USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 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 265 SER OG : rot -161:sc= 0.957 USER MOD Set 1.2: A 282 SER OG : rot 180:sc= 0.408 USER MOD Set 2.1: A 269 GLN : amide:sc= -0.983 K(o=-0.98,f=0.016) USER MOD Set 2.2: A 279 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 251 THR OG1 : rot 180:sc= 0.999 USER MOD Set 3.2: A 334 THR OG1 : rot -73:sc= 1.19 USER MOD Single : A 248 ASN : amide:sc= -0.0587 K(o=-0.059,f=-1.9!) USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.592 K(o=0.59,f=-5.8!) USER MOD Single : A 256 MET CE :methyl -166:sc= -0.0153 (180deg=-0.248) USER MOD Single : A 259 HIS : no HE2:sc= 0.569 K(o=0.57,f=-2.3!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 284 MET CE :methyl 157:sc= -0.0799 (180deg=-0.922) USER MOD Single : A 285 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0157) USER MOD Single : A 300 MET CE :methyl 144:sc= -0.112 (180deg=-2.23!) USER MOD Single : A 303 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.88) USER MOD Single : A 305 ASN : amide:sc= 0.977 K(o=0.98,f=-6.8!) USER MOD Single : A 308 ASN : amide:sc= 1.01 K(o=1,f=-3) USER MOD Single : A 311 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.2) USER MOD Single : A 312 MET CE :methyl 162:sc= -0.0851 (180deg=-0.501) USER MOD Single : A 313 SER OG : rot 138:sc= 1.39 USER MOD Single : A 314 ASN : amide:sc= 0.481 K(o=0.48,f=-0.14) USER MOD Single : A 326 SER OG : rot 93:sc= 1.22 USER MOD Single : A 327 GLN : amide:sc= -0.065 X(o=-0.065,f=-0.21) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0928 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 337 LYS NZ :NH3+ 169:sc= 1.3 (180deg=0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.651 -14.183 -6.495 1.00 0.52 N ATOM 2 CA ASN A 248 3.343 -13.958 -7.147 1.00 0.49 C ATOM 3 C ASN A 248 2.916 -12.505 -6.984 1.00 0.44 C ATOM 4 O ASN A 248 2.820 -12.001 -5.870 1.00 0.47 O ATOM 5 CB ASN A 248 2.291 -14.887 -6.534 1.00 0.57 C ATOM 6 CG ASN A 248 1.068 -15.044 -7.416 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.484 -14.065 -7.869 1.00 0.99 O ATOM 8 ND2 ASN A 248 0.678 -16.283 -7.676 1.00 1.26 N ATOM 0 HA ASN A 248 3.436 -14.177 -8.211 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.735 -15.867 -6.357 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.987 -14.495 -5.563 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -0.134 -16.448 -8.271 1.00 1.26 H new ATOM 0 HD22 ASN A 248 1.189 -17.072 -7.281 1.00 1.26 H new ATOM 17 N ILE A 249 2.669 -11.831 -8.097 1.00 0.45 N ATOM 18 CA ILE A 249 2.257 -10.434 -8.067 1.00 0.43 C ATOM 19 C ILE A 249 0.784 -10.301 -8.431 1.00 0.42 C ATOM 20 O ILE A 249 0.357 -10.721 -9.511 1.00 0.50 O ATOM 21 CB ILE A 249 3.113 -9.580 -9.024 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.582 -9.637 -8.596 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.616 -8.141 -9.052 1.00 0.50 C ATOM 24 CD1 ILE A 249 5.518 -8.944 -9.555 1.00 0.65 C ATOM 0 H ILE A 249 2.746 -12.228 -9.033 1.00 0.45 H new ATOM 0 HA ILE A 249 2.406 -10.067 -7.051 1.00 0.43 H new ATOM 0 HB ILE A 249 3.024 -9.985 -10.032 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.683 -9.182 -7.611 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.883 -10.680 -8.498 1.00 0.54 H new ATOM 0 HG21 ILE A 249 3.234 -7.556 -9.733 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.581 -8.120 -9.392 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.677 -7.715 -8.050 1.00 0.50 H new ATOM 0 HD11 ILE A 249 6.541 -9.025 -9.187 1.00 0.65 H new ATOM 0 HD12 ILE A 249 5.447 -9.413 -10.536 1.00 0.65 H new ATOM 0 HD13 ILE A 249 5.243 -7.892 -9.635 1.00 0.65 H new ATOM 36 N ILE A 250 0.007 -9.716 -7.529 1.00 0.39 N ATOM 37 CA ILE A 250 -1.422 -9.550 -7.753 1.00 0.41 C ATOM 38 C ILE A 250 -1.849 -8.096 -7.581 1.00 0.37 C ATOM 39 O ILE A 250 -1.482 -7.444 -6.604 1.00 0.36 O ATOM 40 CB ILE A 250 -2.252 -10.426 -6.783 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.675 -11.842 -6.703 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.712 -10.469 -7.225 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.291 -12.692 -5.613 1.00 0.54 C ATOM 0 H ILE A 250 0.341 -9.350 -6.638 1.00 0.39 H new ATOM 0 HA ILE A 250 -1.612 -9.864 -8.779 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.202 -9.981 -5.789 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -1.820 -12.338 -7.663 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -0.600 -11.777 -6.536 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.283 -11.088 -6.534 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.121 -9.459 -7.229 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -3.776 -10.891 -8.228 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -1.831 -13.680 -5.619 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.124 -12.220 -4.645 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.362 -12.789 -5.789 1.00 0.54 H new ATOM 55 N THR A 251 -2.602 -7.592 -8.546 1.00 0.40 N ATOM 56 CA THR A 251 -3.117 -6.236 -8.487 1.00 0.39 C ATOM 57 C THR A 251 -4.601 -6.285 -8.146 1.00 0.40 C ATOM 58 O THR A 251 -5.413 -6.780 -8.930 1.00 0.48 O ATOM 59 CB THR A 251 -2.908 -5.482 -9.817 1.00 0.46 C ATOM 60 OG1 THR A 251 -1.510 -5.454 -10.148 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.447 -4.058 -9.728 1.00 0.47 C ATOM 0 H THR A 251 -2.871 -8.107 -9.384 1.00 0.40 H new ATOM 0 HA THR A 251 -2.568 -5.694 -7.717 1.00 0.39 H new ATOM 0 HB THR A 251 -3.456 -6.008 -10.598 1.00 0.46 H new ATOM 0 HG1 THR A 251 -1.384 -4.976 -10.994 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.287 -3.548 -10.678 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.514 -4.086 -9.506 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.926 -3.520 -8.936 1.00 0.47 H new ATOM 69 N VAL A 252 -4.948 -5.791 -6.970 1.00 0.36 N ATOM 70 CA VAL A 252 -6.329 -5.814 -6.515 1.00 0.38 C ATOM 71 C VAL A 252 -6.989 -4.444 -6.634 1.00 0.35 C ATOM 72 O VAL A 252 -6.313 -3.413 -6.644 1.00 0.39 O ATOM 73 CB VAL A 252 -6.427 -6.294 -5.049 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.681 -7.606 -4.858 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.902 -5.232 -4.091 1.00 0.40 C ATOM 0 H VAL A 252 -4.293 -5.369 -6.312 1.00 0.36 H new ATOM 0 HA VAL A 252 -6.856 -6.515 -7.163 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.479 -6.464 -4.822 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.764 -7.924 -3.819 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.113 -8.368 -5.506 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.630 -7.467 -5.112 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.982 -5.595 -3.066 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.858 -5.020 -4.320 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.490 -4.321 -4.200 1.00 0.40 H new ATOM 85 N THR A 253 -8.308 -4.449 -6.736 1.00 0.39 N ATOM 86 CA THR A 253 -9.073 -3.221 -6.820 1.00 0.40 C ATOM 87 C THR A 253 -9.826 -3.010 -5.503 1.00 0.39 C ATOM 88 O THR A 253 -10.385 -3.956 -4.938 1.00 0.54 O ATOM 89 CB THR A 253 -10.050 -3.241 -8.028 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.356 -1.902 -8.437 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.344 -3.981 -7.712 1.00 0.79 C ATOM 0 H THR A 253 -8.873 -5.298 -6.763 1.00 0.39 H new ATOM 0 HA THR A 253 -8.389 -2.388 -6.982 1.00 0.40 H new ATOM 0 HB THR A 253 -9.549 -3.774 -8.836 1.00 0.50 H new ATOM 0 HG1 THR A 253 -10.971 -1.925 -9.200 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.994 -3.968 -8.587 1.00 0.79 H new ATOM 0 HG22 THR A 253 -11.117 -5.013 -7.444 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.848 -3.492 -6.878 1.00 0.79 H new ATOM 99 N LEU A 254 -9.801 -1.791 -4.986 1.00 0.33 N ATOM 100 CA LEU A 254 -10.471 -1.496 -3.730 1.00 0.35 C ATOM 101 C LEU A 254 -11.558 -0.444 -3.910 1.00 0.35 C ATOM 102 O LEU A 254 -11.360 0.561 -4.595 1.00 0.37 O ATOM 103 CB LEU A 254 -9.458 -1.021 -2.688 1.00 0.36 C ATOM 104 CG LEU A 254 -8.315 -1.994 -2.391 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.363 -1.385 -1.380 1.00 0.46 C ATOM 106 CD2 LEU A 254 -8.854 -3.324 -1.879 1.00 0.45 C ATOM 0 H LEU A 254 -9.327 -0.995 -5.414 1.00 0.33 H new ATOM 0 HA LEU A 254 -10.943 -2.415 -3.384 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.030 -0.077 -3.026 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -9.988 -0.816 -1.758 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.773 -2.183 -3.318 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.553 -2.085 -1.175 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -6.950 -0.459 -1.781 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -7.901 -1.172 -0.456 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.023 -3.999 -1.675 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.421 -3.158 -0.963 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.505 -3.767 -2.633 1.00 0.45 H new ATOM 118 N ASN A 255 -12.705 -0.694 -3.290 1.00 0.40 N ATOM 119 CA ASN A 255 -13.836 0.220 -3.356 1.00 0.44 C ATOM 120 C ASN A 255 -13.674 1.323 -2.316 1.00 0.40 C ATOM 121 O ASN A 255 -13.694 1.060 -1.107 1.00 0.39 O ATOM 122 CB ASN A 255 -15.146 -0.540 -3.125 1.00 0.50 C ATOM 123 CG ASN A 255 -16.352 0.379 -3.054 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.696 0.888 -1.986 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.000 0.601 -4.185 1.00 0.65 N ATOM 0 H ASN A 255 -12.876 -1.530 -2.731 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.868 0.672 -4.347 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.290 -1.260 -3.930 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.073 -1.109 -2.198 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.816 1.213 -4.194 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.684 0.161 -5.049 1.00 0.65 H new ATOM 132 N MET A 256 -13.515 2.551 -2.790 1.00 0.41 N ATOM 133 CA MET A 256 -13.333 3.698 -1.908 1.00 0.41 C ATOM 134 C MET A 256 -14.640 4.456 -1.715 1.00 0.44 C ATOM 135 O MET A 256 -14.654 5.593 -1.244 1.00 0.49 O ATOM 136 CB MET A 256 -12.256 4.629 -2.462 1.00 0.43 C ATOM 137 CG MET A 256 -10.842 4.087 -2.304 1.00 0.45 C ATOM 138 SD MET A 256 -10.399 3.788 -0.581 1.00 0.56 S ATOM 139 CE MET A 256 -10.326 5.466 0.042 1.00 0.63 C ATOM 0 H MET A 256 -13.508 2.780 -3.784 1.00 0.41 H new ATOM 0 HA MET A 256 -13.011 3.327 -0.935 