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 305 ASN :FLIP amide:sc= -0.0318 F(o=-0.88,f=0.011) USER MOD Set 1.2: A 332 SER OG : rot 180:sc= 0.0428 USER MOD Set 2.1: A 279 TYR OH : rot -97:sc= 0.0423 USER MOD Set 2.2: A 300 MET CE :methyl 168:sc= 0 (180deg=-0.123) USER MOD Single : A 248 ASN : amide:sc= -0.0728 K(o=-0.073,f=-3!) USER MOD Single : A 251 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 1.1 K(o=1.1,f=-7.8!) USER MOD Single : A 256 MET CE :methyl -170:sc= 0 (180deg=-0.134) USER MOD Single : A 259 HIS : no HE2:sc= -0.457 K(o=-0.46,f=-2.4) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 265 SER OG : rot 99:sc= 0.57 USER MOD Single : A 269 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1.2!) USER MOD Single : A 282 SER OG : rot 180:sc= 0 USER MOD Single : A 284 MET CE :methyl -146:sc= -0.0662 (180deg=-0.0884) USER MOD Single : A 285 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00998) USER MOD Single : A 303 GLN :FLIP amide:sc= -0.122 F(o=-1.6!,f=-0.12) USER MOD Single : A 308 ASN : amide:sc= 0.697 K(o=0.7,f=-3.4!) USER MOD Single : A 311 ASN : amide:sc= -0.0071 K(o=-0.0071,f=-0.78) USER MOD Single : A 312 MET CE :methyl 155:sc= -0.121 (180deg=-0.743) USER MOD Single : A 313 SER OG : rot 125:sc= 1.36 USER MOD Single : A 314 ASN : amide:sc= 1.04 K(o=1,f=-1.3!) USER MOD Single : A 326 SER OG : rot 94:sc= 1.28 USER MOD Single : A 327 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.011) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 334 THR OG1 : rot 78:sc= 0.802 USER MOD Single : A 337 LYS NZ :NH3+ 178:sc= 2.07 (180deg=1.82) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.139 -13.457 -7.649 1.00 0.52 N ATOM 2 CA ASN A 248 2.700 -13.399 -7.996 1.00 0.49 C ATOM 3 C ASN A 248 2.184 -11.974 -7.840 1.00 0.44 C ATOM 4 O ASN A 248 1.958 -11.500 -6.734 1.00 0.47 O ATOM 5 CB ASN A 248 1.908 -14.365 -7.104 1.00 0.57 C ATOM 6 CG ASN A 248 0.406 -14.260 -7.295 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.269 -13.514 -6.587 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.130 -15.019 -8.233 1.00 1.26 N ATOM 0 HA ASN A 248 2.568 -13.701 -9.035 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.224 -15.386 -7.315 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.150 -14.166 -6.060 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.138 -15.000 -8.391 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.463 -15.625 -8.800 1.00 1.26 H new ATOM 17 N ILE A 249 2.009 -11.291 -8.958 1.00 0.45 N ATOM 18 CA ILE A 249 1.538 -9.913 -8.940 1.00 0.43 C ATOM 19 C ILE A 249 0.028 -9.851 -9.141 1.00 0.42 C ATOM 20 O ILE A 249 -0.505 -10.433 -10.088 1.00 0.50 O ATOM 21 CB ILE A 249 2.231 -9.067 -10.031 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.747 -9.257 -9.962 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.872 -7.595 -9.872 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.489 -8.648 -11.132 1.00 0.65 C ATOM 0 H ILE A 249 2.185 -11.666 -9.890 1.00 0.45 H new ATOM 0 HA ILE A 249 1.789 -9.502 -7.962 1.00 0.43 H new ATOM 0 HB ILE A 249 1.881 -9.403 -11.007 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.118 -8.815 -9.037 1.00 0.54 H new ATOM 0 HG13 ILE A 249 3.969 -10.323 -9.917 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.369 -7.013 -10.649 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.793 -7.472 -9.961 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.198 -7.245 -8.892 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.559 -8.822 -11.015 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.146 -9.107 -12.059 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.297 -7.575 -11.166 1.00 0.65 H new ATOM 36 N ILE A 250 -0.659 -9.157 -8.244 1.00 0.39 N ATOM 37 CA ILE A 250 -2.106 -9.018 -8.331 1.00 0.41 C ATOM 38 C ILE A 250 -2.519 -7.561 -8.150 1.00 0.37 C ATOM 39 O ILE A 250 -2.086 -6.896 -7.208 1.00 0.36 O ATOM 40 CB ILE A 250 -2.838 -9.881 -7.274 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.560 -11.367 -7.499 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.340 -9.617 -7.309 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.235 -12.272 -6.489 1.00 0.54 C ATOM 0 H ILE A 250 -0.237 -8.681 -7.447 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.394 -9.366 -9.323 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.458 -9.602 -6.291 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.893 -11.642 -8.500 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.484 -11.536 -7.463 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.835 -10.233 -6.559 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.530 -8.565 -7.097 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.730 -9.864 -8.296 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.992 -13.311 -6.712 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.884 -12.024 -5.487 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.315 -12.133 -6.540 1.00 0.54 H new ATOM 55 N THR A 251 -3.333 -7.070 -9.070 1.00 0.40 N ATOM 56 CA THR A 251 -3.834 -5.709 -9.006 1.00 0.39 C ATOM 57 C THR A 251 -5.253 -5.724 -8.447 1.00 0.40 C ATOM 58 O THR A 251 -6.182 -6.202 -9.100 1.00 0.48 O ATOM 59 CB THR A 251 -3.831 -5.050 -10.400 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.588 -5.326 -11.069 1.00 0.59 O ATOM 61 CG2 THR A 251 -4.029 -3.543 -10.293 1.00 0.47 C ATOM 0 H THR A 251 -3.663 -7.600 -9.877 1.00 0.40 H new ATOM 0 HA THR A 251 -3.181 -5.127 -8.355 1.00 0.39 H new ATOM 0 HB THR A 251 -4.658 -5.467 -10.975 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.593 -4.906 -11.955 1.00 0.59 H new ATOM 0 HG21 THR A 251 -4.023 -3.103 -11.290 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.984 -3.335 -9.811 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.222 -3.111 -9.701 1.00 0.47 H new ATOM 69 N VAL A 252 -5.410 -5.222 -7.234 1.00 0.36 N ATOM 70 CA VAL A 252 -6.709 -5.202 -6.586 1.00 0.38 C ATOM 71 C VAL A 252 -7.365 -3.829 -6.697 1.00 0.35 C ATOM 72 O VAL A 252 -6.687 -2.808 -6.845 1.00 0.39 O ATOM 73 CB VAL A 252 -6.611 -5.607 -5.093 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.889 -6.941 -4.942 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.919 -4.522 -4.275 1.00 0.40 C ATOM 0 H VAL A 252 -4.653 -4.823 -6.678 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.327 -5.934 -7.106 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.625 -5.722 -4.709 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.831 -7.206 -3.886 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.437 -7.714 -5.481 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.882 -6.858 -5.351 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.864 -4.832 -3.232 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.912 -4.363 -4.660 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.486 -3.594 -4.348 1.00 0.40 H new ATOM 85 N THR A 253 -8.685 -3.818 -6.637 1.00 0.39 N ATOM 86 CA THR A 253 -9.451 -2.589 -6.708 1.00 0.40 C ATOM 87 C THR A 253 -10.315 -2.468 -5.453 1.00 0.39 C ATOM 88 O THR A 253 -11.051 -3.393 -5.100 1.00 0.54 O ATOM 89 CB THR A 253 -10.324 -2.533 -7.989 1.00 0.50 C ATOM 90 OG1 THR A 253 -11.192 -1.394 -7.961 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.151 -3.801 -8.159 1.00 0.79 C ATOM 0 H THR A 253 -9.254 -4.659 -6.538 1.00 0.39 H new ATOM 0 HA THR A 253 -8.761 -1.747 -6.759 1.00 0.40 H new ATOM 0 HB THR A 253 -9.646 -2.448 -8.838 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.733 -1.375 -8.778 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.750 -3.726 -9.067 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.486 -4.662 -8.233 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.809 -3.924 -7.299 1.00 0.79 H new ATOM 99 N LEU A 254 -10.198 -1.347 -4.759 1.00 0.33 N ATOM 100 CA LEU A 254 -10.954 -1.141 -3.534 1.00 0.35 C ATOM 101 C LEU A 254 -11.966 -0.014 -3.686 1.00 0.35 C ATOM 102 O LEU A 254 -11.752 0.935 -4.444 1.00 0.37 O ATOM 103 CB LEU A 254 -10.002 -0.844 -2.377 1.00 0.36 C ATOM 104 CG LEU A 254 -8.898 -1.884 -2.166 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.973 -1.456 -1.044 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.490 -3.252 -1.862 1.00 0.45 C ATOM 0 H LEU A 254 -9.591 -0.570 -5.021 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.506 -2.056 -3.321 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.538 0.127 -2.548 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.584 -0.762 -1.459 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.323 -1.956 -3.089 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.195 -2.207 -0.908 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.515 -0.499 -1.295 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.544 -1.354 -0.121 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.685 -3.973 -1.716 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.094 -3.194 -0.956 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.116 -3.571 -2.695 1.00 0.45 H new ATOM 118 N ASN A 255 -13.070 -0.136 -2.966 1.00 0.40 N ATOM 119 CA ASN A 255 -14.131 0.860 -3.000 1.00 0.44 C ATOM 120 C ASN A 255 -13.953 1.854 -1.860 1.00 0.40 C ATOM 121 O ASN A 255 -13.966 1.476 -0.684 1.00 0.39 O ATOM 122 CB ASN A 255 -15.496 0.173 -2.901 1.00 0.50 C ATOM 123 CG ASN A 255 -16.648 1.156 -2.820 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.997 1.634 -1.739 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.256 1.451 -3.958 1.00 0.65 N ATOM 0 H ASN A 255 -13.256 -0.923 -2.345 1.00 0.40 H new ATOM 0 HA ASN A 255 -14.080 1.402 -3.944 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.636 -0.472 -3.768 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.511 -0.469 -2.020 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -18.046 2.097 -3.962 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.935 1.033 -4.831 1.00 0.65 H new ATOM 132 N MET A 256 -13.795 3.122 -2.208 1.00 0.41 N ATOM 133 CA MET A 256 -13.600 4.168 -1.214 1.00 0.41 C ATOM 134 C MET A 256 -14.890 4.942 -0.967 1.00 0.44 C ATOM 135 O MET A 256 -14.876 6.041 -0.414 1.00 0.49 O ATOM 136 CB MET A 256 -12.489 5.123 -1.654 1.00 0.43 C ATOM 137 CG MET A 256 -11.113 4.479 -1.694 1.00 0.45 C ATOM 138 SD MET A 256 -10.589 3.846 -0.087 1.00 0.56 S ATOM 139 CE MET A 256 -10.278 5.374 0.796 1.00 0.63 C ATOM 0 H MET A 256 -13.798 3.453 -3.173 1.00 0.41 H new ATOM 0 HA MET A 256 -13.307 3.690 -0.280 