USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 17 ASN : amide:sc= -0.723 K(o=0.39,f=-2.4!) USER MOD Set 1.2: A 19 SER OG : rot -127:sc= 1.11 USER MOD Single : A 9 SER OG : rot 140:sc= -1.59! USER MOD Single : A 10 ASN : amide:sc= -0.165 K(o=-0.16,f=-3!) USER MOD Single : A 16 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -68:sc= 0.932 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 94:sc= 0.154 USER MOD Single : A 32 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.311 K(o=-0.31,f=-5!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 43 SER OG : rot 71:sc= 0.201 USER MOD Single : A 44 THR OG1 : rot -140:sc= -0.676 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 12:sc= 0.943 USER MOD Single : A 49 THR OG1 : rot -78:sc= 0.0934 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0932) USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.911 2.998 -1.499 1.00 0.00 N ATOM 152 CA GLY A 8 101.652 3.799 -1.556 1.00 0.00 C ATOM 153 C GLY A 8 101.656 4.728 -2.783 1.00 0.00 C ATOM 154 O GLY A 8 100.765 5.542 -2.943 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.792 3.131 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.549 4.390 -0.646 1.00 0.00 H new ATOM 158 N SER A 9 102.645 4.621 -3.646 1.00 0.00 N ATOM 159 CA SER A 9 102.678 5.486 -4.867 1.00 0.00 C ATOM 160 C SER A 9 101.892 4.828 -6.006 1.00 0.00 C ATOM 161 O SER A 9 101.942 3.625 -6.186 1.00 0.00 O ATOM 162 CB SER A 9 104.157 5.606 -5.236 1.00 0.00 C ATOM 163 OG SER A 9 104.638 4.341 -5.673 1.00 0.00 O ATOM 0 H SER A 9 103.427 3.973 -3.555 1.00 0.00 H new ATOM 0 HA SER A 9 102.224 6.461 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.288 6.349 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.731 5.949 -4.375 1.00 0.00 H new ATOM 0 HG SER A 9 105.238 4.466 -6.437 1.00 0.00 H new ATOM 169 N ASN A 10 101.171 5.608 -6.774 1.00 0.00 N ATOM 170 CA ASN A 10 100.450 5.046 -7.961 1.00 0.00 C ATOM 171 C ASN A 10 101.378 5.040 -9.174 1.00 0.00 C ATOM 172 O ASN A 10 101.785 6.079 -9.665 1.00 0.00 O ATOM 173 CB ASN A 10 99.265 5.987 -8.196 1.00 0.00 C ATOM 174 CG ASN A 10 98.236 5.302 -9.098 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.592 4.561 -9.994 1.00 0.00 O ATOM 176 ND2 ASN A 10 96.965 5.519 -8.897 1.00 0.00 N ATOM 0 H ASN A 10 101.050 6.611 -6.631 1.00 0.00 H new ATOM 0 HA ASN A 10 100.122 4.019 -7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.807 6.256 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.609 6.913 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.270 5.067 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.666 6.141 -8.145 1.00 0.00 H new ATOM 183 N VAL A 11 101.709 3.872 -9.657 1.00 0.00 N ATOM 184 CA VAL A 11 102.595 3.763 -10.853 1.00 0.00 C ATOM 185 C VAL A 11 101.959 2.816 -11.870 1.00 0.00 C ATOM 186 O VAL A 11 101.082 2.042 -11.534 1.00 0.00 O ATOM 187 CB VAL A 11 103.932 3.201 -10.338 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.568 4.199 -9.369 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.709 1.866 -9.612 1.00 0.00 C ATOM 0 H VAL A 11 101.400 2.980 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 11 102.744 4.723 -11.348 1.00 0.00 H new ATOM 0 HB VAL A 11 104.592 3.037 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.515 3.800 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.746 5.143 -9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.897 4.366 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.664 1.482 -9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.040 2.020 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.264 1.147 -10.300 1.00 0.00 H new ATOM 199 N GLU A 12 102.391 2.869 -13.104 1.00 0.00 N ATOM 200 CA GLU A 12 101.906 1.879 -14.107 1.00 0.00 C ATOM 201 C GLU A 12 103.088 1.062 -14.634 1.00 0.00 C ATOM 202 O GLU A 12 104.177 1.573 -14.802 1.00 0.00 O ATOM 203 CB GLU A 12 101.288 2.721 -15.226 1.00 0.00 C ATOM 204 CG GLU A 12 100.655 1.806 -16.279 1.00 0.00 C ATOM 205 CD GLU A 12 99.963 2.653 -17.349 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.299 3.609 -16.984 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.108 2.330 -18.517 1.00 0.00 O ATOM 0 H GLU A 12 103.058 3.555 -13.458 1.00 0.00 H new ATOM 0 HA GLU A 12 101.187 1.174 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.534 3.392 -14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.053 3.346 -15.687 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.420 1.179 -16.737 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.934 1.138 -15.808 1.00 0.00 H new ATOM 214 N VAL A 13 102.879 -0.203 -14.889 1.00 0.00 N ATOM 215 CA VAL A 13 103.974 -1.043 -15.465 1.00 0.00 C ATOM 216 C VAL A 13 103.450 -1.837 -16.661 1.00 0.00 C ATOM 217 O VAL A 13 102.322 -2.298 -16.657 1.00 0.00 O ATOM 218 CB VAL A 13 104.412 -1.983 -14.326 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.297 -2.980 -13.981 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.656 -2.761 -14.762 1.00 0.00 C ATOM 0 H VAL A 13 101.999 -0.692 -14.724 1.00 0.00 H new ATOM 0 HA VAL A 13 104.809 -0.443 -15.826 1.00 0.00 H new ATOM 0 HB VAL A 13 104.630 -1.380 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.630 -3.633 -13.174 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.408 -2.436 -13.664 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.061 -3.580 -14.860 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.969 -3.427 -13.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.425 -3.348 -15.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.461 -2.062 -14.988 1.00 0.00 H new ATOM 230 N LEU A 14 104.252 -1.998 -17.684 1.00 0.00 N ATOM 231 CA LEU A 14 103.872 -2.961 -18.762 1.00 0.00 C ATOM 232 C LEU A 14 104.575 -4.290 -18.529 1.00 0.00 C ATOM 233 O LEU A 14 105.751 -4.331 -18.215 1.00 0.00 O ATOM 234 CB LEU A 14 104.324 -2.377 -20.111 1.00 0.00 C ATOM 235 CG LEU A 14 103.897 -0.906 -20.319 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.687 -0.679 -21.818 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.597 -0.566 -19.572 1.00 0.00 C ATOM 0 H LEU A 14 105.139 -1.513 -17.819 1.00 0.00 H new ATOM 0 HA LEU A 14 102.794 -3.122 -18.759 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.409 -2.446 -20.182 1.00 0.00 H new ATOM 0 HB3 LEU A 14 103.912 -2.984 -20.917 1.00 0.00 H new ATOM 0 HG LEU A 14 104.680 -0.261 -19.921 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.385 0.354 -21.