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.451 4.808 -3.519 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.325 5.592 -1.957 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.749 3.157 -2.865 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.136 4.794 -2.739 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.829 5.473 1.012 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.768 6.089 -0.656 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.337 5.858 0.150 1.00 0.63 H new ATOM 149 N GLU A 257 -15.739 3.823 -2.091 1.00 0.46 N ATOM 150 CA GLU A 257 -17.051 4.425 -1.938 1.00 0.51 C ATOM 151 C GLU A 257 -17.620 4.082 -0.567 1.00 0.49 C ATOM 152 O GLU A 257 -18.104 4.953 0.156 1.00 0.56 O ATOM 153 CB GLU A 257 -17.988 3.955 -3.050 1.00 0.56 C ATOM 154 CG GLU A 257 -17.761 4.673 -4.370 1.00 0.67 C ATOM 155 CD GLU A 257 -18.015 6.162 -4.266 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.124 6.550 -3.840 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.114 6.952 -4.616 1.00 1.27 O ATOM 0 H GLU A 257 -15.747 2.891 -2.505 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.956 5.508 -2.014 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.855 2.884 -3.199 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.020 4.107 -2.734 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.736 4.504 -4.701 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.416 4.247 -5.130 1.00 0.67 H new ATOM 164 N ARG A 258 -17.542 2.807 -0.211 1.00 0.45 N ATOM 165 CA ARG A 258 -18.026 2.338 1.081 1.00 0.45 C ATOM 166 C ARG A 258 -16.958 2.553 2.149 1.00 0.43 C ATOM 167 O ARG A 258 -17.253 2.614 3.342 1.00 0.63 O ATOM 168 CB ARG A 258 -18.400 0.855 1.004 1.00 0.48 C ATOM 169 CG ARG A 258 -19.043 0.325 2.278 1.00 0.56 C ATOM 170 CD ARG A 258 -19.293 -1.174 2.206 1.00 0.64 C ATOM 171 NE ARG A 258 -19.865 -1.684 3.455 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.199 -2.961 3.665 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.015 -3.874 2.717 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.718 -3.327 4.829 1.00 1.06 N ATOM 0 H ARG A 258 -17.146 2.076 -0.802 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.915 2.909 1.348 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.086 0.704 0.170 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.504 0.273 0.789 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.398 0.545 3.129 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -19.987 0.843 2.451 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -19.969 -1.392 1.379 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.356 -1.690 1.996 1.00 0.64 H new ATOM 0 HE ARG A 258 -20.018 -1.021 4.214 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -19.615 -3.603 1.819 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -20.273 -4.846 2.888 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.862 -2.634 5.564 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.973 -4.301 4.990 1.00 1.06 H new ATOM 188 N HIS A 259 -15.709 2.673 1.712 1.00 0.37 N ATOM 189 CA HIS A 259 -14.592 2.878 2.628 1.00 0.35 C ATOM 190 C HIS A 259 -14.024 4.275 2.445 1.00 0.40 C ATOM 191 O HIS A 259 -14.231 4.897 1.411 1.00 0.63 O ATOM 192 CB HIS A 259 -13.492 1.840 2.387 1.00 0.38 C ATOM 193 CG HIS A 259 -13.958 0.422 2.491 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.193 -0.374 1.390 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.228 -0.345 3.572 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.587 -1.568 1.792 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.617 -1.576 3.110 1.00 0.75 N ATOM 0 H HIS A 259 -15.444 2.632 0.728 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.960 2.764 3.648 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.067 2.000 1.396 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.690 2.002 3.108 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.080 -0.086 0.418 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.151 -0.044 4.606 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.842 -2.398 1.150 1.00 0.76 H new ATOM 206 N HIS A 260 -13.319 4.772 3.447 1.00 0.36 N ATOM 207 CA HIS A 260 -12.727 6.103 3.365 1.00 0.42 C ATOM 208 C HIS A 260 -11.244 6.048 3.710 1.00 0.35 C ATOM 209 O HIS A 260 -10.614 7.075 3.953 1.00 0.42 O ATOM 210 CB HIS A 260 -13.442 7.077 4.309 1.00 0.56 C ATOM 211 CG HIS A 260 -14.821 7.451 3.861 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.073 8.451 2.948 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.030 6.954 4.213 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.376 8.548 2.752 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.978 7.652 3.511 1.00 1.01 N ATOM 0 H HIS A 260 -13.141 4.280 4.323 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.842 6.460 2.342 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.501 6.629 5.301 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.843 7.983 4.403 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.214 6.155 4.917 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -16.865 9.242 2.085 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.986 7.503 3.566 1.00 1.01 H new ATOM 224 N PHE A 261 -10.691 4.842 3.716 1.00 0.30 N ATOM 225 CA PHE A 261 -9.286 4.643 4.044 1.00 0.25 C ATOM 226 C PHE A 261 -8.838 3.252 3.613 1.00 0.21 C ATOM 227 O PHE A 261 -9.671 2.408 3.269 1.00 0.22 O ATOM 228 CB PHE A 261 -9.054 4.835 5.552 1.00 0.28 C ATOM 229 CG PHE A 261 -9.767 3.831 6.426 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.146 3.870 6.576 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.054 2.853 7.103 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.796 2.954 7.379 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.699 1.936 7.909 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.071 1.986 8.048 1.00 0.52 C ATOM 0 H PHE A 261 -11.197 3.984 3.496 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.695 5.384 3.506 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.984 4.778 5.753 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.378 5.837 5.832 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.718 4.626 6.058 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.980 2.808 6.998 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.870 2.994 7.484 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.130 1.180 8.430 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.577 1.270 8.678 1.00 0.52 H new ATOM 244 N LEU A 262 -7.535 3.014 3.643 1.00 0.17 N ATOM 245 CA LEU A 262 -6.983 1.726 3.252 1.00 0.14 C ATOM 246 C LEU A 262 -7.096 0.732 4.402 1.00 0.12 C ATOM 247 O LEU A 262 -7.716 -0.325 4.265 1.00 0.14 O ATOM 248 CB LEU A 262 -5.522 1.881 2.806 1.00 0.14 C ATOM 249 CG LEU A 262 -5.316 2.261 1.333 1.00 0.19 C ATOM 250 CD1 LEU A 262 -3.910 1.894 0.886 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.347 1.587 0.441 1.00 0.34 C ATOM 0 H LEU A 262 -6.838 3.699 3.935 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.556 1.341 2.408 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.049 2.641 3.428 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.001 0.943 2.997 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.446 3.339 1.242 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -3.778 2.169 -0.160 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.183 2.429 1.497 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -3.760 0.820 1.001 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.175 1.876 -0.596 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.258 0.505 0.536 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.347 1.897 0.743 1.00 0.34 H new ATOM 263 N GLY A 263 -6.509 1.087 5.536 1.00 0.11 N ATOM 264 CA GLY A 263 -6.564 0.231 6.703 1.00 0.12 C ATOM 265 C GLY A 263 -5.367 -0.686 6.807 1.00 0.11 C ATOM 266 O GLY A 263 -5.497 -1.831 7.245 1.00 0.14 O ATOM 0 H GLY A 263 -5.993 1.957 5.669 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.623 0.848 7.599 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.474 -0.368 6.667 1.00 0.12 H new ATOM 270 N ILE A 264 -4.200 -0.190 6.416 1.00 0.09 N ATOM 271 CA ILE A 264 -2.984 -0.993 6.471 1.00 0.09 C ATOM 272 C ILE A 264 -1.802 -0.197 7.005 1.00 0.08 C ATOM 273 O ILE A 264 -1.778 1.037 6.948 1.00 0.11 O ATOM 274 CB ILE A 264 -2.600 -1.573 5.090 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.803 -0.529 3.988 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.405 -2.829 4.798 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.190 -0.918 2.659 1.00 0.18 C ATOM 0 H ILE A 264 -4.069 0.757 6.060 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.209 -1.814 7.152 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.544 -1.840 5.112 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.871 -0.362 3.850 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.372 0.418 4.313 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.122 -3.224 3.822 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.203 -3.577 5.565 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.468 -2.588 4.797 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.375 -0.130 1.929 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.116 -1.056 2.780 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.638 -1.848 2.310 1.00 0.18 H new ATOM 289 N SER A 265 -0.837 -0.923 7.543 1.00 0.09 N ATOM 290 CA SER A 265 0.371 -0.332 8.087 1.00 0.12 C ATOM 291 C SER A 265 1.525 -0.514 7.111 1.00 0.11 C ATOM 292 O SER A 265 1.784 -1.624 6.642 1.00 0.19 O ATOM 293 CB SER A 265 0.697 -0.988 9.422 1.00 0.20 C ATOM 294 OG SER A 265 0.085 -2.262 9.507 1.00 1.00 O ATOM 0 H SER A 265 -0.870 -1.940 7.614 1.00 0.09 H new ATOM 0 HA SER A 265 0.216 0.736 8.242 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.777 -1.088 9.532 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.351 -0.356 10.240 1.00 0.20 H new ATOM 0 HG SER A 265 0.037 -2.540 10.446 1.00 1.00 H new ATOM 300 N ILE A 266 2.212 0.574 6.811 1.00 0.10 N ATOM 301 CA ILE A 266 3.327 0.540 5.880 1.00 0.11 C ATOM 302 C ILE A 266 4.655 0.443 6.623 1.00 0.13 C ATOM 303 O ILE A 266 5.046 1.369 7.334 1.00 0.28 O ATOM 304 CB ILE A 266 3.346 1.795 4.982 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.920 2.233 4.613 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.161 1.529 3.728 