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.727 5.513 -2.644 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.463 5.974 -0.974 1.00 0.43 H new ATOM 0 HG2 MET A 256 -11.120 3.663 -2.416 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.385 5.210 -2.046 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.780 5.154 1.740 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.641 6.020 0.192 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.224 5.879 0.994 1.00 0.63 H new ATOM 149 N GLU A 257 -16.005 4.364 -1.381 1.00 0.46 N ATOM 150 CA GLU A 257 -17.300 4.994 -1.184 1.00 0.51 C ATOM 151 C GLU A 257 -17.872 4.556 0.160 1.00 0.49 C ATOM 152 O GLU A 257 -18.408 5.363 0.925 1.00 0.56 O ATOM 153 CB GLU A 257 -18.253 4.621 -2.320 1.00 0.56 C ATOM 154 CG GLU A 257 -17.654 4.823 -3.707 1.00 0.67 C ATOM 155 CD GLU A 257 -17.119 6.223 -3.918 1.00 0.86 C ATOM 156 OE1 GLU A 257 -17.907 7.186 -3.814 1.00 1.23 O ATOM 157 OE2 GLU A 257 -15.907 6.369 -4.184 1.00 1.27 O ATOM 0 H GLU A 257 -16.040 3.461 -1.855 1.00 0.46 H new ATOM 0 HA GLU A 257 -17.179 6.077 -1.187 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.548 3.578 -2.209 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.160 5.219 -2.234 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.848 4.105 -3.858 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.414 4.612 -4.460 1.00 0.67 H new ATOM 164 N ARG A 258 -17.745 3.266 0.441 1.00 0.45 N ATOM 165 CA ARG A 258 -18.222 2.705 1.698 1.00 0.45 C ATOM 166 C ARG A 258 -17.100 2.724 2.735 1.00 0.43 C ATOM 167 O ARG A 258 -17.336 2.600 3.935 1.00 0.63 O ATOM 168 CB ARG A 258 -18.728 1.274 1.477 1.00 0.48 C ATOM 169 CG ARG A 258 -19.292 0.610 2.727 1.00 0.56 C ATOM 170 CD ARG A 258 -19.822 -0.782 2.427 1.00 0.64 C ATOM 171 NE ARG A 258 -19.891 -1.619 3.627 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.262 -2.792 3.767 1.00 0.86 C ATOM 173 NH1 ARG A 258 -18.475 -3.257 2.803 1.00 1.01 N ATOM 174 NH2 ARG A 258 -19.415 -3.499 4.878 1.00 1.06 N ATOM 0 H ARG A 258 -17.314 2.587 -0.186 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.049 3.310 2.069 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.500 1.288 0.707 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.908 0.666 1.095 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.515 0.548 3.489 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.093 1.225 3.137 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.815 -0.703 1.984 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -19.180 -1.262 1.688 1.00 0.64 H new ATOM 0 HE ARG A 258 -20.456 -1.286 4.408 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -18.346 -2.719 1.946 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -18.000 -4.152 2.920 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.013 -3.149 5.627 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -18.935 -4.393 4.984 1.00 1.06 H new ATOM 188 N HIS A 259 -15.876 2.900 2.260 1.00 0.37 N ATOM 189 CA HIS A 259 -14.708 2.937 3.133 1.00 0.35 C ATOM 190 C HIS A 259 -14.080 4.323 3.101 1.00 0.40 C ATOM 191 O HIS A 259 -14.087 4.980 2.069 1.00 0.63 O ATOM 192 CB HIS A 259 -13.675 1.896 2.704 1.00 0.38 C ATOM 193 CG HIS A 259 -14.164 0.490 2.805 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.324 -0.328 1.712 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.516 -0.247 3.882 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.755 -1.509 2.110 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.880 -1.484 3.424 1.00 0.75 N ATOM 0 H HIS A 259 -15.663 3.020 1.270 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.033 2.707 4.148 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.377 2.095 1.674 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.783 2.006 3.321 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.138 -0.063 0.745 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.511 0.079 4.911 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.969 -2.352 1.470 1.00 0.76 H new ATOM 206 N HIS A 260 -13.540 4.762 4.228 1.00 0.36 N ATOM 207 CA HIS A 260 -12.929 6.087 4.307 1.00 0.42 C ATOM 208 C HIS A 260 -11.409 6.002 4.392 1.00 0.35 C ATOM 209 O HIS A 260 -10.717 7.016 4.312 1.00 0.42 O ATOM 210 CB HIS A 260 -13.472 6.851 5.516 1.00 0.56 C ATOM 211 CG HIS A 260 -14.873 7.343 5.334 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.188 8.669 5.147 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.048 6.670 5.309 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.495 8.793 5.017 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.040 7.595 5.109 1.00 1.01 N ATOM 0 H HIS A 260 -13.511 4.227 5.096 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.187 6.622 3.393 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.434 6.203 6.392 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.821 7.701 5.720 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.179 5.604 5.425 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.029 9.719 4.862 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.037 7.390 5.042 1.00 1.01 H new ATOM 224 N PHE A 261 -10.893 4.793 4.546 1.00 0.30 N ATOM 225 CA PHE A 261 -9.455 4.591 4.651 1.00 0.25 C ATOM 226 C PHE A 261 -9.060 3.213 4.136 1.00 0.21 C ATOM 227 O PHE A 261 -9.919 2.357 3.900 1.00 0.22 O ATOM 228 CB PHE A 261 -8.994 4.766 6.105 1.00 0.28 C ATOM 229 CG PHE A 261 -9.681 3.859 7.090 1.00 0.32 C ATOM 230 CD1 PHE A 261 -10.929 4.184 7.599 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.075 2.688 7.514 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.557 3.357 8.509 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.697 1.859 8.423 1.00 0.44 C ATOM 234 CZ PHE A 261 -10.940 2.192 8.921 1.00 0.52 C ATOM 0 H PHE A 261 -11.446 3.938 4.601 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.962 5.342 4.033 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.920 4.590 6.156 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.162 5.801 6.404 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.415 5.094 7.280 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.103 2.421 7.127 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.529 3.621 8.898 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.212 0.950 8.745 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.430 1.543 9.632 1.00 0.52 H new ATOM 244 N LEU A 262 -7.762 3.006 3.971 1.00 0.17 N ATOM 245 CA LEU A 262 -7.248 1.736 3.491 1.00 0.14 C ATOM 246 C LEU A 262 -7.252 0.723 4.623 1.00 0.12 C ATOM 247 O LEU A 262 -7.840 -0.356 4.506 1.00 0.14 O ATOM 248 CB LEU A 262 -5.836 1.914 2.925 1.00 0.14 C ATOM 249 CG LEU A 262 -5.761 2.251 1.432 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.376 1.947 0.892 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.810 1.485 0.641 1.00 0.34 C ATOM 0 H LEU A 262 -7.045 3.705 4.164 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.889 1.368 2.690 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.337 2.706 3.484 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.275 0.996 3.101 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.962 3.316 1.319 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.338 2.191 -0.170 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.637 2.543 1.428 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.156 0.888 1.029 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.732 1.745 -0.415 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.648 0.414 0.764 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.803 1.746 1.006 1.00 0.34 H new ATOM 263 N GLY A 263 -6.603 1.084 5.720 1.00 0.11 N ATOM 264 CA GLY A 263 -6.550 0.218 6.875 1.00 0.12 C ATOM 265 C GLY A 263 -5.347 -0.695 6.853 1.00 0.11 C ATOM 266 O GLY A 263 -5.463 -1.882 7.154 1.00 0.14 O ATOM 0 H GLY A 263 -6.109 1.970 5.829 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.526 0.825 7.780 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.458 -0.383 6.918 1.00 0.12 H new ATOM 270 N ILE A 264 -4.191 -0.150 6.504 1.00 0.09 N ATOM 271 CA ILE A 264 -2.970 -0.940 6.449 1.00 0.09 C ATOM 272 C ILE A 264 -1.778 -0.172 6.994 1.00 0.08 C ATOM 273 O ILE A 264 -1.736 1.063 6.957 1.00 0.11 O ATOM 274 CB ILE A 264 -2.634 -1.405 5.013 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.845 -0.266 4.016 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.468 -2.619 4.635 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.349 -0.579 2.621 1.00 0.18 C ATOM 0 H ILE A 264 -4.073 0.832 6.256 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.161 -1.814 7.071 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.583 -1.693 4.981 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.908 -0.028 3.969 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.335 0.625 4.382 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.217 -2.931 3.621 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.259 -3.434 5.328 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.526 -2.363 4.685 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.533 0.275 1.969 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.280 -0.788 2.653 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.877 -1.450 2.234 1.00 0.18 H new ATOM 289 N SER A 265 -0.828 -0.923 7.521 1.00 0.09 N ATOM 290 CA SER A 265 0.395 -0.361 8.055 1.00 0.12 C ATOM 291 C SER A 265 1.516 -0.589 7.055 1.00 0.11 C ATOM 292 O SER A 265 1.726 -1.714 6.597 1.00 0.19 O ATOM 293 CB SER A 265 0.742 -1.012 9.396 1.00 0.20 C ATOM 294 OG SER A 265 1.812 -0.335 10.039 1.00 1.00 O ATOM 0 H SER A 265 -0.884 -1.939 7.590 1.00 0.09 H new ATOM 0 HA SER A 265 0.262 0.708 8.222 1.00 0.12 H new ATOM 0 HB2 SER A 265 -0.135 -1.006 10.043 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.013 -2.056 9.236 1.00 0.20 H new ATOM 0 HG SER A 265 1.453 0.274 10.717 1.00 1.00 H new ATOM 300 N ILE A 266 2.230 0.468 6.712 1.00 0.10 N ATOM 301 CA ILE A 266 3.310 0.359 5.747 1.00 0.11 C ATOM 302 C ILE A 266 4.653 0.228 6.453 1.00 0.13 C ATOM 303 O ILE A 266 5.096 1.141 7.142 1.00 0.28 O ATOM 304 CB ILE A 266 3.347 1.574 4.789 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.931 2.011 4.387 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.169 1.248 3.554 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.110 0.916 3.742 1.00 0.16 C ATOM 0 H ILE A 266 2.083 1.406 7.084 1.00 0.10 H new ATOM 0 HA ILE A 266 3.122 -0.538 5.157 1.00 0.11 H new ATOM 0 HB ILE A 266 3.817 