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.617 -0.879 -22.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 102.909 -1.350 -22.182 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.338 0.478 -19.749 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.792 -1.206 -19.933 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.738 -0.729 -18.504 1.00 0.00 H new ATOM 249 N LEU A 15 103.865 -5.376 -18.679 1.00 0.00 N ATOM 250 CA LEU A 15 104.506 -6.713 -18.513 1.00 0.00 C ATOM 251 C LEU A 15 105.196 -7.130 -19.816 1.00 0.00 C ATOM 252 O LEU A 15 105.129 -6.436 -20.814 1.00 0.00 O ATOM 253 CB LEU A 15 103.367 -7.679 -18.171 1.00 0.00 C ATOM 254 CG LEU A 15 102.742 -7.291 -16.828 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.453 -8.089 -16.617 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.723 -7.606 -15.696 1.00 0.00 C ATOM 0 H LEU A 15 102.871 -5.396 -18.909 1.00 0.00 H new ATOM 0 HA LEU A 15 105.268 -6.706 -17.734 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.610 -7.655 -18.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.746 -8.700 -18.125 1.00 0.00 H new ATOM 0 HG LEU A 15 102.517 -6.224 -16.828 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.007 -7.814 -15.661 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.752 -7.867 -17.422 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.681 -9.155 -16.618 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.277 -7.329 -14.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.948 -8.672 -15.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.643 -7.041 -15.844 1.00 0.00 H new ATOM 268 N ASN A 16 105.858 -8.262 -19.805 1.00 0.00 N ATOM 269 CA ASN A 16 106.626 -8.725 -21.016 1.00 0.00 C ATOM 270 C ASN A 16 105.714 -8.853 -22.248 1.00 0.00 C ATOM 271 O ASN A 16 106.179 -8.820 -23.373 1.00 0.00 O ATOM 272 CB ASN A 16 107.214 -10.093 -20.633 1.00 0.00 C ATOM 273 CG ASN A 16 106.095 -11.073 -20.259 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.226 -11.357 -21.060 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.080 -11.606 -19.068 1.00 0.00 N ATOM 0 H ASN A 16 105.903 -8.893 -19.005 1.00 0.00 H new ATOM 0 HA ASN A 16 107.401 -8.008 -21.287 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.792 -10.493 -21.466 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.901 -9.978 -19.794 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.340 -12.259 -18.811 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.808 -11.369 -18.394 1.00 0.00 H new ATOM 282 N ASN A 17 104.427 -8.998 -22.043 1.00 0.00 N ATOM 283 CA ASN A 17 103.500 -9.226 -23.198 1.00 0.00 C ATOM 284 C ASN A 17 102.770 -7.927 -23.590 1.00 0.00 C ATOM 285 O ASN A 17 101.680 -7.970 -24.129 1.00 0.00 O ATOM 286 CB ASN A 17 102.507 -10.299 -22.721 1.00 0.00 C ATOM 287 CG ASN A 17 101.723 -9.809 -21.497 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.722 -9.137 -21.631 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.142 -10.125 -20.301 1.00 0.00 N ATOM 0 H ASN A 17 103.978 -8.969 -21.128 1.00 0.00 H new ATOM 0 HA ASN A 17 104.040 -9.547 -24.089 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.816 -10.545 -23.527 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.045 -11.214 -22.472 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.628 -9.807 -19.480 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.984 -10.690 -20.188 1.00 0.00 H new ATOM 296 N ASP A 18 103.359 -6.772 -23.320 1.00 0.00 N ATOM 297 CA ASP A 18 102.790 -5.472 -23.821 1.00 0.00 C ATOM 298 C ASP A 18 101.361 -5.264 -23.305 1.00 0.00 C ATOM 299 O ASP A 18 100.569 -4.573 -23.918 1.00 0.00 O ATOM 300 CB ASP A 18 102.803 -5.561 -25.356 1.00 0.00 C ATOM 301 CG ASP A 18 104.246 -5.664 -25.857 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.089 -4.956 -25.329 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.484 -6.448 -26.761 1.00 0.00 O ATOM 0 H ASP A 18 104.214 -6.679 -22.771 1.00 0.00 H new ATOM 0 HA ASP A 18 103.378 -4.625 -23.467 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.232 -6.429 -25.684 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.321 -4.682 -25.785 1.00 0.00 H new ATOM 308 N SER A 19 101.027 -5.858 -22.181 1.00 0.00 N ATOM 309 CA SER A 19 99.751 -5.504 -21.494 1.00 0.00 C ATOM 310 C SER A 19 100.057 -4.547 -20.345 1.00 0.00 C ATOM 311 O SER A 19 101.015 -4.731 -19.616 1.00 0.00 O ATOM 312 CB SER A 19 99.197 -6.825 -20.962 1.00 0.00 C ATOM 313 OG SER A 19 100.071 -7.334 -19.963 1.00 0.00 O ATOM 0 H SER A 19 101.586 -6.572 -21.714 1.00 0.00 H new ATOM 0 HA SER A 19 99.036 -5.014 -22.155 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.201 -6.674 -20.547 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.097 -7.544 -21.775 1.00 0.00 H new ATOM 0 HG SER A 19 100.314 -8.258 -20.181 1.00 0.00 H new ATOM 319 N LYS A 20 99.254 -3.528 -20.175 1.00 0.00 N ATOM 320 CA LYS A 20 99.596 -2.462 -19.184 1.00 0.00 C ATOM 321 C LYS A 20 98.651 -2.528 -17.981 1.00 0.00 C ATOM 322 O LYS A 20 97.473 -2.804 -18.121 1.00 0.00 O ATOM 323 CB LYS A 20 99.407 -1.123 -19.924 1.00 0.00 C ATOM 324 CG LYS A 20 100.014 -1.180 -21.337 1.00 0.00 C ATOM 325 CD LYS A 20 100.010 0.223 -21.950 1.00 0.00 C ATOM 326 CE LYS A 20 100.524 0.151 -23.390 1.00 0.00 C ATOM 327 NZ LYS A 20 99.908 1.322 -24.075 1.00 0.00 N ATOM 0 H LYS A 20 98.378 -3.388 -20.678 1.00 0.00 H new ATOM 0 HA LYS A 20 100.613 -2.580 -18.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.345 -0.888 -19.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.876 -0.320 -19.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.032 -1.566 -21.292 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.441 -1.864 -21.963 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.002 0.636 -21.933 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.639 0.891 -21.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.612 0.201 -23.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.232 -0.785 -23.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.213 1.342 -25.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.872 1.244 -24.