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.131 1.186 3.854 1.00 0.16 C ATOM 0 H ILE A 266 2.016 1.496 7.200 1.00 0.10 H new ATOM 0 HA ILE A 266 3.195 -0.344 5.256 1.00 0.11 H new ATOM 0 HB ILE A 266 3.812 2.607 5.540 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.382 2.488 5.526 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.974 3.140 4.011 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.167 2.421 3.102 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.184 1.273 4.006 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.718 0.701 3.175 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.136 1.571 3.631 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.645 0.947 2.923 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.043 0.285 4.461 1.00 0.16 H new ATOM 319 N VAL A 267 5.335 -0.684 6.465 1.00 0.12 N ATOM 320 CA VAL A 267 6.616 -0.905 7.122 1.00 0.14 C ATOM 321 C VAL A 267 7.739 -1.019 6.092 1.00 0.14 C ATOM 322 O VAL A 267 7.759 -1.949 5.287 1.00 0.23 O ATOM 323 CB VAL A 267 6.588 -2.184 7.984 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.866 -2.317 8.798 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.370 -2.189 8.900 1.00 0.31 C ATOM 0 H VAL A 267 5.020 -1.462 5.886 1.00 0.12 H new ATOM 0 HA VAL A 267 6.802 -0.047 7.768 1.00 0.14 H new ATOM 0 HB VAL A 267 6.519 -3.041 7.314 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.823 -3.226 9.398 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.722 -2.366 8.125 1.00 0.29 H new ATOM 0 HG13 VAL A 267 7.970 -1.454 9.455 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.369 -3.099 9.499 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.406 -1.321 9.559 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.462 -2.150 8.298 1.00 0.31 H new ATOM 335 N GLY A 268 8.663 -0.071 6.120 1.00 0.17 N ATOM 336 CA GLY A 268 9.774 -0.084 5.188 1.00 0.23 C ATOM 337 C GLY A 268 10.965 -0.856 5.720 1.00 0.23 C ATOM 338 O GLY A 268 11.355 -0.687 6.878 1.00 0.37 O ATOM 0 H GLY A 268 8.664 0.711 6.774 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.449 -0.526 4.246 1.00 0.23 H new ATOM 0 HA3 GLY A 268 10.076 0.941 4.972 1.00 0.23 H new ATOM 342 N GLN A 269 11.542 -1.702 4.880 1.00 0.27 N ATOM 343 CA GLN A 269 12.693 -2.507 5.267 1.00 0.34 C ATOM 344 C GLN A 269 13.973 -1.941 4.655 1.00 0.38 C ATOM 345 O GLN A 269 13.927 -1.230 3.648 1.00 0.50 O ATOM 346 CB GLN A 269 12.501 -3.962 4.824 1.00 0.49 C ATOM 347 CG GLN A 269 13.529 -4.917 5.415 1.00 0.67 C ATOM 348 CD GLN A 269 13.392 -6.344 4.910 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.710 -7.297 5.625 1.00 1.81 O ATOM 350 NE2 GLN A 269 12.940 -6.503 3.677 1.00 1.87 N ATOM 0 H GLN A 269 11.230 -1.850 3.920 1.00 0.27 H new ATOM 0 HA GLN A 269 12.781 -2.477 6.353 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.503 -4.292 5.111 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.553 -4.012 3.736 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.529 -4.552 5.181 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.434 -4.914 6.501 1.00 0.67 H new ATOM 0 HE21 GLN A 269 12.687 -5.688 3.117 1.00 1.87 H new ATOM 0 HE22 GLN A 269 12.844 -7.440 3.286 1.00 1.87 H new ATOM 446 N GLY A 277 12.196 -1.731 0.423 1.00 0.30 N ATOM 447 CA GLY A 277 10.819 -1.618 -0.003 1.00 0.29 C ATOM 448 C GLY A 277 9.867 -1.538 1.170 1.00 0.24 C ATOM 449 O GLY A 277 10.274 -1.711 2.322 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.704 -0.730 -0.625 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.560 -2.477 -0.622 1.00 0.29 H new ATOM 453 N ILE A 278 8.601 -1.281 0.880 1.00 0.21 N ATOM 454 CA ILE A 278 7.586 -1.173 1.917 1.00 0.19 C ATOM 455 C ILE A 278 6.688 -2.408 1.937 1.00 0.18 C ATOM 456 O ILE A 278 6.184 -2.849 0.899 1.00 0.23 O ATOM 457 CB ILE A 278 6.728 0.099 1.740 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.292 0.259 0.279 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.506 1.325 2.201 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.313 1.392 0.054 1.00 0.27 C ATOM 0 H ILE A 278 8.251 -1.143 -0.068 1.00 0.21 H new ATOM 0 HA ILE A 278 8.109 -1.103 2.871 1.00 0.19 H new ATOM 0 HB ILE A 278 5.833 0.001 2.354 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.175 0.426 -0.338 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.839 -0.673 -0.059 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.891 2.216 2.072 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.768 1.215 3.253 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.416 1.423 1.608 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.051 1.442 -1.003 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.413 1.217 0.643 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.769 2.333 0.360 1.00 0.27 H new ATOM 472 N TYR A 279 6.508 -2.970 3.123 1.00 0.15 N ATOM 473 CA TYR A 279 5.690 -4.160 3.298 1.00 0.16 C ATOM 474 C TYR A 279 4.501 -3.867 4.202 1.00 0.15 C ATOM 475 O TYR A 279 4.511 -2.900 4.966 1.00 0.18 O ATOM 476 CB TYR A 279 6.526 -5.298 3.900 1.00 0.19 C ATOM 477 CG TYR A 279 7.772 -5.635 3.113 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.918 -4.859 3.228 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.799 -6.724 2.254 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.055 -5.158 2.510 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.937 -7.031 1.532 1.00 0.57 C ATOM 482 CZ TYR A 279 10.061 -6.243 1.663 1.00 0.55 C ATOM 483 OH TYR A 279 11.197 -6.540 0.948 1.00 0.72 O ATOM 0 H TYR A 279 6.922 -2.617 3.986 1.00 0.15 H new ATOM 0 HA TYR A 279 5.321 -4.465 2.318 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.814 -5.025 4.915 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.904 -6.190 3.974 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.918 -4.007 3.891 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.919 -7.340 2.148 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.938 -4.544 2.611 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.946 -7.883 0.869 1.00 0.57 H new ATOM 0 HH TYR A 279 11.039 -7.335 0.398 1.00 0.72 H new ATOM 493 N ILE A 280 3.478 -4.701 4.101 1.00 0.16 N ATOM 494 CA ILE A 280 2.278 -4.554 4.917 1.00 0.16 C ATOM 495 C ILE A 280 2.517 -5.121 6.314 1.00 0.17 C ATOM 496 O ILE A 280 2.835 -6.298 6.460 1.00 0.21 O ATOM 497 CB ILE A 280 1.068 -5.278 4.277 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.832 -4.773 2.848 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.185 -5.091 5.126 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.587 -3.281 2.759 1.00 0.24 C ATOM 0 H ILE A 280 3.453 -5.493 3.458 1.00 0.16 H new ATOM 0 HA ILE A 280 2.054 -3.489 4.982 1.00 0.16 H new ATOM 0 HB ILE A 280 1.293 -6.344 4.233 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.697 -5.027 2.236 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.024 -5.298 2.424 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.022 -5.608 4.657 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.015 -5.503 6.121 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.414 -4.028 5.207 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.429 -3.000 1.718 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.296 -3.022 3.343 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.452 -2.746 3.152 1.00 0.24 H new ATOM 512 N GLY A 281 2.382 -4.283 7.335 1.00 0.20 N ATOM 513 CA GLY A 281 2.586 -4.738 8.701 1.00 0.23 C ATOM 514 C GLY A 281 1.401 -5.524 9.222 1.00 0.24 C ATOM 515 O GLY A 281 1.547 -6.648 9.705 1.00 0.42 O ATOM 0 H GLY A 281 2.135 -3.298 7.244 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.481 -5.359 8.746 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.762 -3.878 9.347 1.00 0.23 H new ATOM 519 N SER A 282 0.230 -4.925 9.127 1.00 0.25 N ATOM 520 CA SER A 282 -1.002 -5.546 9.574 1.00 0.29 C ATOM 521 C SER A 282 -2.186 -4.943 8.827 1.00 0.26 C ATOM 522 O SER A 282 -2.061 -3.886 8.204 1.00 0.30 O ATOM 523 CB SER A 282 -1.167 -5.369 11.088 1.00 0.35 C ATOM 524 OG SER A 282 -0.637 -4.126 11.531 1.00 0.75 O ATOM 0 H SER A 282 0.106 -3.991 8.736 1.00 0.25 H new ATOM 0 HA SER A 282 -0.962 -6.614 9.359 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.224 -5.428 11.349 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.664 -6.185 11.607 1.00 0.35 H new ATOM 0 HG SER A 282 -0.760 -4.045 12.500 1.00 0.75 H new ATOM 530 N ILE A 283 -3.324 -5.620 8.875 1.00 0.24 N ATOM 531 CA ILE A 283 -4.523 -5.138 8.205 1.00 0.23 C ATOM 532 C ILE A 283 -5.614 -4.863 9.228 1.00 0.23 C ATOM 533 O ILE A 283 -5.915 -5.712 10.069 1.00 0.30 O ATOM 534 CB ILE A 283 -5.044 -6.147 7.157 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.922 -6.533 6.191 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.222 -5.554 6.391 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.308 -7.622 5.218 1.00 0.53 C ATOM 0 H ILE A 283 -3.442 -6.504 9.370 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.258 -4.218 7.684 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.383 -7.044 7.675 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.616 -5.649 5.631 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.056 -6.862 6.766 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.579 -6.276 5.656 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.027 -5.317 7.087 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.904 -4.645 5.881 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.463 -7.843 4.565 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.585 -8.521 5.769 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.154 -7.289 4.617 1.00 0.53 H new ATOM 549 N MET A 284 -6.188 -3.673 9.166 1.00 0.20 N ATOM 550 CA MET A 284 -7.238 -3.280 10.096 1.00 0.21 C ATOM 551 C MET A 284 -8.611 -3.635 9.543 1.00 0.22 C ATOM 552 O MET A 284 -8.953 -3.257 8.418 1.00 0.23 O ATOM 553 CB MET A 284 -7.164 -1.780 10.386 1.00 0.24 C ATOM 554 CG MET A 284 -5.852 -1.343 11.013 1.00 0.35 C ATOM 555 SD MET A 284 -5.608 -2.026 12.666 1.00 0.54 S ATOM 556 CE MET A 284 -4.498 -3.391 12.322 1.00 0.74 C ATOM 0 H MET A 284 -5.945 -2.959 8.480 1.00 0.20 H new ATOM 0 HA MET A 284 -7.086 -3.827 11.026 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.312 -1.231 9.456 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.983 -1.507 11.051 1.00 0.24 H new ATOM 0 HG2 MET A 284 -5.027 -1.652 10.371 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.824 -0.255 11.066 1.00 0.35 H new ATOM 0 HE1 MET A 284 -3.944 -3.646 13.226 1.00 0.74 H new ATOM 0 HE2 MET A 284 -5.075 -4.255 11.994 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.799 -3.102 11.537 1.00 0.74 H new ATOM 566 N LYS A 285 -9.391 -4.364 10.334 1.00 0.28 N ATOM 567 CA LYS A 285 -10.730 -4.772 9.929 1.00 0.33 C ATOM 568 C LYS A 285 -11.615 -3.545 9.740 1.00 0.33 C ATOM 569 O LYS A 285 -11.712 -2.696 10.627 1.00 0.46 O ATOM 570 CB LYS A 285 -11.340 -5.710 10.974 1.00 0.43 C ATOM 571 CG LYS A 285 -12.400 -6.651 10.417 1.00 0.49 C ATOM 572 CD LYS A 285 -11.809 -7.600 9.385 1.00 0.63 C ATOM 573 CE LYS A 285 -12.721 -8.789 9.123 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.050 -8.373 8.608 1.00 1.01 N ATOM 0 H LYS A 285 -9.117 -4.685 11.263 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.662 -5.307 8.982 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.544 -6.302 11.425 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.782 -5.112 11.771 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.843 -7.225 11.231 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.203 -6.070 9.963 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.637 -7.062 8.453 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -10.839 -7.956 9.732 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.247 -9.457 8.404 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -12.851 -9.355 10.045 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -14.601 -9.216 8.348 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.557 -7.842 9.344 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -13.924 -7.770 7.770 1.00 1.01 H new ATOM 588 N GLY A 286 -12.250 -3.457 8.581 1.00 0.33 N ATOM 589 CA GLY A 286 -13.103 -2.322 8.290 1.00 0.35 C ATOM 590 C GLY A 286 -12.525 -1.459 7.186 1.00 0.30 C ATOM 591 O GLY A 286 -13.215 -0.604 6.623 1.00 0.36 O ATOM 0 H GLY A 286 -12.190 -4.151 7.836 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.092 -2.675 7.997 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.232 -1.723 9.191 1.00 0.35 H new ATOM 595 N GLY A 287 -11.253 -1.682 6.883 1.00 0.26 N ATOM 596 CA GLY A 287 -10.593 -0.929 5.838 1.00 0.24 C ATOM 597 C GLY A 287 -10.904 -1.483 4.465 1.00 0.22 C ATOM 598 O GLY A 287 -11.566 -2.514 4.339 1.00 0.24 O ATOM 0 H GLY A 287 -10.665 -2.375 7.346 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.906 0.114 5.889 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.516 -0.947 6.002 1.00 0.24 H new ATOM 602 N ALA A 288 -10.429 -0.804 3.432 1.00 0.21 N ATOM 603 CA ALA A 288 -10.666 -1.235 2.062 1.00 0.22 C ATOM 604 C ALA A 288 -9.907 -2.521 1.754 1.00 0.22 C ATOM 605 O ALA A 288 -10.426 -3.411 1.079 1.00 0.25 O ATOM 606 CB ALA A 288 -10.276 -0.135 1.085 1.00 0.24 C ATOM 0 H ALA A 288 -9.876 0.049 3.516 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.731 -1.439 1.949 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.459 -0.473 0.065 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.871 0.756 1.284 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.218 0.100 1.205 1.00 0.24 H new ATOM 612 N VAL A 289 -8.690 -2.617 2.272 1.00 0.20 N ATOM 613 CA VAL A 289 -7.854 -3.792 2.054 1.00 0.21 C ATOM 614 C VAL A 289 -8.455 -5.025 2.725 1.00 0.23 C ATOM 615 O VAL A 289 -8.406 -6.129 2.178 1.00 0.26 O ATOM 616 CB VAL A 289 -6.421 -3.569 2.584 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.541 -4.780 2.314 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.812 -2.325 1.960 1.00 0.20 C ATOM 0 H VAL A 289 -8.258 -1.894 2.848 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.809 -3.957 0.977 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.480 -3.428 3.663 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.538 -4.594 2.698 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -5.963 -5.654 2.810 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.490 -4.961 1.240 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.802 -2.182 2.344 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.775 -2.442 0.877 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.421 -1.457 2.210 1.00 0.20 H new ATOM 628 N ALA A 290 -9.051 -4.821 3.896 1.00 0.23 N ATOM 629 CA ALA A 290 -9.662 -5.909 4.656 1.00 0.27 C ATOM 630 C ALA A 290 -10.943 -6.409 3.995 1.00 0.29 C ATOM 631 O ALA A 290 -11.522 -7.413 4.414 1.00 0.37 O ATOM 632 CB ALA A 290 -9.943 -5.459 6.082 1.00 0.29 C ATOM 0 H ALA A 290 -9.124 -3.907 4.342 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.956 -6.739 4.675 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.398 -6.278 6.639 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.009 -5.169 6.563 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.624 -4.608 6.067 1.00 0.29 H new ATOM 638 N ALA A 291 -11.379 -5.712 2.958 1.00 0.29 N ATOM 639 CA ALA A 291 -12.588 -6.090 2.250 1.00 0.32 C ATOM 640 C ALA A 291 -12.276 -7.031 1.092 1.00 0.32 C ATOM 641 O ALA A 291 -13.180 -7.635 0.516 1.00 0.41 O ATOM 642 CB ALA A 291 -13.314 -4.855 1.753 1.00 0.38 C ATOM 0 H ALA A 291 -10.913 -4.883 2.589 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.237 -6.621 2.946 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.219 -5.153 1.224 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.581 -4.224 2.601 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.665 -4.299 1.077 1.00 0.38 H new ATOM 648 N ASP A 292 -10.993 -7.156 0.760 1.00 0.31 N ATOM 649 CA ASP A 292 -10.566 -8.026 -0.334 1.00 0.32 C ATOM 650 C ASP A 292 -10.237 -9.419 0.194 1.00 0.30 C ATOM 651 O ASP A 292 -11.058 -10.334 0.104 1.00 0.38 O ATOM 652 CB ASP A 292 -9.355 -7.434 -1.060 1.00 0.37 C ATOM 653 CG ASP A 292 -9.008 -8.206 -2.318 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.585 -7.904 -3.385 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.164 -9.121 -2.248 1.00 0.45 O ATOM 0 H ASP A 292 -10.232 -6.667 1.232 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.387 -8.105 -1.047 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.560 -6.395 -1.318 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.496 -7.432 -0.389 1.00 0.37 H new ATOM 660 N GLY A 293 -9.043 -9.575 0.761 1.00 0.29 N ATOM 661 CA GLY A 293 -8.650 -10.861 1.312 1.00 0.33 C ATOM 662 C GLY A 293 -7.404 -11.452 0.675 1.00 0.33 C ATOM 663 O GLY A 293 -6.778 -12.343 1.253 1.00 0.39 O ATOM 0 H GLY A 293 -8.344 -8.838 0.849 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.480 -10.749 2.383 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.475 -11.563 1.192 1.00 0.33 H new ATOM 667 N ARG A 294 -7.036 -10.978 -0.510 1.00 0.31 N ATOM 668 CA ARG A 294 -5.855 -11.500 -1.198 1.00 0.32 C ATOM 669 C ARG A 294 -4.568 -10.952 -0.586 1.00 0.30 C ATOM 670 O ARG A 294 -3.543 -11.635 -0.552 1.00 0.37 O ATOM 671 CB ARG A 294 -5.915 -11.170 -2.691 1.00 0.35 C ATOM 672 CG ARG A 294 -6.908 -12.029 -3.456 1.00 0.41 C ATOM 673 CD ARG A 294 -7.139 -11.507 -4.864 1.00 0.44 C ATOM 674 NE ARG A 294 -7.867 -10.240 -4.870 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.320 -9.645 -5.975 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.106 -10.190 -7.169 1.00 0.68 N ATOM 677 NH2 ARG A 294 -8.984 -8.504 -5.881 1.00 0.58 N ATOM 0 H ARG A 294 -7.531 -10.241 -1.012 1.00 0.31 H new ATOM 0 HA ARG A 294 -5.851 -12.583 -1.076 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.183 -10.121 -2.814 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -4.923 -11.299 -3.125 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.540 -13.054 -3.504 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -7.856 -12.055 -2.918 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.179 -11.375 -5.363 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.697 -12.247 -5.437 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.039 -9.783 -3.975 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -7.593 -11.068 -7.244 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -8.455 -9.730 -8.010 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.148 -8.083 -4.966 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -9.332 -8.046 -6.723 1.00 0.58 H new ATOM 691 N ILE A 295 -4.627 -9.718 -0.110 1.00 0.26 N ATOM 692 CA ILE A 295 -3.468 -9.087 0.509 1.00 0.25 C ATOM 693 C ILE A 295 -3.362 -9.515 1.968 1.00 0.25 C ATOM 694 O ILE A 295 -4.374 -9.622 2.662 1.00 0.29 O ATOM 695 CB ILE A 295 -3.547 -7.546 0.424 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.743 -7.106 -1.030 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.291 -6.910 1.008 1.00 0.27 C ATOM 698 CD1 ILE A 295 -3.866 -5.607 -1.203 1.00 0.37 C ATOM 0 H ILE A 295 -5.462 -9.133 -0.139 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.581 -9.411 -0.036 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.403 -7.211 1.010 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -2.902 -7.463 -1.624 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.639 -7.583 -1.427 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.367 -5.825 0.938 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.189 -7.200 2.054 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.418 -7.249 0.450 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.002 -5.373 -2.259 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.724 -5.245 -0.637 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -2.960 -5.123 -0.838 1.00 0.37 H new ATOM 710 N GLU A 296 -2.145 -9.775 2.422 1.00 0.24 N ATOM 711 CA GLU A 296 -1.914 -10.197 3.793 1.00 0.26 C ATOM 712 C GLU A 296 -0.661 -9.520 4.347 1.00 0.24 C ATOM 713 O GLU A 296 0.160 -9.006 3.584 1.00 0.22 O ATOM 714 CB GLU A 296 -1.759 -11.721 3.852 1.00 0.31 C ATOM 715 CG GLU A 296 -0.413 -12.217 3.347 1.00 0.36 C ATOM 716 CD GLU A 296 -0.344 -13.725 3.249 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.029 -14.381 4.263 1.00 0.69 O ATOM 718 OE2 GLU A 296 -0.597 -14.263 2.147 1.00 0.56 O ATOM 0 H GLU A 296 -1.299 -9.700 1.857 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.769 -9.904 4.402 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.896 -12.052 4.882 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.551 -12.181 3.261 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.216 -11.784 2.366 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.373 -11.864 4.015 1.00 0.36 H new ATOM 725 N PRO A 297 -0.513 -9.470 5.680 1.00 0.26 N ATOM 726 CA