATOM 1305 O VAL A 335 1.620 -8.416 -5.655 1.00 0.32 O ATOM 1306 CB VAL A 335 0.372 -6.966 -3.098 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.206 -5.783 -2.335 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.740 -7.902 -3.567 1.00 0.31 C ATOM 0 H VAL A 335 -0.422 -6.389 -5.568 1.00 0.26 H new ATOM 0 HA VAL A 335 1.907 -5.692 -3.942 1.00 0.28 H new ATOM 0 HB VAL A 335 1.018 -7.530 -2.425 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.809 -6.146 -1.503 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.606 -5.165 -1.952 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.830 -5.189 -3.003 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.327 -8.228 -2.709 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.386 -7.376 -4.270 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.301 -8.771 -4.058 1.00 0.31 H new ATOM 1318 N ALA A 336 3.273 -7.748 -4.281 1.00 0.28 N ATOM 1319 CA ALA A 336 4.185 -8.816 -4.646 1.00 0.31 C ATOM 1320 C ALA A 336 4.311 -9.795 -3.491 1.00 0.33 C ATOM 1321 O ALA A 336 4.841 -9.453 -2.430 1.00 0.38 O ATOM 1322 CB ALA A 336 5.549 -8.252 -5.009 1.00 0.34 C ATOM 0 H ALA A 336 3.649 -7.096 -3.592 1.00 0.28 H new ATOM 0 HA ALA A 336 3.788 -9.338 -5.517 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.220 -9.068 -5.280 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.448 -7.570 -5.853 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.959 -7.714 -4.155 1.00 0.34 H new ATOM 1328 N LYS A 337 3.799 -10.996 -3.690 1.00 0.36 N ATOM 1329 CA LYS A 337 3.844 -12.029 -2.671 1.00 0.40 C ATOM 1330 C LYS A 337 4.943 -13.030 -2.995 1.00 0.47 C ATOM 1331 O LYS A 337 4.760 -13.838 -3.932 1.00 0.60 O ATOM 1332 CB LYS A 337 2.488 -12.738 -2.574 1.00 0.41 C ATOM 1333 CG LYS A 337 1.302 -11.782 -2.511 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.029 -12.517 -2.613 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.344 -13.295 -1.346 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.805 -12.415 -0.241 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.994 -12.997 -2.329 1.00 0.70 O ATOM 0 H LYS A 337 3.343 -11.282 -4.557 1.00 0.36 H new ATOM 0 HA LYS A 337 4.062 -11.567 -1.708 1.00 0.40 H new ATOM 0 HB2 LYS A 337 2.369 -13.395 -3.435 1.00 0.41 H new ATOM 0 HB3 LYS A 337 2.481 -13.371 -1.687 1.00 0.41 H new ATOM 0 HG2 LYS A 337 1.337 -11.222 -1.576 1.00 0.37 H new ATOM 0 HG3 LYS A 337 1.378 -11.056 -3.320 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -0.826 -11.799 -2.806 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.003 -13.200 -3.462 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.113 -14.037 -1.560 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.545 -13.839 -1.027 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -0.732 -12.925 0.662 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.211 -11.562 -0.206 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.795 -12.142 -0.405 1.00 0.38 H new ATOM 1369 N TRP B 2 0.879 5.020 7.862 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.416 4.372 8.071 1.00 0.13 C ATOM 1371 C TRP B 2 -1.485 5.017 7.200 1.00 0.14 C ATOM 1372 O TRP B 2 -1.614 6.242 7.171 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.843 4.486 9.542 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.260 3.436 10.442 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.989 3.425 10.994 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -0.915 2.249 10.909 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.153 2.303 11.769 1.00 0.32 N ATOM 1378 CE2 TRP B 2 0.000 1.565 11.733 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.184 1.693 10.710 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.314 0.359 12.356 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.493 0.498 11.327 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.563 -0.159 12.140 1.00 0.39 C ATOM 0 HA TRP B 2 -0.310 3.322 7.800 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.554 5.468 9.916 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.930 4.431 9.597 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.739 4.188 10.843 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.997 2.059 12.287 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -2.909 2.191 10.084 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.401 -0.149 12.986 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.470 0.062 11.180 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -1.836 -1.094 12.607 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.249 4.198 6.490 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.320 4.703 5.643 1.00 0.11 C ATOM 1395 C VAL B 3 -4.451 3.700 5.588 1.00 0.14 C ATOM 1396 O VAL B 3 -5.574 4.076 5.204 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.864 5.038 4.207 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.410 6.479 4.121 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.764 4.107 3.715 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.216 2.540 5.973 1.00 0.27 O ATOM 0 H VAL B 3 -2.147 3.183 6.484 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.654 5.636 6.096 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.725 4.891 3.555 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.091 6.700 3.102 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.235 7.137 4.394 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.576 6.639 4.805 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.479 4.385 2.700 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.897 4.189 4.371 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.127 3.079 3.721 1.00 0.11 H new