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.209 2.198 -23.603 1.00 0.00 H new ATOM 341 N ALA A 21 99.166 -2.276 -16.802 1.00 0.00 N ATOM 342 CA ALA A 21 98.306 -2.273 -15.580 1.00 0.00 C ATOM 343 C ALA A 21 98.732 -1.142 -14.638 1.00 0.00 C ATOM 344 O ALA A 21 99.892 -0.777 -14.580 1.00 0.00 O ATOM 345 CB ALA A 21 98.544 -3.634 -14.925 1.00 0.00 C ATOM 0 H ALA A 21 100.151 -2.071 -16.634 1.00 0.00 H new ATOM 0 HA ALA A 21 97.254 -2.112 -15.815 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.946 -3.711 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.257 -4.426 -15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.600 -3.737 -14.673 1.00 0.00 H new ATOM 351 N ARG A 22 97.799 -0.588 -13.901 1.00 0.00 N ATOM 352 CA ARG A 22 98.128 0.547 -12.980 1.00 0.00 C ATOM 353 C ARG A 22 97.681 0.200 -11.559 1.00 0.00 C ATOM 354 O ARG A 22 96.764 -0.578 -11.371 1.00 0.00 O ATOM 355 CB ARG A 22 97.314 1.737 -13.504 1.00 0.00 C ATOM 356 CG ARG A 22 97.748 2.093 -14.929 1.00 0.00 C ATOM 357 CD ARG A 22 96.650 2.921 -15.607 1.00 0.00 C ATOM 358 NE ARG A 22 96.598 4.214 -14.851 1.00 0.00 N ATOM 359 CZ ARG A 22 95.574 5.038 -14.969 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.557 4.766 -15.755 1.00 0.00 N ATOM 361 NH2 ARG A 22 95.573 6.153 -14.290 1.00 0.00 N ATOM 0 H ARG A 22 96.820 -0.874 -13.898 1.00 0.00 H new ATOM 0 HA ARG A 22 99.196 0.761 -12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.252 1.494 -13.490 1.00 0.00 H new ATOM 0 HB3 ARG A 22 97.452 2.597 -12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 22 98.681 2.656 -14.906 1.00 0.00 H new ATOM 0 HG3 ARG A 22 97.938 1.184 -15.500 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.880 3.091 -16.659 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.690 2.406 -15.569 1.00 0.00 H new ATOM 0 HE ARG A 22 97.370 4.462 -14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.546 3.900 -16.293 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.779 5.421 -15.827 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.357 6.378 -13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.788 6.799 -14.372 1.00 0.00 H new ATOM 375 N GLY A 23 98.319 0.762 -10.557 1.00 0.00 N ATOM 376 CA GLY A 23 97.843 0.534 -9.159 1.00 0.00 C ATOM 377 C GLY A 23 98.757 1.259 -8.170 1.00 0.00 C ATOM 378 O GLY A 23 99.796 1.775 -8.538 1.00 0.00 O ATOM 0 H GLY A 23 99.139 1.362 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.820 0.893 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.831 -0.534 -8.940 1.00 0.00 H new ATOM 382 N VAL A 24 98.371 1.298 -6.918 1.00 0.00 N ATOM 383 CA VAL A 24 99.238 1.930 -5.877 1.00 0.00 C ATOM 384 C VAL A 24 100.087 0.850 -5.201 1.00 0.00 C ATOM 385 O VAL A 24 99.573 -0.132 -4.702 1.00 0.00 O ATOM 386 CB VAL A 24 98.276 2.580 -4.868 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.081 3.355 -3.824 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.334 3.552 -5.589 1.00 0.00 C ATOM 0 H VAL A 24 97.490 0.918 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 24 99.920 2.669 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 24 97.690 1.798 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.400 3.816 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.750 2.672 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.667 4.130 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.657 4.007 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.919 4.331 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.755 3.010 -6.337 1.00 0.00 H new ATOM 398 N ILE A 25 101.384 1.034 -5.182 1.00 0.00 N ATOM 399 CA ILE A 25 102.295 -0.033 -4.650 1.00 0.00 C ATOM 400 C ILE A 25 102.059 -0.233 -3.147 1.00 0.00 C ATOM 401 O ILE A 25 101.913 0.719 -2.403 1.00 0.00 O ATOM 402 CB ILE A 25 103.720 0.482 -4.931 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.950 0.526 -6.446 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.769 -0.435 -4.280 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.200 1.355 -6.756 1.00 0.00 C ATOM 0 H ILE A 25 101.854 1.877 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 25 102.122 -1.002 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 25 103.823 1.481 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.067 -0.485 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.082 0.960 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.768 -0.053 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.611 -0.461 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.673 -1.442 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.360 1.384 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 105.065 2.370 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 25 106.066 0.902 -6.273 1.00 0.00 H new ATOM 417 N THR A 26 102.023 -1.468 -2.706 1.00 0.00 N ATOM 418 CA THR A 26 101.765 -1.749 -1.262 1.00 0.00 C ATOM 419 C THR A 26 102.875 -2.618 -0.656 1.00 0.00 C ATOM 420 O THR A 26 103.239 -2.440 0.492 1.00 0.00 O ATOM 421 CB THR A 26 100.428 -2.492 -1.234 1.00 0.00 C ATOM 422 OG1 THR A 26 100.497 -3.619 -2.096 1.00 0.00 O ATOM 423 CG2 THR A 26 99.302 -1.562 -1.698 1.00 0.00 C ATOM 0 H THR A 26 102.162 -2.294 -3.288 1.00 0.00 H new ATOM 0 HA THR A 26 101.741 -0.831 -0.674 1.00 0.00 H new ATOM 0 HB THR A 26 100.222 -2.820 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.560 -3.316 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.354 -2.099 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.246 -0.699 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.504 -1.226 -2.715 1.00 0.00 H new ATOM 431 N ASN A 27 103.418 -3.555 -1.407 1.00 0.00 N ATOM 432 CA ASN A 27 104.399 -4.512 -0.806 1.00 0.00 C ATOM 433 C ASN A 27 105.593 -4.732 -1.737 1.00 0.00 C ATOM 434 O ASN A 27 105.467 -4.686 -2.945 1.00 0.00 O ATOM 435 CB ASN A 27 103.617 -5.813 -0.625 1.00 0.00 C ATOM 436 CG ASN A 27 104.405 -6.761 0.281 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.628 -6.468 1.439 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.839 -7.894 -0.201 1.00 0.00 N ATOM 0 H ASN A 27 103.224 -3.694 -2.399 1.00 0.00 H new ATOM 0 HA ASN A 27 104.806 -4.138 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.640 -5.605 -0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.441 -6.281 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.365 -8.533 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.652 -8.140 -1.173 1.00 0.00 H new ATOM 445 N PHE A 28 106.753 -4.967 -1.171 1.00 0.00 N ATOM 446 CA PHE A 28 107.946 -5.337 -1.989 1.00 0.00 C ATOM 447 C PHE A 28 108.862 -6.255 -1.176 1.00 0.00 C ATOM 448 O PHE A 28 109.210 -5.953 -0.049 1.00 0.00 O ATOM 449 CB PHE A 28 108.644 -4.014 -2.303 1.00 0.00 C ATOM 450 CG PHE A 28 109.757 -4.147 -3.315 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.450 -4.413 -4.672 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.106 -4.001 -2.909 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.492 -4.536 -5.623 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.148 -4.124 -3.860 1.00 0.00 C ATOM 455 CZ PHE A 28 111.841 -4.390 -5.217 1.00 0.00 C ATOM 0 H PHE A 28 106.923 -4.917 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 28 107.679 -5.873 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.907 -3.303 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 28 109.050 -3.598 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.421 -4.522 -4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.340 -3.796 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.258 -4.741 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.177 -4.015 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.636 -4.482 -5.942 1.00 0.00 H new ATOM 465 N ASP A 29 109.253 -7.369 -1.740 1.00 0.00 N ATOM 466 CA ASP A 29 110.083 -8.355 -0.981 1.00 0.00 C ATOM 467 C ASP A 29 111.402 -8.605 -1.714 1.00 0.00 C ATOM 468 O ASP A 29 111.411 -9.002 -2.863 1.00 0.00 O ATOM 469 CB ASP A 29 109.241 -9.632 -0.939 1.00 0.00 C ATOM 470 CG ASP A 29 109.856 -10.619 0.056 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.065 -10.780 0.031 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.107 -11.198 0.824 1.00 0.00 O ATOM 0 H ASP A 29 109.032 -7.640 -2.698 1.00 0.00 H new ATOM 0 HA ASP A 29 110.336 -8.002 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.218 -9.396 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.194 -10.082 -1.931 1.00 0.00 H new ATOM 477 N SER A 30 112.510 -8.374 -1.054 1.00 0.00 N ATOM 478 CA SER A 30 113.843 -8.577 -1.710 1.00 0.00 C ATOM 479 C SER A 30 114.126 -10.071 -1.920 1.00 0.00 C ATOM 480 O SER A 30 114.876 -10.443 -2.804 1.00 0.00 O ATOM 481 CB SER A 30 114.867 -7.973 -0.746 1.00 0.00 C ATOM 482 OG SER A 30 114.920 -8.760 0.437 1.00 0.00 O ATOM 0 H SER A 30 112.551 -8.053 -0.087 1.00 0.00 H new ATOM 0 HA SER A 30 113.881 -8.108 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.849 -7.937 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.593 -6.947 -0.502 1.00 0.00 H new ATOM 0 HG SER A 30 115.576 -8.377 1.056 1.00 0.00 H new ATOM 488 N SER A 31 113.532 -10.928 -1.119 1.00 0.00 N ATOM 489 CA SER A 31 113.819 -12.399 -1.229 1.00 0.00 C ATOM 490 C SER A 31 113.425 -12.929 -2.614 1.00 0.00 C ATOM 491 O SER A 31 114.194 -13.617 -3.261 1.00 0.00 O ATOM 492 CB SER A 31 112.966 -13.062 -0.145 1.00 0.00 C ATOM 493 OG SER A 31 113.243 -12.451 1.108 1.00 0.00 O ATOM 0 H SER A 31 112.861 -10.673 -0.394 1.00 0.00 H new ATOM 0 HA SER A 31 114.881 -12.610 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.908 -12.961 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.182 -14.129 -0.098 1.00 0.00 H new ATOM 0 HG SER A 31 112.597 -11.732 1.271 1.00 0.00 H new ATOM 499 N ASN A 32 112.237 -12.611 -3.069 1.00 0.00 N ATOM 500 CA ASN A 32 111.793 -13.077 -4.422 1.00 0.00 C ATOM 501 C ASN A 32 111.373 -11.893 -5.310 1.00 0.00 C ATOM 502 O ASN A 32 110.826 -12.086 -6.380 1.00 0.00 O ATOM 503 CB ASN A 32 110.593 -13.987 -4.150 1.00 0.00 C ATOM 504 CG ASN A 32 111.060 -15.248 -3.418 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.535 -15.587 -2.376 1.00 0.00 O ATOM 506 ND2 ASN A 32 112.031 -15.958 -3.922 1.00 0.00 N ATOM 0 H ASN A 32 111.554 -12.048 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 32 112.595 -13.589 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.852 -13.459 -3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.109 -14.257 -5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.351 -16.799 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.471 -15.672 -4.797 1.00 0.00 H new ATOM 513 N SER A 33 111.623 -10.669 -4.880 1.00 0.00 N ATOM 514 CA SER A 33 111.202 -9.459 -5.671 1.00 0.00 C ATOM 515 C SER A 33 109.716 -9.545 -6.063 1.00 0.00 C ATOM 516 O SER A 33 109.375 -9.671 -7.227 1.00 0.00 O ATOM 517 CB SER A 33 112.100 -9.451 -6.914 1.00 0.00 C ATOM 518 OG SER A 33 113.450 -9.666 -6.520 1.00 0.00 O ATOM 0 H SER A 33 112.105 -10.457 -4.007 1.00 0.00 H new ATOM 0 HA SER A 33 111.310 -8.542 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.784 -10.228 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.009 -8.499 -7.437 1.00 0.00 H new ATOM 0 HG SER A 33 114.026 -9.663 -7.313 1.00 0.00 H new ATOM 524 N ILE A 34 108.836 -9.480 -5.093 1.00 0.00 N ATOM 525 CA ILE A 34 107.371 -9.576 -5.390 1.00 0.00 C ATOM 526 C ILE A 34 106.685 -8.250 -5.043 1.00 0.00 C ATOM 527 O ILE A 34 106.899 -7.692 -3.983 1.00 0.00 O ATOM 528 CB ILE A 34 106.838 -10.714 -4.501 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.651 -12.011 -4.725 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.361 -10.975 -4.825 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.570 -12.479 -6.192 1.00 0.00 C ATOM 0 H ILE A 34 109.069 -9.364 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 34 107.177 -9.776 -6.444 1.00 0.00 H new ATOM 0 HB ILE A 34 106.939 -10.413 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.693 -11.841 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.274 -12.796 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.987 -11.781 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.782 -10.070 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.263 -11.259 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.152 -13.392 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.530 -12.673 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.971 -11.703 -6.844 1.00 0.00 H new ATOM 543 N LEU A 35 105.861 -7.747 -5.932 1.00 0.00 N ATOM 544 CA LEU A 35 105.242 -6.401 -5.722 1.00 0.00 C ATOM 545 C LEU A 35 103.716 -6.506 -5.762 1.00 0.00 C ATOM 546 O LEU A 35 103.146 -7.002 -6.716 1.00 0.00 O ATOM 547 CB LEU A 35 105.756 -5.555 -6.889 1.00 0.00 C ATOM 548 CG LEU A 35 105.310 -4.100 -6.715 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.282 -3.374 -5.782 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.299 -3.409 -8.080 1.00 0.00 C ATOM 0 H LEU A 35 105.590 -8.214 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 35 105.500 -5.969 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.844 -5.608 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.376 -5.951 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 35 104.309 -4.074 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.964 -2.339 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.292 -3.868 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.284 -3.397 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.982 -2.373 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.301 -3.435 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.606 -3.926 -8.744 1.00 0.00 H new ATOM 562 N GLN A 36 103.058 -6.041 -4.730 1.00 0.00 N ATOM 563 CA GLN A 36 101.569 -5.990 -4.746 1.00 0.00 C ATOM 564 C GLN A 36 101.100 -4.571 -5.067 1.00 0.00 C ATOM 565 O GLN A 36 101.513 -3.616 -4.431 1.00 0.00 O ATOM 566 CB GLN A 36 101.139 -6.394 -3.335 1.00 0.00 C ATOM 567 CG GLN A 36 101.326 -7.902 -3.156 1.00 0.00 C ATOM 568 CD GLN A 36 100.981 -8.296 -1.718 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.238 -7.552 -0.792 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.404 -9.444 -1.490 1.00 0.00 N ATOM 0 H GLN A 36 103.492 -5.694 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 36 101.139 -6.648 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.729 -5.853 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.096 -6.124 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.688 -8.443 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.355 -8.180 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.188 -10.069 -2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.169 -9.716 -0.535 1.00 0.00 H new ATOM 579 N LEU A 37 100.243 -4.430 -6.049 1.00 0.00 N ATOM 580 CA LEU A 37 99.707 -3.083 -6.404 1.00 0.00 C ATOM 581 C LEU A 37 98.226 -3.001 -6.039 1.00 0.00 C ATOM 582 O LEU A 37 97.416 -3.763 -6.535 1.00 0.00 O ATOM 583 CB LEU A 37 99.883 -2.963 -7.922 1.00 0.00 C ATOM 584 CG LEU A 37 101.280 -2.432 -8.250 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.569 -2.653 -9.737 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.345 -0.935 -7.942 1.00 0.00 C ATOM 0 H LEU A 37 99.891 -5.197 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 37 100.221 -2.283 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.736 -3.936 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.126 -2.294 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 37 102.019 -2.960 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.564 -2.276 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.522 -3.718 -9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.828 -2.122 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.341 -0.558 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.606 -0.407 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.134 -0.772 -6.885 1.00 0.00 H new ATOM 598 N ARG A 38 97.868 -2.084 -5.177 1.00 0.00 N ATOM 599 CA ARG A 38 96.423 -1.898 -4.833 1.00 0.00 C ATOM 600 C ARG A 38 95.852 -0.711 -5.614 1.00 0.00 C ATOM 601 O ARG A 38 96.323 0.403 -5.492 1.00 0.00 O ATOM 602 CB ARG A 38 96.391 -1.620 -3.329 1.00 0.00 C ATOM 603 CG ARG A 38 96.540 -2.936 -2.561 1.00 0.00 C ATOM 604 CD ARG A 38 96.144 -2.721 -1.097 1.00 0.00 C ATOM 605 NE ARG A 38 94.655 -2.858 -1.072 1.00 0.00 N ATOM 606 CZ ARG A 38 94.069 -4.040 -1.122 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.764 -5.152 -1.210 1.00 0.00 N ATOM 608 NH2 ARG A 38 92.766 -4.106 -1.087 1.00 0.00 N ATOM 0 H ARG A 38 98.512 -1.456 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 38 95.823 -2.772 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.195 -0.936 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 38 95.454 -1.133 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 38 95.911 -3.705 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 38 97.569 -3.291 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 38 96.619 -3.457 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 38 96.455 -1.738 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 38 94.079 -2.018 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.783 -5.115 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.285 -6.052 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 92.214 -3.251 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 38 92.300 -5.013 -1.125 1.00 0.00 H new ATOM 622 N LEU A 39 94.839 -0.945 -6.411 1.00 0.00 N ATOM 623 CA LEU A 39 94.335 0.123 -7.328 1.00 0.00 C ATOM 624 C LEU A 39 93.055 0.759 -6.766 1.00 0.00 C ATOM 625 O LEU A 39 92.290 0.126 -6.060 1.00 0.00 O ATOM 626 CB LEU A 39 94.074 -0.608 -8.653 1.00 0.00 C ATOM 627 CG LEU A 39 93.553 0.354 -9.735 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.566 1.473 -10.009 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.340 -0.435 -11.023 1.00 0.00 C ATOM 0 H LEU A 39 94.338 -1.832 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 39 95.040 0.945 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.994 -1.080 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.348 -1.405 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 39 92.622 0.802 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.173 2.139 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.740 2.038 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.505 1.038 -10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.970 0.232 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.285 -0.875 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.612 -1.227 -10.848 1.00 0.00 H new ATOM 641 N ALA A 40 92.826 2.013 -7.087 1.00 0.00 N ATOM 642 CA ALA A 40 91.718 2.791 -6.435 1.00 0.00 C ATOM 643 C ALA A 40 90.330 2.223 -6.780 1.00 0.00 C ATOM 644 O ALA A 40 89.333 2.654 -6.229 1.00 0.00 O ATOM 645 CB ALA A 40 91.852 4.216 -6.978 1.00 0.00 C ATOM 0 H ALA A 40 93.364 2.536 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 40 91.801 2.744 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 40 91.074 4.845 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.831 