PRO A 297 0.665 -8.876 6.317 1.00 0.27 C ATOM 727 C PRO A 297 1.943 -9.574 5.863 1.00 0.27 C ATOM 728 O PRO A 297 2.086 -10.792 6.007 1.00 0.41 O ATOM 729 CB PRO A 297 0.420 -9.103 7.809 1.00 0.32 C ATOM 730 CG PRO A 297 -1.051 -9.265 7.933 1.00 0.34 C ATOM 731 CD PRO A 297 -1.483 -9.959 6.675 1.00 0.32 C ATOM 0 HA PRO A 297 0.797 -7.824 6.064 1.00 0.27 H new ATOM 0 HB2 PRO A 297 0.947 -9.988 8.166 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.776 -8.260 8.401 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.309 -9.853 8.814 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.545 -8.299 8.038 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.444 -11.043 6.778 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.506 -9.701 6.402 1.00 0.32 H new ATOM 739 N GLY A 298 2.857 -8.796 5.311 1.00 0.27 N ATOM 740 CA GLY A 298 4.103 -9.336 4.814 1.00 0.28 C ATOM 741 C GLY A 298 4.266 -9.069 3.337 1.00 0.25 C ATOM 742 O GLY A 298 5.372 -9.153 2.802 1.00 0.29 O ATOM 0 H GLY A 298 2.757 -7.787 5.197 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.937 -8.894 5.360 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.135 -10.410 4.997 1.00 0.28 H new ATOM 746 N ASP A 299 3.155 -8.748 2.680 1.00 0.22 N ATOM 747 CA ASP A 299 3.162 -8.455 1.250 1.00 0.22 C ATOM 748 C ASP A 299 3.883 -7.140 0.978 1.00 0.20 C ATOM 749 O ASP A 299 3.796 -6.199 1.771 1.00 0.21 O ATOM 750 CB ASP A 299 1.733 -8.383 0.698 1.00 0.24 C ATOM 751 CG ASP A 299 1.066 -9.743 0.593 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.780 -10.769 0.546 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.184 -9.797 0.552 1.00 0.28 O ATOM 0 H ASP A 299 2.236 -8.684 3.117 1.00 0.22 H new ATOM 0 HA ASP A 299 3.691 -9.264 0.746 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.133 -7.740 1.342 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.754 -7.918 -0.288 1.00 0.24 H new ATOM 758 N MET A 300 4.596 -7.079 -0.138 1.00 0.21 N ATOM 759 CA MET A 300 5.336 -5.878 -0.510 1.00 0.21 C ATOM 760 C MET A 300 4.576 -5.066 -1.552 1.00 0.19 C ATOM 761 O MET A 300 4.047 -5.621 -2.514 1.00 0.21 O ATOM 762 CB MET A 300 6.719 -6.257 -1.053 1.00 0.27 C ATOM 763 CG MET A 300 7.538 -5.073 -1.545 1.00 0.32 C ATOM 764 SD MET A 300 9.206 -5.538 -2.044 1.00 0.50 S ATOM 765 CE MET A 300 9.772 -4.008 -2.787 1.00 1.26 C ATOM 0 H MET A 300 4.679 -7.848 -0.803 1.00 0.21 H new ATOM 0 HA MET A 300 5.455 -5.265 0.383 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.277 -6.771 -0.270 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.594 -6.965 -1.873 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.027 -4.609 -2.389 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.595 -4.323 -0.756 1.00 0.32 H new ATOM 0 HE1 MET A 300 10.831 -3.869 -2.571 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.624 -4.051 -3.866 1.00 1.26 H new ATOM 0 HE3 MET A 300 9.205 -3.173 -2.376 1.00 1.26 H new ATOM 775 N LEU A 301 4.522 -3.756 -1.355 1.00 0.19 N ATOM 776 CA LEU A 301 3.841 -2.867 -2.285 1.00 0.19 C ATOM 777 C LEU A 301 4.797 -2.441 -3.388 1.00 0.20 C ATOM 778 O LEU A 301 5.870 -1.902 -3.110 1.00 0.24 O ATOM 779 CB LEU A 301 3.311 -1.630 -1.555 1.00 0.23 C ATOM 780 CG LEU A 301 2.091 -1.863 -0.656 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.955 -0.730 0.356 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.828 -1.981 -1.495 1.00 0.47 C ATOM 0 H LEU A 301 4.944 -3.284 -0.555 1.00 0.19 H new ATOM 0 HA LEU A 301 2.999 -3.403 -2.723 1.00 0.19 H new ATOM 0 HB2 LEU A 301 4.115 -1.217 -0.946 1.00 0.23 H new ATOM 0 HB3 LEU A 301 3.054 -0.875 -2.297 1.00 0.23 H new ATOM 0 HG LEU A 301 2.233 -2.798 -0.113 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.085 -0.909 0.987 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.850 -0.687 0.976 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.833 0.216 -0.171 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.029 -2.146 -0.842 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.680 -1.062 -2.062 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.926 -2.820 -2.184 1.00 0.47 H new ATOM 794 N LEU A 302 4.419 -2.697 -4.632 1.00 0.20 N ATOM 795 CA LEU A 302 5.257 -2.338 -5.767 1.00 0.22 C ATOM 796 C LEU A 302 4.743 -1.075 -6.443 1.00 0.22 C ATOM 797 O LEU A 302 5.406 -0.036 -6.446 1.00 0.29 O ATOM 798 CB LEU A 302 5.301 -3.480 -6.788 1.00 0.27 C ATOM 799 CG LEU A 302 5.767 -4.833 -6.252 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.678 -5.887 -7.345 1.00 0.53 C ATOM 801 CD2 LEU A 302 7.190 -4.738 -5.723 1.00 0.46 C ATOM 0 H LEU A 302 3.540 -3.151 -4.881 1.00 0.20 H new ATOM 0 HA LEU A 302 6.263 -2.154 -5.391 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.304 -3.602 -7.212 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.961 -3.187 -7.605 1.00 0.27 H new ATOM 0 HG LEU A 302 5.114 -5.124 -5.429 1.00 0.37 H new ATOM 0 HD11 LEU A 302 6.012 -6.847 -6.952 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.646 -5.973 -7.684 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.312 -5.597 -8.183 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.504 -5.711 -5.346 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.857 -4.428 -6.527 1.00 0.46 H new ATOM 0 HD23 LEU A 302 7.230 -4.006 -4.916 1.00 0.46 H new ATOM 813 N GLN A 303 3.547 -1.170 -7.007 1.00 0.21 N ATOM 814 CA GLN A 303 2.936 -0.054 -7.707 1.00 0.22 C ATOM 815 C GLN A 303 1.558 0.248 -7.137 1.00 0.21 C ATOM 816 O GLN A 303 0.775 -0.665 -6.857 1.00 0.25 O ATOM 817 CB GLN A 303 2.837 -0.380 -9.200 1.00 0.27 C ATOM 818 CG GLN A 303 2.217 0.724 -10.037 1.00 0.32 C ATOM 819 CD GLN A 303 1.888 0.274 -11.447 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.938 0.762 -12.059 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.665 -0.662 -11.972 1.00 0.73 N ATOM 0 H GLN A 303 2.978 -2.017 -6.992 1.00 0.21 H new ATOM 0 HA GLN A 303 3.558 0.831 -7.573 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.836 -0.593 -9.581 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.248 -1.289 -9.324 1.00 0.27 H new ATOM 0 HG2 GLN A 303 1.307 1.076 -9.551 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.903 1.570 -10.081 1.00 0.32 H new ATOM 0 HE21 GLN A 303 3.443 -1.041 -11.432 1.00 0.73 H new ATOM 0 HE22 GLN A 303 2.485 -1.003 -12.916 1.00 0.73 H new ATOM 830 N VAL A 304 1.273 1.527 -6.942 1.00 0.20 N ATOM 831 CA VAL A 304 -0.015 1.949 -6.414 1.00 0.21 C ATOM 832 C VAL A 304 -0.576 3.091 -7.251 1.00 0.22 C ATOM 833 O VAL A 304 -0.132 4.227 -7.127 1.00 0.26 O ATOM 834 CB VAL A 304 0.079 2.407 -4.941 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.277 2.877 -4.436 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.623 1.295 -4.057 1.00 0.27 C ATOM 0 H VAL A 304 1.918 2.292 -7.142 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.676 1.084 -6.460 1.00 0.21 H new ATOM 0 HB VAL A 304 0.773 3.246 -4.894 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.188 3.195 -3.397 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.621 3.714 -5.043 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -1.994 2.059 -4.505 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.679 1.644 -3.026 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.038 0.430 -4.112 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.619 1.013 -4.399 1.00 0.27 H new ATOM 846 N ASN A 305 -1.547 2.777 -8.099 1.00 0.27 N ATOM 847 CA ASN A 305 -2.177 3.774 -8.966 1.00 0.33 C ATOM 848 C ASN A 305 -1.155 4.432 -9.897 1.00 0.31 C ATOM 849 O ASN A 305 -0.881 5.632 -9.791 1.00 0.34 O ATOM 850 CB ASN A 305 -2.912 4.842 -8.137 1.00 0.39 C ATOM 851 CG ASN A 305 -4.310 4.411 -7.732 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.617 3.221 -7.680 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.169 5.376 -7.435 1.00 1.14 N ATOM 0 H ASN A 305 -1.920 1.834 -8.208 1.00 0.27 H new ATOM 0 HA ASN A 305 -2.909 3.252 -9.583 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.331 5.064 -7.242 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.974 5.765 -8.714 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.121 5.142 -7.152 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -4.878 6.352 -7.490 1.00 1.14 H new ATOM 860 N ASP A 306 -0.593 3.619 -10.796 1.00 0.32 N ATOM 861 CA ASP A 306 0.393 4.056 -11.801 1.00 0.35 C ATOM 862 C ASP A 306 1.791 4.278 -11.225 1.00 0.31 C ATOM 863 O ASP A 306 2.765 3.746 -11.759 1.00 0.35 O ATOM 864 CB ASP A 306 -0.066 5.316 -12.543 1.00 0.42 C ATOM 865 CG ASP A 306 -1.133 5.033 -13.577 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.087 3.963 -14.217 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.024 5.889 -13.758 1.00 1.11 O ATOM 0 H ASP A 306 -0.810 2.624 -10.851 1.00 0.32 H new ATOM 0 HA ASP A 306 0.459 3.230 -12.509 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -0.449 6.038 -11.821 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.793 5.778 -13.031 1.00 0.42 H new ATOM 872 N VAL A 307 1.900 5.051 -10.149 1.00 0.30 N ATOM 873 CA VAL A 307 3.206 5.331 -9.553 1.00 0.29 C ATOM 874 C VAL A 307 3.868 4.066 -9.016 1.00 0.25 C ATOM 875 O VAL A 307 3.293 3.334 -8.207 1.00 0.28 O ATOM 876 CB VAL A 307 3.145 6.392 -8.430 1.00 0.34 C ATOM 877 CG1 VAL A 307 3.528 7.763 -8.969 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.769 6.442 -7.791 1.00 0.53 C ATOM 0 H VAL A 307 1.111 5.491 -9.675 1.00 0.30 H new ATOM 0 HA VAL A 307 3.809 5.736 -10.365 1.00 0.29 H new ATOM 0 HB VAL A 307 3.862 6.104 -7.661 1.00 0.34 H new ATOM 0 HG11 VAL A 307 3.479 8.497 -8.164 1.00 0.71 H new ATOM 0 HG12 VAL A 307 4.542 7.727 -9.367 1.00 0.71 H new ATOM 0 HG13 VAL A 307 2.837 8.048 -9.762 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.760 7.198 -7.006 1.00 0.53 H new ATOM 0 HG22 VAL A 307 1.026 6.695 -8.547 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.532 5.469 -7.361 1.00 0.53 H new ATOM 888 N ASN A 308 5.080 3.813 -9.493 1.00 0.25 N ATOM 889 CA ASN A 308 5.854 2.646 -9.085 1.00 0.25 C ATOM 890 C ASN A 308 6.877 3.052 -8.029 1.00 0.24 C ATOM 891 O ASN A 308 7.626 4.007 -8.226 1.00 0.33 O ATOM 892 CB ASN A 308 6.562 2.038 -10.298 1.00 0.33 C ATOM 893 CG ASN A 308 7.123 0.659 -10.020 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.554 -0.110 -9.250 1.00 0.58 O ATOM 895 ND2 ASN A 308 8.243 0.336 -10.647 1.00 0.74 N ATOM 0 H ASN A 308 5.554 4.409 -10.172 1.00 0.25 H new ATOM 0 HA ASN A 