2.403 5.318 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.407 2.370 5.273 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.003 2.852 3.697 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.186 2.112 2.890 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.188 0.998 3.850 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.724 0.399 3.034 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.123 1.303 3.487 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.610 0.572 2.837 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.004 0.083 4.437 1.00 0.16 H new ATOM 319 N VAL A 267 5.284 -0.922 6.303 1.00 0.12 N ATOM 320 CA VAL A 267 6.576 -1.160 6.918 1.00 0.14 C ATOM 321 C VAL A 267 7.689 -0.911 5.910 1.00 0.14 C ATOM 322 O VAL A 267 7.807 -1.620 4.910 1.00 0.23 O ATOM 323 CB VAL A 267 6.689 -2.598 7.470 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.047 -2.831 8.119 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.569 -2.880 8.461 1.00 0.31 C ATOM 0 H VAL A 267 4.922 -1.706 5.760 1.00 0.12 H new ATOM 0 HA VAL A 267 6.675 -0.468 7.754 1.00 0.14 H new ATOM 0 HB VAL A 267 6.593 -3.288 6.632 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.098 -3.851 8.499 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.834 -2.678 7.381 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.182 -2.130 8.943 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.665 -3.898 8.839 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.632 -2.177 9.292 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.606 -2.768 7.963 1.00 0.31 H new ATOM 335 N GLY A 268 8.489 0.109 6.169 1.00 0.17 N ATOM 336 CA GLY A 268 9.585 0.434 5.282 1.00 0.23 C ATOM 337 C GLY A 268 10.850 -0.296 5.672 1.00 0.23 C ATOM 338 O GLY A 268 11.453 0.008 6.701 1.00 0.37 O ATOM 0 H GLY A 268 8.399 0.720 6.981 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.315 0.174 4.258 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.764 1.509 5.302 1.00 0.23 H new ATOM 342 N GLN A 269 11.245 -1.271 4.866 1.00 0.27 N ATOM 343 CA GLN A 269 12.442 -2.048 5.139 1.00 0.34 C ATOM 344 C GLN A 269 13.665 -1.361 4.547 1.00 0.38 C ATOM 345 O GLN A 269 13.796 -1.250 3.329 1.00 0.50 O ATOM 346 CB GLN A 269 12.297 -3.463 4.576 1.00 0.49 C ATOM 347 CG GLN A 269 13.493 -4.358 4.855 1.00 0.67 C ATOM 348 CD GLN A 269 13.175 -5.825 4.652 1.00 1.19 C ATOM 349 OE1 GLN A 269 12.048 -6.265 4.886 1.00 1.81 O ATOM 350 NE2 GLN A 269 14.161 -6.594 4.220 1.00 1.87 N ATOM 0 H GLN A 269 10.751 -1.542 4.016 1.00 0.27 H new ATOM 0 HA GLN A 269 12.574 -2.118 6.219 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.404 -3.923 4.999 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.144 -3.402 3.499 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.317 -4.074 4.201 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.830 -4.200 5.879 1.00 0.67 H new ATOM 0 HE21 GLN A 269 15.080 -6.191 4.038 1.00 1.87 H new ATOM 0 HE22 GLN A 269 14.002 -7.590 4.069 1.00 1.87 H new ATOM 446 N GLY A 277 12.102 -2.008 0.567 1.00 0.30 N ATOM 447 CA GLY A 277 10.767 -1.880 0.026 1.00 0.29 C ATOM 448 C GLY A 277 9.730 -1.682 1.109 1.00 0.24 C ATOM 449 O GLY A 277 10.048 -1.727 2.299 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.735 -1.037 -0.664 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.523 -2.773 -0.550 1.00 0.29 H new ATOM 453 N ILE A 278 8.492 -1.461 0.698 1.00 0.21 N ATOM 454 CA ILE A 278 7.402 -1.253 1.633 1.00 0.19 C ATOM 455 C ILE A 278 6.500 -2.485 1.691 1.00 0.18 C ATOM 456 O ILE A 278 5.895 -2.888 0.690 1.00 0.23 O ATOM 457 CB ILE A 278 6.574 -0.001 1.269 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.251 0.023 -0.231 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.329 1.262 1.667 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.229 1.073 -0.620 1.00 0.27 C ATOM 0 H ILE A 278 8.217 -1.421 -0.284 1.00 0.21 H new ATOM 0 HA ILE A 278 7.841 -1.090 2.617 1.00 0.19 H new ATOM 0 HB ILE A 278 5.634 -0.039 1.819 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.171 0.201 -0.788 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.882 -0.958 -0.529 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.736 2.138 1.406 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.510 1.254 2.742 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.282 1.298 1.139 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.053 1.029 -1.695 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.295 0.885 -0.091 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.604 2.061 -0.354 1.00 0.27 H new ATOM 472 N TYR A 279 6.425 -3.086 2.864 1.00 0.15 N ATOM 473 CA TYR A 279 5.620 -4.280 3.061 1.00 0.16 C ATOM 474 C TYR A 279 4.427 -3.990 3.967 1.00 0.15 C ATOM 475 O TYR A 279 4.473 -3.084 4.799 1.00 0.18 O ATOM 476 CB TYR A 279 6.473 -5.401 3.668 1.00 0.19 C ATOM 477 CG TYR A 279 7.616 -5.852 2.786 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.809 -5.142 2.741 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.503 -6.994 2.004 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.855 -5.558 1.943 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.545 -7.414 1.203 1.00 0.57 C ATOM 482 CZ TYR A 279 9.716 -6.695 1.175 1.00 0.55 C ATOM 483 OH TYR A 279 10.754 -7.114 0.380 1.00 0.72 O ATOM 0 H TYR A 279 6.914 -2.766 3.700 1.00 0.15 H new ATOM 0 HA TYR A 279 5.246 -4.600 2.088 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.876 -5.061 4.622 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.832 -6.257 3.880 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.920 -4.250 3.340 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.585 -7.562 2.023 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.777 -4.996 1.920 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.441 -8.304 0.600 1.00 0.57 H new ATOM 0 HH TYR A 279 10.613 -6.796 -0.536 1.00 0.72 H new ATOM 493 N ILE A 280 3.359 -4.756 3.791 1.00 0.16 N ATOM 494 CA ILE A 280 2.159 -4.601 4.599 1.00 0.16 C ATOM 495 C ILE A 280 2.378 -5.201 5.985 1.00 0.17 C ATOM 496 O ILE A 280 2.551 -6.411 6.125 1.00 0.21 O ATOM 497 CB ILE A 280 0.940 -5.287 3.935 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.648 -4.667 2.563 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.286 -5.193 4.836 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.278 -3.201 2.624 1.00 0.24 C ATOM 0 H ILE A 280 3.300 -5.495 3.091 1.00 0.16 H new ATOM 0 HA ILE A 280 1.954 -3.534 4.685 1.00 0.16 H new ATOM 0 HB ILE A 280 1.180 -6.340 3.790 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.525 -4.785 1.927 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.165 -5.218 2.091 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.132 -5.681 4.352 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.078 -5.686 5.786 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.526 -4.145 5.016 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.086 -2.832 1.617 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.617 -3.077 3.233 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.099 -2.637 3.067 1.00 0.24 H new ATOM 512 N GLY A 281 2.390 -4.352 6.998 1.00 0.20 N ATOM 513 CA GLY A 281 2.592 -4.817 8.356 1.00 0.23 C ATOM 514 C GLY A 281 1.378 -5.532 8.905 1.00 0.24 C ATOM 515 O GLY A 281 1.449 -6.706 9.266 1.00 0.42 O ATOM 0 H GLY A 281 2.263 -3.344 6.906 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.450 -5.489 8.384 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.831 -3.968 8.996 1.00 0.23 H new ATOM 519 N SER A 282 0.259 -4.827 8.966 1.00 0.25 N ATOM 520 CA SER A 282 -0.975 -5.395 9.479 1.00 0.29 C ATOM 521 C SER A 282 -2.178 -4.783 8.774 1.00 0.26 C ATOM 522 O SER A 282 -2.071 -3.715 8.163 1.00 0.30 O ATOM 523 CB SER A 282 -1.068 -5.154 10.987 1.00 0.35 C ATOM 524 OG SER A 282 -0.341 -3.993 11.363 1.00 0.75 O ATOM 0 H SER A 282 0.182 -3.856 8.665 1.00 0.25 H new ATOM 0 HA SER A 282 -0.974 -6.468 9.288 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.113 -5.043 11.277 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.679 -6.020 11.522 1.00 0.35 H new ATOM 0 HG SER A 282 -0.417 -3.859 12.331 1.00 0.75 H new ATOM 530 N ILE A 283 -3.313 -5.465 8.852 1.00 0.24 N ATOM 531 CA ILE A 283 -4.539 -4.991 8.228 1.00 0.23 C ATOM 532 C ILE A 283 -5.565 -4.650 9.301 1.00 0.23 C ATOM 533 O ILE A 283 -5.791 -5.435 10.225 1.00 0.30 O ATOM 534 CB ILE A 283 -5.137 -6.047 7.272 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.085 -6.504 6.259 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.360 -5.489 6.552 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.498 -7.724 5.469 1.00 0.53 C ATOM 0 H ILE A 283 -3.409 -6.353 9.344 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.292 -4.103 7.646 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.450 -6.908 7.863 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.878 -5.687 5.568 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.155 -6.719 6.785 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.766 -6.248 5.883 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.117 -5.208 7.284 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.072 -4.612 5.973 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.705 -7.991 4.771 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.677 -8.556 6.151 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.411 -7.507 4.915 1.00 0.53 H new ATOM 549 N MET A 284 -6.175 -3.483 9.184 1.00 0.20 N ATOM 550 CA MET A 284 -7.174 -3.040 10.144 1.00 0.21 C ATOM 551 C MET A 284 -8.581 -3.314 9.625 1.00 0.22 C ATOM 552 O MET A 284 -8.921 -2.945 8.499 1.00 0.23 O ATOM 553 CB MET A 284 -6.997 -1.549 10.439 1.00 0.24 C ATOM 554 CG MET A 284 -5.712 -1.225 11.184 1.00 0.35 C ATOM 555 SD MET A 284 -5.676 -1.910 12.853 1.00 0.54 S ATOM 556 CE MET A 284 -4.452 -3.207 12.669 1.00 0.74 C ATOM 0 H MET A 284 -5.995 -2.821 8.429 1.00 0.20 H new ATOM 0 HA MET A 284 -7.036 -3.601 11.068 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.012 -0.997 9.499 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.846 -1.200 11.027 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.863 -1.612 10.620 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.592 -0.143 11.238 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.716 -4.049 13.309 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.423 -3.535 11.630 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.472 -2.826 12.956 1.00 0.74 H new ATOM 566 N LYS A 285 -9.391 -3.972 10.447 1.00 0.28 N ATOM 567 CA LYS A 285 -10.761 -4.299 10.070 1.00 0.33 C ATOM 568 C LYS A 285 -11.590 -3.027 9.933 1.00 0.33 C ATOM 569 O LYS A 285 -11.546 -2.148 10.796 1.00 0.46 O ATOM 570 CB LYS A 285 -11.387 -5.234 11.109 1.00 0.43 C ATOM 571 CG LYS A 285 -12.624 -5.968 10.613 1.00 0.49 C ATOM 572 CD LYS A 285 -12.280 -6.963 9.515 1.00 0.63 C ATOM 573 CE LYS A 285 -13.475 -7.825 9.140 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.554 -7.026 8.505 1.00 1.01 N ATOM 0 H LYS A 285 -9.123 -4.289 11.378 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.746 -4.809 9.107 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.642 -5.967 11.419 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.651 -4.654 11.993 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.096 -6.491 11.445 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.350 -5.247 10.237 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.929 -6.425 8.634 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.461 -7.601 9.846 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.155 -8.612 8.457 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.863 -8.316 10.032 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.330 -7.656 8.218 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.912 -6.324 9.184 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.177 -6.537 7.668 1.00 1.01 H new ATOM 588 N GLY A 286 -12.335 -2.935 8.841 1.00 0.33 N ATOM 589 CA GLY A 286 -13.153 -1.765 8.594 1.00 0.35 C ATOM 590 C GLY A 286 -12.610 -0.939 7.449 1.00 0.30 C ATOM 591 O GLY A 286 -13.277 -0.037 6.939 1.00 0.36 O ATOM 0 H GLY A 286 -12.388 -3.653 8.119 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.173 -2.075 8.368 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.197 -1.154 9.496 1.00 0.35 H new ATOM 595 N GLY A 287 -11.384 -1.251 7.051 1.00 0.26 N ATOM 596 CA GLY A 287 -10.752 -0.543 5.962 1.00 0.24 C ATOM 597 C GLY A 287 -11.090 -1.157 4.620 1.00 0.22 C ATOM 598 O GLY A 287 -11.696 -2.229 4.557 1.00 0.24 O ATOM 0 H GLY A 287 -10.815 -1.987 7.468 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -11.068 0.500 5.974 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.671 -0.550 6.103 1.00 0.24 H new ATOM 602 N ALA A 288 -10.696 -0.481 3.552 1.00 0.21 N ATOM 603 CA ALA A 288 -10.960 -0.952 2.200 1.00 0.22 C ATOM 604 C ALA A 288 -10.203 -2.242 1.899 1.00 0.22 C ATOM 605 O ALA A 288 -10.724 -3.138 1.236 1.00 0.25 O ATOM 606 CB ALA A 288 -10.595 0.131 1.195 1.00 0.24 C ATOM 0 H ALA A 288 -10.188 0.403 3.596 1.00 0.21 H new ATOM 0 HA ALA A 288 -12.024 -1.172 2.118 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.795 -0.227 0.185 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.191 1.023 1.388 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.537 0.375 1.291 1.00 0.24 H new ATOM 612 N VAL A 289 -8.985 -2.347 2.423 1.00 0.20 N ATOM 613 CA VAL A 289 -8.149 -3.524 2.199 1.00 0.21 C ATOM 614 C VAL A 289 -8.757 -4.767 2.845 1.00 0.23 C ATOM 615 O VAL A 289 -8.681 -5.867 2.296 1.00 0.26 O ATOM 616 CB VAL A 289 -6.720 -3.311 2.749 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.852 -4.541 2.508 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.089 -2.071 2.128 1.00 0.20 C ATOM 0 H VAL A 289 -8.554 -1.630 3.007 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.096 -3.674 1.121 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.789 -3.158 3.826 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.852 -4.364 2.905 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.294 -5.402 3.009 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.788 -4.737 1.438 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.083 -1.936 2.526 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -6.037 -2.192 1.046 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.694 -1.196 2.367 1.00 0.20 H new ATOM 628 N ALA A 290 -9.390 -4.574 3.997 1.00 0.23 N ATOM 629 CA ALA A 290 -10.007 -5.672 4.733 1.00 0.27 C ATOM 630 C ALA A 290 -11.224 -6.232 4.005 1.00 0.29 C ATOM 631 O ALA A 290 -11.715 -7.308 4.343 1.00 0.37 O ATOM 632 CB ALA A 290 -10.390 -5.212 6.130 1.00 0.29 C ATOM 0 H ALA A 290 -9.490 -3.662 4.443 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.274 -6.476 4.806 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.850 -6.038 6.672 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.498 -4.881 6.662 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -11.098 -4.386 6.060 1.00 0.29 H new ATOM 638 N ALA A 291 -11.713 -5.500 3.014 1.00 0.29 N ATOM 639 CA ALA A 291 -12.869 -5.939 2.247 1.00 0.32 C ATOM 640 C ALA A 291 -12.441 -6.835 1.092 1.00 0.32 C ATOM 641 O ALA A 291 -13.227 -7.643 0.593 1.00 0.41 O ATOM 642 CB ALA A 291 -13.649 -4.747 1.722 1.00 0.38 C ATOM 0 H ALA A 291 -11.328 -4.601 2.723 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.515 -6.513 2.911 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.509 -5.098 1.151 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.992 -4.139 2.559 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.006 -4.147 1.078 1.00 0.38 H new ATOM 648 N ASP A 292 -11.191 -6.689 0.668 1.00 0.31 N ATOM 649 CA ASP A 292 -10.663 -7.488 -0.429 1.00 0.32 C ATOM 650 C ASP A 292 -10.312 -8.886 0.060 1.00 0.30 C ATOM 651 O ASP A 292 -10.957 -9.865 -0.315 1.00 0.38 O ATOM 652 CB ASP A 292 -9.436 -6.824 -1.046 1.00 0.37 C ATOM 653 CG ASP A 292 -9.039 -7.474 -2.352 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.382 -8.531 -2.312 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.393 -6.936 -3.420 1.00 0.55 O ATOM 0 H ASP A 292 -10.526 -6.026 1.067 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.433 -7.563 -1.197 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.642 -5.767 -1.215 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.603 -6.879 -0.345 1.00 0.37 H new ATOM 660 N GLY A 293 -9.287 -8.975 0.898 1.00 0.29 N ATOM 661 CA GLY A 293 -8.893 -10.258 1.441 1.00 0.33 C ATOM 662 C GLY A 293 -7.679 -10.869 0.763 1.00 0.33 C ATOM 663 O GLY A 293 -7.025 -11.744 1.336 1.00 0.39 O ATOM 0 H GLY A 293 -8.724 -8.184 1.210 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.683 -10.142 2.504 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.731 -10.950 1.356 1.00 0.33 H new ATOM 667 N ARG A 294 -7.366 -10.434 -0.454 1.00 0.31 N ATOM 668 CA ARG A 294 -6.217 -10.979 -1.172 1.00 0.32 C ATOM 669 C ARG A 294 -4.912 -10.505 -0.549 1.00 0.30 C ATOM 670 O ARG A 294 -3.950 -11.271 -0.450 1.00 0.37 O ATOM 671 CB ARG A 294 -6.264 -10.607 -2.654 1.00 0.35 C ATOM 672 CG ARG A 294 -7.235 -11.457 -3.457 1.00 0.41 C ATOM 673 CD ARG A 294 -7.424 -10.913 -4.861 1.00 0.44 C ATOM 674 NE ARG A 294 -8.140 -9.641 -4.857 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.625 -9.056 -5.950 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.425 -9.600 -7.145 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.290 -7.916 -5.849 1.00 0.58 N ATOM 0 H ARG A 294 -7.884 -9.715 -0.959 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.264 -12.065 -1.092 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.545 -9.558 -2.749 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.265 -10.709 -3.079 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.866 -12.481 -3.510 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.198 -11.491 -2.947 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.451 -10.781 -5.334 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.974 -11.638 -5.461 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.277 -9.172 -3.962 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -7.898 -10.469 -7.228 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -8.798 -9.148 -7.980 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.430 -7.487 -4.934 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -9.662 -7.467 -6.686 1.00 0.58 H new ATOM 691 N ILE A 295 -4.889 -9.251 -0.125 1.00 0.26 N ATOM 692 CA ILE A 295 -3.706 -8.683 0.503 1.00 0.25 C ATOM 693 C ILE A 295 -3.583 -9.207 1.930 1.00 0.25 C ATOM 694 O ILE A 295 -4.577 -9.288 2.653 1.00 0.29 O ATOM 695 CB ILE A 295 -3.758 -7.137 0.518 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.015 -6.604 -0.894 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.461 -6.563 1.074 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.141 -5.097 -0.964 1.00 0.37 C ATOM 0 H ILE A 295 -5.676 -8.607 -0.204 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.836 -8.984 -0.080 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.577 -6.824 1.166 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.202 -6.922 -1.546 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.929 -7.054 -1.282 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.517 -5.474 1.077 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.312 -6.921 2.093 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.625 -6.882 0.451 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.322 -4.795 -1.995 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.973 -4.772 -0.339 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.219 -4.638 -0.608 1.00 0.37 H new ATOM 710 N GLU A 296 -2.378 -9.586 2.318 1.00 0.24 N ATOM 711 CA GLU A 296 -2.133 -10.107 3.653 1.00 0.26 C ATOM 712 C GLU A 296 -0.869 -9.485 4.245 1.00 0.24 C ATOM 713 O GLU A 296 -0.052 -8.922 3.511 1.00 0.22 O ATOM 714 CB GLU A 296 -1.994 -11.635 3.598 1.00 0.31 C ATOM 715 CG GLU A 296 -0.627 -12.112 3.123 1.00 0.36 C ATOM 716 CD GLU A 296 -0.596 -13.590 2.797 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.845 -14.416 3.699 1.00 0.69 O ATOM 718 OE2 GLU A 296 -0.319 -13.935 1.630 1.00 0.56 O ATOM 0 H GLU A 296 -1.549 -9.543 1.725 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.977 -9.848 4.292 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.186 -12.044 4.590 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.759 -12.036 2.934 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.338 -11.544 2.239 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.114 -11.900 3.894 1.00 0.36 H new ATOM 725 N PRO A 297 -0.702 -9.545 5.580 1.00 0.26 N ATOM 726 CA PRO A 297 0.492 -9.017 6.241 1.00 0.27 C ATOM 727 C PRO A 297 1.752 -9.713 5.734 1.00 0.27 C ATOM 728 O PRO A 297 1.981 -10.893 6.010 1.00 0.41 O ATOM 729 CB PRO A 297 0.259 -9.330 7.724 1.00 0.32 C ATOM 730 CG PRO A 297 -1.209 -9.536 7.859 1.00 0.34 C ATOM 731 CD PRO A 297 -1.667 -10.108 6.548 1.00 0.32 C ATOM 0 HA PRO A 297 0.640 -7.954 6.050 1.00 0.27 H new ATOM 0 HB2 PRO A 297 0.810 -10.220 8.029 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.601 -8.511 8.357 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.434 -10.215 8.681 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.717 -8.596 8.074 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.643 -11.198 6.553 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.690 -9.813 6.315 1.00 0.32 H new ATOM 739 N GLY A 298 2.554 -8.984 4.979 1.00 0.27 N ATOM 740 CA GLY A 298 3.767 -9.540 4.422 1.00 0.28 C ATOM 741 C GLY A 298 3.898 -9.233 2.946 1.00 0.25 C ATOM 742 O GLY A 298 4.976 -9.374 2.368 1.00 0.29 O ATOM 0 H GLY A 298 2.385 -8.007 4.740 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.629 -9.139 4.955 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.774 -10.620 4.571 1.00 0.28 H new ATOM 746 N ASP A 299 2.792 -8.820 2.333 1.00 0.22 N ATOM 747 CA ASP A 299 2.783 -8.476 0.913 1.00 0.22 C ATOM 748 C ASP A 299 3.548 -7.180 0.680 1.00 0.20 C ATOM 749 O ASP A 299 3.584 -6.311 1.551 1.00 0.21 O ATOM 750 CB ASP A 299 1.351 -8.312 0.394 1.00 0.24 C ATOM 751 CG ASP A 299 0.593 -9.620 0.321 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.234 -10.689 0.313 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.654 -9.589 0.270 1.00 0.28 O ATOM 0 H ASP A 299 1.890 -8.715 2.797 1.00 0.22 H new ATOM 0 HA ASP A 299 3.264 -9.291 0.372 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.812 -7.622 1.044 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.380 -7.860 -0.597 1.00 0.24 H new ATOM 758 N MET A 300 4.155 -7.053 -0.490 1.00 0.21 N ATOM 759 CA MET A 300 4.910 -5.853 -0.827 1.00 0.21 C ATOM 760 C MET A 300 4.155 -5.014 -1.850 1.00 0.19 C ATOM 761 O MET A 300 3.605 -5.545 -2.817 1.00 0.21 O ATOM 762 CB MET A 300 6.297 -6.221 -1.364 1.00 0.27 C ATOM 763 CG MET A 300 7.075 -5.033 -1.914 1.00 0.32 C ATOM 764 SD MET A 300 8.859 -5.309 -1.943 1.00 0.50 S ATOM 765 CE MET A 300 8.970 -6.819 -2.902 1.00 1.26 C ATOM 0 H MET A 300 4.141 -7.764 -1.222 1.00 0.21 H new ATOM 0 HA MET A 300 5.035 -5.264 0.082 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.875 -6.684 -0.565 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.186 -6.967 -2.151 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.730 -4.817 -2.925 1.00 0.32 H new ATOM 0 HG3 MET A 300 6.859 -4.153 -1.308 1.00 0.32 H new ATOM 0 HE1 MET A 300 10.008 -6.996 -3.184 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.608 -7.656 -2.305 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.361 -6.725 -3.801 1.00 1.26 H new ATOM 775 N LEU A 301 4.122 -3.707 -1.624 1.00 0.19 N ATOM 776 CA LEU A 301 3.444 -2.789 -2.526 1.00 0.19 C ATOM 777 C LEU A 301 4.407 -2.318 -3.601 1.00 0.20 C ATOM 778 O LEU A 301 5.434 -1.714 -3.297 1.00 0.24 O ATOM 779 CB LEU A 301 2.899 -1.582 -1.761 1.00 0.23 C ATOM 780 CG LEU A 301 1.862 -1.903 -0.686 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.812 -0.792 0.349 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.492 -2.104 -1.316 1.00 0.47 C ATOM 0 H LEU A 301 4.560 -3.258 -0.819 1.00 0.19 H new ATOM 0 HA LEU A 301 2.609 -3.315 -2.989 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.735 -1.062 -1.292 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.454 -0.890 -2.476 1.00 0.23 H new ATOM 0 HG LEU A 301 2.153 -2.828 -0.187 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.069 -1.035 1.108 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.790 -0.688 0.819 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.541 0.146 -0.136 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.236 -2.332 -0.538 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.194 -1.194 -1.837 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.536 -2.930 -2.026 1.00 0.47 H new ATOM 794 N LEU A 302 4.082 -2.607 -4.850 1.00 0.20 N ATOM 795 CA LEU A 302 4.931 -2.206 -5.962 1.00 0.22 C ATOM 796 C LEU A 302 4.373 -0.965 -6.645 1.00 0.22 C ATOM 797 O LEU A 302 4.984 0.103 -6.620 1.00 0.29 O ATOM 798 CB LEU A 302 5.063 -3.338 -6.988 1.00 0.27 C ATOM 799 CG LEU A 302 5.649 -4.649 -6.459 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.820 -5.644 -7.596 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.979 -4.405 -5.760 1.00 0.46 C ATOM 0 H LEU A 302 3.240 -3.116 -5.120 1.00 0.20 H new ATOM 0 HA LEU A 302 5.918 -1.979 -5.558 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.076 -3.544 -7.403 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.688 -2.988 -7.810 1.00 0.27 H new ATOM 0 HG LEU A 302 4.955 -5.066 -5.729 1.00 0.37 H new ATOM 0 HD11 LEU A 302 6.238 -6.573 -7.207 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.851 -5.845 -8.052 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.494 -5.228 -8.345 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.376 -5.351 -5.393 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.685 -3.964 -6.464 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.830 -3.724 -4.922 1.00 0.46 H new ATOM 813 N GLN A 303 3.194 -1.110 -7.232 1.00 0.21 N ATOM 814 CA GLN A 303 2.554 -0.016 -7.940 1.00 0.22 C ATOM 815 C GLN A 303 1.196 0.305 -7.327 1.00 0.21 C ATOM 816 O GLN A 303 0.397 -0.591 -7.053 1.00 0.25 O ATOM 817 CB GLN A 303 2.404 -0.376 -9.423 1.00 0.27 C ATOM 818 CG GLN A 303 1.595 0.630 -10.227 1.00 0.32 C ATOM 819 CD GLN A 303 1.822 0.512 -11.721 1.00 0.51 C ATOM 820 OE1 GLN A 303 3.040 0.168 -12.116 1.00 0.68 O flip ATOM 821 NE2 GLN A 303 0.909 0.734 -12.520 1.00 0.73 N flip ATOM 0 H GLN A 303 2.661 -1.980 -7.231 1.00 0.21 H new ATOM 0 HA GLN A 303 3.180 0.872 -7.852 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.396 -0.466 -9.866 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.930 -1.354 -9.502 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.535 0.490 -10.014 1.00 0.32 H new ATOM 0 HG3 GLN A 303 1.854 1.638 -9.904 1.00 0.32 H new ATOM 0 HE21 GLN A 303 -0.015 0.996 -12.178 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.078 0.655 -13.523 1.00 0.73 H new ATOM 830 N VAL A 304 0.942 1.583 -7.105 1.00 0.20 N ATOM 831 CA VAL A 304 -0.318 2.016 -6.528 1.00 0.21 C ATOM 832 C VAL A 304 -0.939 3.120 -7.370 1.00 0.22 C ATOM 833 O VAL A 304 -0.490 4.260 -7.327 1.00 0.26 O ATOM 834 CB VAL A 304 -0.149 2.523 -5.082 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.495 2.926 -4.500 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.518 1.466 -4.214 1.00 0.27 C ATOM 0 H VAL A 304 1.593 2.340 -7.316 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.973 1.145 -6.513 1.00 0.21 H new ATOM 0 HB VAL A 304 0.496 3.402 -5.100 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.358 3.282 -3.479 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.930 3.721 -5.106 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.163 2.065 -4.498 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.627 1.845 -3.198 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.096 0.565 -4.201 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.501 1.229 -4.620 1.00 0.27 H new ATOM 846 N ASN A 305 -1.968 2.771 -8.128 1.00 0.27 N ATOM 847 CA ASN A 305 -2.665 3.728 -8.983 1.00 0.33 C ATOM 848 C ASN A 305 -1.712 4.381 -9.986 1.00 0.31 C ATOM 849 O ASN A 305 -1.368 5.557 -9.858 1.00 0.34 O ATOM 850 CB ASN A 305 -3.370 4.798 -8.137 1.00 0.39 C ATOM 851 CG ASN A 305 -4.338 5.643 -8.944 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.073 5.011 -9.845 1.00 1.71 O flip ATOM 853 ND2 ASN A 305 -4.438 6.855 -8.743 1.00 1.14 N flip ATOM 0 H ASN A 305 -2.344 1.824 -8.170 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.418 3.178 -9.548 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.909 4.314 -7.323 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.621 5.446 -7.682 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -3.853 7.305 -8.039 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.106 7.408 -9.281 1.00 1.14 H new ATOM 860 N ASP A 306 -1.267 3.581 -10.957 1.00 0.32 N ATOM 861 CA ASP A 306 -0.376 4.031 -12.038 1.00 0.35 C ATOM 862 C ASP A 306 1.064 4.287 -11.591 1.00 0.31 C ATOM 863 O ASP A 306 2.004 3.892 -12.287 1.00 0.35 O ATOM 864 CB ASP A 306 -0.933 5.281 -12.719 1.00 0.42 C ATOM 865 CG ASP A 306 -1.641 4.956 -14.013 1.00 0.66 C ATOM 866 OD1 ASP A 306 -2.810 4.517 -13.968 1.00 1.11 O ATOM 867 OD2 ASP A 306 -1.028 5.127 -15.084 1.00 1.06 O ATOM 0 H ASP A 306 -1.515 2.594 -11.019 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.341 3.203 -12.746 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.626 5.783 -12.044 1.00 0.42 H new ATOM 0 HB3 ASP A 306 -0.119 5.978 -12.917 1.00 0.42 H new ATOM 872 N VAL A 307 1.251 4.956 -10.461 1.00 0.30 N ATOM 873 CA VAL A 307 2.600 5.251 -9.982 1.00 0.29 C ATOM 874 C VAL A 307 3.275 4.001 -9.412 1.00 0.25 C ATOM 875 O VAL A 307 2.649 3.191 -8.722 1.00 0.28 O ATOM 876 CB VAL A 307 2.623 6.392 -8.939 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.052 7.669 -9.534 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.873 6.010 -7.675 1.00 0.53 C ATOM 0 H VAL A 307 0.499 5.302 -9.864 1.00 0.30 H new ATOM 0 HA VAL A 307 3.164 5.590 -10.851 1.00 0.29 H new ATOM 0 HB VAL A 307 3.663 6.568 -8.664 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.076 8.461 -8.786 1.00 0.71 H new ATOM 0 HG12 VAL A 307 2.648 7.966 -10.397 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.022 7.496 -9.846 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.911 6.837 -6.966 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.834 5.790 -7.921 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.335 5.129 -7.230 1.00 0.53 H new ATOM 888 N ASN A 308 4.554 3.850 -9.717 1.00 0.25 N ATOM 889 CA ASN A 308 5.332 2.702 -9.270 1.00 0.25 C ATOM 890 C ASN A 308 6.380 3.135 -8.253 1.00 0.24 C ATOM 891 O ASN A 308 7.059 4.145 -8.444 1.00 0.33 O ATOM 892 CB ASN A 308 6.006 2.033 -10.472 1.00 0.33 C ATOM 893 CG ASN A 308 6.453 0.610 -10.192 1.00 0.46 C ATOM 894 OD1 ASN A 308 5.844 -0.099 -9.395 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.513 0.178 -10.856 1.00 0.74 N ATOM 0 H ASN A 308 5.082 4.517 -10.280 1.00 0.25 H new ATOM 0 HA ASN A 308 4.663 1.986 -8.793 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.313 2.030 -11.314 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.870 2.626 -10.772 