4.616 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.747 4.203 -8.063 1.00 0.00 H new ATOM 651 N ASN A 41 90.249 1.269 -7.680 1.00 0.00 N ATOM 652 CA ASN A 41 88.934 0.611 -7.974 1.00 0.00 C ATOM 653 C ASN A 41 88.681 -0.563 -7.010 1.00 0.00 C ATOM 654 O ASN A 41 88.040 -1.532 -7.374 1.00 0.00 O ATOM 655 CB ASN A 41 89.060 0.098 -9.412 1.00 0.00 C ATOM 656 CG ASN A 41 89.163 1.283 -10.375 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.525 2.299 -10.179 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.946 1.196 -11.415 1.00 0.00 N ATOM 0 H ASN A 41 91.037 0.918 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 41 88.100 1.302 -7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.941 -0.537 -9.506 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.196 -0.516 -9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 41 90.022 1.980 -12.063 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.482 0.344 -11.580 1.00 0.00 H new ATOM 665 N ASP A 42 89.181 -0.494 -5.782 1.00 0.00 N ATOM 666 CA ASP A 42 88.925 -1.579 -4.769 1.00 0.00 C ATOM 667 C ASP A 42 89.423 -2.931 -5.298 1.00 0.00 C ATOM 668 O ASP A 42 88.892 -3.970 -4.949 1.00 0.00 O ATOM 669 CB ASP A 42 87.404 -1.613 -4.547 1.00 0.00 C ATOM 670 CG ASP A 42 86.938 -0.273 -3.968 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.610 0.604 -4.749 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.920 -0.150 -2.755 1.00 0.00 O ATOM 0 H ASP A 42 89.758 0.275 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 42 89.454 -1.384 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.893 -1.811 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.144 -2.424 -3.867 1.00 0.00 H new ATOM 677 N SER A 43 90.438 -2.924 -6.139 1.00 0.00 N ATOM 678 CA SER A 43 91.004 -4.210 -6.648 1.00 0.00 C ATOM 679 C SER A 43 92.481 -4.322 -6.264 1.00 0.00 C ATOM 680 O SER A 43 93.219 -3.356 -6.322 1.00 0.00 O ATOM 681 CB SER A 43 90.847 -4.138 -8.167 1.00 0.00 C ATOM 682 OG SER A 43 89.468 -4.026 -8.492 1.00 0.00 O ATOM 0 H SER A 43 90.894 -2.082 -6.491 1.00 0.00 H new ATOM 0 HA SER A 43 90.499 -5.080 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.396 -3.282 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.270 -5.029 -8.631 1.00 0.00 H new ATOM 0 HG SER A 43 89.142 -3.139 -8.234 1.00 0.00 H new ATOM 688 N THR A 44 92.912 -5.496 -5.872 1.00 0.00 N ATOM 689 CA THR A 44 94.346 -5.691 -5.489 1.00 0.00 C ATOM 690 C THR A 44 94.942 -6.872 -6.261 1.00 0.00 C ATOM 691 O THR A 44 94.281 -7.870 -6.488 1.00 0.00 O ATOM 692 CB THR A 44 94.329 -5.968 -3.976 1.00 0.00 C ATOM 693 OG1 THR A 44 95.661 -6.159 -3.518 1.00 0.00 O ATOM 694 CG2 THR A 44 93.497 -7.220 -3.664 1.00 0.00 C ATOM 0 H THR A 44 92.330 -6.331 -5.800 1.00 0.00 H new ATOM 0 HA THR A 44 94.960 -4.822 -5.726 1.00 0.00 H new ATOM 0 HB THR A 44 93.879 -5.115 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.680 -6.886 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.498 -7.399 -2.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.473 -7.071 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.929 -8.081 -4.175 1.00 0.00 H new ATOM 702 N LYS A 45 96.183 -6.764 -6.664 1.00 0.00 N ATOM 703 CA LYS A 45 96.824 -7.870 -7.440 1.00 0.00 C ATOM 704 C LYS A 45 98.301 -8.004 -7.059 1.00 0.00 C ATOM 705 O LYS A 45 99.024 -7.026 -6.997 1.00 0.00 O ATOM 706 CB LYS A 45 96.678 -7.462 -8.906 1.00 0.00 C ATOM 707 CG LYS A 45 97.082 -8.633 -9.805 1.00 0.00 C ATOM 708 CD LYS A 45 96.895 -8.241 -11.272 1.00 0.00 C ATOM 709 CE LYS A 45 97.137 -9.463 -12.162 1.00 0.00 C ATOM 710 NZ LYS A 45 96.627 -9.068 -13.504 1.00 0.00 N ATOM 0 H LYS A 45 96.781 -5.956 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 45 96.361 -8.836 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.648 -7.170 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.304 -6.595 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 45 98.121 -8.905 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.477 -9.509 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.888 -7.856 -11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.587 -7.442 -11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 45 98.196 -9.719 -12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.611 -10.339 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.758 -9.855 -14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.615 -8.836 -13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 97.151 -8.236 -13.843 1.00 0.00 H new ATOM 724 N SER A 46 98.749 -9.210 -6.807 1.00 0.00 N ATOM 725 CA SER A 46 100.192 -9.431 -6.486 1.00 0.00 C ATOM 726 C SER A 46 100.940 -9.896 -7.738 1.00 0.00 C ATOM 727 O SER A 46 100.602 -10.904 -8.330 1.00 0.00 O ATOM 728 CB SER A 46 100.197 -10.526 -5.419 1.00 0.00 C ATOM 729 OG SER A 46 99.741 -11.744 -5.994 1.00 0.00 O ATOM 0 H SER A 46 98.175 -10.053 -6.810 1.00 0.00 H new ATOM 0 HA SER A 46 100.685 -8.523 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.202 -10.654 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.555 -10.241 -4.586 1.00 0.00 H new ATOM 0 HG SER A 46 99.708 -11.653 -6.969 1.00 0.00 H new ATOM 735 N ILE A 47 101.954 -9.168 -8.140 1.00 0.00 N ATOM 736 CA ILE A 47 102.711 -9.539 -9.377 1.00 0.00 C ATOM 737 C ILE A 47 104.209 -9.576 -9.067 1.00 0.00 C ATOM 738 O ILE A 47 104.750 -8.655 -8.483 1.00 0.00 O ATOM 739 CB ILE A 47 102.391 -8.435 -10.401 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.878 -8.377 -10.654 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.105 -8.733 -11.724 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.537 -7.102 -11.431 1.00 0.00 C ATOM 0 H ILE A 47 102.291 -8.331 -7.664 1.00 0.00 H new ATOM 0 HA ILE A 47 102.434 -10.522 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 47 102.732 -7.479 -10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.559 -9.254 -11.217 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.339 -8.393 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.876 -7.949 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.181 -8.768 -11.557 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.766 -9.694 -12.112 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.463 -7.062 -11.610 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.841 -6.230 