308 5.182 1.900 -8.661 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.861 1.979 -11.130 1.00 0.33 H new ATOM 0 HB3 ASN A 308 7.371 2.698 -10.609 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.665 -0.581 -10.498 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.685 1.004 -11.279 1.00 0.74 H new ATOM 902 N PHE A 309 6.918 2.327 -6.919 1.00 0.22 N ATOM 903 CA PHE A 309 7.838 2.662 -5.835 1.00 0.24 C ATOM 904 C PHE A 309 8.979 1.656 -5.718 1.00 0.26 C ATOM 905 O PHE A 309 9.723 1.670 -4.739 1.00 0.30 O ATOM 906 CB PHE A 309 7.076 2.744 -4.513 1.00 0.28 C ATOM 907 CG PHE A 309 5.917 3.698 -4.549 1.00 0.26 C ATOM 908 CD1 PHE A 309 6.117 5.040 -4.838 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.628 3.256 -4.296 1.00 0.31 C ATOM 910 CE1 PHE A 309 5.053 5.919 -4.878 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.560 4.132 -4.333 1.00 0.33 C ATOM 912 CZ PHE A 309 3.774 5.466 -4.624 1.00 0.33 C ATOM 0 H PHE A 309 6.332 1.511 -6.744 1.00 0.22 H new ATOM 0 HA PHE A 309 8.280 3.631 -6.067 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.711 1.751 -4.251 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.764 3.050 -3.724 1.00 0.28 H new ATOM 0 HD1 PHE A 309 7.116 5.401 -5.034 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.456 2.215 -4.067 1.00 0.31 H new ATOM 0 HE1 PHE A 309 5.221 6.961 -5.108 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.560 3.775 -4.135 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.941 6.153 -4.653 1.00 0.33 H new ATOM 922 N GLU A 310 9.133 0.807 -6.729 1.00 0.29 N ATOM 923 CA GLU A 310 10.189 -0.209 -6.726 1.00 0.33 C ATOM 924 C GLU A 310 11.580 0.424 -6.719 1.00 0.35 C ATOM 925 O GLU A 310 12.543 -0.182 -6.248 1.00 0.47 O ATOM 926 CB GLU A 310 10.057 -1.125 -7.943 1.00 0.40 C ATOM 927 CG GLU A 310 8.842 -2.035 -7.904 1.00 0.54 C ATOM 928 CD GLU A 310 8.609 -2.732 -9.229 1.00 0.67 C ATOM 929 OE1 GLU A 310 9.174 -2.280 -10.247 1.00 1.21 O ATOM 930 OE2 GLU A 310 7.845 -3.721 -9.267 1.00 1.04 O ATOM 0 H GLU A 310 8.543 0.799 -7.561 1.00 0.29 H new ATOM 0 HA GLU A 310 10.070 -0.794 -5.814 1.00 0.33 H new ATOM 0 HB2 GLU A 310 10.010 -0.512 -8.843 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.955 -1.738 -8.022 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.974 -2.781 -7.121 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.960 -1.450 -7.642 1.00 0.54 H new ATOM 937 N ASN A 311 11.686 1.641 -7.240 1.00 0.35 N ATOM 938 CA ASN A 311 12.971 2.334 -7.305 1.00 0.41 C ATOM 939 C ASN A 311 12.964 3.612 -6.475 1.00 0.37 C ATOM 940 O ASN A 311 13.753 4.525 -6.726 1.00 0.48 O ATOM 941 CB ASN A 311 13.314 2.688 -8.757 1.00 0.54 C ATOM 942 CG ASN A 311 13.728 1.486 -9.585 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.228 0.493 -9.058 1.00 1.27 O ATOM 944 ND2 ASN A 311 13.549 1.581 -10.893 1.00 1.32 N ATOM 0 H ASN A 311 10.901 2.168 -7.623 1.00 0.35 H new ATOM 0 HA ASN A 311 13.722 1.657 -6.898 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.449 3.161 -9.223 1.00 0.54 H new ATOM 0 HB3 ASN A 311 14.121 3.421 -8.764 1.00 0.54 H new ATOM 0 HD21 ASN A 311 13.829 0.813 -11.503 1.00 1.32 H new ATOM 0 HD22 ASN A 311 13.131 2.422 -11.291 1.00 1.32 H new ATOM 951 N MET A 312 12.100 3.680 -5.476 1.00 0.30 N ATOM 952 CA MET A 312 12.014 4.871 -4.646 1.00 0.28 C ATOM 953 C MET A 312 12.255 4.547 -3.179 1.00 0.26 C ATOM 954 O MET A 312 12.082 3.408 -2.750 1.00 0.34 O ATOM 955 CB MET A 312 10.652 5.545 -4.819 1.00 0.28 C ATOM 956 CG MET A 312 10.550 6.382 -6.084 1.00 0.39 C ATOM 957 SD MET A 312 8.916 7.114 -6.319 1.00 0.37 S ATOM 958 CE MET A 312 8.794 8.164 -4.872 1.00 0.51 C ATOM 0 H MET A 312 11.454 2.933 -5.221 1.00 0.30 H new ATOM 0 HA MET A 312 12.796 5.558 -4.971 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.876 4.780 -4.834 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.457 6.180 -3.955 1.00 0.28 H new ATOM 0 HG2 MET A 312 11.296 7.176 -6.048 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.790 5.759 -6.945 1.00 0.39 H new ATOM 0 HE1 MET A 312 8.012 8.907 -5.027 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.550 7.556 -4.001 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.746 8.668 -4.707 1.00 0.51 H new ATOM 968 N SER A 313 12.676 5.559 -2.426 1.00 0.26 N ATOM 969 CA SER A 313 12.937 5.417 -1.001 1.00 0.28 C ATOM 970 C SER A 313 11.648 5.084 -0.255 1.00 0.24 C ATOM 971 O SER A 313 10.580 5.582 -0.612 1.00 0.26 O ATOM 972 CB SER A 313 13.542 6.716 -0.468 1.00 0.36 C ATOM 973 OG SER A 313 13.725 7.653 -1.524 1.00 0.97 O ATOM 0 H SER A 313 12.845 6.498 -2.787 1.00 0.26 H new ATOM 0 HA SER A 313 13.641 4.600 -0.842 1.00 0.28 H new ATOM 0 HB2 SER A 313 12.889 7.142 0.294 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.499 6.508 0.011 1.00 0.36 H new ATOM 0 HG SER A 313 13.453 8.545 -1.221 1.00 0.97 H new ATOM 979 N ASN A 314 11.756 4.250 0.775 1.00 0.26 N ATOM 980 CA ASN A 314 10.596 3.830 1.570 1.00 0.27 C ATOM 981 C ASN A 314 9.773 5.030 2.035 1.00 0.25 C ATOM 982 O ASN A 314 8.553 5.058 1.870 1.00 0.33 O ATOM 983 CB ASN A 314 11.036 3.020 2.795 1.00 0.35 C ATOM 984 CG ASN A 314 11.897 1.817 2.451 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.780 1.234 1.374 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.778 1.440 3.367 1.00 0.48 N ATOM 0 H ASN A 314 12.640 3.846 1.084 1.00 0.26 H new ATOM 0 HA ASN A 314 9.977 3.206 0.925 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.590 3.671 3.471 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.151 2.681 3.333 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.388 0.642 3.190 1.00 0.48 H new ATOM 0 HD22 ASN A 314 12.846 1.948 4.249 1.00 0.48 H new ATOM 993 N ASP A 315 10.453 6.021 2.602 1.00 0.26 N ATOM 994 CA ASP A 315 9.794 7.230 3.101 1.00 0.28 C ATOM 995 C ASP A 315 9.033 7.944 1.991 1.00 0.23 C ATOM 996 O ASP A 315 7.868 8.312 2.154 1.00 0.24 O ATOM 997 CB ASP A 315 10.825 8.190 3.705 1.00 0.37 C ATOM 998 CG ASP A 315 11.055 7.956 5.185 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.340 8.569 6.006 1.00 1.36 O ATOM 1000 OD2 ASP A 315 11.958 7.165 5.536 1.00 1.40 O ATOM 0 H ASP A 315 11.465 6.013 2.729 1.00 0.26 H new ATOM 0 HA ASP A 315 9.085 6.923 3.870 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.771 8.080 3.174 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.491 9.216 3.552 1.00 0.37 H new ATOM 1005 N ASP A 316 9.692 8.113 0.853 1.00 0.23 N ATOM 1006 CA ASP A 316 9.093 8.798 -0.288 1.00 0.24 C ATOM 1007 C ASP A 316 7.970 7.977 -0.905 1.00 0.19 C ATOM 1008 O ASP A 316 7.026 8.526 -1.468 1.00 0.20 O ATOM 1009 CB ASP A 316 10.148 9.115 -1.344 1.00 0.32 C ATOM 1010 CG ASP A 316 11.140 10.157 -0.872 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.707 11.241 -0.420 1.00 0.69 O ATOM 1012 OD2 ASP A 316 12.358 9.901 -0.952 1.00 0.88 O ATOM 0 H ASP A 316 10.644 7.785 0.694 1.00 0.23 H new ATOM 0 HA ASP A 316 8.669 9.732 0.080 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.682 8.202 -1.607 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.657 9.469 -2.250 1.00 0.32 H new ATOM 1017 N ALA A 317 8.074 6.662 -0.790 1.00 0.17 N ATOM 1018 CA ALA A 317 7.066 5.762 -1.327 1.00 0.16 C ATOM 1019 C ALA A 317 5.725 5.971 -0.636 1.00 0.14 C ATOM 1020 O ALA A 317 4.692 6.107 -1.291 1.00 0.17 O ATOM 1021 CB ALA A 317 7.519 4.315 -1.181 1.00 0.20 C ATOM 0 H ALA A 317 8.852 6.192 -0.326 1.00 0.17 H new ATOM 0 HA ALA A 317 6.939 5.985 -2.386 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.755 3.652 -1.587 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.452 4.169 -1.725 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.674 4.087 -0.126 1.00 0.20 H new ATOM 1027 N VAL A 318 5.744 6.027 0.692 1.00 0.12 N ATOM 1028 CA VAL A 318 4.513 6.221 1.449 1.00 0.12 C ATOM 1029 C VAL A 318 4.035 7.664 1.339 1.00 0.11 C ATOM 1030 O VAL A 318 2.849 7.943 1.508 1.00 0.14 O ATOM 1031 CB VAL A 318 4.651 5.838 2.937 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.305 5.400 3.497 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.689 4.744 3.123 1.00 0.21 C ATOM 0 H VAL A 318 6.587 5.942 1.260 1.00 0.12 H new ATOM 0 HA VAL A 318 3.777 5.550 1.006 1.00 0.12 H new ATOM 0 HB VAL A 318 4.987 6.717 3.486 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.418 5.133 4.548 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.589 6.217 3.405 1.00 0.18 H new ATOM 0 HG13 VAL A 318 2.943 4.536 2.940 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.767 4.492 4.181 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.390 3.859 2.561 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.656 5.094 2.761 1.00 0.21 H new ATOM 1043 N ARG A 319 4.964 8.574 1.050 1.00 0.12 N ATOM 1044 CA ARG A 319 4.635 9.989 0.894 1.00 0.16 C ATOM 1045 C ARG A 319 3.557 10.164 -0.171 1.00 0.14 C ATOM 1046 O ARG A 319 2.576 10.884 0.030 1.00 0.22 O ATOM 1047 CB ARG A 319 5.881 10.792 0.507 1.00 0.21 C ATOM 1048 CG ARG A 319 6.587 11.437 1.688 1.00 0.35 C ATOM 1049 CD ARG A 319 7.884 12.106 1.261 1.00 0.40 C ATOM 1050 NE ARG A 319 8.297 13.142 2.203 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.553 13.561 2.357 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.533 13.030 1.631 1.00 0.83 N ATOM 1053 NH2 ARG A 319 9.826 14.516 3.239 1.00 0.81 N ATOM 0 H ARG A 319 5.952 8.356 0.919 1.00 0.12 H new ATOM 0 HA ARG A 319 4.260 10.361 1.847 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.581 10.133 -0.007 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.595 11.569 -0.202 1.00 0.21 H new ATOM 0 HG2 ARG A 319 5.930 12.175 2.148 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.798 10.681 2.445 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.670 11.355 1.179 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.758 12.545 0.271 1.00 0.40 H new ATOM 0 HE ARG A 319 7.577 13.574 2.782 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.325 12.298 0.952 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.492 13.355 1.754 1.00 0.83 H new ATOM 0 HH21 ARG A 319 9.076 14.926 3.795 1.00 0.81 H new ATOM 0 HH22 ARG A 319 10.786 14.839 3.360 1.00 0.81 H new ATOM 1067 N VAL A 320 3.738 9.482 -1.297 1.00 0.10 N ATOM 1068 CA VAL A 320 2.777 9.548 -2.391 1.00 0.10 C ATOM 1069 C VAL A 320 1.553 8.692 -2.072 1.00 0.09 C ATOM 1070 O VAL A 320 0.422 9.056 -2.400 1.00 0.11 O ATOM 1071 CB VAL A 320 3.400 9.077 -3.727 