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.851 -0.774 -10.714 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.992 0.797 -11.510 1.00 0.74 H new ATOM 902 N PHE A 309 6.512 2.372 -7.175 1.00 0.22 N ATOM 903 CA PHE A 309 7.468 2.698 -6.120 1.00 0.24 C ATOM 904 C PHE A 309 8.640 1.722 -6.101 1.00 0.26 C ATOM 905 O PHE A 309 9.435 1.720 -5.163 1.00 0.30 O ATOM 906 CB PHE A 309 6.779 2.690 -4.752 1.00 0.28 C ATOM 907 CG PHE A 309 5.615 3.634 -4.649 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.779 4.989 -4.883 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.355 3.162 -4.320 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.708 5.857 -4.790 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.281 4.025 -4.228 1.00 0.33 C ATOM 912 CZ PHE A 309 3.456 5.375 -4.462 1.00 0.33 C ATOM 0 H PHE A 309 5.971 1.524 -7.007 1.00 0.22 H new ATOM 0 HA PHE A 309 7.854 3.695 -6.330 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.434 1.679 -4.536 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.511 2.947 -3.986 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.755 5.372 -5.141 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.211 2.108 -4.133 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.850 6.912 -4.974 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.303 3.644 -3.973 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.617 6.051 -4.389 1.00 0.33 H new ATOM 922 N GLU A 310 8.760 0.908 -7.143 1.00 0.29 N ATOM 923 CA GLU A 310 9.835 -0.075 -7.223 1.00 0.33 C ATOM 924 C GLU A 310 11.209 0.588 -7.262 1.00 0.35 C ATOM 925 O GLU A 310 12.199 0.008 -6.817 1.00 0.47 O ATOM 926 CB GLU A 310 9.665 -0.956 -8.457 1.00 0.40 C ATOM 927 CG GLU A 310 8.509 -1.935 -8.357 1.00 0.54 C ATOM 928 CD GLU A 310 8.470 -2.897 -9.524 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.325 -2.433 -10.676 1.00 1.04 O ATOM 930 OE2 GLU A 310 8.605 -4.116 -9.297 1.00 1.21 O ATOM 0 H GLU A 310 8.128 0.909 -7.943 1.00 0.29 H new ATOM 0 HA GLU A 310 9.775 -0.688 -6.323 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.515 -0.319 -9.329 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.587 -1.513 -8.624 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.592 -2.498 -7.427 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.570 -1.383 -8.313 1.00 0.54 H new ATOM 937 N ASN A 311 11.270 1.799 -7.801 1.00 0.35 N ATOM 938 CA ASN A 311 12.531 2.523 -7.898 1.00 0.41 C ATOM 939 C ASN A 311 12.482 3.817 -7.098 1.00 0.37 C ATOM 940 O ASN A 311 13.054 4.830 -7.502 1.00 0.48 O ATOM 941 CB ASN A 311 12.864 2.821 -9.362 1.00 0.54 C ATOM 942 CG ASN A 311 13.258 1.575 -10.131 1.00 0.89 C ATOM 943 OD1 ASN A 311 13.913 0.678 -9.595 1.00 1.27 O ATOM 944 ND2 ASN A 311 12.862 1.508 -11.392 1.00 1.32 N ATOM 0 H ASN A 311 10.464 2.299 -8.176 1.00 0.35 H new ATOM 0 HA ASN A 311 13.314 1.892 -7.478 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.001 3.283 -9.841 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.678 3.545 -9.407 1.00 0.54 H new ATOM 0 HD21 ASN A 311 13.097 0.693 -11.958 1.00 1.32 H new ATOM 0 HD22 ASN A 311 12.321 2.272 -11.798 1.00 1.32 H new ATOM 951 N MET A 312 11.804 3.783 -5.960 1.00 0.30 N ATOM 952 CA MET A 312 11.688 4.960 -5.107 1.00 0.28 C ATOM 953 C MET A 312 12.054 4.620 -3.670 1.00 0.26 C ATOM 954 O MET A 312 11.937 3.470 -3.247 1.00 0.34 O ATOM 955 CB MET A 312 10.270 5.539 -5.171 1.00 0.28 C ATOM 956 CG MET A 312 9.978 6.291 -6.461 1.00 0.39 C ATOM 957 SD MET A 312 8.287 6.912 -6.543 1.00 0.37 S ATOM 958 CE MET A 312 8.309 8.145 -5.244 1.00 0.51 C ATOM 0 H MET A 312 11.326 2.955 -5.605 1.00 0.30 H new ATOM 0 HA MET A 312 12.386 5.713 -5.474 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.550 4.728 -5.062 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.123 6.212 -4.326 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.672 7.127 -6.554 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.159 5.631 -7.309 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.546 8.897 -5.443 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.106 7.667 -4.285 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.289 8.622 -5.212 1.00 0.51 H new ATOM 968 N SER A 313 12.522 5.621 -2.938 1.00 0.26 N ATOM 969 CA SER A 313 12.913 5.451 -1.548 1.00 0.28 C ATOM 970 C SER A 313 11.704 5.113 -0.672 1.00 0.24 C ATOM 971 O SER A 313 10.582 5.532 -0.968 1.00 0.26 O ATOM 972 CB SER A 313 13.585 6.736 -1.060 1.00 0.36 C ATOM 973 OG SER A 313 13.671 7.685 -2.113 1.00 0.97 O ATOM 0 H SER A 313 12.641 6.571 -3.291 1.00 0.26 H new ATOM 0 HA SER A 313 13.613 4.619 -1.475 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.018 7.157 -0.229 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.583 6.511 -0.683 1.00 0.36 H new ATOM 0 HG SER A 313 13.250 8.524 -1.832 1.00 0.97 H new ATOM 979 N ASN A 314 11.941 4.356 0.402 1.00 0.26 N ATOM 980 CA ASN A 314 10.880 3.950 1.332 1.00 0.27 C ATOM 981 C ASN A 314 10.064 5.144 1.807 1.00 0.25 C ATOM 982 O ASN A 314 8.833 5.111 1.792 1.00 0.33 O ATOM 983 CB ASN A 314 11.472 3.230 2.547 1.00 0.35 C ATOM 984 CG ASN A 314 11.923 1.820 2.235 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.388 1.164 1.345 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.909 1.341 2.972 1.00 0.48 N ATOM 0 H ASN A 314 12.867 4.008 0.652 1.00 0.26 H new ATOM 0 HA ASN A 314 10.222 3.271 0.790 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.320 3.802 2.924 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.728 3.200 3.343 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.252 0.394 2.811 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.327 1.918 3.702 1.00 0.48 H new ATOM 993 N ASP A 315 10.760 6.200 2.220 1.00 0.26 N ATOM 994 CA ASP A 315 10.109 7.415 2.701 1.00 0.28 C ATOM 995 C ASP A 315 9.181 7.996 1.638 1.00 0.23 C ATOM 996 O ASP A 315 8.010 8.264 1.900 1.00 0.24 O ATOM 997 CB ASP A 315 11.162 8.454 3.090 1.00 0.37 C ATOM 998 CG ASP A 315 11.259 8.665 4.589 1.00 0.83 C ATOM 999 OD1 ASP A 315 11.880 7.821 5.269 1.00 1.40 O ATOM 1000 OD2 ASP A 315 10.728 9.678 5.094 1.00 1.36 O ATOM 0 H ASP A 315 11.779 6.238 2.231 1.00 0.26 H new ATOM 0 HA ASP A 315 9.512 7.157 3.576 1.00 0.28 H new ATOM 0 HB2 ASP A 315 12.134 8.139 2.709 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.923 9.403 2.609 1.00 0.37 H new ATOM 1005 N ASP A 316 9.711 8.145 0.427 1.00 0.23 N ATOM 1006 CA ASP A 316 8.958 8.710 -0.694 1.00 0.24 C ATOM 1007 C ASP A 316 7.770 7.838 -1.074 1.00 0.19 C ATOM 1008 O ASP A 316 6.706 8.351 -1.426 1.00 0.20 O ATOM 1009 CB ASP A 316 9.864 8.893 -1.913 1.00 0.32 C ATOM 1010 CG ASP A 316 10.833 10.043 -1.753 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.380 11.206 -1.683 1.00 0.69 O ATOM 1012 OD2 ASP A 316 12.056 9.792 -1.711 1.00 0.88 O ATOM 0 H ASP A 316 10.668 7.880 0.194 1.00 0.23 H new ATOM 0 HA ASP A 316 8.581 9.680 -0.370 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.423 7.974 -2.086 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.248 9.063 -2.796 1.00 0.32 H new ATOM 1017 N ALA A 317 7.957 6.526 -1.000 1.00 0.17 N ATOM 1018 CA ALA A 317 6.907 5.573 -1.347 1.00 0.16 C ATOM 1019 C ALA A 317 5.630 5.827 -0.549 1.00 0.14 C ATOM 1020 O ALA A 317 4.546 5.953 -1.119 1.00 0.17 O ATOM 1021 CB ALA A 317 7.397 4.149 -1.129 1.00 0.20 C ATOM 0 H ALA A 317 8.831 6.094 -0.701 1.00 0.17 H new ATOM 0 HA ALA A 317 6.668 5.709 -2.402 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.605 3.448 -1.391 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.268 3.964 -1.757 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.669 4.014 -0.082 1.00 0.20 H new ATOM 1027 N VAL A 318 5.760 5.928 0.769 1.00 0.12 N ATOM 1028 CA VAL A 318 4.596 6.161 1.616 1.00 0.12 C ATOM 1029 C VAL A 318 4.095 7.595 1.474 1.00 0.11 C ATOM 1030 O VAL A 318 2.899 7.850 1.606 1.00 0.14 O ATOM 1031 CB VAL A 318 4.874 5.860 3.105 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.592 5.443 3.809 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.938 4.782 3.250 1.00 0.21 C ATOM 0 H VAL A 318 6.646 5.854 1.269 1.00 0.12 H new ATOM 0 HA VAL A 318 3.827 5.469 1.273 1.00 0.12 H new ATOM 0 HB VAL A 318 5.248 6.770 3.574 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.804 5.234 4.858 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.861 6.248 3.740 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.191 4.547 3.335 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.117 4.587 4.307 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.598 3.867 2.765 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.863 5.118 2.782 1.00 0.21 H new ATOM 1043 N ARG A 319 5.010 8.525 1.194 1.00 0.12 N ATOM 1044 CA ARG A 319 4.649 9.935 1.027 1.00 0.16 C ATOM 1045 C ARG A 319 3.584 10.089 -0.052 1.00 0.14 C ATOM 1046 O ARG A 319 2.586 10.787 0.139 1.00 0.22 O ATOM 1047 CB ARG A 319 5.880 10.774 0.658 1.00 0.21 C ATOM 1048 CG ARG A 319 6.808 11.059 1.827 1.00 0.35 C ATOM 1049 CD ARG A 319 8.052 11.817 1.388 1.00 0.40 C ATOM 1050 NE ARG A 319 9.091 11.795 2.417 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.400 11.886 2.170 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.852 11.985 0.923 1.00 0.83 N ATOM 1053 NH2 ARG A 319 11.261 11.854 3.177 1.00 0.81 N ATOM 0 H ARG A 319 6.004 8.328 1.078 1.00 0.12 H new ATOM 0 HA ARG A 319 4.251 10.293 1.977 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.441 10.255 -0.119 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.547 11.721 0.233 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.276 11.639 2.581 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.101 10.120 2.296 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.441 11.377 0.469 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.787 12.850 1.160 1.00 0.40 H new ATOM 0 HE ARG A 319 8.796 11.704 3.389 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.196 11.992 0.142 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.854 12.054 0.748 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.923 11.760 4.135 1.00 0.81 H new ATOM 0 HH22 ARG A 319 12.262 11.923 2.994 1.00 0.81 H new ATOM 1067 N VAL A 320 3.798 9.423 -1.180 1.00 0.10 N ATOM 1068 CA VAL A 320 2.858 9.479 -2.291 1.00 0.10 C ATOM 1069 C VAL A 320 1.627 8.628 -1.993 1.00 0.09 C ATOM 1070 O VAL A 320 0.499 9.030 -2.280 1.00 0.11 O ATOM 1071 CB VAL A 320 3.510 9.001 -3.607 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.572 9.217 -4.786 