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.064 -7.105 -12.385 1.00 0.00 H new ATOM 754 N VAL A 48 104.880 -10.632 -9.455 1.00 0.00 N ATOM 755 CA VAL A 48 106.358 -10.704 -9.232 1.00 0.00 C ATOM 756 C VAL A 48 107.059 -9.747 -10.203 1.00 0.00 C ATOM 757 O VAL A 48 106.732 -9.691 -11.371 1.00 0.00 O ATOM 758 CB VAL A 48 106.767 -12.163 -9.506 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.253 -12.354 -9.175 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.914 -13.124 -8.655 1.00 0.00 C ATOM 0 H VAL A 48 104.470 -11.445 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 48 106.637 -10.414 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 48 106.601 -12.385 -10.560 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.539 -13.388 -9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.853 -11.688 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.424 -12.122 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.213 -14.152 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.064 -12.904 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.861 -12.996 -8.907 1.00 0.00 H new ATOM 770 N THR A 49 108.019 -8.999 -9.723 1.00 0.00 N ATOM 771 CA THR A 49 108.624 -7.909 -10.558 1.00 0.00 C ATOM 772 C THR A 49 109.302 -8.475 -11.811 1.00 0.00 C ATOM 773 O THR A 49 109.450 -7.786 -12.803 1.00 0.00 O ATOM 774 CB THR A 49 109.654 -7.217 -9.656 1.00 0.00 C ATOM 775 OG1 THR A 49 110.593 -8.177 -9.191 1.00 0.00 O ATOM 776 CG2 THR A 49 108.947 -6.569 -8.463 1.00 0.00 C ATOM 0 H THR A 49 108.413 -9.094 -8.787 1.00 0.00 H new ATOM 0 HA THR A 49 107.860 -7.216 -10.910 1.00 0.00 H new ATOM 0 HB THR A 49 110.172 -6.445 -10.225 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.193 -8.701 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.683 -6.079 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.230 -5.831 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.424 -7.335 -7.890 1.00 0.00 H new ATOM 784 N LYS A 50 109.715 -9.719 -11.776 1.00 0.00 N ATOM 785 CA LYS A 50 110.473 -10.299 -12.935 1.00 0.00 C ATOM 786 C LYS A 50 109.649 -10.215 -14.227 1.00 0.00 C ATOM 787 O LYS A 50 110.198 -10.176 -15.314 1.00 0.00 O ATOM 788 CB LYS A 50 110.743 -11.763 -12.557 1.00 0.00 C ATOM 789 CG LYS A 50 111.664 -12.414 -13.594 1.00 0.00 C ATOM 790 CD LYS A 50 111.642 -13.933 -13.412 1.00 0.00 C ATOM 791 CE LYS A 50 112.692 -14.573 -14.325 1.00 0.00 C ATOM 792 NZ LYS A 50 112.065 -14.590 -15.676 1.00 0.00 N ATOM 0 H LYS A 50 109.561 -10.359 -10.997 1.00 0.00 H new ATOM 0 HA LYS A 50 111.397 -9.752 -13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.202 -11.813 -11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.803 -12.311 -12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.338 -12.153 -14.601 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.681 -12.038 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.845 -14.188 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.652 -14.324 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.618 -13.998 -14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.943 -15.580 -13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 111.855 -15.571 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 111.183 -14.040 -15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.719 -14.171 -16.368 1.00 0.00 H new ATOM 806 N ASP A 51 108.343 -10.188 -14.117 1.00 0.00 N ATOM 807 CA ASP A 51 107.496 -10.022 -15.341 1.00 0.00 C ATOM 808 C ASP A 51 107.282 -8.533 -15.677 1.00 0.00 C ATOM 809 O ASP A 51 106.481 -8.204 -16.533 1.00 0.00 O ATOM 810 CB ASP A 51 106.159 -10.722 -15.035 1.00 0.00 C ATOM 811 CG ASP A 51 105.473 -10.101 -13.811 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.327 -8.890 -13.781 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.099 -10.853 -12.926 1.00 0.00 O ATOM 0 H ASP A 51 107.829 -10.273 -13.240 1.00 0.00 H new ATOM 0 HA ASP A 51 107.979 -10.460 -16.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.501 -10.648 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.334 -11.783 -14.857 1.00 0.00 H new ATOM 818 N ILE A 52 107.985 -7.632 -15.017 1.00 0.00 N ATOM 819 CA ILE A 52 107.897 -6.185 -15.407 1.00 0.00 C ATOM 820 C ILE A 52 108.743 -5.934 -16.659 1.00 0.00 C ATOM 821 O ILE A 52 109.957 -6.030 -16.627 1.00 0.00 O ATOM 822 CB ILE A 52 108.453 -5.390 -14.208 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.549 -5.611 -12.984 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.508 -3.886 -14.552 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.154 -4.916 -11.756 1.00 0.00 C ATOM 0 H ILE A 52 108.608 -7.836 -14.235 1.00 0.00 H new ATOM 0 HA ILE A 52 106.875 -5.886 -15.638 1.00 0.00 H new ATOM 0 HB ILE A 52 109.461 -5.738 -13.983 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.552 -5.217 -13.181 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.438 -6.678 -12.791 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.902 -3.332 -13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.156 -3.734 -15.415 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.505 -3.529 -14.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.509 -5.076 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.142 -5.330 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.242 -3.847 -11.950 1.00 0.00 H new ATOM 837 N LYS A 53 108.105 -5.615 -17.758 1.00 0.00 N ATOM 838 CA LYS A 53 108.869 -5.177 -18.968 1.00 0.00 C ATOM 839 C LYS A 53 109.223 -3.693 -18.856 1.00 0.00 C ATOM 840 O LYS A 53 110.308 -3.278 -19.223 1.00 0.00 O ATOM 841 CB LYS A 53 107.934 -5.413 -20.155 1.00 0.00 C ATOM 842 CG LYS A 53 108.686 -5.164 -21.466 1.00 0.00 C ATOM 843 CD LYS A 53 107.729 -5.344 -22.645 1.00 0.00 C ATOM 844 CE LYS A 53 108.515 -5.280 -23.957 1.00 0.00 C ATOM 845 NZ LYS A 53 107.584 -5.816 -24.989 1.00 0.00 N ATOM 0 H LYS A 53 107.091 -5.639 -17.870 1.00 0.00 H new ATOM 0 HA LYS A 53 109.804 -5.726 -19.079 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.553 -6.434 -20.132 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.072 -4.749 -20.088 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.103 -4.157 -21.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.523 -5.856 -21.555 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.213 -6.301 -22.565 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.965 -4.567 -22.