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.444 9.319 -4.886 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.728 9.775 -3.975 1.00 0.17 C ATOM 0 H VAL A 320 4.540 8.878 -1.475 1.00 0.10 H new ATOM 0 HA VAL A 320 2.479 10.591 -2.501 1.00 0.10 H new ATOM 0 HB VAL A 320 3.583 8.005 -3.656 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.904 8.980 -5.814 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.520 8.767 -4.716 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.223 10.384 -4.959 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.150 9.430 -4.919 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.570 10.853 -4.020 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.418 9.543 -3.163 1.00 0.17 H new ATOM 1083 N LEU A 321 1.792 7.561 -1.412 1.00 0.08 N ATOM 1084 CA LEU A 321 0.724 6.637 -1.037 1.00 0.09 C ATOM 1085 C LEU A 321 -0.342 7.331 -0.192 1.00 0.09 C ATOM 1086 O LEU A 321 -1.531 7.252 -0.497 1.00 0.10 O ATOM 1087 CB LEU A 321 1.297 5.448 -0.257 1.00 0.11 C ATOM 1088 CG LEU A 321 0.304 4.324 0.049 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.322 3.795 -1.230 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.995 3.201 0.809 1.00 0.29 C ATOM 0 H LEU A 321 2.723 7.261 -1.124 1.00 0.08 H new ATOM 0 HA LEU A 321 0.260 6.282 -1.957 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.129 5.030 -0.824 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.705 5.816 0.684 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.492 4.729 0.674 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.024 2.997 -0.988 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.850 4.602 -1.737 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.459 3.406 -1.883 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.277 2.409 1.020 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.810 2.801 0.206 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.394 3.588 1.747 1.00 0.29 H new ATOM 1102 N ARG A 322 0.094 8.024 0.854 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.827 8.715 1.751 1.00 0.12 C ATOM 1104 C ARG A 322 -1.621 9.784 1.011 1.00 0.13 C ATOM 1105 O ARG A 322 -2.783 10.036 1.333 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.074 9.316 2.938 1.00 0.15 C ATOM 1107 CG ARG A 322 0.759 8.292 3.695 1.00 0.19 C ATOM 1108 CD ARG A 322 1.153 8.793 5.075 1.00 0.34 C ATOM 1109 NE ARG A 322 0.165 8.428 6.090 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.089 9.146 7.185 1.00 1.05 C ATOM 1111 NH1 ARG A 322 0.567 10.278 7.419 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.002 8.720 8.047 1.00 1.28 N ATOM 0 H ARG A 322 1.078 8.123 1.102 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.538 7.982 2.133 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.577 10.114 2.581 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.790 9.771 3.622 1.00 0.15 H new ATOM 0 HG2 ARG A 322 0.194 7.365 3.793 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.657 8.060 3.123 1.00 0.19 H new ATOM 0 HD2 ARG A 322 2.124 8.379 5.348 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.264 9.877 5.050 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.365 7.567 5.951 1.00 0.49 H new ATOM 0 HH11 ARG A 322 1.272 10.605 6.758 1.00 1.57 H new ATOM 0 HH12 ARG A 322 0.365 10.820 8.259 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.504 7.850 7.870 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -1.203 9.263 8.887 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.994 10.400 0.018 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.648 11.424 -0.784 1.00 0.15 C ATOM 1128 C GLU A 323 -2.808 10.811 -1.567 1.00 0.14 C ATOM 1129 O GLU A 323 -3.913 11.357 -1.601 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.645 12.057 -1.751 1.00 0.20 C ATOM 1131 CG GLU A 323 -0.212 13.456 -1.355 1.00 0.62 C ATOM 1132 CD GLU A 323 -1.335 14.463 -1.474 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.694 14.827 -2.618 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -1.861 14.896 -0.430 1.00 1.87 O ATOM 0 H GLU A 323 -0.029 10.207 -0.252 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.035 12.197 -0.120 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.236 11.419 -1.815 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.087 12.092 -2.747 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.154 13.443 -0.328 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.620 13.768 -1.986 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.545 9.660 -2.173 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.540 8.948 -2.965 1.00 0.14 C ATOM 1143 C ILE A 324 -4.676 8.410 -2.092 1.00 0.14 C ATOM 1144 O ILE A 324 -5.849 8.517 -2.454 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.895 7.772 -3.730 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.748 8.271 -4.608 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.934 7.045 -4.572 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.898 7.158 -5.180 1.00 0.29 C ATOM 0 H ILE A 324 -1.638 9.195 -2.130 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.951 9.665 -3.675 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.492 7.068 -3.001 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.158 8.862 -5.427 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.115 8.936 -4.021 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.459 6.220 -5.103 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.719 6.656 -3.924 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.368 7.738 -5.292 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.104 7.585 -5.792 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.459 6.581 -4.366 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.518 6.505 -5.794 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.328 7.848 -0.937 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.328 7.286 -0.032 1.00 0.13 C ATOM 1162 C VAL A 325 -6.233 8.378 0.542 1.00 0.16 C ATOM 1163 O VAL A 325 -7.390 8.128 0.880 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.673 6.469 1.111 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.736 5.883 2.032 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.802 5.365 0.532 1.00 0.16 C ATOM 0 H VAL A 325 -3.366 7.770 -0.607 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.943 6.605 -0.620 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.045 7.138 1.700 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.255 5.313 2.827 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.324 6.690 2.469 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.391 5.226 1.460 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.347 4.797 1.344 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.414 4.700 -0.077 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.020 5.805 -0.086 1.00 0.16 H new ATOM 1176 N SER A 326 -5.716 9.596 0.628 1.00 0.19 N ATOM 1177 CA SER A 326 -6.499 10.710 1.145 1.00 0.24 C ATOM 1178 C SER A 326 -7.312 11.358 0.024 1.00 0.27 C ATOM 1179 O SER A 326 -8.096 12.283 0.254 1.00 0.44 O ATOM 1180 CB SER A 326 -5.581 11.736 1.813 1.00 0.32 C ATOM 1181 OG SER A 326 -4.737 11.109 2.765 1.00 0.37 O ATOM 0 H SER A 326 -4.765 9.837 0.349 1.00 0.19 H new ATOM 0 HA SER A 326 -7.195 10.331 1.894 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.976 12.236 1.057 1.00 0.32 H new ATOM 0 HB3 SER A 326 -6.181 12.504 2.301 1.00 0.32 H new ATOM 0 HG SER A 326 -3.888 10.866 2.340 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.136 10.846 -1.186 1.00 0.27 N ATOM 1188 CA GLN A 327 -7.839 11.361 -2.349 1.00 0.32 C ATOM 1189 C GLN A 327 -9.060 10.500 -2.657 1.00 0.34 C ATOM 1190 O GLN A 327 -9.179 9.380 -2.159 1.00 0.53 O ATOM 1191 CB GLN A 327 -6.901 11.388 -3.554 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.857 12.731 -4.266 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.414 13.870 -3.365 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.879 15.000 -3.512 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.501 13.591 -2.443 1.00 0.94 N ATOM 0 H GLN A 327 -6.507 10.069 -1.387 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.174 12.376 -2.134 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -5.895 11.128 -3.226 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.213 10.621 -4.263 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.178 12.663 -5.116 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.846 12.956 -4.666 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -5.141 12.641 -2.353 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -5.160 14.327 -1.824 1.00 0.94 H new ATOM 1204 N THR A 328 -9.965 11.027 -3.467 1.00 0.42 N ATOM 1205 CA THR A 328 -11.169 10.305 -3.842 1.00 0.49 C ATOM 1206 C THR A 328 -10.945 9.503 -5.120 1.00 0.51 C ATOM 1207 O THR A 328 -10.221 9.937 -6.018 1.00 0.84 O ATOM 1208 CB THR A 328 -12.341 11.280 -4.047 1.00 0.66 C ATOM 1209 OG1 THR A 328 -11.835 12.598 -4.304 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.247 11.307 -2.827 1.00 0.89 C ATOM 0 H THR A 328 -9.887 11.957 -3.879 1.00 0.42 H new ATOM 0 HA THR A 328 -11.412 9.618 -3.032 1.00 0.49 H new ATOM 0 HB THR A 328 -12.926 10.939 -4.901 1.00 0.66 H new ATOM 0 HG1 THR A 328 -12.584 13.216 -4.436 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.067 12.004 -2.998 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.649 10.309 -2.650 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.675 11.627 -1.956 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.562 8.334 -5.202 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.407 7.499 -6.371 1.00 0.44 C ATOM 1220 C GLY A 329 -10.909 6.116 -6.017 1.00 0.39 C ATOM 1221 O GLY A 329 -10.238 5.946 -4.995 1.00 0.43 O ATOM 0 H GLY A 329 -12.168 7.949 -4.477 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.363 7.419 -6.889 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.709 7.970 -7.063 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.235 5.105 -6.840 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.814 3.719 -6.607 1.00 0.39 C ATOM 1227 C PRO A 330 -9.295 3.562 -6.658 1.00 0.36 C ATOM 1228 O PRO A 330 -8.620 4.165 -7.501 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.485 2.940 -7.745 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.793 3.949 -8.792 1.00 0.58 C ATOM 1231 CD PRO A 330 -12.047 5.237 -8.065 1.00 