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.833 9.716 -3.845 1.00 0.17 C ATOM 0 H VAL A 320 4.616 8.837 -1.349 1.00 0.10 H new ATOM 0 HA VAL A 320 2.558 10.520 -2.413 1.00 0.10 H new ATOM 0 HB VAL A 320 3.707 7.933 -3.516 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.053 8.873 -5.702 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.652 8.655 -4.626 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.339 10.278 -4.876 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.274 9.364 -4.777 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.660 10.790 -3.909 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.513 9.507 -3.020 1.00 0.17 H new ATOM 1083 N LEU A 321 1.853 7.458 -1.394 1.00 0.08 N ATOM 1084 CA LEU A 321 0.771 6.534 -1.051 1.00 0.09 C ATOM 1085 C LEU A 321 -0.297 7.217 -0.208 1.00 0.09 C ATOM 1086 O LEU A 321 -1.490 7.115 -0.493 1.00 0.10 O ATOM 1087 CB LEU A 321 1.319 5.329 -0.279 1.00 0.11 C ATOM 1088 CG LEU A 321 0.316 4.205 -0.016 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.279 3.697 -1.315 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.981 3.067 0.739 1.00 0.29 C ATOM 0 H LEU A 321 2.782 7.126 -1.135 1.00 0.08 H new ATOM 0 HA LEU A 321 0.322 6.200 -1.986 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.163 4.917 -0.833 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.706 5.678 0.678 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.491 4.607 0.596 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.989 2.898 -1.102 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.792 4.513 -1.824 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.516 3.314 -1.954 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.254 2.275 0.918 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.808 2.673 0.149 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.359 3.435 1.693 1.00 0.29 H new ATOM 1102 N ARG A 322 0.142 7.928 0.818 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.771 8.607 1.718 1.00 0.12 C ATOM 1104 C ARG A 322 -1.548 9.710 1.012 1.00 0.13 C ATOM 1105 O ARG A 322 -2.686 9.996 1.377 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.013 9.149 2.927 1.00 0.15 C ATOM 1107 CG ARG A 322 0.717 8.064 3.706 1.00 0.19 C ATOM 1108 CD ARG A 322 1.121 8.541 5.089 1.00 0.34 C ATOM 1109 NE ARG A 322 0.021 8.419 6.044 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.525 9.440 6.701 1.00 1.05 C ATOM 1111 NH1 ARG A 322 -0.113 10.683 6.484 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.496 9.212 7.572 1.00 1.28 N ATOM 0 H ARG A 322 1.129 8.049 1.047 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.504 7.879 2.066 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.707 9.896 2.593 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.713 9.656 3.591 1.00 0.15 H new ATOM 0 HG2 ARG A 322 0.076 7.187 3.796 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.605 7.754 3.154 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.974 7.960 5.440 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.444 9.581 5.036 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.354 7.487 6.219 1.00 0.49 H new ATOM 0 HH11 ARG A 322 0.629 10.864 5.808 1.00 1.57 H new ATOM 0 HH12 ARG A 322 -0.539 11.458 6.993 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.821 8.259 7.736 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -1.919 9.989 8.079 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.950 10.309 -0.009 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.617 11.363 -0.765 1.00 0.15 C ATOM 1128 C GLU A 323 -2.772 10.777 -1.569 1.00 0.14 C ATOM 1129 O GLU A 323 -3.853 11.363 -1.652 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.627 12.063 -1.698 1.00 0.20 C ATOM 1131 CG GLU A 323 0.372 12.948 -0.972 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.293 14.071 -0.200 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.743 15.047 -0.835 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.368 13.986 1.044 1.00 1.87 O ATOM 0 H GLU A 323 -0.009 10.085 -0.333 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.010 12.099 -0.064 1.00 0.15 H new ATOM 0 HB2 GLU A 323 -0.084 11.310 -2.269 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.182 12.668 -2.415 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.959 12.338 -0.285 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.068 13.373 -1.696 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.537 9.603 -2.142 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.544 8.917 -2.939 1.00 0.14 C ATOM 1143 C ILE A 324 -4.702 8.453 -2.062 1.00 0.14 C ATOM 1144 O ILE A 324 -5.869 8.638 -2.406 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.943 7.700 -3.677 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.735 8.131 -4.510 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.993 7.041 -4.562 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.985 6.975 -5.136 1.00 0.29 C ATOM 0 H ILE A 324 -1.651 9.104 -2.068 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.912 9.629 -3.678 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.613 6.972 -2.936 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.070 8.805 -5.298 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.051 8.696 -3.877 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.552 6.186 -5.074 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.828 6.705 -3.947 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.351 7.760 -5.299 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.142 7.357 -5.711 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.619 6.312 -4.352 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.654 6.422 -5.796 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.371 7.877 -0.910 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.385 7.374 0.013 1.00 0.13 C ATOM 1162 C VAL A 325 -6.178 8.515 0.655 1.00 0.16 C ATOM 1163 O VAL A 325 -7.277 8.313 1.175 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.759 6.472 1.105 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.837 5.860 1.993 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.923 5.379 0.464 1.00 0.16 C ATOM 0 H VAL A 325 -3.410 7.747 -0.593 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.077 6.770 -0.574 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.116 7.091 1.731 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.370 5.231 2.751 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.403 6.655 2.479 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.510 5.256 1.385 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.488 4.751 1.241 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.554 4.770 -0.183 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.126 5.830 -0.127 1.00 0.16 H new ATOM 1176 N SER A 326 -5.630 9.721 0.613 1.00 0.19 N ATOM 1177 CA SER A 326 -6.309 10.876 1.182 1.00 0.24 C ATOM 1178 C SER A 326 -7.164 11.578 0.129 1.00 0.27 C ATOM 1179 O SER A 326 -7.771 12.613 0.395 1.00 0.44 O ATOM 1180 CB SER A 326 -5.296 11.850 1.781 1.00 0.32 C ATOM 1181 OG SER A 326 -4.533 11.217 2.796 1.00 0.37 O ATOM 0 H SER A 326 -4.723 9.925 0.194 1.00 0.19 H new ATOM 0 HA SER A 326 -6.967 10.525 1.977 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.634 12.221 0.999 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.815 12.714 2.195 1.00 0.32 H new ATOM 0 HG SER A 326 -3.704 10.865 2.410 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.209 11.003 -1.066 1.00 0.27 N ATOM 1188 CA GLN A 327 -7.991 11.563 -2.155 1.00 0.32 C ATOM 1189 C GLN A 327 -9.163 10.647 -2.488 1.00 0.34 C ATOM 1190 O GLN A 327 -9.067 9.428 -2.347 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.114 11.761 -3.394 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.079 13.192 -3.901 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.373 14.143 -2.952 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.737 15.317 -2.850 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.349 13.658 -2.263 1.00 0.94 N ATOM 0 H GLN A 327 -6.710 10.146 -1.304 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.378 12.532 -1.840 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.097 11.443 -3.162 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.477 11.112 -4.191 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.578 13.216 -4.869 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.100 13.539 -4.061 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -5.077 12.681 -2.374 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -4.834 14.262 -1.622 1.00 0.94 H new ATOM 1204 N THR A 328 -10.261 11.233 -2.939 1.00 0.42 N ATOM 1205 CA THR A 328 -11.447 10.461 -3.284 1.00 0.49 C ATOM 1206 C THR A 328 -11.293 9.834 -4.670 1.00 0.51 C ATOM 1207 O THR A 328 -10.746 10.457 -5.582 1.00 0.84 O ATOM 1208 CB THR A 328 -12.713 11.341 -3.262 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.533 12.444 -2.359 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.929 10.533 -2.834 1.00 0.89 C ATOM 0 H THR A 328 -10.357 12.239 -3.075 1.00 0.42 H new ATOM 0 HA THR A 328 -11.554 9.674 -2.537 1.00 0.49 H new ATOM 0 HB THR A 328 -12.879 11.718 -4.271 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.342 12.998 -2.354 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.809 11.176 -2.826 1.00 0.89 H new ATOM 0 HG22 THR A 328 -14.085 9.712 -3.534 1.00 0.89 H new ATOM 0 HG23 THR A 328 -13.765 10.131 -1.834 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.744 8.596 -4.817 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.648 7.921 -6.097 1.00 0.44 C ATOM 1220 C GLY A 329 -11.340 6.443 -5.947 1.00 0.39 C ATOM 1221 O GLY A 329 -11.335 5.924 -4.830 1.00 0.43 O ATOM 0 H GLY A 329 -12.175 8.047 -4.073 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.586 8.041 -6.640 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.870 8.393 -6.697 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.098 5.738 -7.060 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.778 4.315 -7.056 1.00 0.39 C ATOM 1227 C PRO A 330 -9.275 4.061 -6.939 1.00 0.36 C ATOM 1228 O PRO A 330 -8.499 4.440 -7.821 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.294 3.840 -8.420 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.551 5.069 -9.242 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.130 6.262 -8.426 1.00 0.52 C ATOM 0 HA PRO A 330 -11.223 3.795 -6.207 