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.815 -4.258 -24.188 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.427 -5.875 -23.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.045 -5.789 -25.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.335 -6.798 -24.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.721 -5.236 -25.013 1.00 0.00 H new ATOM 859 N ASP A 54 108.314 -2.893 -18.351 1.00 0.00 N ATOM 860 CA ASP A 54 108.541 -1.410 -18.343 1.00 0.00 C ATOM 861 C ASP A 54 107.796 -0.751 -17.179 1.00 0.00 C ATOM 862 O ASP A 54 106.716 -1.171 -16.810 1.00 0.00 O ATOM 863 CB ASP A 54 107.985 -0.909 -19.677 1.00 0.00 C ATOM 864 CG ASP A 54 108.887 -1.376 -20.821 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.091 -1.215 -20.704 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.359 -1.886 -21.795 1.00 0.00 O ATOM 0 H ASP A 54 107.429 -3.199 -17.946 1.00 0.00 H new ATOM 0 HA ASP A 54 109.596 -1.167 -18.219 1.00 0.00 H new ATOM 0 HB2 ASP A 54 106.972 -1.284 -19.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.924 0.179 -19.671 1.00 0.00 H new ATOM 871 N LEU A 55 108.369 0.282 -16.606 1.00 0.00 N ATOM 872 CA LEU A 55 107.736 0.948 -15.426 1.00 0.00 C ATOM 873 C LEU A 55 107.598 2.456 -15.665 1.00 0.00 C ATOM 874 O LEU A 55 108.448 3.075 -16.280 1.00 0.00 O ATOM 875 CB LEU A 55 108.698 0.697 -14.262 1.00 0.00 C ATOM 876 CG LEU A 55 108.594 -0.759 -13.805 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.918 -1.193 -13.173 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.473 -0.891 -12.770 1.00 0.00 C ATOM 0 H LEU A 55 109.252 0.693 -16.908 1.00 0.00 H new ATOM 0 HA LEU A 55 106.736 0.559 -15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.720 0.919 -14.569 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.462 1.365 -13.434 1.00 0.00 H new ATOM 0 HG LEU A 55 108.375 -1.392 -14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.843 -2.231 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.719 -1.100 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.137 -0.558 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.399 -1.929 -12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.694 -0.256 -11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.528 -0.582 -13.216 1.00 0.00 H new ATOM 890 N ARG A 56 106.532 3.047 -15.180 1.00 0.00 N ATOM 891 CA ARG A 56 106.418 4.538 -15.192 1.00 0.00 C ATOM 892 C ARG A 56 105.631 5.011 -13.961 1.00 0.00 C ATOM 893 O ARG A 56 104.882 4.254 -13.371 1.00 0.00 O ATOM 894 CB ARG A 56 105.681 4.879 -16.500 1.00 0.00 C ATOM 895 CG ARG A 56 104.217 4.412 -16.436 1.00 0.00 C ATOM 896 CD ARG A 56 103.739 3.983 -17.828 1.00 0.00 C ATOM 897 NE ARG A 56 103.809 5.216 -18.678 1.00 0.00 N ATOM 898 CZ ARG A 56 103.777 5.144 -19.995 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.677 3.993 -20.621 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.844 6.245 -20.693 1.00 0.00 N ATOM 0 H ARG A 56 105.734 2.558 -14.775 1.00 0.00 H new ATOM 0 HA ARG A 56 107.388 5.034 -15.150 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.718 5.954 -16.674 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.184 4.402 -17.342 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.123 3.580 -15.738 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.587 5.217 -16.059 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.371 3.192 -18.232 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.723 3.591 -17.790 1.00 0.00 H new ATOM 0 HE ARG A 56 103.883 6.129 -18.229 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.622 3.125 -20.087 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.654 3.967 -21.640 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.920 7.145 -20.219 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.820 6.205 -21.712 1.00 0.00 H new ATOM 914 N ILE A 57 105.798 6.251 -13.575 1.00 0.00 N ATOM 915 CA ILE A 57 105.008 6.798 -12.425 1.00 0.00 C ATOM 916 C ILE A 57 104.075 7.904 -12.931 1.00 0.00 C ATOM 917 O ILE A 57 104.496 8.809 -13.628 1.00 0.00 O ATOM 918 CB ILE A 57 106.042 7.359 -11.435 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.020 6.251 -11.014 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.319 7.886 -10.191 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.187 6.861 -10.229 1.00 0.00 C ATOM 0 H ILE A 57 106.447 6.910 -14.005 1.00 0.00 H new ATOM 0 HA ILE A 57 104.387 6.040 -11.948 1.00 0.00 H new ATOM 0 HB ILE A 57 106.595 8.166 -11.916 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.504 5.511 -10.401 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.395 5.730 -11.895 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.050 8.284 -9.487 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.626 8.676 -10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.767 7.073 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.878 6.072 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.709 7.584 -10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.805 7.362 -9.339 1.00 0.00 H new ATOM 933 N LEU A 58 102.812 7.835 -12.583 1.00 0.00 N ATOM 934 CA LEU A 58 101.819 8.803 -13.147 1.00 0.00 C ATOM 935 C LEU A 58 101.755 10.066 -12.267 1.00 0.00 C ATOM 936 O LEU A 58 101.452 9.967 -11.093 1.00 0.00 O ATOM 937 CB LEU A 58 100.470 8.072 -13.122 1.00 0.00 C ATOM 938 CG LEU A 58 100.545 6.787 -13.956 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.340 5.902 -13.637 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.540 7.132 -15.447 1.00 0.00 C ATOM 0 H LEU A 58 102.426 7.150 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 58 102.088 9.120 -14.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.198 7.831 -12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.689 8.723 -13.514 1.00 0.00 H new ATOM 0 HG LEU A 58 101.466 6.256 -13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.393 4.989 -14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.346 5.648 -12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.422 6.438 -13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.593 6.214 -16.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.623 7.667 -15.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.400 7.761 -15.678 1.00 0.00 H new