0.52 C ATOM 0 HA PRO A 330 -11.100 3.365 -5.617 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.825 2.163 -8.131 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.392 2.444 -7.399 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.962 4.053 -9.490 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.665 3.652 -9.375 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.743 6.100 -8.658 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -13.104 5.366 -7.834 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.762 2.753 -5.753 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.325 2.535 -5.677 1.00 0.25 C ATOM 1241 C ILE A 331 -6.964 1.090 -6.018 1.00 0.25 C ATOM 1242 O ILE A 331 -7.608 0.149 -5.551 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.785 2.877 -4.267 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.200 4.296 -3.868 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.269 2.736 -4.221 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -6.919 4.632 -2.417 1.00 0.35 C ATOM 0 H ILE A 331 -9.304 2.236 -5.061 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.862 3.197 -6.409 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.216 2.173 -3.555 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.676 5.010 -4.504 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.266 4.420 -4.060 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -4.911 2.981 -3.221 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -4.991 1.710 -4.465 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.818 3.415 -4.944 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.240 5.653 -2.211 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.464 3.943 -1.772 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -5.850 4.542 -2.223 1.00 0.35 H new ATOM 1258 N SER A 332 -5.944 0.924 -6.850 1.00 0.28 N ATOM 1259 CA SER A 332 -5.473 -0.396 -7.239 1.00 0.31 C ATOM 1260 C SER A 332 -4.126 -0.671 -6.584 1.00 0.27 C ATOM 1261 O SER A 332 -3.191 0.123 -6.713 1.00 0.31 O ATOM 1262 CB SER A 332 -5.353 -0.484 -8.759 1.00 0.41 C ATOM 1263 OG SER A 332 -6.516 0.036 -9.385 1.00 1.09 O ATOM 0 H SER A 332 -5.424 1.695 -7.270 1.00 0.28 H new ATOM 0 HA SER A 332 -6.190 -1.146 -6.905 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.476 0.071 -9.092 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.206 -1.522 -9.058 1.00 0.41 H new ATOM 0 HG SER A 332 -6.420 -0.027 -10.358 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.023 -1.789 -5.877 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.788 -2.132 -5.190 1.00 0.26 C ATOM 1271 C LEU A 333 -2.090 -3.325 -5.829 1.00 0.26 C ATOM 1272 O LEU A 333 -2.641 -4.426 -5.881 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.052 -2.442 -3.712 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.705 -1.319 -2.899 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -3.805 -1.713 -1.433 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.922 -0.026 -3.040 1.00 0.39 C ATOM 0 H LEU A 333 -4.775 -2.469 -5.765 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.135 -1.263 -5.273 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.690 -3.324 -3.654 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.104 -2.702 -3.240 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.710 -1.158 -3.289 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.271 -0.904 -0.870 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.409 -2.616 -1.339 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -2.807 -1.902 -1.038 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.404 0.757 -2.454 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.905 -0.175 -2.678 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.894 0.270 -4.089 1.00 0.39 H new ATOM 1288 N THR A 334 -0.881 -3.094 -6.321 1.00 0.24 N ATOM 1289 CA THR A 334 -0.078 -4.146 -6.920 1.00 0.26 C ATOM 1290 C THR A 334 0.928 -4.644 -5.887 1.00 0.26 C ATOM 1291 O THR A 334 1.954 -4.000 -5.643 1.00 0.28 O ATOM 1292 CB THR A 334 0.659 -3.643 -8.180 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.293 -3.173 -9.146 1.00 0.50 O ATOM 1294 CG2 THR A 334 1.509 -4.741 -8.800 1.00 0.42 C ATOM 0 H THR A 334 -0.433 -2.178 -6.316 1.00 0.24 H new ATOM 0 HA THR A 334 -0.735 -4.960 -7.227 1.00 0.26 H new ATOM 0 HB THR A 334 1.317 -2.828 -7.880 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.761 -3.937 -9.543 1.00 0.50 H new ATOM 0 HG21 THR A 334 2.014 -4.354 -9.685 1.00 0.42 H new ATOM 0 HG22 THR A 334 2.251 -5.079 -8.077 1.00 0.42 H new ATOM 0 HG23 THR A 334 0.871 -5.578 -9.083 1.00 0.42 H new ATOM 1302 N VAL A 335 0.620 -5.773 -5.263 1.00 0.26 N ATOM 1303 CA VAL A 335 1.480 -6.331 -4.230 1.00 0.28 C ATOM 1304 C VAL A 335 2.264 -7.535 -4.730 1.00 0.28 C ATOM 1305 O VAL A 335 1.856 -8.219 -5.673 1.00 0.32 O ATOM 1306 CB VAL A 335 0.676 -6.740 -2.976 1.00 0.30 C ATOM 1307 CG1 VAL A 335 0.052 -5.520 -2.318 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.390 -7.771 -3.326 1.00 0.31 C ATOM 0 H VAL A 335 -0.219 -6.320 -5.455 1.00 0.26 H new ATOM 0 HA VAL A 335 2.181 -5.540 -3.963 1.00 0.28 H new ATOM 0 HB VAL A 335 1.365 -7.196 -2.265 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.510 -5.829 -1.437 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.837 -4.825 -2.022 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.620 -5.030 -3.023 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -0.942 -8.043 -2.427 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.077 -7.350 -4.060 1.00 0.31 H new ATOM 0 HG23 VAL A 335 0.086 -8.659 -3.742 1.00 0.31 H new ATOM 1318 N ALA A 336 3.391 -7.784 -4.082 1.00 0.28 N ATOM 1319 CA ALA A 336 4.252 -8.901 -4.419 1.00 0.31 C ATOM 1320 C ALA A 336 4.271 -9.908 -3.281 1.00 0.33 C ATOM 1321 O ALA A 336 4.733 -9.605 -2.178 1.00 0.38 O ATOM 1322 CB ALA A 336 5.660 -8.414 -4.724 1.00 0.34 C ATOM 0 H ALA A 336 3.733 -7.215 -3.307 1.00 0.28 H new ATOM 0 HA ALA A 336 3.859 -9.390 -5.310 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.293 -9.265 -4.975 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.631 -7.722 -5.566 1.00 0.34 H new ATOM 0 HB3 ALA A 336 6.066 -7.905 -3.850 1.00 0.34 H new ATOM 1328 N LYS A 337 3.754 -11.092 -3.549 1.00 0.36 N ATOM 1329 CA LYS A 337 3.701 -12.154 -2.559 1.00 0.40 C ATOM 1330 C LYS A 337 4.722 -13.225 -2.905 1.00 0.47 C ATOM 1331 O LYS A 337 4.471 -14.004 -3.846 1.00 0.60 O ATOM 1332 CB LYS A 337 2.296 -12.760 -2.504 1.00 0.41 C ATOM 1333 CG LYS A 337 1.192 -11.716 -2.420 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.191 -12.350 -2.419 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.406 -13.229 -1.197 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.256 -12.470 0.070 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.790 -13.262 -2.264 1.00 0.70 O ATOM 0 H LYS A 337 3.360 -11.345 -4.455 1.00 0.36 H new ATOM 0 HA LYS A 337 3.936 -11.739 -1.579 1.00 0.40 H new ATOM 0 HB2 LYS A 337 2.138 -13.375 -3.390 1.00 0.41 H new ATOM 0 HB3 LYS A 337 2.227 -13.422 -1.641 1.00 0.41 H new ATOM 0 HG2 LYS A 337 1.320 -11.124 -1.514 1.00 0.37 H new ATOM 0 HG3 LYS A 337 1.276 -11.030 -3.263 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -0.950 -11.568 -2.443 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.319 -12.946 -3.323 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.402 -13.670 -1.239 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.308 -14.052 -1.213 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -0.590 -13.052 0.865 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 0.745 -12.229 0.214 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -0.818 -11.597 0.020 1.00 0.38 H new ATOM 1369 N TRP B 2 0.879 4.713 8.134 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.471 4.146 8.173 1.00 0.13 C ATOM 1371 C TRP B 2 -1.406 4.906 7.241 1.00 0.14 C ATOM 1372 O TRP B 2 -1.266 6.118 7.071 1.00 0.23 O ATOM 1373 CB TRP B 2 -1.054 4.224 9.592 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.551 3.183 10.547 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.607 3.222 11.267 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.206 1.963 10.913 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.724 2.095 12.039 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.376 1.309 11.842 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.405 1.355 10.541 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.710 0.083 12.408 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.737 0.139 11.104 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.890 -0.488 12.028 1.00 0.39 C ATOM 0 HA TRP B 2 -0.391 3.106 7.856 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.834 5.209 10.004 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.139 4.141 9.527 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.328 4.025 11.234 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.505 1.879 12.659 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.062 1.827 9.825 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 -0.059 -0.400 13.122 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.666 -0.338 10.828 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.177 -1.441 12.447 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.338 4.190 6.627 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.334 4.799 5.753 1.00 0.11 C ATOM 1395 C VAL B 3 -4.571 3.926 5.698 1.00 0.14 C ATOM 1396 O VAL B 3 -5.680 4.468 5.510 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.846 5.069 4.310 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.486 6.531 4.141 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.677 4.185 3.918 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.432 2.701 5.880 1.00 0.27 O ATOM 0 H VAL B 3 -2.426 3.178 6.719 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.550 5.773 6.192 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.670 4.822 3.641 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.144 6.706 3.121 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.363 7.147 4.341 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.692 6.793 4.840 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.374 4.415 2.897 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.841 4.366 4.594 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -1.975 3.138 3.981 1.00 0.11 H new