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.562 3.196 -8.907 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.206 3.255 -8.305 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.991 5.028 -10.176 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.606 5.139 -9.505 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -10.155 6.638 -8.736 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -11.836 7.087 -8.525 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.870 3.412 -5.856 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.461 3.119 -5.628 1.00 0.25 C ATOM 1241 C ILE A 331 -7.111 1.704 -6.076 1.00 0.25 C ATOM 1242 O ILE A 331 -7.668 0.726 -5.572 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.076 3.288 -4.141 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.493 4.672 -3.634 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.576 3.080 -3.951 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.303 4.858 -2.143 1.00 0.35 C ATOM 0 H ILE A 331 -9.496 3.079 -5.122 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.894 3.836 -6.222 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.605 2.533 -3.560 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.916 5.431 -4.162 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.541 4.839 -3.881 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.322 3.203 -2.898 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.304 2.076 -4.275 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.029 3.813 -4.544 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.620 5.861 -1.858 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.901 4.122 -1.605 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.251 4.724 -1.891 1.00 0.35 H new ATOM 1258 N SER A 332 -6.199 1.608 -7.031 1.00 0.28 N ATOM 1259 CA SER A 332 -5.746 0.325 -7.545 1.00 0.31 C ATOM 1260 C SER A 332 -4.412 -0.059 -6.903 1.00 0.27 C ATOM 1261 O SER A 332 -3.398 0.611 -7.104 1.00 0.31 O ATOM 1262 CB SER A 332 -5.610 0.402 -9.066 1.00 0.41 C ATOM 1263 OG SER A 332 -5.591 1.756 -9.508 1.00 1.09 O ATOM 0 H SER A 332 -5.754 2.414 -7.470 1.00 0.28 H new ATOM 0 HA SER A 332 -6.478 -0.443 -7.295 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.694 -0.099 -9.379 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.439 -0.126 -9.536 1.00 0.41 H new ATOM 0 HG SER A 332 -5.502 1.780 -10.484 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.413 -1.136 -6.133 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.204 -1.582 -5.452 1.00 0.26 C ATOM 1271 C LEU A 333 -2.597 -2.801 -6.139 1.00 0.26 C ATOM 1272 O LEU A 333 -3.267 -3.811 -6.338 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.506 -1.918 -3.989 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.767 -0.717 -3.078 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.451 -1.163 -1.796 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.464 -0.007 -2.750 1.00 0.39 C ATOM 0 H LEU A 333 -5.234 -1.717 -5.963 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.483 -0.765 -5.495 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.377 -2.572 -3.957 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.667 -2.484 -3.584 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.423 -0.023 -3.604 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.630 -0.297 -1.159 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.402 -1.638 -2.037 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.813 -1.874 -1.271 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -2.667 0.845 -2.101 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.791 -0.698 -2.242 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -1.998 0.342 -3.671 1.00 0.39 H new ATOM 1288 N THR A 334 -1.328 -2.692 -6.497 1.00 0.24 N ATOM 1289 CA THR A 334 -0.617 -3.783 -7.146 1.00 0.26 C ATOM 1290 C THR A 334 0.406 -4.379 -6.183 1.00 0.26 C ATOM 1291 O THR A 334 1.469 -3.793 -5.947 1.00 0.28 O ATOM 1292 CB THR A 334 0.099 -3.298 -8.421 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.651 -2.233 -9.023 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.269 -4.433 -9.421 1.00 0.42 C ATOM 0 H THR A 334 -0.766 -1.854 -6.348 1.00 0.24 H new ATOM 0 HA THR A 334 -1.346 -4.543 -7.427 1.00 0.26 H new ATOM 0 HB THR A 334 1.089 -2.938 -8.140 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.488 -1.400 -8.533 1.00 0.50 H new ATOM 0 HG21 THR A 334 0.777 -4.061 -10.311 1.00 0.42 H new ATOM 0 HG22 THR A 334 0.862 -5.229 -8.971 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.710 -4.823 -9.699 1.00 0.42 H new ATOM 1302 N VAL A 335 0.076 -5.530 -5.619 1.00 0.26 N ATOM 1303 CA VAL A 335 0.955 -6.192 -4.665 1.00 0.28 C ATOM 1304 C VAL A 335 1.673 -7.377 -5.291 1.00 0.28 C ATOM 1305 O VAL A 335 1.230 -7.923 -6.305 1.00 0.32 O ATOM 1306 CB VAL A 335 0.185 -6.676 -3.417 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.282 -5.491 -2.584 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.995 -7.559 -3.810 1.00 0.31 C ATOM 0 H VAL A 335 -0.795 -6.027 -5.805 1.00 0.26 H new ATOM 0 HA VAL A 335 1.691 -5.447 -4.363 1.00 0.28 H new ATOM 0 HB VAL A 335 0.865 -7.275 -2.811 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.823 -5.852 -1.709 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.582 -4.909 -2.262 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.940 -4.862 -3.183 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.520 -7.886 -2.912 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.678 -6.993 -4.444 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.632 -8.430 -4.355 1.00 0.31 H new ATOM 1318 N ALA A 336 2.787 -7.757 -4.680 1.00 0.28 N ATOM 1319 CA ALA A 336 3.581 -8.879 -5.148 1.00 0.31 C ATOM 1320 C ALA A 336 3.642 -9.960 -4.081 1.00 0.33 C ATOM 1321 O ALA A 336 4.282 -9.790 -3.040 1.00 0.38 O ATOM 1322 CB ALA A 336 4.980 -8.423 -5.524 1.00 0.34 C ATOM 0 H ALA A 336 3.162 -7.297 -3.850 1.00 0.28 H new ATOM 0 HA ALA A 336 3.106 -9.293 -6.037 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.560 -9.278 -5.872 1.00 0.34 H new ATOM 0 HB2 ALA A 336 4.919 -7.678 -6.318 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.467 -7.985 -4.652 1.00 0.34 H new ATOM 1328 N LYS A 337 2.955 -11.054 -4.343 1.00 0.36 N ATOM 1329 CA LYS A 337 2.900 -12.178 -3.424 1.00 0.40 C ATOM 1330 C LYS A 337 3.637 -13.376 -4.012 1.00 0.47 C ATOM 1331 O LYS A 337 4.303 -13.207 -5.057 1.00 0.60 O ATOM 1332 CB LYS A 337 1.444 -12.558 -3.153 1.00 0.41 C ATOM 1333 CG LYS A 337 0.552 -11.375 -2.812 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.913 -11.779 -2.741 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.162 -12.796 -1.635 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.869 -12.234 -0.293 1.00 0.38 N ATOM 1337 OXT LYS A 337 3.528 -14.481 -3.446 1.00 0.70 O ATOM 0 H LYS A 337 2.418 -11.191 -5.199 1.00 0.36 H new ATOM 0 HA LYS A 337 3.379 -11.888 -2.489 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.041 -13.063 -4.031 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.412 -13.273 -2.331 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.859 -10.951 -1.856 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.679 -10.595 -3.563 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.527 -10.895 -2.568 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -1.222 -12.199 -3.698 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -2.200 -13.126 -1.672 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.541 -13.676 -1.804 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.083 -12.945 0.435 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 0.136 -11.973 -0.238 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.455 -11.389 -0.135 1.00 0.38 H new ATOM 1369 N TRP B 2 0.841 4.996 7.936 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.479 4.383 8.109 1.00 0.13 C ATOM 1371 C TRP B 2 -1.505 5.041 7.201 1.00 0.14 C ATOM 1372 O TRP B 2 -1.521 6.268 7.063 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.956 4.532 9.561 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.426 3.489 10.497 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.752 3.524 11.187 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.064 2.257 10.855 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.883 2.390 11.950 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.219 1.601 11.767 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.274 1.647 10.501 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.536 0.365 12.322 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.587 0.420 11.052 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.724 -0.208 11.957 1.00 0.39 C ATOM 0 HA TRP B 2 -0.384 3.328 7.853 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.662 5.515 9.928 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.045 4.498 9.578 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.474 4.326 11.140 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.674 2.171 12.555 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -2.950 2.128 9.809 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.131 -0.124 13.016 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.514 -0.063 10.780 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.001 -1.164 12.376 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.346 4.229 6.577 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.398 4.737 5.711 1.00 0.11 C ATOM 1395 C VAL B 3 -4.583 3.788 5.722 1.00 0.14 C ATOM 1396 O VAL B 3 -5.726 4.252 5.522 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.941 4.971 4.252 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.577 6.426 4.042 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.778 4.070 3.850 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.368 2.586 5.963 1.00 0.27 O ATOM 0 H VAL B 3 -2.319 3.212 6.655 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.680 5.710 6.114 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.782 4.711 3.609 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.257 6.576 3.011 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.446 7.052 4.247 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.766 6.699 4.717 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.498 4.276 2.817 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.926 4.263 4.502 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.077 3.026 3.943 1.00 0.11 H new